A0A060X042_ONCMY Loading...

Sphingolipid delta(4)-desaturase DES1

Has sphingolipid-delta-4-desaturase activity. Converts D-erythro-sphinganine to D-erythro-sphingosine (E-sphing-4-enine). Catalyzes the equilibrium isomerization of retinols.

AlphaFold DB , UniProt , Accession A0A060X042, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 323 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
1M50Low83.3Confident246 Ų24687.2 Ų87.2100%1.21245%0.445SS*.  0118.40-70.5175.6177.100106.5
2G61.2Low84.3Confident38 Ų3886.5 Ų86.539%0.39243%0.433SS..PPolyproline II helixtrans-74.8170.4-171.900000113.6
3N77.7Confident85.1Confident114 Ų11482.5 Ų82.561%0.6142%0.416SS*.PPolyproline II helixtrans-56.9146.3177.4-68-20.5000111.5
4R83Confident85.5Confident130 Ų13089.7 Ų89.749%0.49144%0.438SS..BIsolated β-bridgetrans-79.4136.6173.2-173.3176.4177.6-155.3-9.9109.3E8 C154 T155R4-E8 IonicContact NH2-OE1 2.82Å; R4-C154 WeakPolarHBondContact CA-O 2.98Å; R4-C154 HydrophobicContact CG-CB 4.29Å; R4-C154 PolarHBondContact NE-SG 3.08Å; R4-T155 HydrophobicContact CB-CG2 4.48Å
5V87Confident85.8Confident3 Ų390.2 Ų90.22%0.01845%0.448CS..PPolyproline II helixtrans-64.8129.8174175.70000108.7R7 C154 D304 L306V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 HydrophobicContact CG1-CB 4.11Å; V5-R7 PolarHBondContact O-N 3.05Å; V5-C154 HydrophobicContact CB-CB 4.38Å; V5-C154 VanDerWaalsContact CG2-O 3.31Å; V5-C154 WeakPolarHBondContact CG2-O 3.27Å; V5-C154 PolarHBondContact N-O 3.46Å; V5-D304 WeakPolarHBondContact CA-O 3.23Å; V5-D304 WeakPolarHBondContact CG1-O 3.37Å; V5-D304 WeakPolarHBondContact CG2-O 3.42Å; V5-L306 VanDerWaalsContact CG2-O 3.29Å; V5-L306 WeakPolarHBondContact CG2-O 3.49Å
6P86Confident86.1Confident105 Ų10591.7 Ų91.768%0.68246%0.458SS*.SBendtrans-78.8-10.8-174.930.6-35.1000114E8 D304P6-E8 PolarHBondContact O-N 3.48Å; P6-D304 VanDerWaalsContact CD-O 3.22Å; P6-D304 WeakPolarHBondContact CD-O 3.08Å
7R90.5Very high86.4Confident66 Ų6687.6 Ų87.625%0.24944%0.438CS..  trans-73.3120.6176.6-178.9179.8-74.7-90.31.3109.7V5 D9 E11 M235 Y309V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 HydrophobicContact CG1-CB 4.11Å; V5-R7 PolarHBondContact O-N 3.05Å; R7-D9 WeakPolarHBondContact CD-O 3.49Å; R7-D9 WeakPolarHBondContact CG-O 3.42Å; R7-D9 PolarHBondContact NH1-O 3.25Å; R7-E11 IonicContact NH1-OE2 3.35Å; R7-E11 PolarHBondContact NH1-OE2 3.34Å; R7-E11 IonicContact NH2-OE2 2.96Å; R7-M235 VanDerWaalsContact NH2-CE 3.3Å; R7-Y309 WeakPolarHBondContact CD-O 3.47Å; R7-Y309 WeakPolarHBondContact O-CD2 3.44Å
8E92.8Very high86.8Confident131 Ų13185.2 Ų85.261%0.61243%0.429SS*.  trans-111.3-4.2-178.6-57.3-167.6143.700113.7R4 P6 Y309R4-E8 IonicContact NH2-OE1 2.82Å; P6-E8 PolarHBondContact O-N 3.48Å; E8-Y309 WeakPolarHBondContact O-CE2 3.36Å; E8-Y309 VanDerWaalsContact O-CZ 3.24Å; E8-Y309 PolarHBondContact O-OH 3.07Å
9D95.6Very high87.3Confident74 Ų7480.7 Ų80.740%0.39641%0.407SS..SBendtrans-148.6164.4178.5-164.211.2000111.5R7 W12R7-D9 WeakPolarHBondContact CD-O 3.49Å; R7-D9 WeakPolarHBondContact CG-O 3.42Å; R7-D9 PolarHBondContact NH1-O 3.25Å; D9-W12 PolarHBondContact OD1-NE1 2.74Å; D9-W12 PolarHBondContact OD2-NE1 3.4Å; D9-W12 VanDerWaalsContact OD2-NE1 3.12Å
10Y96.3Very high87.6Confident9 Ų978.5 Ų78.54%0.03540%0.401CS..  trans-66.8162.9173.1-50.8-79.5000112.1W12 I144 P145 T146 E147 Y309 R311 K313Y10-W12 PolarHBondContact O-N 2.86Å; Y10-I144 HydrophobicContact CD1-CG2 4.12Å; Y10-I144 HydrophobicContact CE1-CG2 3.8Å; Y10-P145 PolarHBondContact OH-O 3.12Å; Y10-T146 PolarHBondContact OH-O 2.94Å; Y10-T146 VanDerWaalsContact OH-O 3.11Å; Y10-E147 HydrophobicContact CE2-CG 4.12Å; Y10-E147 WeakPolarHBondContact OH-CA 3.46Å; Y10-E147 PolarHBondContact OH-N 3.23Å; Y10-E147 VanDerWaalsContact OH-N 3.11Å; Y10-Y309 AromaticContact CD1-CD1 3.91Å; Y10-Y309 HydrophobicContact CD1-CD1 3.91Å; Y10-Y309 HydrophobicContact CD2-CD1 4.11Å; Y10-Y309 HydrophobicContact CD2-CE1 4.33Å; Y10-Y309 AromaticContact CE1-CD1 3.67Å; Y10-Y309 HydrophobicContact CE1-CD1 3.67Å; Y10-Y309 HydrophobicContact CE1-CE1 4.29Å; Y10-Y309 AromaticContact CE2-CD1 3.9Å; Y10-Y309 HydrophobicContact CE2-CD1 3.9Å; Y10-Y309 AromaticContact CE2-CE1 3.83Å; Y10-Y309 HydrophobicContact CE2-CE1 3.83Å; Y10-Y309 HydrophobicContact CG-CD1 4.12Å; Y10-Y309 AromaticContact CZ-CD1 3.65Å; Y10-Y309 AromaticContact CZ-CE1 3.78Å; Y10-R311 HydrophobicContact CD1-CB 4.21Å; Y10-K313 HydrophobicContact CD1-CD 3.84Å; Y10-K313 HydrophobicContact CD1-CG 4.14Å; Y10-K313 HydrophobicContact CD2-CD 3.24Å; Y10-K313 HydrophobicContact CD2-CG 4.2Å; Y10-K313 HydrophobicContact CE1-CD 4.25Å; Y10-K313 HydrophobicContact CE2-CD 3.71Å; Y10-K313 HydrophobicContact CG-CD 3.31Å; Y10-K313 HydrophobicContact CG-CG 3.77Å
11E96.1Very high88Confident43 Ų4379.4 Ų79.420%0.20141%0.407CS..EExtended strand (participates in β ladder)trans-82.3105.9168.9-167.478.3-168.600109.6R7 V13 M235 K238 R311 V312 K313R7-E11 IonicContact NH1-OE2 3.35Å; R7-E11 PolarHBondContact NH1-OE2 3.34Å; R7-E11 IonicContact NH2-OE2 2.96Å; E11-V13 HydrophobicContact CG-CG1 4.49Å; E11-M235 HydrophobicContact CB-CE 3.65Å; E11-M235 HydrophobicContact CB-SD 4.16Å; E11-M235 HydrophobicContact CG-CE 3.99Å; E11-M235 HydrophobicContact CG-SD 4.12Å; E11-K238 WeakPolarHBondContact OE1-CE 3.45Å; E11-K238 IonicContact OE1-NZ 3.22Å; E11-K238 PolarHBondContact OE1-NZ 2.88Å; E11-R311 PolarHBondContact N-O 2.82Å; E11-V312 HydrophobicContact CB-CG2 4.28Å; E11-V312 CarbonylContact O-C 3.48Å; E11-V312 WeakPolarHBondContact O-CA 3.42Å; E11-K313 PolarHBondContact O-N 3.32Å
12W96.1Very high90.3Very high79 Ų7969.5 Ų69.530%0.29936%0.356SS..EExtended strand (participates in β ladder)trans-82.3125.6177.1-69.894.1000111.7D9 Y10 D138 K313 R315D9-W12 PolarHBondContact OD1-NE1 2.74Å; D9-W12 PolarHBondContact OD2-NE1 3.4Å; D9-W12 VanDerWaalsContact OD2-NE1 3.12Å; Y10-W12 PolarHBondContact O-N 2.86Å; W12-D138 HydrophobicContact CH2-CB 4.08Å; W12-D138 HydrophobicContact CZ3-CB 4.09Å; W12-K313 WeakPolarHBondContact CA-O 3.47Å; W12-K313 HydrophobicContact CD2-CB 4.06Å; W12-K313 HydrophobicContact CE3-CB 3.81Å; W12-K313 HydrophobicContact CH2-CB 4.12Å; W12-K313 HydrophobicContact CH2-CD 4.25Å; W12-K313 HydrophobicContact CZ2-CB 4.33Å; W12-K313 HydrophobicContact CZ2-CD 4.17Å; W12-K313 HydrophobicContact CZ3-CB 3.84Å; W12-R315 HydrophobicContact CZ3-CG 4.1Å
13V94.8Very high92Very high35 Ų3571.4 Ų71.421%0.21235%0.351CS..EExtended strand (participates in β ladder)trans-121.4153.5176.5-570000111.7E11 V312 K313 R314E11-V13 HydrophobicContact CG-CG1 4.49Å; V13-V312 HydrophobicContact CB-CG1 4.29Å; V13-V312 HydrophobicContact CG1-CG1 3.87Å; V13-V312 HydrophobicContact CG2-CG1 3.45Å; V13-V312 VanDerWaalsContact CG2-CG1 3.45Å; V13-K313 PolarHBondContact N-O 3.38Å; V13-R314 HydrophobicContact CG2-CB 4.01Å
14Y90.6Very high93Very high183 Ų18373 Ų7372%0.71835%0.353SS*.  trans-111.24.4-179.6-58.7-80.1000113.5K317Y14-K317 PolarHBondContact O-NZ 3.02Å
15T90.2Very high93.7Very high97 Ų9770.9 Ų70.960%0.59535%0.351SS*.SBendtrans-93155173.856.10000110.9R314T15-R314 PolarHBondContact O-NE 3.01Å
16D89.3Confident94.3Very high114 Ų11470.7 Ų70.761%0.6135%0.35SS*.PPolyproline II helixtrans-70.3169171.7-65.2-34.4000111
17Q91Very high94.8Very high23 Ų2367.4 Ų67.411%0.10733%0.327CS..PPolyproline II helixtrans-66.5141.7176.958.2148.7-2600111.5H19 H132 R133 L135Q17-H19 PolarHBondContact O-N 3.08Å; Q17-H19 PolarHBondContact OE1-CD2 2.84Å; Q17-H19 VanDerWaalsContact OE1-CD2 3.29Å; Q17-H132 PolarHBondContact NE2-O 3.33Å; Q17-R133 PolarHBondContact NE2-O 2.92Å; Q17-R133 VanDerWaalsContact NE2-O 3.08Å; Q17-L135 HydrophobicContact CB-CB 4.21Å; Q17-L135 HydrophobicContact CB-CD2 4.47Å
18P93.9Very high95.2Very high44 Ų4468.3 Ų68.329%0.28635%0.348SS..Hα-helixtrans-69.1-21.4-170.927-36.5000113.7A20 R22 E241P18-A20 PolarHBondContact O-N 3.08Å; P18-R22 WeakPolarHBondContact O-CB 3.16Å; P18-R22 PolarHBondContact O-N 3.24Å; P18-E241 WeakPolarHBondContact CD-OE1 3.35Å; P18-E241 HydrophobicContact CG-CG 4.39Å
19H97.1Very high95.5Very high0 Ų067.6 Ų67.60%034%0.343CS..Hα-helixtrans-69.6-33.3-170.3-61.4-66.7000114Q17 R22 R23 T242 H263 D264Q17-H19 PolarHBondContact O-N 3.08Å; Q17-H19 PolarHBondContact OE1-CD2 2.84Å; Q17-H19 VanDerWaalsContact OE1-CD2 3.29Å; H19-R22 PolarHBondContact CE1-NH2 3.38Å; H19-R22 VanDerWaalsContact CE1-NH2 3.26Å; H19-R22 PolarHBondContact ND1-NH2 3.37Å; H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 3.44Å; H19-T242 PolarHBondContact NE2-OG1 3.1Å; H19-H263 HydrophobicContact CB-CB 4.3Å; H19-H263 AromaticContact CD2-ND1 3.9Å; H19-H263 WeakPolarHBondContact CE1-CB 3.48Å; H19-H263 VanDerWaalsContact ND1-CB 3.29Å; H19-H263 WeakPolarHBondContact ND1-CB 3.43Å; H19-H263 AromaticContact NE2-CG 3.83Å; H19-H263 AromaticContact NE2-ND1 3.93Å; H19-D264 VanDerWaalsContact CA-OD1 3.28Å; H19-D264 WeakPolarHBondContact CA-OD1 3.2Å; H19-D264 WeakPolarHBondContact CB-OD1 3.43Å; H19-D264 IonicContact CE1-OD1 3.91Å; H19-D264 IonicContact CG-OD1 3.91Å; H19-D264 IonicContact ND1-OD1 3.45Å; H19-D264 PolarHBondContact ND1-OD1 3.48Å
20A93.9Very high95.6Very high36 Ų3666.2 Ų66.230%0.29833%0.333SS..Hα-helixtrans-68.6-45.9-178.400000111.7P18 K24P18-A20 PolarHBondContact O-N 3.08Å; A20-K24 PolarHBondContact O-N 3.05Å; A20-K24 VanDerWaalsContact O-N 3.14Å
21D95.4Very high95.7Very high98 Ų9869 Ų6952%0.52435%0.352SS..Hα-helixtrans-69.2-46.4178.3-68.5-27.8000110.8R23 K24 D25D21-R23 PolarHBondContact O-N 2.82Å; D21-K24 WeakPolarHBondContact O-CB 3.47Å; D21-K24 PolarHBondContact O-N 3.03Å; D21-D25 PolarHBondContact O-N 2.87Å
22R97.4Very high95.8Very high37 Ų3771.1 Ų71.114%0.1436%0.362CS..Hα-helixtrans-60.9-42.3177.6-170.9163.962.1-129.21.9112.5P18 H19 K24 D25 I26 N260 D264 Y283P18-R22 WeakPolarHBondContact O-CB 3.16Å; P18-R22 PolarHBondContact O-N 3.24Å; H19-R22 PolarHBondContact CE1-NH2 3.38Å; H19-R22 VanDerWaalsContact CE1-NH2 3.26Å; H19-R22 PolarHBondContact ND1-NH2 3.37Å; R22-K24 VanDerWaalsContact C-N 3.33Å; R22-K24 PolarHBondContact O-N 3.18Å; R22-D25 PolarHBondContact O-N 3.43Å; R22-I26 HydrophobicContact CG-CD1 3.74Å; R22-I26 HydrophobicContact CG-CG1 4.3Å; R22-I26 WeakPolarHBondContact O-CB 3.38Å; R22-I26 VanDerWaalsContact O-CG1 3.23Å; R22-I26 WeakPolarHBondContact O-CG1 3.18Å; R22-I26 PolarHBondContact O-N 2.8Å; R22-N260 PolarHBondContact NH2-OD1 2.78Å; R22-N260 VanDerWaalsContact NH2-OD1 3.08Å; R22-D264 IonicContact CZ-OD1 3.2Å; R22-D264 IonicContact CZ-OD2 2.7Å; R22-D264 IonicContact NE-OD1 2.71Å; R22-D264 PolarHBondContact NE-OD1 2.84Å; R22-D264 IonicContact NE-OD2 3.98Å; R22-D264 PolarHBondContact NE-OD2 3.4Å; R22-D264 IonicContact NH2-OD1 2.82Å; R22-D264 PolarHBondContact NH2-OD1 3.12Å; R22-D264 IonicContact NH2-OD2 3.98Å; R22-D264 PolarHBondContact NH2-OD2 3.44Å; R22-Y283 HydrophobicContact CG-CD1 3.92Å
23R97.9Very high95.9Very high79 Ų7967.4 Ų67.430%0.29835%0.348SS..Hα-helixtrans-56.2-46.6171.7174-177.947.8-101.71.4111.4H19 D21 L27 D264 F265H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 3.44Å; D21-R23 PolarHBondContact O-N 2.82Å; R23-L27 HydrophobicContact CG-CD1 3.89Å; R23-L27 HydrophobicContact CG-CG 4.36Å; R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 VanDerWaalsContact O-CG 3.28Å; R23-L27 WeakPolarHBondContact O-CG 3.22Å; R23-L27 PolarHBondContact O-N 3.45Å; R23-D264 HydrophobicContact CB-CB 4.49Å; R23-D264 WeakPolarHBondContact CB-O 3.29Å; R23-D264 WeakPolarHBondContact CD-O 3.39Å; R23-D264 WeakPolarHBondContact CG-O 3.18Å; R23-D264 PolarHBondContact NH1-O 3.5Å; R23-F265 HydrophobicContact CB-CE1 4.42Å; R23-F265 HydrophobicContact CB-CZ 4.45Å; R23-F265 HydrophobicContact CG-CD1 4.07Å; R23-F265 HydrophobicContact CG-CE1 3.64Å; R23-F265 HydrophobicContact CG-CZ 4.13Å
24K97.8Very high96Very high146 Ų14671.4 Ų71.464%0.63536%0.362SS*.Hα-helixtrans-61.1-47-178.2179.7-172.1172.8-168.80110.8A20 D21 R22 L27 A28A20-K24 PolarHBondContact O-N 3.05Å; A20-K24 VanDerWaalsContact O-N 3.14Å; D21-K24 WeakPolarHBondContact O-CB 3.47Å; D21-K24 PolarHBondContact O-N 3.03Å; R22-K24 VanDerWaalsContact C-N 3.33Å; R22-K24 PolarHBondContact O-N 3.18Å; K24-L27 PolarHBondContact O-N 3.02Å; K24-A28 PolarHBondContact O-N 3.09Å
25D98.3Very high96.4Very high86 Ų8667.9 Ų67.946%0.4636%0.36SS..Hα-helixtrans-66.1-45.8-179-68.2-10.9000111.5D21 R22 L27 A28 K29 Y283D21-D25 PolarHBondContact O-N 2.87Å; R22-D25 PolarHBondContact O-N 3.43Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.13Å; D25-A28 WeakPolarHBondContact O-CB 3.34Å; D25-A28 PolarHBondContact O-N 2.72Å; D25-K29 PolarHBondContact O-N 2.87Å; D25-K29 VanDerWaalsContact O-N 3.11Å; D25-Y283 HydrophobicContact CB-CE1 4.17Å
26I98.5Very high96.7Very high0 Ų064.1 Ų64.10%034%0.336CS..Hα-helixtrans-59.2-44.3175.7-70.6171.8000110.8R22 A28 K29 Y30 I33 F265 A280 Y283 Y284R22-I26 HydrophobicContact CG-CD1 3.74Å; R22-I26 HydrophobicContact CG-CG1 4.3Å; R22-I26 WeakPolarHBondContact O-CB 3.38Å; R22-I26 VanDerWaalsContact O-CG1 3.23Å; R22-I26 WeakPolarHBondContact O-CG1 3.18Å; R22-I26 PolarHBondContact O-N 2.8Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.25Å; I26-K29 PolarHBondContact O-N 3.19Å; I26-Y30 HydrophobicContact CG2-CD2 4.38Å; I26-Y30 WeakPolarHBondContact O-CA 3.41Å; I26-Y30 PolarHBondContact O-N 2.82Å; I26-I33 HydrophobicContact CG2-CD1 3.31Å; I26-F265 HydrophobicContact CB-CE2 4.42Å; I26-F265 HydrophobicContact CB-CZ 3.9Å; I26-F265 HydrophobicContact CD1-CE2 4.03Å; I26-F265 HydrophobicContact CD1-CZ 4.35Å; I26-F265 HydrophobicContact CG2-CE2 3.96Å; I26-F265 HydrophobicContact CG2-CZ 3.51Å; I26-A280 HydrophobicContact CD1-CB 4.28Å; I26-A280 HydrophobicContact CG1-CB 4.28Å; I26-A280 HydrophobicContact CG2-CB 3.89Å; I26-Y283 HydrophobicContact CD1-CD1 4.09Å; I26-Y283 HydrophobicContact CD1-CD2 4.18Å; I26-Y283 HydrophobicContact CD1-CG 3.8Å; I26-Y283 HydrophobicContact CG1-CD1 3.67Å; I26-Y283 HydrophobicContact CG1-CD2 3.62Å; I26-Y283 HydrophobicContact CG1-CE1 3.8Å; I26-Y283 HydrophobicContact CG1-CE2 3.76Å; I26-Y283 HydrophobicContact CG1-CG 3.57Å; I26-Y284 HydrophobicContact CD1-CE2 4.21Å; I26-Y284 WeakPolarHBondContact CD1-OH 3.09Å
27L98.4Very high97.1Very high36 Ų3661.6 Ų61.619%0.18832%0.321CS..Hα-helixtrans-69.6-25.7180-74.1178.1000113.9R23 K24 D25 I33 K34 M37 F265R23-L27 HydrophobicContact CG-CD1 3.89Å; R23-L27 HydrophobicContact CG-CG 4.36Å; R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 VanDerWaalsContact O-CG 3.28Å; R23-L27 WeakPolarHBondContact O-CG 3.22Å; R23-L27 PolarHBondContact O-N 3.45Å; K24-L27 PolarHBondContact O-N 3.02Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.13Å; L27-I33 HydrophobicContact CD2-CB 4.3Å; L27-I33 HydrophobicContact CD2-CG2 4.21Å; L27-K34 HydrophobicContact CD2-CG 3.77Å; L27-M37 HydrophobicContact CD2-CE 4.43Å; L27-F265 HydrophobicContact CD1-CE1 4.19Å; L27-F265 HydrophobicContact CD2-CE1 3.76Å; L27-F265 HydrophobicContact CD2-CZ 4.45Å; L27-F265 HydrophobicContact CG-CE1 3.75Å; L27-F265 HydrophobicContact CG-CZ 4.33Å
28A98.4Very high97.3Very high85 Ų8561.8 Ų61.870%0.70233%0.329SS*.Hα-helixtrans-71.2-38.4173.300000111.1K24 D25 I26K24-A28 PolarHBondContact O-N 3.09Å; D25-A28 WeakPolarHBondContact O-CB 3.34Å; D25-A28 PolarHBondContact O-N 2.72Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.25Å
29K98.6Very high97.4Very high115 Ų11562.5 Ų62.550%0.533%0.334SS..Hα-helixtrans-83.6-40.1-179.1-167174.8-179.1-173.40113.6D25 I26 P31 E282 Y283D25-K29 PolarHBondContact O-N 2.87Å; D25-K29 VanDerWaalsContact O-N 3.11Å; I26-K29 PolarHBondContact O-N 3.19Å; K29-P31 WeakPolarHBondContact O-CD 3.37Å; K29-E282 WeakPolarHBondContact CE-OE1 3.3Å; K29-E282 IonicContact NZ-OE1 2.79Å; K29-E282 PolarHBondContact NZ-OE1 2.7Å; K29-Y283 HydrophobicContact CD-CE2 4.32Å
30Y98.4Very high97.4Very high46 Ų4663 Ų6318%0.1834%0.337CS..  trans-126.168.1-174.4-56.8-63.6000111.6I26 E32 I33 I279 A280 E282 Y283I26-Y30 HydrophobicContact CG2-CD2 4.38Å; I26-Y30 WeakPolarHBondContact O-CA 3.41Å; I26-Y30 PolarHBondContact O-N 2.82Å; Y30-E32 VanDerWaalsContact CA-OE2 3.24Å; Y30-E32 WeakPolarHBondContact CA-OE2 3.16Å; Y30-E32 PolarHBondContact O-N 3.12Å; Y30-E32 VanDerWaalsContact O-N 3.11Å; Y30-I33 PolarHBondContact O-N 3.29Å; Y30-I33 VanDerWaalsContact O-N 3.14Å; Y30-I279 HydrophobicContact CD1-CG2 3.95Å; Y30-I279 HydrophobicContact CD2-CG2 4.41Å; Y30-I279 HydrophobicContact CG-CG2 3.81Å; Y30-A280 HydrophobicContact CD2-CB 3.81Å; Y30-A280 HydrophobicContact CE2-CB 3.97Å; Y30-E282 WeakPolarHBondContact CE2-OE1 3.46Å; Y30-E282 VanDerWaalsContact CZ-OE1 3.29Å; Y30-E282 PolarHBondContact OH-OE1 3.33Å; Y30-E282 PolarHBondContact OH-OE2 2.86Å; Y30-Y283 HydrophobicContact CE2-CE2 4.06Å
31P97.9Very high97.4Very high68 Ų6865.1 Ų65.144%0.44235%0.347SS..G310 helixtrans-59.9-22.2-178.625.8-35.3000113.5K29 I33 K34K29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-I33 PolarHBondContact O-N 3.17Å; P31-K34 WeakPolarHBondContact O-CB 3.25Å; P31-K34 WeakPolarHBondContact O-CG 3.3Å; P31-K34 PolarHBondContact O-N 3.37Å; P31-K34 VanDerWaalsContact O-N 3.13Å
32E97.9Very high97.4Very high87 Ų8767 Ų6741%0.40735%0.347SS..G310 helixtrans-60.1-22.317666.4-88.8-151.300113.6Y30 K34 T35 I279Y30-E32 VanDerWaalsContact CA-OE2 3.24Å; Y30-E32 WeakPolarHBondContact CA-OE2 3.16Å; Y30-E32 PolarHBondContact O-N 3.12Å; Y30-E32 VanDerWaalsContact O-N 3.11Å; E32-K34 PolarHBondContact O-N 2.6Å; E32-K34 VanDerWaalsContact O-N 3.13Å; E32-T35 WeakPolarHBondContact O-CB 3.29Å; E32-T35 WeakPolarHBondContact O-CG2 3.31Å; E32-T35 PolarHBondContact O-N 2.99Å; E32-T35 PolarHBondContact O-OG1 3.3Å; E32-I279 HydrophobicContact CG-CD1 4.49Å; E32-I279 HydrophobicContact CG-CG2 4.37Å
33I98.3Very high97.5Very high0 Ų065.4 Ų65.40%034%0.342CS..G310 helixtrans-58-28.1174.4-76.3172.5000111.5I26 L27 Y30 P31 T35 L36 F265 I268 V276 I279 A280I26-I33 HydrophobicContact CG2-CD1 3.31Å; L27-I33 HydrophobicContact CD2-CB 4.3Å; L27-I33 HydrophobicContact CD2-CG2 4.21Å; Y30-I33 PolarHBondContact O-N 3.29Å; Y30-I33 VanDerWaalsContact O-N 3.14Å; P31-I33 PolarHBondContact O-N 3.17Å; I33-T35 PolarHBondContact O-N 3.46Å; I33-T35 VanDerWaalsContact O-N 3.16Å; I33-L36 VanDerWaalsContact O-CB 3.3Å; I33-L36 WeakPolarHBondContact O-CB 3.12Å; I33-L36 PolarHBondContact O-N 3.15Å; I33-F265 HydrophobicContact CG2-CD1 3.94Å; I33-F265 HydrophobicContact CG2-CE1 3.71Å; I33-F265 HydrophobicContact CG2-CE2 4.39Å; I33-F265 HydrophobicContact CG2-CG 4.35Å; I33-F265 HydrophobicContact CG2-CZ 3.97Å; I33-I268 HydrophobicContact CG2-CD1 3.72Å; I33-V276 HydrophobicContact CD1-CG1 4.45Å; I33-I279 HydrophobicContact CD1-CB 4.41Å; I33-I279 HydrophobicContact CD1-CG2 3.99Å; I33-I279 HydrophobicContact CG1-CB 4.37Å; I33-I279 HydrophobicContact CG1-CD1 4.22Å; I33-I279 HydrophobicContact CG1-CG2 3.95Å; I33-A280 HydrophobicContact CD1-CB 4.17Å
34K97.6Very high97.4Very high120 Ų12064.6 Ų64.652%0.52234%0.34SS..G310 helixtrans-59.2-27.7174.8-64.9179.6-178.7172.80112.8L27 P31 E32 L36 M37L27-K34 HydrophobicContact CD2-CG 3.77Å; P31-K34 WeakPolarHBondContact O-CB 3.25Å; P31-K34 WeakPolarHBondContact O-CG 3.3Å; P31-K34 PolarHBondContact O-N 3.37Å; P31-K34 VanDerWaalsContact O-N 3.13Å; E32-K34 PolarHBondContact O-N 2.6Å; E32-K34 VanDerWaalsContact O-N 3.13Å; K34-L36 PolarHBondContact O-N 2.85Å; K34-M37 WeakPolarHBondContact O-CB 3.11Å; K34-M37 PolarHBondContact O-N 2.7Å
35T97.6Very high97.4Very high109 Ų10966 Ų6667%0.66934%0.341SS*.G310 helixtrans-69-19.517770.10000112.8E32 I33E32-T35 WeakPolarHBondContact O-CB 3.29Å; E32-T35 WeakPolarHBondContact O-CG2 3.31Å; E32-T35 PolarHBondContact O-N 2.99Å; E32-T35 PolarHBondContact O-OG1 3.3Å; I33-T35 PolarHBondContact O-N 3.46Å; I33-T35 VanDerWaalsContact O-N 3.16Å
36L97.9Very high97.4Very high18 Ų1865 Ų659%0.09434%0.336CS..G310 helixtrans-81.4-17.9176.5-55.9-179.3000112.3I33 K34 I268 R272 L275 V276 I279I33-L36 VanDerWaalsContact O-CB 3.3Å; I33-L36 WeakPolarHBondContact O-CB 3.12Å; I33-L36 PolarHBondContact O-N 3.15Å; K34-L36 PolarHBondContact O-N 2.85Å; L36-I268 HydrophobicContact CB-CD1 3.89Å; L36-I268 HydrophobicContact CB-CG1 4.2Å; L36-I268 HydrophobicContact CB-CG2 4.11Å; L36-R272 HydrophobicContact CB-CB 4.5Å; L36-R272 VanDerWaalsContact O-CD 3.27Å; L36-R272 WeakPolarHBondContact O-CD 3.4Å; L36-R272 PolarHBondContact O-NH1 3.44Å; L36-L275 HydrophobicContact CD1-CB 3.94Å; L36-L275 HydrophobicContact CD2-CD1 4.03Å; L36-V276 HydrophobicContact CD1-CG2 3.89Å; L36-I279 HydrophobicContact CD1-CD1 4.1Å
37M97.2Very high97.4Very high60 Ų6065 Ų6530%0.29634%0.336SS..  trans-71.3142.7178.8-60.6179.6176.200111.4L27 K34 F265 S267 I268L27-M37 HydrophobicContact CD2-CE 4.43Å; K34-M37 WeakPolarHBondContact O-CB 3.11Å; K34-M37 PolarHBondContact O-N 2.7Å; M37-F265 HydrophobicContact CE-CD1 3.7Å; M37-F265 HydrophobicContact CE-CE1 4.25Å; M37-S267 WeakPolarHBondContact CG-OG 3.41Å; M37-S267 PolarHBondContact SD-OG 3.27Å; M37-I268 HydrophobicContact CB-CG1 4.42Å; M37-I268 HydrophobicContact CG-CD1 4.26Å; M37-I268 HydrophobicContact CG-CG1 3.69Å
38G94.5Very high97.4Very high27 Ų2765 Ų6528%0.27834%0.338SS..SBendtrans124.1-171.6176.100000113.3S267 P269G38-S267 PolarHBondContact N-O 3.45Å; G38-S267 VanDerWaalsContact N-O 3.16Å; G38-P269 WeakPolarHBondContact O-CD 3.43Å
39P96.7Very high97.5Very high60 Ų6065.9 Ų65.939%0.3933%0.329SS..  trans-72.8148.8-171.528.3-33.7000113.3P41 T95P39-P41 WeakPolarHBondContact O-CD 3.5Å; P39-T95 CarbonylContact C-O 3.57Å; P39-T95 WeakPolarHBondContact CA-O 3.32Å; P39-T95 WeakPolarHBondContact CB-O 3.44Å
40D96.8Very high97.4Very high11 Ų1161.2 Ų61.26%0.05931%0.309CS..  trans-96.1107.1162.5-174.1-3000110R42 L43 T95 P269 R271D40-R42 PolarHBondContact O-N 3Å; D40-R42 VanDerWaalsContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.42Å; D40-R42 PolarHBondContact OD1-N 2.93Å; D40-L43 HydrophobicContact CB-CB 4.24Å; D40-L43 WeakPolarHBondContact O-CB 3.38Å; D40-L43 PolarHBondContact O-N 2.89Å; D40-T95 PolarHBondContact N-O 2.9Å; D40-P269 HydrophobicContact CB-CB 3.84Å; D40-P269 HydrophobicContact CB-CG 4.06Å; D40-R271 IonicContact OD1-NH1 2.68Å; D40-R271 WeakPolarHBondContact OD2-CD 3.48Å
41P93.8Very high97.4Very high79 Ų7959 Ų5951%0.51330%0.301SS..THydrogen-bonded Turntrans-63.9-15.9-179.226.5-34.6000113.8P39 K44P39-P41 WeakPolarHBondContact O-CD 3.5Å; P41-K44 WeakPolarHBondContact O-CE 3.36Å
42R96.6Very high97.5Very high138 Ų13861.1 Ų61.152%0.52131%0.308SS..THydrogen-bonded Turntrans-82-28.8178.2-59.9-173.6-178.2-176.7-0.8113D40 K44 W45 I46 R271D40-R42 PolarHBondContact O-N 3Å; D40-R42 VanDerWaalsContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.42Å; D40-R42 PolarHBondContact OD1-N 2.93Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 3.47Å; R42-W45 PolarHBondContact O-N 3.08Å; R42-I46 HydrophobicContact CB-CD1 4.35Å; R42-I46 PolarHBondContact O-N 3.33Å; R42-I46 VanDerWaalsContact O-N 3.1Å; R42-R271 VanDerWaalsContact CZ-CZ 3.48Å; R42-R271 VanDerWaalsContact CZ-NH2 3.33Å; R42-R271 VanDerWaalsContact NH1-CZ 3.3Å; R42-R271 VanDerWaalsContact NH1-NH2 3.15Å
43L97.6Very high97.5Very high4 Ų460 Ų602%0.02130%0.304CS..Hα-helixtrans-54.3-46.9-172.3178.859.5000111.6D40 W45 I46 V47 E90 I91 T95 A96 F254D40-L43 HydrophobicContact CB-CB 4.24Å; D40-L43 WeakPolarHBondContact O-CB 3.38Å; D40-L43 PolarHBondContact O-N 2.89Å; L43-W45 VanDerWaalsContact C-N 3.27Å; L43-W45 PolarHBondContact O-N 3.42Å; L43-I46 PolarHBondContact O-N 3.48Å; L43-V47 HydrophobicContact CD1-CG2 3.99Å; L43-V47 HydrophobicContact CG-CG2 4.42Å; L43-V47 WeakPolarHBondContact O-CB 3.48Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.49Å; L43-E90 HydrophobicContact CD1-CB 4.42Å; L43-E90 HydrophobicContact CD2-CB 3.81Å; L43-I91 HydrophobicContact CD2-CG1 4.21Å; L43-T95 WeakPolarHBondContact CD2-OG1 3.48Å; L43-A96 HydrophobicContact CD2-CB 4.01Å; L43-A96 HydrophobicContact CG-CB 4.43Å; L43-F254 HydrophobicContact CD1-CD1 3.92Å; L43-F254 HydrophobicContact CD1-CE1 3.72Å
44K97.6Very high97.5Very high62 Ų6260 Ų6027%0.2730%0.304SS..Hα-helixtrans-58.7-36.5178.968.8-170.3177.8-171.50113.5P41 R42 C48 F97 F108P41-K44 WeakPolarHBondContact O-CE 3.36Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 3.47Å; K44-C48 WeakPolarHBondContact O-CB 3.44Å; K44-C48 PolarHBondContact O-N 3.39Å; K44-C48 PolarHBondContact O-SG 2.89Å; K44-F97 HydrophobicContact CB-CZ 4.25Å; K44-F97 HydrophobicContact CD-CE1 4.01Å; K44-F97 HydrophobicContact CD-CZ 4.31Å; K44-F108 HydrophobicContact CB-CE1 4.05Å; K44-F108 HydrophobicContact CB-CE2 4.43Å; K44-F108 HydrophobicContact CB-CZ 3.83Å; K44-F108 WeakPolarHBondContact O-CZ 3.07Å
45W98.1Very high97.5Very high174 Ų17457.7 Ų57.766%0.65929%0.294SS*.Hα-helixtrans-75.6-40.1-179-61.2120.2000111.8R42 L43 V47 C48 M49R42-W45 PolarHBondContact O-N 3.08Å; L43-W45 VanDerWaalsContact C-N 3.27Å; L43-W45 PolarHBondContact O-N 3.42Å; W45-V47 VanDerWaalsContact C-N 3.34Å; W45-C48 PolarHBondContact O-N 2.86Å; W45-M49 WeakPolarHBondContact O-CB 3.28Å; W45-M49 PolarHBondContact O-N 3.44Å
46I98Very high97.5Very high66 Ų6657.4 Ų57.434%0.33829%0.287SS..Hα-helixtrans-61.1-46.8174.8-63.7168.9000109.8R42 L43 M49 M50 F254R42-I46 HydrophobicContact CB-CD1 4.35Å; R42-I46 PolarHBondContact O-N 3.33Å; R42-I46 VanDerWaalsContact O-N 3.1Å; L43-I46 PolarHBondContact O-N 3.48Å; I46-M49 WeakPolarHBondContact O-CB 3.31Å; I46-M49 PolarHBondContact O-N 3.24Å; I46-M50 HydrophobicContact CG2-SD 3.92Å; I46-M50 WeakPolarHBondContact O-CG 3.23Å; I46-M50 PolarHBondContact O-N 3.02Å; I46-F254 HydrophobicContact CG2-CE1 3.87Å; I46-F254 HydrophobicContact CG2-CZ 4.08Å
47V98.5Very high97.6Very high0 Ų056.9 Ų56.90%029%0.286CS..Hα-helixtrans-63.8-45.7178.5171.10000111.7L43 W45 M49 M50 V51 M84 A87 I91 F108 A112L43-V47 HydrophobicContact CD1-CG2 3.99Å; L43-V47 HydrophobicContact CG-CG2 4.42Å; L43-V47 WeakPolarHBondContact O-CB 3.48Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.49Å; W45-V47 VanDerWaalsContact C-N 3.34Å; V47-M49 VanDerWaalsContact C-N 3.3Å; V47-M49 PolarHBondContact O-N 3.28Å; V47-M50 PolarHBondContact O-N 3.42Å; V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 2.96Å; V47-M84 HydrophobicContact CG1-CE 4.07Å; V47-A87 HydrophobicContact CG2-CB 3.68Å; V47-I91 HydrophobicContact CG1-CD1 4.46Å; V47-I91 HydrophobicContact CG2-CD1 4.4Å; V47-F108 HydrophobicContact CB-CE1 3.81Å; V47-F108 HydrophobicContact CB-CZ 3.66Å; V47-F108 HydrophobicContact CG1-CE1 3.65Å; V47-F108 HydrophobicContact CG1-CE2 4.4Å; V47-F108 HydrophobicContact CG1-CZ 3.49Å; V47-F108 VanDerWaalsContact CG1-CZ 3.49Å; V47-F108 HydrophobicContact CG2-CE1 4.28Å; V47-A112 HydrophobicContact CG1-CB 3.67Å
48C98.6Very high97.6Very high36 Ų3654.1 Ų54.124%0.24327%0.272CS..Hα-helixtrans-57.6-44.2174.1-73.60000111.9K44 W45 M50 V51 L52K44-C48 WeakPolarHBondContact O-CB 3.44Å; K44-C48 PolarHBondContact O-N 3.39Å; K44-C48 PolarHBondContact O-SG 2.89Å; W45-C48 PolarHBondContact O-N 2.86Å; C48-M50 PolarHBondContact O-N 3.31Å; C48-V51 PolarHBondContact O-N 3.11Å; C48-L52 VanDerWaalsContact O-CG 3.27Å; C48-L52 WeakPolarHBondContact O-CG 3.42Å; C48-L52 PolarHBondContact O-N 3.17Å
49M98.5Very high97.8Very high104 Ų10458.3 Ų58.351%0.51228%0.281SS..Hα-helixtrans-60.7-45.6177-177.5-167.373.800111.5W45 I46 V47 V51 L52 I53W45-M49 WeakPolarHBondContact O-CB 3.28Å; W45-M49 PolarHBondContact O-N 3.44Å; I46-M49 WeakPolarHBondContact O-CB 3.31Å; I46-M49 PolarHBondContact O-N 3.24Å; V47-M49 VanDerWaalsContact C-N 3.3Å; V47-M49 PolarHBondContact O-N 3.28Å; M49-V51 PolarHBondContact O-N 2.82Å; M49-L52 PolarHBondContact O-N 2.92Å; M49-I53 HydrophobicContact CE-CD1 4.22Å; M49-I53 HydrophobicContact CG-CD1 3.9Å; M49-I53 VanDerWaalsContact O-CG1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.46Å; M49-I53 PolarHBondContact O-N 3.2Å; M49-I53 HydrophobicContact SD-CD1 4.46Å
50M98.4Very high97.8Very high17 Ų1760 Ų608%0.08429%0.286CS..Hα-helixtrans-63.8-39.6178.6-69.8169.868.500112.8I46 V47 C48 I53 Q54 I80 S83 M84 F254I46-M50 HydrophobicContact CG2-SD 3.92Å; I46-M50 WeakPolarHBondContact O-CG 3.23Å; I46-M50 PolarHBondContact O-N 3.02Å; V47-M50 PolarHBondContact O-N 3.42Å; C48-M50 PolarHBondContact O-N 3.31Å; M50-I53 PolarHBondContact O-N 3.29Å; M50-Q54 PolarHBondContact O-N 3.19Å; M50-I80 HydrophobicContact CE-CG2 4.14Å; M50-S83 WeakPolarHBondContact CE-OG 3.45Å; M50-M84 HydrophobicContact CB-SD 3.54Å; M50-M84 VanDerWaalsContact CB-SD 3.54Å; M50-M84 HydrophobicContact CE-CG 3.87Å; M50-M84 HydrophobicContact CE-SD 3.58Å; M50-M84 VanDerWaalsContact CE-SD 3.58Å; M50-M84 HydrophobicContact CG-SD 4.43Å; M50-M84 HydrophobicContact SD-SD 4.1Å; M50-F254 HydrophobicContact SD-CE2 4.5Å; M50-F254 HydrophobicContact SD-CZ 3.88Å
51V98.6Very high97.9Very high0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-62.6-45.1174174.10000110.8V47 C48 M49 I53 Q54 F55 M84 F111 P115V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 2.96Å; C48-V51 PolarHBondContact O-N 3.11Å; M49-V51 PolarHBondContact O-N 2.82Å; V51-I53 PolarHBondContact O-N 3.36Å; V51-Q54 PolarHBondContact O-N 3.45Å; V51-F55 HydrophobicContact CG1-CD1 4.12Å; V51-F55 HydrophobicContact CG1-CE1 3.65Å; V51-F55 HydrophobicContact CG1-CE2 4.26Å; V51-F55 HydrophobicContact CG1-CZ 3.73Å; V51-F55 VanDerWaalsContact O-CD1 3.29Å; V51-F55 WeakPolarHBondContact O-CD1 3.39Å; V51-F55 WeakPolarHBondContact O-CG 3.27Å; V51-F55 PolarHBondContact O-N 2.86Å; V51-M84 HydrophobicContact CG2-CE 3.59Å; V51-M84 HydrophobicContact CG2-SD 4.46Å; V51-F111 HydrophobicContact CB-CE1 3.98Å; V51-F111 HydrophobicContact CB-CZ 3.83Å; V51-F111 HydrophobicContact CG1-CE1 4.12Å; V51-F111 HydrophobicContact CG1-CE2 3.89Å; V51-F111 HydrophobicContact CG1-CZ 3.55Å; V51-F111 HydrophobicContact CG2-CD1 4.27Å; V51-F111 HydrophobicContact CG2-CE1 3.76Å; V51-F111 HydrophobicContact CG2-CZ 4.08Å; V51-P115 HydrophobicContact CB-CG 4.36Å; V51-P115 HydrophobicContact CG1-CG 4.25Å; V51-P115 HydrophobicContact CG2-CG 3.99Å
52L98.5Very high98Very high112 Ų11258.5 Ų58.559%0.58627%0.271SS*.Hα-helixtrans-63.3-40.3177.2-68.9173.6000112.3C48 M49 Q54 F55 L56C48-L52 VanDerWaalsContact O-CG 3.27Å; C48-L52 WeakPolarHBondContact O-CG 3.42Å; C48-L52 PolarHBondContact O-N 3.17Å; M49-L52 PolarHBondContact O-N 2.92Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 2.95Å; L52-F55 PolarHBondContact O-N 3.03Å; L52-L56 PolarHBondContact O-N 3.49Å
53I98.4Very high98Very high63 Ų6357.3 Ų57.332%0.32328%0.275SS..Hα-helixtrans-60.9-42.8174.1-71.9167.2000110.5M49 M50 V51 L56 A57 F76 I80M49-I53 HydrophobicContact CE-CD1 4.22Å; M49-I53 HydrophobicContact CG-CD1 3.9Å; M49-I53 VanDerWaalsContact O-CG1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.46Å; M49-I53 PolarHBondContact O-N 3.2Å; M49-I53 HydrophobicContact SD-CD1 4.46Å; M50-I53 PolarHBondContact O-N 3.29Å; V51-I53 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 3.38Å; I53-A57 PolarHBondContact O-N 2.84Å; I53-F76 HydrophobicContact CG2-CE1 4.18Å; I53-F76 HydrophobicContact CG2-CZ 3.62Å; I53-I80 HydrophobicContact CG2-CD1 3.6Å
54Q97.8Very high98Very high0 Ų059.6 Ų59.60%029%0.287CS..Hα-helixtrans-66.8-36175.9-78.3-72.969.900112.7M50 V51 L52 L56 A57 F58 I80 N81 P115 Y211M50-Q54 PolarHBondContact O-N 3.19Å; V51-Q54 PolarHBondContact O-N 3.45Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 2.95Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 2.69Å; Q54-A57 WeakPolarHBondContact O-CB 3.39Å; Q54-A57 PolarHBondContact O-N 3.12Å; Q54-F58 HydrophobicContact CB-CE2 4.4Å; Q54-F58 HydrophobicContact CB-CZ 4.2Å; Q54-F58 WeakPolarHBondContact O-CD1 3.45Å; Q54-F58 WeakPolarHBondContact O-CD2 3.31Å; Q54-F58 WeakPolarHBondContact O-CG 3.41Å; Q54-F58 PolarHBondContact O-N 2.54Å; Q54-I80 HydrophobicContact CG-CB 4.14Å; Q54-I80 HydrophobicContact CG-CD1 4.4Å; Q54-I80 HydrophobicContact CG-CG2 3.44Å; Q54-I80 VanDerWaalsContact CG-CG2 3.44Å; Q54-N81 PolarHBondContact NE2-OD1 3.21Å; Q54-P115 HydrophobicContact CB-CB 3.77Å; Q54-P115 HydrophobicContact CB-CG 4.04Å; Q54-P115 HydrophobicContact CG-CB 3.83Å; Q54-P115 HydrophobicContact CG-CG 4.37Å; Q54-Y211 PolarHBondContact OE1-OH 3.2Å
55F98.1Very high98.1Very high72 Ų7261.4 Ų61.432%0.31630%0.3SS..Hα-helixtrans-65.2-40175.5-74.813.8000111.6V51 L52 F58 Y59 L114 F196V51-F55 HydrophobicContact CG1-CD1 4.12Å; V51-F55 HydrophobicContact CG1-CE1 3.65Å; V51-F55 HydrophobicContact CG1-CE2 4.26Å; V51-F55 HydrophobicContact CG1-CZ 3.73Å; V51-F55 VanDerWaalsContact O-CD1 3.29Å; V51-F55 WeakPolarHBondContact O-CD1 3.39Å; V51-F55 WeakPolarHBondContact O-CG 3.27Å; V51-F55 PolarHBondContact O-N 2.86Å; L52-F55 PolarHBondContact O-N 3.03Å; F55-F58 AromaticContact CD1-CD2 3.95Å; F55-F58 HydrophobicContact CD1-CD2 3.95Å; F55-F58 AromaticContact CD1-CE2 3.86Å; F55-F58 HydrophobicContact CD1-CE2 3.86Å; F55-F58 HydrophobicContact CE1-CE2 4.25Å; F55-F58 PolarHBondContact O-N 3.29Å; F55-Y59 PolarHBondContact O-N 2.97Å; F55-Y59 VanDerWaalsContact O-N 3.12Å; F55-L114 HydrophobicContact CE1-CB 4.42Å; F55-L114 HydrophobicContact CZ-CD1 4.05Å; F55-F196 HydrophobicContact CD1-CZ 4.07Å; F55-F196 HydrophobicContact CE1-CE1 4.35Å; F55-F196 AromaticContact CE1-CE2 3.62Å; F55-F196 HydrophobicContact CE1-CE2 3.62Å; F55-F196 AromaticContact CE1-CZ 3.34Å; F55-F196 HydrophobicContact CE1-CZ 3.34Å; F55-F196 HydrophobicContact CE2-CE2 4.25Å; F55-F196 HydrophobicContact CZ-CD2 4.46Å; F55-F196 AromaticContact CZ-CE2 3.46Å; F55-F196 HydrophobicContact CZ-CE2 3.46Å; F55-F196 VanDerWaalsContact CZ-CE2 3.46Å; F55-F196 AromaticContact CZ-CZ 3.72Å; F55-F196 HydrophobicContact CZ-CZ 3.72Å
56L98.3Very high98.1Very high102 Ų10259.1 Ų59.153%0.53429%0.291SS..Hα-helixtrans-61.9-45.1171.2178.260.8000111L52 I53 Q54 F58 Y59 L60L52-L56 PolarHBondContact O-N 3.49Å; I53-L56 PolarHBondContact O-N 3.38Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 2.69Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.12Å; L56-Y59 WeakPolarHBondContact O-CB 3.14Å; L56-Y59 PolarHBondContact O-N 3.43Å; L56-Y59 VanDerWaalsContact O-N 3.15Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.19Å; L56-L60 HydrophobicContact CG-CD1 3.98Å; L56-L60 HydrophobicContact CG-CG 4.39Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.32Å
57A98.2Very high98.1Very high8 Ų862.5 Ų62.57%0.06630%0.303CS..Hα-helixtrans-58.7-42.8176.900000111.7I53 Q54 Y59 L60 V61 F76 Y211I53-A57 PolarHBondContact O-N 2.84Å; Q54-A57 WeakPolarHBondContact O-CB 3.39Å; Q54-A57 PolarHBondContact O-N 3.12Å; A57-Y59 VanDerWaalsContact C-N 3.32Å; A57-Y59 PolarHBondContact O-N 2.82Å; A57-L60 PolarHBondContact O-N 3.38Å; A57-L60 VanDerWaalsContact O-N 3.14Å; A57-V61 WeakPolarHBondContact O-CG1 3.42Å; A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 2.96Å; A57-F76 HydrophobicContact CB-CE1 4.02Å; A57-Y211 HydrophobicContact CB-CE1 4.18Å
58F98.2Very high98Very high1 Ų168.1 Ų68.10%0.00433%0.325CS..Hα-helixtrans-58.3-42.7175.1-62-26.1000112.6Q54 F55 L56 V61 P115 F196 L200 P208 Y211 M212Q54-F58 HydrophobicContact CB-CE2 4.4Å; Q54-F58 HydrophobicContact CB-CZ 4.2Å; Q54-F58 WeakPolarHBondContact O-CD1 3.45Å; Q54-F58 WeakPolarHBondContact O-CD2 3.31Å; Q54-F58 WeakPolarHBondContact O-CG 3.41Å; Q54-F58 PolarHBondContact O-N 2.54Å; F55-F58 AromaticContact CD1-CD2 3.95Å; F55-F58 HydrophobicContact CD1-CD2 3.95Å; F55-F58 AromaticContact CD1-CE2 3.86Å; F55-F58 HydrophobicContact CD1-CE2 3.86Å; F55-F58 HydrophobicContact CE1-CE2 4.25Å; F55-F58 PolarHBondContact O-N 3.29Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.12Å; F58-V61 WeakPolarHBondContact O-CG2 3.48Å; F58-P115 HydrophobicContact CZ-CB 4.22Å; F58-F196 HydrophobicContact CD2-CZ 4.29Å; F58-F196 HydrophobicContact CE2-CE1 4.07Å; F58-F196 AromaticContact CE2-CZ 3.92Å; F58-F196 HydrophobicContact CE2-CZ 3.92Å; F58-L200 HydrophobicContact CB-CD1 3.95Å; F58-L200 HydrophobicContact CD2-CD1 3.74Å; F58-L200 HydrophobicContact CD2-CD2 4.11Å; F58-L200 HydrophobicContact CE2-CD2 4.33Å; F58-L200 HydrophobicContact CG-CD1 4.04Å; F58-L200 HydrophobicContact CG-CD2 4.25Å; F58-P208 HydrophobicContact CB-CB 3.93Å; F58-P208 HydrophobicContact CD1-CB 4.39Å; F58-P208 HydrophobicContact CG-CB 4.39Å; F58-P208 WeakPolarHBondContact O-CG 3.44Å; F58-Y211 AromaticContact CD1-CD1 3.59Å; F58-Y211 HydrophobicContact CD1-CD1 3.59Å; F58-Y211 AromaticContact CD1-CE1 3.77Å; F58-Y211 HydrophobicContact CD1-CE1 3.77Å; F58-Y211 AromaticContact CE1-CD1 3.56Å; F58-Y211 HydrophobicContact CE1-CD1 3.56Å; F58-Y211 AromaticContact CE1-CE1 3.62Å; F58-Y211 HydrophobicContact CE1-CE1 3.62Å; F58-M212 HydrophobicContact CE1-CB 3.82Å; F58-M212 HydrophobicContact CE1-CG 4.2Å; F58-M212 HydrophobicContact CE2-SD 4.34Å; F58-M212 HydrophobicContact CZ-CB 4.06Å; F58-M212 HydrophobicContact CZ-CG 3.94Å; F58-M212 HydrophobicContact CZ-SD 3.86Å
59Y97.9Very high98Very high116 Ų11666.4 Ų66.446%0.45531%0.313SS..Hα-helixtrans-64.1-41.7175175.3-101.5000112.1F55 L56 A57 K62 F204F55-Y59 PolarHBondContact O-N 2.97Å; F55-Y59 VanDerWaalsContact O-N 3.12Å; L56-Y59 WeakPolarHBondContact O-CB 3.14Å; L56-Y59 PolarHBondContact O-N 3.43Å; L56-Y59 VanDerWaalsContact O-N 3.15Å; A57-Y59 VanDerWaalsContact C-N 3.32Å; A57-Y59 PolarHBondContact O-N 2.82Å; Y59-K62 HydrophobicContact CD2-CD 4.18Å; Y59-K62 HydrophobicContact CE2-CD 4.37Å; Y59-K62 VanDerWaalsContact O-CD 3.25Å; Y59-K62 WeakPolarHBondContact O-CD 3.46Å; Y59-K62 WeakPolarHBondContact O-CE 3.26Å; Y59-K62 WeakPolarHBondContact O-CG 3.26Å; Y59-F204 HydrophobicContact CD2-CD1 4.33Å; Y59-F204 AromaticContact CD2-CE1 3.73Å; Y59-F204 HydrophobicContact CD2-CE1 3.73Å; Y59-F204 HydrophobicContact CD2-CZ 4.17Å; Y59-F204 HydrophobicContact CE2-CE1 4.43Å
60L98Very high98Very high96 Ų9666 Ų6650%0.50331%0.313SS..Hα-helixtrans-71.1-39.3-177.1-66.7174000113L56 A57 K62L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.19Å; L56-L60 HydrophobicContact CG-CD1 3.98Å; L56-L60 HydrophobicContact CG-CG 4.39Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.32Å; A57-L60 PolarHBondContact O-N 3.38Å; A57-L60 VanDerWaalsContact O-N 3.14Å; L60-K62 PolarHBondContact O-N 2.9Å
61V98Very high97.9Very high6 Ų670 Ų704%0.03633%0.33CS..Hα-helixtrans-71.1-15.8-175.5-62.50000113.7A57 F58 D63 L64 P208 Y211A57-V61 WeakPolarHBondContact O-CG1 3.42Å; A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 2.96Å; F58-V61 WeakPolarHBondContact O-CG2 3.48Å; V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.33Å; V61-L64 HydrophobicContact CB-CD1 4.4Å; V61-L64 HydrophobicContact CG1-CD1 4.19Å; V61-L64 PolarHBondContact O-N 3.33Å; V61-P208 HydrophobicContact CG2-CB 4.01Å; V61-P208 HydrophobicContact CG2-CG 3.92Å; V61-Y211 HydrophobicContact CG1-CD2 3.87Å; V61-Y211 HydrophobicContact CG1-CE2 4.14Å; V61-Y211 HydrophobicContact CG1-CG 4.27Å; V61-Y211 HydrophobicContact CG2-CG 4.2Å
62K96.9Very high97.9Very high51 Ų5175.5 Ų75.522%0.22235%0.351CS..THydrogen-bonded Turntrans-62.5-32.4-178.983.6-169.4170.759.90112.7Y59 L60 F204 K207 P208Y59-K62 HydrophobicContact CD2-CD 4.18Å; Y59-K62 HydrophobicContact CE2-CD 4.37Å; Y59-K62 VanDerWaalsContact O-CD 3.25Å; Y59-K62 WeakPolarHBondContact O-CD 3.46Å; Y59-K62 WeakPolarHBondContact O-CE 3.26Å; Y59-K62 WeakPolarHBondContact O-CG 3.26Å; L60-K62 PolarHBondContact O-N 2.9Å; K62-F204 HydrophobicContact CB-CB 4.25Å; K62-F204 HydrophobicContact CD-CB 4.27Å; K62-F204 HydrophobicContact CD-CD1 3.78Å; K62-F204 HydrophobicContact CD-CG 4.33Å; K62-K207 VanDerWaalsContact O-CD 3.27Å; K62-K207 WeakPolarHBondContact O-CD 3.26Å; K62-K207 PolarHBondContact O-NZ 3.06Å; K62-P208 HydrophobicContact CB-CG 4.04Å
63D96.3Very high97.9Very high113 Ų11370.2 Ų70.260%0.60432%0.323SS*.THydrogen-bonded Turntrans-95.3-3.2-176.4-59.6-39.3000112.9V61V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.33Å
64L97.8Very high97.8Very high52 Ų5272 Ų7227%0.27233%0.326SS..SBendtrans-82150-178-63.9-177000113V61 W68 V69 K207V61-L64 HydrophobicContact CB-CD1 4.4Å; V61-L64 HydrophobicContact CG1-CD1 4.19Å; V61-L64 PolarHBondContact O-N 3.33Å; L64-W68 HydrophobicContact CB-CB 4.18Å; L64-W68 HydrophobicContact CD1-CB 4.24Å; L64-V69 HydrophobicContact CB-CG2 3.98Å; L64-K207 VanDerWaalsContact O-CE 3.23Å; L64-K207 WeakPolarHBondContact O-CE 3.08Å; L64-K207 PolarHBondContact O-NZ 3.44Å
65D98.2Very high97.7Very high100 Ų10074.2 Ų74.254%0.53534%0.344SS..  trans-60.2148.5164.7-66.6-30.2000111K67 W68 V69D65-K67 VanDerWaalsContact C-N 3.25Å; D65-K67 HydrophobicContact CB-CG 4.17Å; D65-K67 PolarHBondContact O-N 3.19Å; D65-K67 VanDerWaalsContact O-N 3.12Å; D65-W68 WeakPolarHBondContact O-CA 3.46Å; D65-W68 WeakPolarHBondContact O-CB 3.29Å; D65-W68 PolarHBondContact O-N 3.5Å; D65-V69 PolarHBondContact O-N 2.88Å
66W98.3Very high97.7Very high126 Ų12674.4 Ų74.448%0.47735%0.345SS..Hα-helixtrans-53.2-37.9-178.5-80.6110.2000114.3W68 V69 L70 K207 V210W66-W68 VanDerWaalsContact C-N 3.26Å; W66-W68 PolarHBondContact O-N 3.32Å; W66-V69 HydrophobicContact CE3-CB 4.35Å; W66-V69 HydrophobicContact CE3-CG1 4.37Å; W66-V69 HydrophobicContact CZ3-CG1 4.42Å; W66-V69 WeakPolarHBondContact O-CB 3.34Å; W66-V69 PolarHBondContact O-N 2.95Å; W66-L70 WeakPolarHBondContact O-CG 3.23Å; W66-L70 PolarHBondContact O-N 3.45Å; W66-K207 HydrophobicContact CD2-CG 4.41Å; W66-K207 HydrophobicContact CE3-CG 4.39Å; W66-K207 HydrophobicContact CH2-CB 4.44Å; W66-K207 HydrophobicContact CH2-CG 3.78Å; W66-K207 HydrophobicContact CZ2-CG 3.79Å; W66-K207 HydrophobicContact CZ3-CG 4.08Å; W66-V210 HydrophobicContact CH2-CB 4.33Å; W66-V210 HydrophobicContact CH2-CG2 3.95Å; W66-V210 HydrophobicContact CZ3-CB 3.99Å; W66-V210 HydrophobicContact CZ3-CG1 3.95Å; W66-V210 HydrophobicContact CZ3-CG2 4.06Å
67K97.8Very high97.6Very high138 Ų13869.5 Ų69.560%0.632%0.32SS*.Hα-helixtrans-58.5-38.7175.867.4-175.9-179.9-177.40112.3D65 F71D65-K67 VanDerWaalsContact C-N 3.25Å; D65-K67 HydrophobicContact CB-CG 4.17Å; D65-K67 PolarHBondContact O-N 3.19Å; D65-K67 VanDerWaalsContact O-N 3.12Å; K67-F71 WeakPolarHBondContact O-CB 3.12Å; K67-F71 PolarHBondContact O-N 2.82Å
68W97.9Very high97.6Very high117 Ų11769.1 Ų69.144%0.44332%0.317SS..Hα-helixtrans-78.8-33.6178.8-66.1125.8000111.8L64 D65 W66 L70 F71 W72L64-W68 HydrophobicContact CB-CB 4.18Å; L64-W68 HydrophobicContact CD1-CB 4.24Å; D65-W68 WeakPolarHBondContact O-CA 3.46Å; D65-W68 WeakPolarHBondContact O-CB 3.29Å; D65-W68 PolarHBondContact O-N 3.5Å; W66-W68 VanDerWaalsContact C-N 3.26Å; W66-W68 PolarHBondContact O-N 3.32Å; W68-L70 VanDerWaalsContact C-N 3.35Å; W68-F71 HydrophobicContact CE3-CB 4.27Å; W68-F71 HydrophobicContact CE3-CD1 4.14Å; W68-F71 HydrophobicContact CE3-CG 4.3Å; W68-F71 HydrophobicContact CZ3-CD1 4.33Å; W68-F71 HydrophobicContact CZ3-CG 4.47Å; W68-F71 PolarHBondContact O-N 3.46Å; W68-W72 WeakPolarHBondContact O-CB 3.32Å; W68-W72 PolarHBondContact O-N 3.45Å
69V98.4Very high97.5Very high0 Ų070.9 Ų70.90%033%0.328CS..Hα-helixtrans-56.7-51.3169.4178.40000109.7L64 D65 W66 W72 T73 K207L64-V69 HydrophobicContact CB-CG2 3.98Å; D65-V69 PolarHBondContact O-N 2.88Å; W66-V69 HydrophobicContact CE3-CB 4.35Å; W66-V69 HydrophobicContact CE3-CG1 4.37Å; W66-V69 HydrophobicContact CZ3-CG1 4.42Å; W66-V69 WeakPolarHBondContact O-CB 3.34Å; W66-V69 PolarHBondContact O-N 2.95Å; V69-W72 PolarHBondContact O-N 3.49Å; V69-T73 VanDerWaalsContact O-CB 3.28Å; V69-T73 WeakPolarHBondContact O-CB 3.28Å; V69-T73 PolarHBondContact O-N 2.88Å; V69-T73 PolarHBondContact O-OG1 2.58Å; V69-K207 HydrophobicContact CG2-CB 4.21Å; V69-K207 HydrophobicContact CG2-CD 4.03Å; V69-K207 HydrophobicContact CG2-CG 4.22Å
70L97.7Very high97.4Very high96 Ų9666.3 Ų66.350%0.50331%0.312SS..Hα-helixtrans-63.9-42.8180-66177.3000112.3W66 W68 T73 Y74W66-L70 WeakPolarHBondContact O-CG 3.23Å; W66-L70 PolarHBondContact O-N 3.45Å; W68-L70 VanDerWaalsContact C-N 3.35Å; L70-T73 WeakPolarHBondContact O-CB 3.26Å; L70-T73 PolarHBondContact O-N 2.84Å; L70-Y74 PolarHBondContact O-N 2.8Å; L70-Y74 VanDerWaalsContact O-N 3.15Å
71F97.4Very high97.3Very high102 Ų10261.8 Ų61.845%0.44729%0.288SS..Hα-helixtrans-57.7-52.7175.7174.4-97.2000112K67 W68 T73 Y74 A75K67-F71 WeakPolarHBondContact O-CB 3.12Å; K67-F71 PolarHBondContact O-N 2.82Å; W68-F71 HydrophobicContact CE3-CB 4.27Å; W68-F71 HydrophobicContact CE3-CD1 4.14Å; W68-F71 HydrophobicContact CE3-CG 4.3Å; W68-F71 HydrophobicContact CZ3-CD1 4.33Å; W68-F71 HydrophobicContact CZ3-CG 4.47Å; W68-F71 PolarHBondContact O-N 3.46Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3Å; F71-Y74 PolarHBondContact O-N 2.78Å; F71-A75 HydrophobicContact CE1-CB 4.34Å; F71-A75 HydrophobicContact CZ-CB 4.3Å; F71-A75 WeakPolarHBondContact O-CB 3.43Å; F71-A75 PolarHBondContact O-N 3.22Å
72W98Very high97.3Very high115 Ų11561.6 Ų61.644%0.43629%0.286SS..Hα-helixtrans-69.8-29.4-179.6-73.6119.2000113W68 V69 Y74 F76 G77 Y211W68-W72 WeakPolarHBondContact O-CB 3.32Å; W68-W72 PolarHBondContact O-N 3.45Å; V69-W72 PolarHBondContact O-N 3.49Å; W72-Y74 VanDerWaalsContact C-N 3.31Å; W72-Y74 PolarHBondContact O-N 3.03Å; W72-F76 HydrophobicContact CE3-CB 3.94Å; W72-F76 HydrophobicContact CZ3-CB 4.49Å; W72-F76 WeakPolarHBondContact O-CA 3.47Å; W72-F76 WeakPolarHBondContact O-CB 3.26Å; W72-F76 PolarHBondContact O-N 2.73Å; W72-G77 PolarHBondContact O-N 3.48Å; W72-Y211 HydrophobicContact CB-CE2 4.48Å
73T97.9Very high97.3Very high0 Ų059.7 Ų59.70%028%0.28CS..Iπ-helixtrans-57.4-46.8171.5-60.80000110.6V69 L70 F71 G77 S78 Y211 A214 L218V69-T73 VanDerWaalsContact O-CB 3.28Å; V69-T73 WeakPolarHBondContact O-CB 3.28Å; V69-T73 PolarHBondContact O-N 2.88Å; V69-T73 PolarHBondContact O-OG1 2.58Å; L70-T73 WeakPolarHBondContact O-CB 3.26Å; L70-T73 PolarHBondContact O-N 2.84Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3Å; T73-G77 CarbonylContact O-C 3.42Å; T73-G77 WeakPolarHBondContact O-CA 3.47Å; T73-G77 PolarHBondContact O-N 2.99Å; T73-S78 WeakPolarHBondContact O-CB 3.45Å; T73-S78 PolarHBondContact O-N 3.37Å; T73-S78 PolarHBondContact O-OG 3.25Å; T73-Y211 WeakPolarHBondContact OG1-CA 3.3Å; T73-Y211 VanDerWaalsContact OG1-CD2 3.31Å; T73-Y211 WeakPolarHBondContact OG1-CD2 3.13Å; T73-A214 HydrophobicContact CG2-CB 3.83Å; T73-L218 HydrophobicContact CG2-CD1 4.09Å
74Y96.9Very high97.3Very high101 Ų10154.3 Ų54.340%0.39625%0.251SS..Iπ-helixtrans-75.1-51.6178.3-175.3-98.9000112.1L70 F71 W72 F76 S78 L218L70-Y74 PolarHBondContact O-N 2.8Å; L70-Y74 VanDerWaalsContact O-N 3.15Å; F71-Y74 PolarHBondContact O-N 2.78Å; W72-Y74 VanDerWaalsContact C-N 3.31Å; W72-Y74 PolarHBondContact O-N 3.03Å; Y74-F76 PolarHBondContact O-N 3.02Å; Y74-S78 WeakPolarHBondContact CA-OG 3.13Å; Y74-S78 WeakPolarHBondContact O-CB 3.42Å; Y74-L218 HydrophobicContact CD2-CB 4.16Å; Y74-L218 HydrophobicContact CD2-CD1 4.27Å
75A96.2Very high97.3Very high46 Ų4652.3 Ų52.338%0.3824%0.241SC..Iπ-helixtrans-69.5-32.9-171.200000113.7F71 C79F71-A75 HydrophobicContact CE1-CB 4.34Å; F71-A75 HydrophobicContact CZ-CB 4.3Å; F71-A75 WeakPolarHBondContact O-CB 3.43Å; F71-A75 PolarHBondContact O-N 3.22Å; A75-C79 PolarHBondContact O-SG 3.35Å
76F97.3Very high97.3Very high76 Ų7647.9 Ų47.933%0.33322%0.217SC..Iπ-helixtrans-124-53.1-172.3-177.7-103.3000112.5I53 A57 W72 Y74 S78 C79 I80 Y211I53-F76 HydrophobicContact CG2-CE1 4.18Å; I53-F76 HydrophobicContact CG2-CZ 3.62Å; A57-F76 HydrophobicContact CB-CE1 4.02Å; W72-F76 HydrophobicContact CE3-CB 3.94Å; W72-F76 HydrophobicContact CZ3-CB 4.49Å; W72-F76 WeakPolarHBondContact O-CA 3.47Å; W72-F76 WeakPolarHBondContact O-CB 3.26Å; W72-F76 PolarHBondContact O-N 2.73Å; Y74-F76 PolarHBondContact O-N 3.02Å; F76-S78 VanDerWaalsContact C-N 3.33Å; F76-S78 PolarHBondContact O-N 3.4Å; F76-C79 WeakPolarHBondContact O-CB 3.34Å; F76-C79 PolarHBondContact O-N 3.3Å; F76-I80 HydrophobicContact CD1-CD1 4.2Å; F76-I80 HydrophobicContact CD2-CD1 4.38Å; F76-I80 HydrophobicContact CE1-CD1 3.5Å; F76-I80 VanDerWaalsContact CE1-CD1 3.5Å; F76-I80 HydrophobicContact CE2-CD1 3.72Å; F76-I80 HydrophobicContact CE2-CG1 4.48Å; F76-I80 HydrophobicContact CZ-CD1 3.25Å; F76-I80 HydrophobicContact CZ-CG1 4.38Å; F76-I80 PolarHBondContact O-N 3.31Å; F76-Y211 VanDerWaalsContact CD1-OH 3.29Å; F76-Y211 WeakPolarHBondContact CD1-OH 3.48Å
77G97.3Very high97.3Very high0 Ų041.9 Ų41.90%019%0.194CC..Iπ-helixtrans-59.9-41.5-177.200000113.2W72 T73 I80 N81 Y211W72-G77 PolarHBondContact O-N 3.48Å; T73-G77 CarbonylContact O-C 3.42Å; T73-G77 WeakPolarHBondContact O-CA 3.47Å; T73-G77 PolarHBondContact O-N 2.99Å; G77-I80 PolarHBondContact O-N 3.24Å; G77-N81 VanDerWaalsContact O-CB 3.29Å; G77-N81 WeakPolarHBondContact O-CB 3.35Å; G77-N81 VanDerWaalsContact O-CG 3.32Å; G77-N81 PolarHBondContact O-N 2.77Å; G77-N81 PolarHBondContact O-OD1 3.47Å; G77-Y211 VanDerWaalsContact CA-CZ 3.49Å; G77-Y211 WeakPolarHBondContact CA-OH 3.32Å; G77-Y211 PolarHBondContact N-OH 3.47Å
78S96.8Very high97.3Very high0 Ų035.3 Ų35.30%017%0.166CC..Hα-helixtrans-66.1-40.7178.2-60.30000111.9T73 Y74 F76 H82 G215 L218T73-S78 WeakPolarHBondContact O-CB 3.45Å; T73-S78 PolarHBondContact O-N 3.37Å; T73-S78 PolarHBondContact O-OG 3.25Å; Y74-S78 WeakPolarHBondContact CA-OG 3.13Å; Y74-S78 WeakPolarHBondContact O-CB 3.42Å; F76-S78 VanDerWaalsContact C-N 3.33Å; F76-S78 PolarHBondContact O-N 3.4Å; S78-H82 WeakPolarHBondContact O-CB 3.49Å; S78-H82 PolarHBondContact O-N 3.44Å; S78-G215 WeakPolarHBondContact CA-O 3.27Å; S78-G215 PolarHBondContact OG-O 3.1Å; S78-L218 WeakPolarHBondContact OG-CB 3.22Å
79C96.4Very high97.3Very high37 Ų3730.2 Ų30.225%0.2515%0.147CC..Hα-helixtrans-60.9-48.3175.3-67.70000111.5A75 F76 S83 H223A75-C79 PolarHBondContact O-SG 3.35Å; F76-C79 WeakPolarHBondContact O-CB 3.34Å; F76-C79 PolarHBondContact O-N 3.3Å; C79-S83 WeakPolarHBondContact O-CB 3.32Å; C79-S83 PolarHBondContact O-N 2.95Å; C79-H223 VanDerWaalsContact SG-CE1 3.58Å; C79-H223 PolarHBondContact SG-NE2 3.12Å
80I96.6Very high97.3Very high21 Ų2130.5 Ų30.511%0.10815%0.148CC..Hα-helixtrans-70.3-43.1-179.9-61.4-177.4000111M50 I53 Q54 F76 G77 H82 S83 M84M50-I80 HydrophobicContact CE-CG2 4.14Å; I53-I80 HydrophobicContact CG2-CD1 3.6Å; Q54-I80 HydrophobicContact CG-CB 4.14Å; Q54-I80 HydrophobicContact CG-CD1 4.4Å; Q54-I80 HydrophobicContact CG-CG2 3.44Å; Q54-I80 VanDerWaalsContact CG-CG2 3.44Å; F76-I80 HydrophobicContact CD1-CD1 4.2Å; F76-I80 HydrophobicContact CD2-CD1 4.38Å; F76-I80 HydrophobicContact CE1-CD1 3.5Å; F76-I80 VanDerWaalsContact CE1-CD1 3.5Å; F76-I80 HydrophobicContact CE2-CD1 3.72Å; F76-I80 HydrophobicContact CE2-CG1 4.48Å; F76-I80 HydrophobicContact CZ-CD1 3.25Å; F76-I80 HydrophobicContact CZ-CG1 4.38Å; F76-I80 PolarHBondContact O-N 3.31Å; G77-I80 PolarHBondContact O-N 3.24Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.45Å; I80-S83 CarbonylContact O-C 3.49Å; I80-S83 PolarHBondContact O-N 2.92Å; I80-S83 VanDerWaalsContact O-N 3.14Å; I80-M84 HydrophobicContact CG2-CG 3.98Å; I80-M84 WeakPolarHBondContact O-CB 3.35Å; I80-M84 VanDerWaalsContact O-CG 3.27Å; I80-M84 WeakPolarHBondContact O-CG 3.46Å; I80-M84 PolarHBondContact O-N 2.93Å
81N96.3Very high97.3Very high1 Ų126 Ų261%0.00513%0.125CC..Hα-helixtrans-60-42.9178.5-78.811.4000111.5Q54 G77 M84 T85 P115 M212 S216Q54-N81 PolarHBondContact NE2-OD1 3.21Å; G77-N81 VanDerWaalsContact O-CB 3.29Å; G77-N81 WeakPolarHBondContact O-CB 3.35Å; G77-N81 VanDerWaalsContact O-CG 3.32Å; G77-N81 PolarHBondContact O-N 2.77Å; G77-N81 PolarHBondContact O-OD1 3.47Å; N81-M84 WeakPolarHBondContact O-CB 3.44Å; N81-M84 PolarHBondContact O-N 3.12Å; N81-T85 WeakPolarHBondContact O-CG2 3.15Å; N81-T85 PolarHBondContact O-N 3.11Å; N81-P115 PolarHBondContact ND2-O 3.18Å; N81-P115 PolarHBondContact OD1-O 3.19Å; N81-M212 PolarHBondContact ND2-O 2.96Å; N81-S216 PolarHBondContact ND2-N 3.15Å; N81-S216 PolarHBondContact ND2-OG 2.93Å
82H96.5Very high97.4Very high1 Ų121.2 Ų21.21%0.00510%0.104CC..Hα-helixtrans-65.3-41.5175.2-160.6107.7000111.9S78 I80 M84 T85 L86 G219 I225 S226 H228 F229S78-H82 WeakPolarHBondContact O-CB 3.49Å; S78-H82 PolarHBondContact O-N 3.44Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.45Å; H82-M84 VanDerWaalsContact C-N 3.3Å; H82-M84 PolarHBondContact O-N 3.44Å; H82-T85 PolarHBondContact O-N 2.8Å; H82-T85 PolarHBondContact O-OG1 3.01Å; H82-L86 PolarHBondContact O-N 3.41Å; H82-G219 PolarHBondContact ND1-O 2.63Å; H82-I225 WeakPolarHBondContact CD2-CG2 3.42Å; H82-I225 WeakPolarHBondContact NE2-CG2 3.32Å; H82-S226 VanDerWaalsContact CE1-CA 3.49Å; H82-S226 WeakPolarHBondContact CE1-CA 3.48Å; H82-H228 AromaticContact CE1-CD2 3.65Å; H82-H228 AromaticContact CE1-NE2 3.43Å; H82-H228 PolarHBondContact CE1-NE2 3.04Å; H82-H228 AromaticContact NE2-CD2 3.1Å; H82-H228 PolarHBondContact NE2-CD2 3.17Å; H82-H228 AromaticContact NE2-NE2 2.95Å; H82-H228 PolarHBondContact NE2-NE2 3.5Å; H82-F229 AromaticContact CE1-CE2 3.7Å
83S97.1Very high97.3Very high12 Ų1216.6 Ų16.68%0.0849%0.087CC..Hα-helixtrans-62.4-39.2173.6-171.50000111.6M50 C79 I80 T85 L86 A87 L252 F254M50-S83 WeakPolarHBondContact CE-OG 3.45Å; C79-S83 WeakPolarHBondContact O-CB 3.32Å; C79-S83 PolarHBondContact O-N 2.95Å; I80-S83 CarbonylContact O-C 3.49Å; I80-S83 PolarHBondContact O-N 2.92Å; I80-S83 VanDerWaalsContact O-N 3.14Å; S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 3.06Å; S83-L86 CarbonylContact O-C 3.41Å; S83-L86 PolarHBondContact O-N 2.93Å; S83-A87 PolarHBondContact O-N 2.8Å; S83-L252 VanDerWaalsContact CB-O 3.22Å; S83-L252 WeakPolarHBondContact CB-O 3.17Å; S83-L252 PolarHBondContact OG-O 3.03Å; S83-F254 WeakPolarHBondContact O-CE2 3.47Å
84M97.7Very high97.3Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-65.5-33.1176.4-72.7-59.7-62.100112.8V47 M50 V51 I80 N81 H82 L86 A87 I88 A112 P115 I116V47-M84 HydrophobicContact CG1-CE 4.07Å; M50-M84 HydrophobicContact CB-SD 3.54Å; M50-M84 VanDerWaalsContact CB-SD 3.54Å; M50-M84 HydrophobicContact CE-CG 3.87Å; M50-M84 HydrophobicContact CE-SD 3.58Å; M50-M84 VanDerWaalsContact CE-SD 3.58Å; M50-M84 HydrophobicContact CG-SD 4.43Å; M50-M84 HydrophobicContact SD-SD 4.1Å; V51-M84 HydrophobicContact CG2-CE 3.59Å; V51-M84 HydrophobicContact CG2-SD 4.46Å; I80-M84 HydrophobicContact CG2-CG 3.98Å; I80-M84 WeakPolarHBondContact O-CB 3.35Å; I80-M84 VanDerWaalsContact O-CG 3.27Å; I80-M84 WeakPolarHBondContact O-CG 3.46Å; I80-M84 PolarHBondContact O-N 2.93Å; N81-M84 WeakPolarHBondContact O-CB 3.44Å; N81-M84 PolarHBondContact O-N 3.12Å; H82-M84 VanDerWaalsContact C-N 3.3Å; H82-M84 PolarHBondContact O-N 3.44Å; M84-L86 VanDerWaalsContact C-N 3.31Å; M84-A87 WeakPolarHBondContact O-CB 3.31Å; M84-A87 PolarHBondContact O-N 3.11Å; M84-I88 WeakPolarHBondContact O-CG1 3.25Å; M84-I88 PolarHBondContact O-N 2.91Å; M84-A112 VanDerWaalsContact CE-CA 3.47Å; M84-A112 HydrophobicContact CE-CB 3.64Å; M84-A112 WeakPolarHBondContact CE-O 3.32Å; M84-P115 HydrophobicContact CE-CG 4.47Å; M84-I116 HydrophobicContact CB-CD1 4.17Å; M84-I116 HydrophobicContact CB-CG1 4.36Å
85T97.1Very high97.3Very high9 Ų912.7 Ų12.76%0.0557%0.074CC..Hα-helixtrans-65-40173.758.10000111.2N81 H82 S83 I88 H89 I116 Y120 M220N81-T85 WeakPolarHBondContact O-CG2 3.15Å; N81-T85 PolarHBondContact O-N 3.11Å; H82-T85 PolarHBondContact O-N 2.8Å; H82-T85 PolarHBondContact O-OG1 3.01Å; S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 3.06Å; T85-I88 WeakPolarHBondContact O-CB 3.39Å; T85-I88 PolarHBondContact O-N 3.35Å; T85-H89 PolarHBondContact O-N 3.48Å; T85-I116 HydrophobicContact CG2-CD1 3.7Å; T85-I116 HydrophobicContact CG2-CG1 4.45Å; T85-Y120 WeakPolarHBondContact CA-OH 3.49Å; T85-Y120 WeakPolarHBondContact CB-OH 3.49Å; T85-Y120 HydrophobicContact CG2-CE1 4.48Å; T85-Y120 PolarHBondContact O-OH 3.49Å; T85-M220 HydrophobicContact CG2-CG 4.42Å; T85-M220 HydrophobicContact CG2-SD 3.83Å
86L97.6Very high97.4Very high7 Ų710.7 Ų10.74%0.0376%0.057CC..Hα-helixtrans-72.7-28.1175.9-62.1176.4000113.2H82 S83 M84 H89 E90 T253 F254 V256H82-L86 PolarHBondContact O-N 3.41Å; S83-L86 CarbonylContact O-C 3.41Å; S83-L86 PolarHBondContact O-N 2.93Å; M84-L86 VanDerWaalsContact C-N 3.31Å; L86-H89 VanDerWaalsContact O-CB 3.31Å; L86-H89 WeakPolarHBondContact O-CB 3.16Å; L86-H89 PolarHBondContact O-N 3.39Å; L86-E90 PolarHBondContact O-N 3.4Å; L86-T253 HydrophobicContact CD1-CG2 3.28Å; L86-F254 HydrophobicContact CB-CD2 4.2Å; L86-V256 HydrophobicContact CD1-CG1 3.89Å; L86-V256 HydrophobicContact CD2-CB 4.38Å; L86-V256 HydrophobicContact CD2-CG1 4.08Å; L86-V256 HydrophobicContact CD2-CG2 4.22Å
87A98.1Very high97.4Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-65.2-42.3167.900000111.7V47 S83 M84 H89 E90 I91 F254V47-A87 HydrophobicContact CG2-CB 3.68Å; S83-A87 PolarHBondContact O-N 2.8Å; M84-A87 WeakPolarHBondContact O-CB 3.31Å; M84-A87 PolarHBondContact O-N 3.11Å; A87-H89 VanDerWaalsContact C-N 3.29Å; A87-H89 PolarHBondContact O-N 2.75Å; A87-E90 PolarHBondContact O-N 2.74Å; A87-I91 WeakPolarHBondContact O-CD1 3.47Å; A87-I91 WeakPolarHBondContact O-CG1 3.42Å; A87-I91 PolarHBondContact O-N 3.25Å; A87-F254 HydrophobicContact CB-CD2 4.42Å; A87-F254 HydrophobicContact CB-CE2 3.7Å; A87-F254 HydrophobicContact CB-CZ 3.83Å
88I98.5Very high97.4Very high1 Ų19.5 Ų9.51%0.0055%0.054CC..Hα-helixtrans-64.1-38.1174.8-70.8164.2000110.7M84 T85 I91 S92 A112 N113 I116 Y120 F124M84-I88 WeakPolarHBondContact O-CG1 3.25Å; M84-I88 PolarHBondContact O-N 2.91Å; T85-I88 WeakPolarHBondContact O-CB 3.39Å; T85-I88 PolarHBondContact O-N 3.35Å; I88-I91 PolarHBondContact O-N 2.94Å; I88-S92 WeakPolarHBondContact O-CB 3.49Å; I88-S92 PolarHBondContact O-N 3.26Å; I88-A112 HydrophobicContact CD1-CB 4.33Å; I88-A112 HydrophobicContact CG1-CB 3.8Å; I88-N113 HydrophobicContact CD1-CB 4.07Å; I88-I116 HydrophobicContact CD1-CD1 3.57Å; I88-Y120 WeakPolarHBondContact CB-OH 3.38Å; I88-Y120 HydrophobicContact CD1-CE1 3.63Å; I88-Y120 WeakPolarHBondContact CD1-OH 3.25Å; I88-F124 HydrophobicContact CG2-CD1 4.15Å
89H98.1Very high97.3Very high9 Ų915 Ų154%0.0428%0.084CC..Hα-helixtrans-52.7-54.6169.1165.5-81.7000111.6T85 L86 A87 I91 S92 H93 F124 H128 H262T85-H89 PolarHBondContact O-N 3.48Å; L86-H89 VanDerWaalsContact O-CB 3.31Å; L86-H89 WeakPolarHBondContact O-CB 3.16Å; L86-H89 PolarHBondContact O-N 3.39Å; A87-H89 VanDerWaalsContact C-N 3.29Å; A87-H89 PolarHBondContact O-N 2.75Å; H89-I91 PolarHBondContact O-N 3.33Å; H89-S92 VanDerWaalsContact O-CB 3.27Å; H89-S92 WeakPolarHBondContact O-CB 3.36Å; H89-S92 PolarHBondContact O-N 3.11Å; H89-S92 VanDerWaalsContact O-N 3.08Å; H89-S92 PolarHBondContact O-OG 3.08Å; H89-H93 AromaticContact CE1-NE2 3.88Å; H89-H93 AromaticContact NE2-NE2 3.69Å; H89-H93 PolarHBondContact O-CD2 3.41Å; H89-F124 HydrophobicContact CB-CE1 4.1Å; H89-F124 HydrophobicContact CB-CZ 4.09Å; H89-H128 AromaticContact CD2-CD2 3.92Å; H89-H128 AromaticContact CD2-CE1 3.2Å; H89-H128 PolarHBondContact CD2-CE1 3.48Å; H89-H128 AromaticContact CD2-NE2 3.06Å; H89-H128 PolarHBondContact CD2-NE2 3.31Å; H89-H128 AromaticContact NE2-CE1 3.29Å; H89-H128 PolarHBondContact NE2-CE1 3.14Å; H89-H128 VanDerWaalsContact NE2-CE1 3.29Å; H89-H128 AromaticContact NE2-NE2 3.09Å; H89-H128 PolarHBondContact NE2-NE2 3.38Å; H89-H262 AromaticContact CE1-CD2 3.77Å; H89-H262 AromaticContact CE1-CE1 3.38Å; H89-H262 PolarHBondContact CE1-CE1 2.84Å; H89-H262 AromaticContact CE1-NE2 3.09Å; H89-H262 PolarHBondContact CE1-NE2 3.29Å; H89-H262 AromaticContact NE2-CD2 3.75Å; H89-H262 AromaticContact NE2-CE1 3.74Å; H89-H262 AromaticContact NE2-NE2 3.02Å; H89-H262 PolarHBondContact NE2-NE2 2.74Å
90E97.8Very high97.2Very high7 Ų718.7 Ų18.73%0.03311%0.11CC..Hα-helixtrans-57.5-47.3176.6-72.7-6499.500112.3L43 L86 A87 S92 H93 T95 F254 G270L43-E90 HydrophobicContact CD1-CB 4.42Å; L43-E90 HydrophobicContact CD2-CB 3.81Å; L86-E90 PolarHBondContact O-N 3.4Å; A87-E90 PolarHBondContact O-N 2.74Å; E90-S92 PolarHBondContact O-N 3.25Å; E90-H93 WeakPolarHBondContact O-CB 3.39Å; E90-H93 PolarHBondContact O-N 3.17Å; E90-H93 VanDerWaalsContact O-N 3.1Å; E90-T95 PolarHBondContact O-OG1 2.96Å; E90-F254 HydrophobicContact CG-CB 3.96Å; E90-F254 HydrophobicContact CG-CG 4.36Å; E90-G270 PolarHBondContact OE2-N 3Å
91I98.4Very high97.2Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-62.1-29.9179.7-62.8159.3000111.4L43 V47 A87 I88 H89 H93 N94 A96 N105 F108 A109 A112L43-I91 HydrophobicContact CD2-CG1 4.21Å; V47-I91 HydrophobicContact CG1-CD1 4.46Å; V47-I91 HydrophobicContact CG2-CD1 4.4Å; A87-I91 WeakPolarHBondContact O-CD1 3.47Å; A87-I91 WeakPolarHBondContact O-CG1 3.42Å; A87-I91 PolarHBondContact O-N 3.25Å; I88-I91 PolarHBondContact O-N 2.94Å; H89-I91 PolarHBondContact O-N 3.33Å; I91-H93 PolarHBondContact O-N 2.78Å; I91-N94 WeakPolarHBondContact O-CA 3.45Å; I91-N94 PolarHBondContact O-N 3.43Å; I91-A96 HydrophobicContact CG1-CB 4.13Å; I91-N105 HydrophobicContact CG2-CB 3.92Å; I91-N105 WeakPolarHBondContact CG2-O 3.46Å; I91-F108 HydrophobicContact CD1-CD1 3.59Å; I91-F108 HydrophobicContact CD1-CE1 3.77Å; I91-F108 HydrophobicContact CG1-CD1 4.04Å; I91-F108 HydrophobicContact CG1-CE1 4.34Å; I91-F108 HydrophobicContact CG2-CD1 4.45Å; I91-A109 HydrophobicContact CB-CB 4.49Å; I91-A109 HydrophobicContact CG2-CB 3.81Å; I91-A112 HydrophobicContact CD1-CB 3.97Å
92S97.9Very high97.2Very high3 Ų325.4 Ų25.42%0.02114%0.141CC..Hα-helixtrans-63.5-30.2178.586.20000112.3I88 H89 E90 N94 K125 H128I88-S92 WeakPolarHBondContact O-CB 3.49Å; I88-S92 PolarHBondContact O-N 3.26Å; H89-S92 VanDerWaalsContact O-CB 3.27Å; H89-S92 WeakPolarHBondContact O-CB 3.36Å; H89-S92 PolarHBondContact O-N 3.11Å; H89-S92 VanDerWaalsContact O-N 3.08Å; H89-S92 PolarHBondContact O-OG 3.08Å; E90-S92 PolarHBondContact O-N 3.25Å; S92-N94 PolarHBondContact O-N 3.14Å; S92-K125 PolarHBondContact O-NZ 2.92Å; S92-H128 PolarHBondContact OG-CD2 2.98Å
93H97.7Very high97.3Very high17 Ų1729.9 Ų29.98%0.07916%0.163CC..THydrogen-bonded Turntrans-79.58.6171.5-64.8-70.7000113.7H89 E90 I91 T95 H128 H132 H262 P266H89-H93 AromaticContact CE1-NE2 3.88Å; H89-H93 AromaticContact NE2-NE2 3.69Å; H89-H93 PolarHBondContact O-CD2 3.41Å; E90-H93 WeakPolarHBondContact O-CB 3.39Å; E90-H93 PolarHBondContact O-N 3.17Å; E90-H93 VanDerWaalsContact O-N 3.1Å; I91-H93 PolarHBondContact O-N 2.78Å; H93-T95 HydrophobicContact CB-CG2 3.91Å; H93-T95 PolarHBondContact O-N 2.89Å; H93-H128 AromaticContact CE1-CD2 3.8Å; H93-H128 AromaticContact CE1-NE2 3.5Å; H93-H128 AromaticContact NE2-CD2 3.41Å; H93-H128 PolarHBondContact NE2-CD2 2.85Å; H93-H128 AromaticContact NE2-NE2 2.89Å; H93-H128 PolarHBondContact NE2-NE2 3.47Å; H93-H132 AromaticContact CE1-CD2 3.43Å; H93-H132 PolarHBondContact CE1-CD2 2.81Å; H93-H132 VanDerWaalsContact CE1-CD2 3.43Å; H93-H132 AromaticContact CE1-NE2 3.39Å; H93-H132 PolarHBondContact CE1-NE2 2.86Å; H93-H132 AromaticContact NE2-CD2 3.92Å; H93-H132 AromaticContact NE2-NE2 3.5Å; H93-H132 PolarHBondContact NE2-NE2 2.83Å; H93-H262 AromaticContact CD2-CE1 3.6Å; H93-H262 AromaticContact CE1-CE1 3.75Å; H93-H262 AromaticContact CE1-NE2 3.93Å; H93-H262 AromaticContact NE2-CE1 3.22Å; H93-H262 PolarHBondContact NE2-CE1 2.95Å; H93-H262 AromaticContact NE2-NE2 3.36Å; H93-H262 PolarHBondContact NE2-NE2 2.54Å; H93-P266 VanDerWaalsContact CB-O 3.28Å; H93-P266 WeakPolarHBondContact CB-O 3.4Å; H93-P266 VanDerWaalsContact CG-O 3.28Å; H93-P266 PolarHBondContact ND1-O 2.92Å
94N97.5Very high97.3Very high17 Ų1736.1 Ų36.19%0.09119%0.185CC..THydrogen-bonded Turntrans60.224.4-176.8-54.7-39.5000114I91 S92 A96 G98 N99 N105 R106I91-N94 WeakPolarHBondContact O-CA 3.45Å; I91-N94 PolarHBondContact O-N 3.43Å; S92-N94 PolarHBondContact O-N 3.14Å; N94-A96 VanDerWaalsContact C-N 3.29Å; N94-A96 PolarHBondContact O-N 3Å; N94-G98 CarbonylContact O-C 3.51Å; N94-G98 WeakPolarHBondContact O-CA 3.34Å; N94-G98 PolarHBondContact O-N 3.3Å; N94-N99 PolarHBondContact ND2-OD1 3.16Å; N94-N105 WeakPolarHBondContact CA-OD1 3.44Å; N94-N105 PolarHBondContact O-OD1 3.25Å; N94-R106 PolarHBondContact OD1-NH1 2.93Å; N94-R106 VanDerWaalsContact OD1-NH1 3.1Å; N94-R106 PolarHBondContact OD1-NH2 3.21Å
95T97.1Very high97.3Very high3 Ų336.1 Ų36.12%0.01819%0.185CC..THydrogen-bonded Turntrans-77-11.7-175.461.20000113.3P39 D40 L43 E90 H93 P269P39-T95 CarbonylContact C-O 3.57Å; P39-T95 WeakPolarHBondContact CA-O 3.32Å; P39-T95 WeakPolarHBondContact CB-O 3.44Å; D40-T95 PolarHBondContact N-O 2.9Å; L43-T95 WeakPolarHBondContact CD2-OG1 3.48Å; E90-T95 PolarHBondContact O-OG1 2.96Å; H93-T95 HydrophobicContact CB-CG2 3.91Å; H93-T95 PolarHBondContact O-N 2.89Å; T95-P269 HydrophobicContact CG2-CB 4.19Å
96A97.5Very high97.4Very high4 Ų437.1 Ų37.13%0.03319%0.188CC..THydrogen-bonded Turntrans-78.2-41.3177.800000113L43 I91 N94 N105 F108L43-A96 HydrophobicContact CD2-CB 4.01Å; L43-A96 HydrophobicContact CG-CB 4.43Å; I91-A96 HydrophobicContact CG1-CB 4.13Å; N94-A96 VanDerWaalsContact C-N 3.29Å; N94-A96 PolarHBondContact O-N 3Å; A96-N105 WeakPolarHBondContact CB-OD1 3.41Å; A96-N105 PolarHBondContact N-OD1 2.68Å; A96-F108 HydrophobicContact CB-CD1 4.15Å; A96-F108 HydrophobicContact CB-CE1 4.44Å
97F97.8Very high97.4Very high41 Ų4143.2 Ų43.218%0.1821%0.21CC..THydrogen-bonded Turntrans-126.2-1.4-177.4-58-86.3000114.7K44 R101 W104 N105 F108K44-F97 HydrophobicContact CB-CZ 4.25Å; K44-F97 HydrophobicContact CD-CE1 4.01Å; K44-F97 HydrophobicContact CD-CZ 4.31Å; F97-R101 HydrophobicContact CB-CB 3.95Å; F97-W104 HydrophobicContact CB-CB 4.18Å; F97-W104 HydrophobicContact CD1-CB 4.41Å; F97-W104 AromaticContact CD1-CE3 3.94Å; F97-W104 HydrophobicContact CD1-CE3 3.94Å; F97-W104 HydrophobicContact CD2-CB 4.03Å; F97-W104 HydrophobicContact CE1-CE3 4.07Å; F97-W104 HydrophobicContact CG-CB 3.95Å; F97-N105 PolarHBondContact N-OD1 2.94Å; F97-F108 HydrophobicContact CD2-CB 4.43Å; F97-F108 HydrophobicContact CE2-CB 3.56Å; F97-F108 AromaticContact CE2-CD1 3.8Å; F97-F108 HydrophobicContact CE2-CD1 3.8Å; F97-F108 HydrophobicContact CE2-CD2 4.19Å; F97-F108 AromaticContact CE2-CG 3.58Å; F97-F108 HydrophobicContact CE2-CG 3.58Å; F97-F108 HydrophobicContact CZ-CB 4.34Å; F97-F108 HydrophobicContact CZ-CD1 4.49Å; F97-F108 HydrophobicContact CZ-CD2 4.27Å; F97-F108 HydrophobicContact CZ-CG 4.12Å
98G96.5Very high97.4Very high9 Ų944.3 Ų44.39%0.09322%0.215CC..  trans81.6167.7-177.100000113.6N94 S100 R101 N105N94-G98 CarbonylContact O-C 3.51Å; N94-G98 WeakPolarHBondContact O-CA 3.34Å; N94-G98 PolarHBondContact O-N 3.3Å; G98-S100 VanDerWaalsContact C-N 3.34Å; G98-S100 PolarHBondContact O-N 3.32Å; G98-R101 CarbonylContact O-C 3.52Å; G98-R101 PolarHBondContact O-N 3.44Å; G98-N105 PolarHBondContact O-ND2 3.28Å; G98-N105 VanDerWaalsContact O-ND2 3.14Å
99N94.7Very high97.5Very high116 Ų11644.5 Ų44.562%0.6222%0.217SC*.G310 helixtrans-65.4-32.7-177.6-70.8-47000113.5N94 R101 A102N94-N99 PolarHBondContact ND2-OD1 3.16Å; N99-R101 PolarHBondContact O-N 2.92Å; N99-A102 PolarHBondContact O-N 3.2Å
100S95.5Very high97.5Very high115 Ų11544.3 Ų44.380%0.80422%0.216SC*.G310 helixtrans-65.1-18.9177.658.30000113.4G98G98-S100 VanDerWaalsContact C-N 3.34Å; G98-S100 PolarHBondContact O-N 3.32Å
101R96.5Very high97.5Very high129 Ų12947 Ų4749%0.48723%0.228SC..G310 helixtrans-12144.6177.4-58.7-175.4-175.2-172.93.6111F97 G98 N99 M103 W104 N105F97-R101 HydrophobicContact CB-CB 3.95Å; G98-R101 CarbonylContact O-C 3.52Å; G98-R101 PolarHBondContact O-N 3.44Å; N99-R101 PolarHBondContact O-N 2.92Å; R101-M103 PolarHBondContact O-N 3.18Å; R101-W104 HydrophobicContact CB-CB 4.1Å; R101-W104 HydrophobicContact CB-CG 4.03Å; R101-W104 WeakPolarHBondContact O-CB 3.28Å; R101-W104 PolarHBondContact O-N 3.02Å; R101-N105 PolarHBondContact O-N 2.92Å; R101-N105 PolarHBondContact O-ND2 2.98Å
102A95.8Very high97.5Very high33 Ų3347 Ų4727%0.27323%0.228SC..Hα-helixtrans-51.7-41.3-178.300000113.1N99 W104 N105 R106N99-A102 PolarHBondContact O-N 3.2Å; A102-W104 VanDerWaalsContact C-N 3.32Å; A102-W104 PolarHBondContact O-N 3.11Å; A102-N105 WeakPolarHBondContact O-CB 3.47Å; A102-N105 PolarHBondContact O-N 3.07Å; A102-R106 PolarHBondContact O-N 3.25Å; A102-R106 VanDerWaalsContact O-N 3.16Å
103M97.7Very high97.6Very high96 Ų9646.9 Ų46.947%0.47323%0.227SC..Hα-helixtrans-65.7-31.4178.1-72.7-56.7-59.900113.8R101 N105 R106 W107 L185R101-M103 PolarHBondContact O-N 3.18Å; M103-N105 VanDerWaalsContact C-N 3.3Å; M103-R106 PolarHBondContact O-N 3.27Å; M103-R106 VanDerWaalsContact O-N 3.15Å; M103-R106 HydrophobicContact SD-CG 4.32Å; M103-W107 PolarHBondContact O-N 3.16Å; M103-W107 VanDerWaalsContact O-N 3.08Å; M103-L185 HydrophobicContact CE-CD2 3.97Å
104W98.1Very high97.6Very high143 Ų14347 Ų4754%0.54223%0.228SC..Hα-helixtrans-67.3-37.7175.8-68.438.7000110.3F97 R101 A102 R106 F108F97-W104 HydrophobicContact CB-CB 4.18Å; F97-W104 HydrophobicContact CD1-CB 4.41Å; F97-W104 AromaticContact CD1-CE3 3.94Å; F97-W104 HydrophobicContact CD1-CE3 3.94Å; F97-W104 HydrophobicContact CD2-CB 4.03Å; F97-W104 HydrophobicContact CE1-CE3 4.07Å; F97-W104 HydrophobicContact CG-CB 3.95Å; R101-W104 HydrophobicContact CB-CB 4.1Å; R101-W104 HydrophobicContact CB-CG 4.03Å; R101-W104 WeakPolarHBondContact O-CB 3.28Å; R101-W104 PolarHBondContact O-N 3.02Å; A102-W104 VanDerWaalsContact C-N 3.32Å; A102-W104 PolarHBondContact O-N 3.11Å; W104-R106 VanDerWaalsContact C-N 3.32Å; W104-R106 PolarHBondContact O-N 3.02Å; W104-F108 WeakPolarHBondContact O-CB 3.46Å; W104-F108 PolarHBondContact O-N 2.84Å
105N98.3Very high97.6Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-63.1-36.9171.5-64.6-84.6000111.8I91 N94 A96 F97 G98 R101 A102 M103 A109I91-N105 HydrophobicContact CG2-CB 3.92Å; I91-N105 WeakPolarHBondContact CG2-O 3.46Å; N94-N105 WeakPolarHBondContact CA-OD1 3.44Å; N94-N105 PolarHBondContact O-OD1 3.25Å; A96-N105 WeakPolarHBondContact CB-OD1 3.41Å; A96-N105 PolarHBondContact N-OD1 2.68Å; F97-N105 PolarHBondContact N-OD1 2.94Å; G98-N105 PolarHBondContact O-ND2 3.28Å; G98-N105 VanDerWaalsContact O-ND2 3.14Å; R101-N105 PolarHBondContact O-N 2.92Å; R101-N105 PolarHBondContact O-ND2 2.98Å; A102-N105 WeakPolarHBondContact O-CB 3.47Å; A102-N105 PolarHBondContact O-N 3.07Å; M103-N105 VanDerWaalsContact C-N 3.3Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.3Å; N105-A109 PolarHBondContact O-N 2.98Å
106R98.1Very high97.6Very high30 Ų3046.1 Ų46.111%0.11322%0.223CC..Hα-helixtrans-64.3-50176.9-57.9-60.7158.9-90-26.9112.2N94 A102 M103 W104 F108 A109 M110 K125 L185N94-R106 PolarHBondContact OD1-NH1 2.93Å; N94-R106 VanDerWaalsContact OD1-NH1 3.1Å; N94-R106 PolarHBondContact OD1-NH2 3.21Å; A102-R106 PolarHBondContact O-N 3.25Å; A102-R106 VanDerWaalsContact O-N 3.16Å; M103-R106 PolarHBondContact O-N 3.27Å; M103-R106 VanDerWaalsContact O-N 3.15Å; M103-R106 HydrophobicContact SD-CG 4.32Å; W104-R106 VanDerWaalsContact C-N 3.32Å; W104-R106 PolarHBondContact O-N 3.02Å; R106-F108 VanDerWaalsContact C-N 3.32Å; R106-F108 PolarHBondContact O-N 3.22Å; R106-A109 PolarHBondContact O-N 2.99Å; R106-M110 PolarHBondContact O-N 2.72Å; R106-M110 VanDerWaalsContact O-N 3.11Å; R106-K125 VanDerWaalsContact CZ-NZ 3.25Å; R106-L185 HydrophobicContact CB-CD1 4.48Å; R106-L185 HydrophobicContact CB-CD2 4.3Å; R106-L185 HydrophobicContact CG-CD1 4.04Å
107W98.6Very high97.5Very high135 Ų13546 Ų4651%0.51122%0.222SC..Hα-helixtrans-64.4-39.3178.1-69.1121.4000112.1M103 M110 F111 A188M103-W107 PolarHBondContact O-N 3.16Å; M103-W107 VanDerWaalsContact O-N 3.08Å; W107-M110 HydrophobicContact CE3-CE 4.43Å; W107-M110 HydrophobicContact CE3-SD 3.68Å; W107-M110 HydrophobicContact CZ3-CE 4.3Å; W107-M110 HydrophobicContact CZ3-SD 3.64Å; W107-M110 PolarHBondContact O-N 2.94Å; W107-F111 PolarHBondContact O-N 3.46Å; W107-A188 HydrophobicContact CH2-CB 4.01Å; W107-A188 HydrophobicContact CZ3-CB 4.11Å
108F98.7Very high97.3Very high22 Ų2247.5 Ų47.510%0.09623%0.232CC..Hα-helixtrans-67.8-34.7176.6-167.9-114.1000112.9K44 V47 I91 A96 F97 W104 R106 F111 A112K44-F108 HydrophobicContact CB-CE1 4.05Å; K44-F108 HydrophobicContact CB-CE2 4.43Å; K44-F108 HydrophobicContact CB-CZ 3.83Å; K44-F108 WeakPolarHBondContact O-CZ 3.07Å; V47-F108 HydrophobicContact CB-CE1 3.81Å; V47-F108 HydrophobicContact CB-CZ 3.66Å; V47-F108 HydrophobicContact CG1-CE1 3.65Å; V47-F108 HydrophobicContact CG1-CE2 4.4Å; V47-F108 HydrophobicContact CG1-CZ 3.49Å; V47-F108 VanDerWaalsContact CG1-CZ 3.49Å; V47-F108 HydrophobicContact CG2-CE1 4.28Å; I91-F108 HydrophobicContact CD1-CD1 3.59Å; I91-F108 HydrophobicContact CD1-CE1 3.77Å; I91-F108 HydrophobicContact CG1-CD1 4.04Å; I91-F108 HydrophobicContact CG1-CE1 4.34Å; I91-F108 HydrophobicContact CG2-CD1 4.45Å; A96-F108 HydrophobicContact CB-CD1 4.15Å; A96-F108 HydrophobicContact CB-CE1 4.44Å; F97-F108 HydrophobicContact CD2-CB 4.43Å; F97-F108 HydrophobicContact CE2-CB 3.56Å; F97-F108 AromaticContact CE2-CD1 3.8Å; F97-F108 HydrophobicContact CE2-CD1 3.8Å; F97-F108 HydrophobicContact CE2-CD2 4.19Å; F97-F108 AromaticContact CE2-CG 3.58Å; F97-F108 HydrophobicContact CE2-CG 3.58Å; F97-F108 HydrophobicContact CZ-CB 4.34Å; F97-F108 HydrophobicContact CZ-CD1 4.49Å; F97-F108 HydrophobicContact CZ-CD2 4.27Å; F97-F108 HydrophobicContact CZ-CG 4.12Å; W104-F108 WeakPolarHBondContact O-CB 3.46Å; W104-F108 PolarHBondContact O-N 2.84Å; R106-F108 VanDerWaalsContact C-N 3.32Å; R106-F108 PolarHBondContact O-N 3.22Å; F108-F111 HydrophobicContact CD2-CD1 4.08Å; F108-F111 AromaticContact CE2-CD1 3.8Å; F108-F111 HydrophobicContact CE2-CD1 3.8Å; F108-F111 HydrophobicContact CE2-CE1 4.2Å; F108-F111 WeakPolarHBondContact O-CB 2.99Å; F108-F111 PolarHBondContact O-N 3.17Å; F108-A112 WeakPolarHBondContact O-CB 2.94Å; F108-A112 PolarHBondContact O-N 3.34Å
109A98.6Very high97.3Very high6 Ų649 Ų495%0.0524%0.24CC..Hα-helixtrans-63.7-39.9172.400000111.7I91 N105 R106 F111 A112 N113I91-A109 HydrophobicContact CB-CB 4.49Å; I91-A109 HydrophobicContact CG2-CB 3.81Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.3Å; N105-A109 PolarHBondContact O-N 2.98Å; R106-A109 PolarHBondContact O-N 2.99Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 3.25Å; A109-A112 CarbonylContact O-C 3.27Å; A109-A112 PolarHBondContact O-N 3.35Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 2.83Å
110M98.8Very high97.2Very high4 Ų446 Ų462%0.0222%0.22CC..Hα-helixtrans-65-37.5174.1-64.7-179.5-165.400112.2R106 W107 N113 L114 A122 L185 A188 N189R106-M110 PolarHBondContact O-N 2.72Å; R106-M110 VanDerWaalsContact O-N 3.11Å; W107-M110 HydrophobicContact CE3-CE 4.43Å; W107-M110 HydrophobicContact CE3-SD 3.68Å; W107-M110 HydrophobicContact CZ3-CE 4.3Å; W107-M110 HydrophobicContact CZ3-SD 3.64Å; W107-M110 PolarHBondContact O-N 2.94Å; M110-N113 VanDerWaalsContact O-CB 3.27Å; M110-N113 WeakPolarHBondContact O-CB 3.43Å; M110-N113 PolarHBondContact O-N 3.43Å; M110-L114 PolarHBondContact O-N 2.72Å; M110-A122 HydrophobicContact CE-CB 4.47Å; M110-L185 HydrophobicContact CE-CB 4.2Å; M110-L185 HydrophobicContact CE-CD2 3.81Å; M110-L185 WeakPolarHBondContact CE-O 3.43Å; M110-A188 HydrophobicContact CE-CB 4.17Å; M110-A188 HydrophobicContact SD-CB 4.29Å; M110-N189 HydrophobicContact CE-CB 4.05Å; M110-N189 HydrophobicContact CG-CB 4.09Å; M110-N189 HydrophobicContact SD-CB 4.09Å
111F98.7Very high97.3Very high65 Ų6540.8 Ų40.829%0.28518%0.184SC..Hα-helixtrans-63.7-45.1172170.8-101.1000111.9V51 W107 F108 A109 N113 L114V51-F111 HydrophobicContact CB-CE1 3.98Å; V51-F111 HydrophobicContact CB-CZ 3.83Å; V51-F111 HydrophobicContact CG1-CE1 4.12Å; V51-F111 HydrophobicContact CG1-CE2 3.89Å; V51-F111 HydrophobicContact CG1-CZ 3.55Å; V51-F111 HydrophobicContact CG2-CD1 4.27Å; V51-F111 HydrophobicContact CG2-CE1 3.76Å; V51-F111 HydrophobicContact CG2-CZ 4.08Å; W107-F111 PolarHBondContact O-N 3.46Å; F108-F111 HydrophobicContact CD2-CD1 4.08Å; F108-F111 AromaticContact CE2-CD1 3.8Å; F108-F111 HydrophobicContact CE2-CD1 3.8Å; F108-F111 HydrophobicContact CE2-CE1 4.2Å; F108-F111 WeakPolarHBondContact O-CB 2.99Å; F108-F111 PolarHBondContact O-N 3.17Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 3.25Å; F111-N113 PolarHBondContact O-N 3.41Å; F111-L114 HydrophobicContact CD2-CD1 3.99Å; F111-L114 HydrophobicContact CE2-CD1 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.26Å; F111-L114 WeakPolarHBondContact O-CG 3.08Å; F111-L114 PolarHBondContact O-N 3.49Å
112A98.6Very high97.4Very high0 Ų035.1 Ų35.10%017%0.165CC..Hα-helixtrans-63.4-23.9173.500000112.5V47 M84 I88 I91 F108 A109 L114 P115V47-A112 HydrophobicContact CG1-CB 3.67Å; M84-A112 VanDerWaalsContact CE-CA 3.47Å; M84-A112 HydrophobicContact CE-CB 3.64Å; M84-A112 WeakPolarHBondContact CE-O 3.32Å; I88-A112 HydrophobicContact CD1-CB 4.33Å; I88-A112 HydrophobicContact CG1-CB 3.8Å; I91-A112 HydrophobicContact CD1-CB 3.97Å; F108-A112 WeakPolarHBondContact O-CB 2.94Å; F108-A112 PolarHBondContact O-N 3.34Å; A109-A112 CarbonylContact O-C 3.27Å; A109-A112 PolarHBondContact O-N 3.35Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-P115 VanDerWaalsContact O-CD 3.32Å; A112-P115 WeakPolarHBondContact O-CD 3.19Å
113N98.6Very high97.4Very high0 Ų035.5 Ų35.50%017%0.165CC..Hα-helixtrans-73.5-24.6177.9-159.7124.5000112.6I88 A109 M110 F111 P115 I116 L118 Y120 S121 Q193I88-N113 HydrophobicContact CD1-CB 4.07Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 2.83Å; M110-N113 VanDerWaalsContact O-CB 3.27Å; M110-N113 WeakPolarHBondContact O-CB 3.43Å; M110-N113 PolarHBondContact O-N 3.43Å; F111-N113 PolarHBondContact O-N 3.41Å; N113-P115 VanDerWaalsContact C-CD 3.49Å; N113-P115 VanDerWaalsContact C-N 3.33Å; N113-P115 VanDerWaalsContact O-N 3.15Å; N113-I116 WeakPolarHBondContact O-CB 3.42Å; N113-I116 PolarHBondContact O-N 2.84Å; N113-L118 PolarHBondContact ND2-O 3.15Å; N113-Y120 WeakPolarHBondContact OD1-CD1 3.48Å; N113-Y120 PolarHBondContact OD1-N 3.37Å; N113-Y120 VanDerWaalsContact OD1-N 3.13Å; N113-S121 VanDerWaalsContact OD1-CB 3.24Å; N113-S121 WeakPolarHBondContact OD1-CB 3.46Å; N113-S121 PolarHBondContact OD1-N 3.07Å; N113-S121 PolarHBondContact OD1-OG 3.19Å; N113-Q193 PolarHBondContact ND2-OE1 2.84Å; N113-Q193 PolarHBondContact O-OE1 3.01Å
114L98.3Very high97.4Very high18 Ų1833.5 Ų33.59%0.09415%0.154CC..G310 helixtrans-49.8-46.4-172.2-62.2178.1000113.5F55 M110 F111 A112 I116 V192 Q193 F196F55-L114 HydrophobicContact CE1-CB 4.42Å; F55-L114 HydrophobicContact CZ-CD1 4.05Å; M110-L114 PolarHBondContact O-N 2.72Å; F111-L114 HydrophobicContact CD2-CD1 3.99Å; F111-L114 HydrophobicContact CE2-CD1 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.26Å; F111-L114 WeakPolarHBondContact O-CG 3.08Å; F111-L114 PolarHBondContact O-N 3.49Å; A112-L114 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 3.12Å; L114-I116 VanDerWaalsContact O-N 3.15Å; L114-V192 HydrophobicContact CD2-CG1 3.75Å; L114-Q193 PolarHBondContact O-NE2 3.38Å; L114-F196 HydrophobicContact CB-CD1 4.1Å; L114-F196 HydrophobicContact CB-CE1 4.12Å; L114-F196 HydrophobicContact CB-CG 4.3Å; L114-F196 HydrophobicContact CB-CZ 4.35Å; L114-F196 HydrophobicContact CD1-CD2 4.28Å; L114-F196 HydrophobicContact CD2-CB 3.75Å; L114-F196 HydrophobicContact CD2-CD1 4.24Å; L114-F196 HydrophobicContact CD2-CD2 4.24Å; L114-F196 HydrophobicContact CD2-CG 3.81Å; L114-F196 HydrophobicContact CG-CG 4.47Å; L114-F196 WeakPolarHBondContact O-CE1 3.47Å
115P96.8Very high97.3Very high0 Ų027.6 Ų27.60%013%0.132CC..G310 helixtrans-71.5-3.8-179.1-18.734.8000115.9V51 Q54 F58 N81 M84 A112 N113 M212V51-P115 HydrophobicContact CB-CG 4.36Å; V51-P115 HydrophobicContact CG1-CG 4.25Å; V51-P115 HydrophobicContact CG2-CG 3.99Å; Q54-P115 HydrophobicContact CB-CB 3.77Å; Q54-P115 HydrophobicContact CB-CG 4.04Å; Q54-P115 HydrophobicContact CG-CB 3.83Å; Q54-P115 HydrophobicContact CG-CG 4.37Å; F58-P115 HydrophobicContact CZ-CB 4.22Å; N81-P115 PolarHBondContact ND2-O 3.18Å; N81-P115 PolarHBondContact OD1-O 3.19Å; M84-P115 HydrophobicContact CE-CG 4.47Å; A112-P115 VanDerWaalsContact O-CD 3.32Å; A112-P115 WeakPolarHBondContact O-CD 3.19Å; N113-P115 VanDerWaalsContact C-CD 3.49Å; N113-P115 VanDerWaalsContact C-N 3.33Å; N113-P115 VanDerWaalsContact O-N 3.15Å; P115-M212 VanDerWaalsContact O-CG 3.24Å; P115-M212 WeakPolarHBondContact O-CG 3.28Å
116I96.7Very high97.2Very high2 Ų229 Ų291%0.0114%0.138CC..G310 helixtrans-91.5-26.7-177.4-65.8169.8000111.3M84 T85 I88 N113 L114 L118 Y120 S216M84-I116 HydrophobicContact CB-CD1 4.17Å; M84-I116 HydrophobicContact CB-CG1 4.36Å; T85-I116 HydrophobicContact CG2-CD1 3.7Å; T85-I116 HydrophobicContact CG2-CG1 4.45Å; I88-I116 HydrophobicContact CD1-CD1 3.57Å; N113-I116 WeakPolarHBondContact O-CB 3.42Å; N113-I116 PolarHBondContact O-N 2.84Å; L114-I116 PolarHBondContact O-N 3.12Å; L114-I116 VanDerWaalsContact O-N 3.15Å; I116-L118 VanDerWaalsContact C-N 3.27Å; I116-L118 PolarHBondContact O-N 3.4Å; I116-Y120 HydrophobicContact CD1-CE1 3.52Å; I116-Y120 HydrophobicContact CG2-CD1 4.31Å; I116-Y120 HydrophobicContact CG2-CE1 4.22Å; I116-S216 WeakPolarHBondContact CA-OG 3.49Å; I116-S216 PolarHBondContact O-OG 3.27Å
117G95.5Very high97.2Very high1 Ų128.8 Ų28.81%0.0114%0.137CC..SBendtrans82.1-9176.900000115.6Q193 N197G117-Q193 VanDerWaalsContact CA-NE2 3.32Å; G117-N197 PolarHBondContact O-ND2 3.27Å
118L95.1Very high97.2Very high73 Ų7323.3 Ų23.338%0.38212%0.117SC..SBendtrans-124.7129.4179.7-66175.7000111N113 I116 Y120 M213N113-L118 PolarHBondContact ND2-O 3.15Å; I116-L118 VanDerWaalsContact C-N 3.27Å; I116-L118 PolarHBondContact O-N 3.4Å; L118-Y120 PolarHBondContact O-N 3.38Å; L118-M213 HydrophobicContact CD2-CE 4.02Å
119P95.2Very high97.1Very high41 Ų4123.7 Ų23.727%0.26612%0.12SC..  trans-78.383.7-172.931-34.5000112.1N189 V190 Q193P119-N189 HydrophobicContact CB-CB 4.47Å; P119-V190 HydrophobicContact CB-CB 4.38Å; P119-V190 HydrophobicContact CB-CG2 3.95Å; P119-V190 HydrophobicContact CG-CB 4.34Å; P119-V190 HydrophobicContact CG-CG2 3.75Å; P119-Q193 HydrophobicContact CB-CB 3.77Å; P119-Q193 HydrophobicContact CB-CG 4.24Å; P119-Q193 HydrophobicContact CG-CB 4.44Å
120Y94.3Very high97Very high53 Ų5323.4 Ų23.421%0.20812%0.117CC..  trans-116.8-20.2-172.890.7-68.2000114.2T85 I88 N113 I116 L118 A122 S123 F124T85-Y120 WeakPolarHBondContact CA-OH 3.49Å; T85-Y120 WeakPolarHBondContact CB-OH 3.49Å; T85-Y120 HydrophobicContact CG2-CE1 4.48Å; T85-Y120 PolarHBondContact O-OH 3.49Å; I88-Y120 WeakPolarHBondContact CB-OH 3.38Å; I88-Y120 HydrophobicContact CD1-CE1 3.63Å; I88-Y120 WeakPolarHBondContact CD1-OH 3.25Å; N113-Y120 WeakPolarHBondContact OD1-CD1 3.48Å; N113-Y120 PolarHBondContact OD1-N 3.37Å; N113-Y120 VanDerWaalsContact OD1-N 3.13Å; I116-Y120 HydrophobicContact CD1-CE1 3.52Å; I116-Y120 HydrophobicContact CG2-CD1 4.31Å; I116-Y120 HydrophobicContact CG2-CE1 4.22Å; L118-Y120 PolarHBondContact O-N 3.38Å; Y120-A122 VanDerWaalsContact C-N 3.31Å; Y120-A122 PolarHBondContact O-N 3.5Å; Y120-A122 VanDerWaalsContact O-N 3.16Å; Y120-S123 PolarHBondContact O-N 3.41Å; Y120-F124 HydrophobicContact CD2-CB 3.6Å; Y120-F124 HydrophobicContact CD2-CD2 4.02Å; Y120-F124 HydrophobicContact CD2-CG 4.04Å; Y120-F124 HydrophobicContact CE2-CB 3.71Å; Y120-F124 AromaticContact CE2-CD2 3.61Å; Y120-F124 HydrophobicContact CE2-CD2 3.61Å; Y120-F124 HydrophobicContact CE2-CE2 4.43Å; Y120-F124 AromaticContact CE2-CG 3.67Å; Y120-F124 HydrophobicContact CE2-CG 3.67Å; Y120-F124 WeakPolarHBondContact O-CB 3.5Å; Y120-F124 PolarHBondContact O-N 3.01Å
121S97.4Very high96.9Very high5 Ų523.8 Ų23.84%0.03512%0.119CC..Hα-helixtrans-55.8-37.6-171.668.10000115N113 K125 N189N113-S121 VanDerWaalsContact OD1-CB 3.24Å; N113-S121 WeakPolarHBondContact OD1-CB 3.46Å; N113-S121 PolarHBondContact OD1-N 3.07Å; N113-S121 PolarHBondContact OD1-OG 3.19Å; S121-K125 PolarHBondContact O-N 3.01Å; S121-N189 PolarHBondContact N-OD1 3.44Å; S121-N189 VanDerWaalsContact N-OD1 3.1Å; S121-N189 PolarHBondContact OG-OD1 3.2Å
122A97.4Very high96.8Very high11 Ų1121.5 Ų21.59%0.09111%0.109CC..Hα-helixtrans-67.9-50.7178.900000111.8M110 Y120 L185 E186 N189M110-A122 HydrophobicContact CE-CB 4.47Å; Y120-A122 VanDerWaalsContact C-N 3.31Å; Y120-A122 PolarHBondContact O-N 3.5Å; Y120-A122 VanDerWaalsContact O-N 3.16Å; A122-L185 HydrophobicContact CB-CB 4.3Å; A122-E186 HydrophobicContact CB-CG 4.16Å; A122-N189 HydrophobicContact CB-CB 3.97Å; A122-N189 PolarHBondContact N-OD1 3.05Å
123S96.6Very high96.6Very high40 Ų4026.6 Ų26.628%0.2813%0.128SC..Hα-helixtrans-68.9-41.4179-57.70000111.9Y120 K125 R126 Y127 E186Y120-S123 PolarHBondContact O-N 3.41Å; S123-K125 VanDerWaalsContact C-N 3.29Å; S123-K125 PolarHBondContact O-N 3.14Å; S123-R126 PolarHBondContact O-N 2.97Å; S123-Y127 VanDerWaalsContact O-CD2 3.26Å; S123-Y127 WeakPolarHBondContact O-CD2 3.5Å; S123-Y127 PolarHBondContact O-N 2.89Å; S123-E186 VanDerWaalsContact OG-CG 3.26Å; S123-E186 WeakPolarHBondContact OG-CG 3.49Å
124F97.2Very high96.4Very high55 Ų5528.4 Ų28.424%0.24114%0.135CC..Hα-helixtrans-49.3-51.9179.1174.5-92.9000111I88 H89 Y120 R126 Y127 H128I88-F124 HydrophobicContact CG2-CD1 4.15Å; H89-F124 HydrophobicContact CB-CE1 4.1Å; H89-F124 HydrophobicContact CB-CZ 4.09Å; Y120-F124 HydrophobicContact CD2-CB 3.6Å; Y120-F124 HydrophobicContact CD2-CD2 4.02Å; Y120-F124 HydrophobicContact CD2-CG 4.04Å; Y120-F124 HydrophobicContact CE2-CB 3.71Å; Y120-F124 AromaticContact CE2-CD2 3.61Å; Y120-F124 HydrophobicContact CE2-CD2 3.61Å; Y120-F124 HydrophobicContact CE2-CE2 4.43Å; Y120-F124 AromaticContact CE2-CG 3.67Å; Y120-F124 HydrophobicContact CE2-CG 3.67Å; Y120-F124 WeakPolarHBondContact O-CB 3.5Å; Y120-F124 PolarHBondContact O-N 3.01Å; F124-R126 VanDerWaalsContact C-N 3.27Å; F124-R126 PolarHBondContact O-N 2.95Å; F124-Y127 PolarHBondContact O-N 3.46Å; F124-H128 HydrophobicContact CD1-CB 4.18Å; F124-H128 HydrophobicContact CE1-CB 3.72Å; F124-H128 AromaticContact CE1-CD2 3.96Å; F124-H128 AromaticContact CE1-CG 3.7Å; F124-H128 HydrophobicContact CE2-CB 4.36Å; F124-H128 HydrophobicContact CZ-CB 3.84Å; F124-H128 AromaticContact CZ-CG 3.65Å; F124-H128 AromaticContact CZ-ND1 3.82Å; F124-H128 WeakPolarHBondContact O-CB 3.33Å; F124-H128 PolarHBondContact O-N 3.38Å
125K97Very high96.3Very high18 Ų1827.7 Ų27.78%0.07813%0.132CC..Hα-helixtrans-53.9-45.4-179.3171.1-178.7166.894.20112.2S92 R106 S121 S123 H128 L129S92-K125 PolarHBondContact O-NZ 2.92Å; R106-K125 VanDerWaalsContact CZ-NZ 3.25Å; S121-K125 PolarHBondContact O-N 3.01Å; S123-K125 VanDerWaalsContact C-N 3.29Å; S123-K125 PolarHBondContact O-N 3.14Å; K125-H128 PolarHBondContact O-N 3.29Å; K125-L129 HydrophobicContact CG-CD1 4.08Å; K125-L129 HydrophobicContact CG-CG 4.19Å; K125-L129 WeakPolarHBondContact O-CB 3.05Å; K125-L129 VanDerWaalsContact O-CG 3.31Å; K125-L129 WeakPolarHBondContact O-CG 3.24Å; K125-L129 PolarHBondContact O-N 2.66Å
126R96.1Very high96.2Very high31 Ų3127.7 Ų27.712%0.11713%0.132CC..Hα-helixtrans-65.2-49-173.5-64.5176.265.5-159.3-3.9110.3S123 F124 D130 K180 P181 E186 E323S123-R126 PolarHBondContact O-N 2.97Å; F124-R126 VanDerWaalsContact C-N 3.27Å; F124-R126 PolarHBondContact O-N 2.95Å; R126-D130 PolarHBondContact O-N 3.3Å; R126-K180 HydrophobicContact CB-CD 3.92Å; R126-P181 PolarHBondContact NH1-O 3.2Å; R126-E186 VanDerWaalsContact CD-OE1 3.29Å; R126-E186 WeakPolarHBondContact CD-OE1 3.3Å; R126-E186 IonicContact CZ-OE1 3.76Å; R126-E186 IonicContact NH1-OE1 3.33Å; R126-E186 PolarHBondContact NH1-OE1 2.87Å; R126-E323 HydrophobicContact CB-CB 4.29Å; R126-E323 PolarHBondContact NE-O 3.11Å; R126-E323 PolarHBondContact NE-OXT 3.23Å; R126-E323 VanDerWaalsContact NE-OXT 3.07Å; R126-E323 PolarHBondContact NH2-O 2.65Å
127Y97.6Very high96.2Very high25 Ų2527.6 Ų27.610%0.09813%0.132CC..Hα-helixtrans-64.6-39.9176.1-69.1-64.9000112.5S123 F124 D130 H131 V142 P174 N178 K180S123-Y127 VanDerWaalsContact O-CD2 3.26Å; S123-Y127 WeakPolarHBondContact O-CD2 3.5Å; S123-Y127 PolarHBondContact O-N 2.89Å; F124-Y127 PolarHBondContact O-N 3.46Å; Y127-D130 PolarHBondContact O-N 3.43Å; Y127-H131 WeakPolarHBondContact O-CB 3.44Å; Y127-H131 PolarHBondContact O-N 2.7Å; Y127-V142 HydrophobicContact CD1-CB 4.36Å; Y127-V142 HydrophobicContact CD1-CG1 3.81Å; Y127-V142 HydrophobicContact CD1-CG2 3.59Å; Y127-V142 HydrophobicContact CE1-CG1 3.99Å; Y127-V142 HydrophobicContact CE1-CG2 4.42Å; Y127-V142 HydrophobicContact CG-CG2 3.82Å; Y127-P174 HydrophobicContact CD1-CB 4.18Å; Y127-P174 HydrophobicContact CD2-CB 4.07Å; Y127-P174 HydrophobicContact CE1-CB 3.87Å; Y127-P174 HydrophobicContact CE2-CB 3.76Å; Y127-P174 HydrophobicContact CG-CB 4.27Å; Y127-N178 HydrophobicContact CE1-CB 4.49Å; Y127-N178 VanDerWaalsContact CE1-O 3.23Å; Y127-N178 WeakPolarHBondContact CE1-O 3.19Å; Y127-N178 PolarHBondContact OH-O 3.28Å; Y127-N178 VanDerWaalsContact OH-O 3.09Å; Y127-K180 HydrophobicContact CD1-CD 3.96Å; Y127-K180 HydrophobicContact CD2-CD 4.5Å; Y127-K180 HydrophobicContact CE1-CD 3.55Å; Y127-K180 HydrophobicContact CE1-CG 3.77Å; Y127-K180 HydrophobicContact CE2-CD 4.15Å; Y127-K180 HydrophobicContact CG-CD 4.42Å; Y127-K180 PolarHBondContact OH-N 3.24Å; Y127-K180 VanDerWaalsContact OH-N 3.14Å
128H97.6Very high96.2Very high20 Ų2031.1 Ų31.19%0.09315%0.15CC..Hα-helixtrans-66.1-40.5-179.6-174.658.6000113H89 S92 H93 F124 K125 H131 H132H89-H128 AromaticContact CD2-CD2 3.92Å; H89-H128 AromaticContact CD2-CE1 3.2Å; H89-H128 PolarHBondContact CD2-CE1 3.48Å; H89-H128 AromaticContact CD2-NE2 3.06Å; H89-H128 PolarHBondContact CD2-NE2 3.31Å; H89-H128 AromaticContact NE2-CE1 3.29Å; H89-H128 PolarHBondContact NE2-CE1 3.14Å; H89-H128 VanDerWaalsContact NE2-CE1 3.29Å; H89-H128 AromaticContact NE2-NE2 3.09Å; H89-H128 PolarHBondContact NE2-NE2 3.38Å; S92-H128 PolarHBondContact OG-CD2 2.98Å; H93-H128 AromaticContact CE1-CD2 3.8Å; H93-H128 AromaticContact CE1-NE2 3.5Å; H93-H128 AromaticContact NE2-CD2 3.41Å; H93-H128 PolarHBondContact NE2-CD2 2.85Å; H93-H128 AromaticContact NE2-NE2 2.89Å; H93-H128 PolarHBondContact NE2-NE2 3.47Å; F124-H128 HydrophobicContact CD1-CB 4.18Å; F124-H128 HydrophobicContact CE1-CB 3.72Å; F124-H128 AromaticContact CE1-CD2 3.96Å; F124-H128 AromaticContact CE1-CG 3.7Å; F124-H128 HydrophobicContact CE2-CB 4.36Å; F124-H128 HydrophobicContact CZ-CB 3.84Å; F124-H128 AromaticContact CZ-CG 3.65Å; F124-H128 AromaticContact CZ-ND1 3.82Å; F124-H128 WeakPolarHBondContact O-CB 3.33Å; F124-H128 PolarHBondContact O-N 3.38Å; K125-H128 PolarHBondContact O-N 3.29Å; H128-H131 WeakPolarHBondContact O-CB 3.43Å; H128-H131 PolarHBondContact O-N 2.82Å; H128-H132 AromaticContact CD2-CD2 3.83Å; H128-H132 AromaticContact CD2-NE2 3.99Å; H128-H132 AromaticContact CE1-CD2 3.45Å; H128-H132 PolarHBondContact CE1-CD2 3.06Å; H128-H132 VanDerWaalsContact CE1-CD2 3.45Å; H128-H132 AromaticContact CE1-NE2 3.1Å; H128-H132 PolarHBondContact CE1-NE2 3.05Å; H128-H132 AromaticContact NE2-CD2 3.29Å; H128-H132 PolarHBondContact NE2-CD2 3.01Å; H128-H132 VanDerWaalsContact NE2-CD2 3.29Å; H128-H132 AromaticContact NE2-NE2 3Å; H128-H132 PolarHBondContact NE2-NE2 2.9Å; H128-H132 PolarHBondContact O-CD2 2.83Å; H128-H132 PolarHBondContact O-N 2.7Å
129L96.5Very high96.1Very high29 Ų2929.3 Ų29.315%0.15215%0.149CC..Hα-helixtrans-68.1-37.2174.5-71.4-172.3000112.4K125 H131 H132 R133 E323K125-L129 HydrophobicContact CG-CD1 4.08Å; K125-L129 HydrophobicContact CG-CG 4.19Å; K125-L129 WeakPolarHBondContact O-CB 3.05Å; K125-L129 VanDerWaalsContact O-CG 3.31Å; K125-L129 WeakPolarHBondContact O-CG 3.24Å; K125-L129 PolarHBondContact O-N 2.66Å; L129-H131 VanDerWaalsContact C-N 3.32Å; L129-H132 PolarHBondContact O-N 2.91Å; L129-R133 WeakPolarHBondContact O-CB 3.36Å; L129-R133 PolarHBondContact O-N 3.28Å; L129-E323 HydrophobicContact CB-CG 3.8Å; L129-E323 HydrophobicContact CD1-CG 3.96Å
130D96.3Very high96.1Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-63.4-40.8172.3-71.4-16.6000111R126 Y127 H132 R133 Y134 V140 K180 L322 E323R126-D130 PolarHBondContact O-N 3.3Å; Y127-D130 PolarHBondContact O-N 3.43Å; D130-H132 PolarHBondContact O-N 2.94Å; D130-R133 PolarHBondContact O-N 3.29Å; D130-Y134 WeakPolarHBondContact O-CA 3.48Å; D130-Y134 WeakPolarHBondContact O-CB 3.24Å; D130-Y134 PolarHBondContact O-N 2.87Å; D130-V140 HydrophobicContact CB-CG1 4.26Å; D130-K180 WeakPolarHBondContact OD2-CE 3.4Å; D130-K180 IonicContact OD2-NZ 2.92Å; D130-K180 PolarHBondContact OD2-NZ 3.33Å; D130-L322 WeakPolarHBondContact OD1-CA 3.19Å; D130-L322 WeakPolarHBondContact OD2-CD2 3.33Å; D130-E323 PolarHBondContact OD1-N 3.46Å
131H96.8Very high96.2Very high12 Ų1225.7 Ų25.76%0.05613%0.132CC..Hα-helixtrans-58.8-45.6174.6168.577.4000112.2Y127 H128 L129 R133 L135 D141 D143 H233 H263Y127-H131 WeakPolarHBondContact O-CB 3.44Å; Y127-H131 PolarHBondContact O-N 2.7Å; H128-H131 WeakPolarHBondContact O-CB 3.43Å; H128-H131 PolarHBondContact O-N 2.82Å; L129-H131 VanDerWaalsContact C-N 3.32Å; H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 2.98Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.43Å; H131-L135 WeakPolarHBondContact O-CA 3.23Å; H131-L135 WeakPolarHBondContact O-CB 3.49Å; H131-L135 PolarHBondContact O-N 3.14Å; H131-D141 IonicContact CE1-OD1 2.73Å; H131-D141 IonicContact CE1-OD2 3.3Å; H131-D141 IonicContact CG-OD1 2.74Å; H131-D141 VanDerWaalsContact ND1-CG 3.26Å; H131-D141 IonicContact ND1-OD1 3.45Å; H131-D141 PolarHBondContact ND1-OD1 3.43Å; H131-D141 IonicContact ND1-OD2 3.86Å; H131-D141 PolarHBondContact ND1-OD2 2.72Å; H131-D141 VanDerWaalsContact ND1-OD2 3.11Å; H131-D143 IonicContact CE1-OD2 3.42Å; H131-H233 AromaticContact CE1-CD2 3.4Å; H131-H233 PolarHBondContact CE1-CD2 3.36Å; H131-H233 VanDerWaalsContact CE1-CD2 3.4Å; H131-H233 AromaticContact CE1-NE2 3.41Å; H131-H233 PolarHBondContact CE1-NE2 2.6Å; H131-H233 AromaticContact NE2-CD2 3.43Å; H131-H233 PolarHBondContact NE2-CD2 2.89Å; H131-H233 AromaticContact NE2-CE1 3.99Å; H131-H233 AromaticContact NE2-NE2 3.04Å; H131-H233 PolarHBondContact NE2-NE2 2.96Å; H131-H263 AromaticContact CD2-CE1 3.79Å; H131-H263 AromaticContact NE2-CE1 3.35Å; H131-H263 PolarHBondContact NE2-CE1 3.13Å; H131-H263 VanDerWaalsContact NE2-CE1 3.35Å; H131-H263 AromaticContact NE2-NE2 3.69Å
132H96.6Very high96.2Very high17 Ų1726 Ų268%0.07913%0.133CC..Hα-helixtrans-64.7-35.1174.2-83.2-70.6000113.7Q17 H93 H128 L129 D130 H262 H263Q17-H132 PolarHBondContact NE2-O 3.33Å; H93-H132 AromaticContact CE1-CD2 3.43Å; H93-H132 PolarHBondContact CE1-CD2 2.81Å; H93-H132 VanDerWaalsContact CE1-CD2 3.43Å; H93-H132 AromaticContact CE1-NE2 3.39Å; H93-H132 PolarHBondContact CE1-NE2 2.86Å; H93-H132 AromaticContact NE2-CD2 3.92Å; H93-H132 AromaticContact NE2-NE2 3.5Å; H93-H132 PolarHBondContact NE2-NE2 2.83Å; H128-H132 AromaticContact CD2-CD2 3.83Å; H128-H132 AromaticContact CD2-NE2 3.99Å; H128-H132 AromaticContact CE1-CD2 3.45Å; H128-H132 PolarHBondContact CE1-CD2 3.06Å; H128-H132 VanDerWaalsContact CE1-CD2 3.45Å; H128-H132 AromaticContact CE1-NE2 3.1Å; H128-H132 PolarHBondContact CE1-NE2 3.05Å; H128-H132 AromaticContact NE2-CD2 3.29Å; H128-H132 PolarHBondContact NE2-CD2 3.01Å; H128-H132 VanDerWaalsContact NE2-CD2 3.29Å; H128-H132 AromaticContact NE2-NE2 3Å; H128-H132 PolarHBondContact NE2-NE2 2.9Å; H128-H132 PolarHBondContact O-CD2 2.83Å; H128-H132 PolarHBondContact O-N 2.7Å; L129-H132 PolarHBondContact O-N 2.91Å; D130-H132 PolarHBondContact O-N 2.94Å; H132-H262 AromaticContact CE1-CD2 3.35Å; H132-H262 PolarHBondContact CE1-CD2 3.37Å; H132-H262 AromaticContact CE1-NE2 3.08Å; H132-H262 PolarHBondContact CE1-NE2 3.09Å; H132-H262 AromaticContact NE2-CD2 3.74Å; H132-H262 AromaticContact NE2-CE1 3.94Å; H132-H262 AromaticContact NE2-NE2 3.03Å; H132-H262 PolarHBondContact NE2-NE2 3.08Å; H132-H263 AromaticContact CE1-CD2 3.5Å; H132-H263 PolarHBondContact CE1-CD2 2.95Å; H132-H263 VanDerWaalsContact CE1-CD2 3.5Å; H132-H263 AromaticContact CE1-CE1 3.51Å; H132-H263 AromaticContact CE1-CG 3.75Å; H132-H263 AromaticContact CE1-ND1 3.76Å; H132-H263 AromaticContact CE1-NE2 3.29Å; H132-H263 PolarHBondContact CE1-NE2 2.97Å; H132-H263 VanDerWaalsContact CE1-NE2 3.29Å; H132-H263 AromaticContact ND1-CD2 3.84Å; H132-H263 AromaticContact ND1-CE1 3.36Å; H132-H263 PolarHBondContact ND1-CE1 3.1Å; H132-H263 AromaticContact ND1-CG 3.63Å; H132-H263 AromaticContact ND1-ND1 3.32Å; H132-H263 PolarHBondContact ND1-ND1 3.02Å; H132-H263 AromaticContact ND1-NE2 3.64Å
133R94.4Very high96.1Very high107 Ų10726.4 Ų26.440%0.40413%0.134SC..Hα-helixtrans-78.5-41.4-176.9-172.8176.9-67.8161.37.7111.9Q17 L129 D130 H131 K321 E323Q17-R133 PolarHBondContact NE2-O 2.92Å; Q17-R133 VanDerWaalsContact NE2-O 3.08Å; L129-R133 WeakPolarHBondContact O-CB 3.36Å; L129-R133 PolarHBondContact O-N 3.28Å; D130-R133 PolarHBondContact O-N 3.29Å; H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 2.98Å; R133-K321 PolarHBondContact NH1-O 3.14Å; R133-E323 IonicContact CZ-OE1 2.72Å; R133-E323 IonicContact NH1-OE1 2.7Å; R133-E323 IonicContact NH2-OE1 2.74Å; R133-E323 PolarHBondContact NH2-OE1 3.36Å
134Y94.8Very high96.1Very high38 Ų3824.8 Ų24.815%0.14912%0.122CC..SBendtrans-124.440.4-171.3-56.8-65.3000111.2D130 G136 G137 V140 L316 V320 K321 L322D130-Y134 WeakPolarHBondContact O-CA 3.48Å; D130-Y134 WeakPolarHBondContact O-CB 3.24Å; D130-Y134 PolarHBondContact O-N 2.87Å; Y134-G136 PolarHBondContact O-N 3.13Å; Y134-G137 WeakPolarHBondContact O-CA 3.31Å; Y134-G137 PolarHBondContact O-N 3.2Å; Y134-V140 HydrophobicContact CD2-CG1 3.73Å; Y134-V140 HydrophobicContact CG-CG1 4.04Å; Y134-L316 HydrophobicContact CD1-CD1 4.04Å; Y134-L316 HydrophobicContact CD1-CD2 3.98Å; Y134-L316 HydrophobicContact CG-CD1 4.2Å; Y134-V320 HydrophobicContact CD2-CG1 4.2Å; Y134-V320 HydrophobicContact CE1-CG1 4.37Å; Y134-V320 HydrophobicContact CE2-CG1 3.77Å; Y134-K321 WeakPolarHBondContact CE2-O 3.35Å; Y134-K321 PolarHBondContact OH-N 3.32Å; Y134-K321 PolarHBondContact OH-O 3.09Å; Y134-L322 HydrophobicContact CE2-CD2 4.46Å
135L95.6Very high96.1Very high3 Ų322.3 Ų22.32%0.01611%0.112CC..THydrogen-bonded Turntrans-44.4133.7177.7178.364.2000109.5Q17 H131 G137 R314Q17-L135 HydrophobicContact CB-CB 4.21Å; Q17-L135 HydrophobicContact CB-CD2 4.47Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.43Å; H131-L135 WeakPolarHBondContact O-CA 3.23Å; H131-L135 WeakPolarHBondContact O-CB 3.49Å; H131-L135 PolarHBondContact O-N 3.14Å; L135-G137 PolarHBondContact O-N 2.92Å; L135-G137 VanDerWaalsContact O-N 3.08Å; L135-R314 VanDerWaalsContact O-CD 3.27Å; L135-R314 WeakPolarHBondContact O-CD 3.4Å; L135-R314 PolarHBondContact O-NH1 3.41Å
136G95.8Very high96Very high1 Ų123.1 Ų23.11%0.0112%0.118CC..THydrogen-bonded Turntrans67.60.5-17900000115.5Y134 D138 D141 K313 R314Y134-G136 PolarHBondContact O-N 3.13Å; G136-D138 PolarHBondContact O-N 3.06Å; G136-D141 PolarHBondContact N-OD2 3.48Å; G136-K313 CarbonylContact O-C 3.6Å; G136-K313 VanDerWaalsContact O-CA 3.29Å; G136-K313 WeakPolarHBondContact O-CA 3.38Å; G136-R314 WeakPolarHBondContact O-CG 3.24Å; G136-R314 PolarHBondContact O-N 3.25Å
137G96.4Very high96Very high0 Ų027.9 Ų27.90%014%0.142CC..BIsolated β-bridgetrans-67.9117.7-174.600000112.3Y134 L135 G139 V140 D141Y134-G137 WeakPolarHBondContact O-CA 3.31Å; Y134-G137 PolarHBondContact O-N 3.2Å; L135-G137 PolarHBondContact O-N 2.92Å; L135-G137 VanDerWaalsContact O-N 3.08Å; G137-G139 PolarHBondContact O-N 2.84Å; G137-V140 PolarHBondContact O-N 3.45Å; G137-V140 VanDerWaalsContact O-N 3.09Å; G137-D141 PolarHBondContact O-N 2.95Å
138D95.3Very high96Very high74 Ų7432.1 Ų32.140%0.39616%0.161SC..THydrogen-bonded Turntrans-59.8133.9-180-172.134.3000112.1W12 G136 V140 K313 R314W12-D138 HydrophobicContact CH2-CB 4.08Å; W12-D138 HydrophobicContact CZ3-CB 4.09Å; G136-D138 PolarHBondContact O-N 3.06Å; D138-V140 PolarHBondContact O-N 3.47Å; D138-K313 WeakPolarHBondContact OD1-CE 3.42Å; D138-K313 IonicContact OD1-NZ 2.84Å; D138-K313 PolarHBondContact OD1-NZ 3.11Å; D138-R314 PolarHBondContact N-O 3.2Å
139G94.3Very high95.9Very high36 Ų3631.3 Ų31.337%0.37116%0.157SC..THydrogen-bonded Turntrans69.40.3-176.200000115.8G137 N178G137-G139 PolarHBondContact O-N 2.84Å; G139-N178 WeakPolarHBondContact O-CB 3.49Å
140V95.1Very high95.9Very high14 Ų1430 Ų309%0.08515%0.15CC..THydrogen-bonded Turntrans-122-50.9-177.2176.70000111.9D130 Y134 G137 D138 V142 L316 V320 L322D130-V140 HydrophobicContact CB-CG1 4.26Å; Y134-V140 HydrophobicContact CD2-CG1 3.73Å; Y134-V140 HydrophobicContact CG-CG1 4.04Å; G137-V140 PolarHBondContact O-N 3.45Å; G137-V140 VanDerWaalsContact O-N 3.09Å; D138-V140 PolarHBondContact O-N 3.47Å; V140-V142 PolarHBondContact O-N 2.72Å; V140-V142 VanDerWaalsContact O-N 3.1Å; V140-L316 HydrophobicContact CB-CD1 3.91Å; V140-L316 HydrophobicContact CG1-CD1 4.45Å; V140-L316 HydrophobicContact CG2-CD1 3.51Å; V140-V320 HydrophobicContact CG1-CG1 4.35Å; V140-V320 HydrophobicContact CG2-CG1 3.91Å; V140-L322 HydrophobicContact CG1-CD2 3.59Å; V140-L322 HydrophobicContact CG2-CD2 4.38Å
141D96.2Very high95.9Very high3 Ų336.4 Ų36.42%0.01618%0.175CC..  trans-77.196.9178-175.12.9000110.2H131 G136 G137 D143 I144H131-D141 IonicContact CE1-OD1 2.73Å; H131-D141 IonicContact CE1-OD2 3.3Å; H131-D141 IonicContact CG-OD1 2.74Å; H131-D141 VanDerWaalsContact ND1-CG 3.26Å; H131-D141 IonicContact ND1-OD1 3.45Å; H131-D141 PolarHBondContact ND1-OD1 3.43Å; H131-D141 IonicContact ND1-OD2 3.86Å; H131-D141 PolarHBondContact ND1-OD2 2.72Å; H131-D141 VanDerWaalsContact ND1-OD2 3.11Å; G136-D141 PolarHBondContact N-OD2 3.48Å; G137-D141 PolarHBondContact O-N 2.95Å; D141-D143 PolarHBondContact O-N 3.44Å; D141-D143 VanDerWaalsContact OD1-CB 3.24Å; D141-D143 WeakPolarHBondContact OD1-CB 3.19Å; D141-D143 PolarHBondContact OD1-N 3.28Å; D141-I144 HydrophobicContact CB-CD1 4.14Å; D141-I144 HydrophobicContact CB-CG1 4.36Å; D141-I144 PolarHBondContact O-N 2.91Å
142V95.9Very high95.8Very high12 Ų1239.1 Ų39.17%0.07319%0.186CC..THydrogen-bonded Turntrans-76.3-2.8-178.8-56.40000113.2Y127 V140 I144 R173 P174 I177 N178Y127-V142 HydrophobicContact CD1-CB 4.36Å; Y127-V142 HydrophobicContact CD1-CG1 3.81Å; Y127-V142 HydrophobicContact CD1-CG2 3.59Å; Y127-V142 HydrophobicContact CE1-CG1 3.99Å; Y127-V142 HydrophobicContact CE1-CG2 4.42Å; Y127-V142 HydrophobicContact CG-CG2 3.82Å; V140-V142 PolarHBondContact O-N 2.72Å; V140-V142 VanDerWaalsContact O-N 3.1Å; V142-I144 VanDerWaalsContact C-N 3.27Å; V142-R173 WeakPolarHBondContact O-CD 3.38Å; V142-P174 HydrophobicContact CB-CB 4.04Å; V142-P174 HydrophobicContact CB-CG 4.09Å; V142-P174 HydrophobicContact CG1-CB 4.16Å; V142-P174 HydrophobicContact CG2-CB 3.96Å; V142-P174 HydrophobicContact CG2-CG 3.83Å; V142-I177 HydrophobicContact CG1-CB 4.17Å; V142-I177 HydrophobicContact CG1-CG2 4.18Å; V142-N178 HydrophobicContact CG1-CB 3.74Å
143D95.4Very high95.9Very high20 Ų2038.8 Ų38.811%0.10719%0.185CC..THydrogen-bonded Turntrans-73.1-23.5174.1-173.359.3000111.9H131 D141 Y170 R173 H233 R311H131-D143 IonicContact CE1-OD2 3.42Å; D141-D143 PolarHBondContact O-N 3.44Å; D141-D143 VanDerWaalsContact OD1-CB 3.24Å; D141-D143 WeakPolarHBondContact OD1-CB 3.19Å; D141-D143 PolarHBondContact OD1-N 3.28Å; D143-Y170 WeakPolarHBondContact OD1-CE1 3.47Å; D143-Y170 PolarHBondContact OD1-OH 3.38Å; D143-R173 PolarHBondContact O-NH1 2.8Å; D143-H233 IonicContact OD2-CD2 3.78Å; D143-R311 PolarHBondContact O-NH1 2.97Å; D143-R311 VanDerWaalsContact O-NH1 3.14Å; D143-R311 IonicContact OD2-CZ 3.39Å; D143-R311 IonicContact OD2-NH1 3.77Å; D143-R311 PolarHBondContact OD2-NH1 3.19Å; D143-R311 IonicContact OD2-NH2 3.58Å; D143-R311 PolarHBondContact OD2-NH2 3.07Å
144I96.6Very high95.9Very high5 Ų533.9 Ų33.93%0.02617%0.167CC..SBendtrans-75.1127.6178.8-51.7173.1000109.9Y10 D141 V142 R173 R311 K313Y10-I144 HydrophobicContact CD1-CG2 4.12Å; Y10-I144 HydrophobicContact CE1-CG2 3.8Å; D141-I144 HydrophobicContact CB-CD1 4.14Å; D141-I144 HydrophobicContact CB-CG1 4.36Å; D141-I144 PolarHBondContact O-N 2.91Å; V142-I144 VanDerWaalsContact C-N 3.27Å; I144-R173 VanDerWaalsContact O-CD 3.3Å; I144-R173 WeakPolarHBondContact O-CD 3.32Å; I144-R311 HydrophobicContact CG2-CB 4.09Å; I144-R311 HydrophobicContact CG2-CG 4.33Å; I144-K313 HydrophobicContact CD1-CG 3.85Å; I144-K313 HydrophobicContact CG2-CD 4.22Å; I144-K313 HydrophobicContact CG2-CG 4.16Å
145P96.9Very high95.9Very high3 Ų333.2 Ų33.22%0.01917%0.166CC..PPolyproline II helixtrans-53.1155.9175.4-26.136000113.8Y10 E149 W162 Y234 P308Y10-P145 PolarHBondContact OH-O 3.12Å; P145-E149 HydrophobicContact CB-CB 3.83Å; P145-W162 HydrophobicContact CG-CZ2 4.09Å; P145-Y234 WeakPolarHBondContact CG-OH 3.29Å; P145-P308 HydrophobicContact CB-CB 3.74Å; P145-P308 HydrophobicContact CG-CB 3.79Å
146T96.8Very high96Very high36 Ų3637.5 Ų37.522%0.22118%0.183CC..PPolyproline II helixtrans-72.1161.4171.6590000112.1Y10 F148 E149 G150 R173 I177Y10-T146 PolarHBondContact OH-O 2.94Å; Y10-T146 VanDerWaalsContact OH-O 3.11Å; T146-F148 PolarHBondContact O-N 2.76Å; T146-E149 PolarHBondContact N-OE1 3.15Å; T146-E149 WeakPolarHBondContact O-CB 3.09Å; T146-E149 PolarHBondContact O-N 2.95Å; T146-E149 WeakPolarHBondContact OG1-CG 3.42Å; T146-E149 PolarHBondContact OG1-N 3.28Å; T146-E149 PolarHBondContact OG1-OE1 3.1Å; T146-E149 VanDerWaalsContact OG1-OE1 3.06Å; T146-G150 PolarHBondContact O-N 3.01Å; T146-R173 HydrophobicContact CG2-CG 4.09Å; T146-I177 HydrophobicContact CG2-CD1 4.12Å; T146-I177 HydrophobicContact CG2-CG1 4.2Å
147E95.8Very high96Very high130 Ų13044.4 Ų44.461%0.60721%0.213SC*.Hα-helixtrans-56.7-38173-69.6-179.6-176.700112.2Y10 E149 G150 W151 Y309Y10-E147 HydrophobicContact CE2-CG 4.12Å; Y10-E147 WeakPolarHBondContact OH-CA 3.46Å; Y10-E147 PolarHBondContact OH-N 3.23Å; Y10-E147 VanDerWaalsContact OH-N 3.11Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.41Å; E147-G150 PolarHBondContact O-N 3.25Å; E147-W151 VanDerWaalsContact O-CB 3.31Å; E147-W151 WeakPolarHBondContact O-CB 3.44Å; E147-W151 PolarHBondContact O-N 3.38Å; E147-Y309 PolarHBondContact O-OH 2.57Å; E147-Y309 VanDerWaalsContact O-OH 3.08Å
148F96.1Very high96Very high114 Ų11449 Ų4950%0.523%0.23SC..Hα-helixtrans-60.1-45.3173.7172-99.4000111.7T146 G150 W151 F152 F153T146-F148 PolarHBondContact O-N 2.76Å; F148-G150 PolarHBondContact O-N 3.14Å; F148-W151 HydrophobicContact CD2-CE3 4.15Å; F148-W151 HydrophobicContact CD2-CZ3 4.26Å; F148-W151 HydrophobicContact CE2-CE3 4.36Å; F148-W151 HydrophobicContact CE2-CZ3 4.1Å; F148-W151 PolarHBondContact O-N 3.2Å; F148-F152 HydrophobicContact CD2-CB 4.35Å; F148-F152 HydrophobicContact CE1-CB 4.33Å; F148-F152 HydrophobicContact CE2-CB 3.95Å; F148-F152 HydrophobicContact CE2-CD2 4.34Å; F148-F152 HydrophobicContact CE2-CG 4.17Å; F148-F152 HydrophobicContact CZ-CB 3.94Å; F148-F152 HydrophobicContact CZ-CD1 4.22Å; F148-F152 HydrophobicContact CZ-CD2 4.33Å; F148-F152 AromaticContact CZ-CG 3.91Å; F148-F152 HydrophobicContact CZ-CG 3.91Å; F148-F152 WeakPolarHBondContact O-CB 3.33Å; F148-F152 PolarHBondContact O-N 2.91Å; F148-F153 HydrophobicContact CE1-CE2 4.42Å
149E97.1Very high96.1Very high4 Ų445.5 Ų45.52%0.01921%0.211CC..Hα-helixtrans-60.8-46177.8-73.2171.7-93.800111.3P145 T146 E147 F153 W162 F169 R173 P308P145-E149 HydrophobicContact CB-CB 3.83Å; T146-E149 PolarHBondContact N-OE1 3.15Å; T146-E149 WeakPolarHBondContact O-CB 3.09Å; T146-E149 PolarHBondContact O-N 2.95Å; T146-E149 WeakPolarHBondContact OG1-CG 3.42Å; T146-E149 PolarHBondContact OG1-N 3.28Å; T146-E149 PolarHBondContact OG1-OE1 3.1Å; T146-E149 VanDerWaalsContact OG1-OE1 3.06Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.41Å; E149-F153 HydrophobicContact CB-CD2 4.29Å; E149-F153 HydrophobicContact CG-CD2 4.48Å; E149-F153 HydrophobicContact CG-CE2 4.41Å; E149-F153 WeakPolarHBondContact O-CB 3.12Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.24Å; E149-W162 PolarHBondContact OE2-NE1 3.31Å; E149-F169 HydrophobicContact CG-CD1 4.32Å; E149-F169 HydrophobicContact CG-CE1 4.38Å; E149-F169 WeakPolarHBondContact OE2-CG 3.41Å; E149-R173 IonicContact OE1-CZ 3.19Å; E149-R173 IonicContact OE1-NE 2.58Å; E149-R173 PolarHBondContact OE1-NE 3.32Å; E149-R173 IonicContact OE1-NH2 2.69Å; E149-R173 IonicContact OE2-CZ 3.84Å; E149-R173 IonicContact OE2-NE 3.85Å; E149-R173 IonicContact OE2-NH2 2.95Å; E149-R173 PolarHBondContact OE2-NH2 3.11Å; E149-P308 HydrophobicContact CB-CB 4.35Å
150G95.6Very high96.3Very high0 Ų047.4 Ų47.40%021%0.209CC..Hα-helixtrans-58.3-51.7175.500000113T146 E147 F148 Y309T146-G150 PolarHBondContact O-N 3.01Å; E147-G150 PolarHBondContact O-N 3.25Å; F148-G150 PolarHBondContact O-N 3.14Å; G150-Y309 VanDerWaalsContact C-CD2 3.46Å; G150-Y309 VanDerWaalsContact CA-CE2 3.48Å; G150-Y309 WeakPolarHBondContact O-CE2 3.27Å
151W95.6Very high96.4Very high136 Ų13648.9 Ų48.952%0.51522%0.218SC..Hα-helixtrans-68-42.7-176.9168.982.9000112.6E147 F148 C154 Y309E147-W151 VanDerWaalsContact O-CB 3.31Å; E147-W151 WeakPolarHBondContact O-CB 3.44Å; E147-W151 PolarHBondContact O-N 3.38Å; F148-W151 HydrophobicContact CD2-CE3 4.15Å; F148-W151 HydrophobicContact CD2-CZ3 4.26Å; F148-W151 HydrophobicContact CE2-CE3 4.36Å; F148-W151 HydrophobicContact CE2-CZ3 4.1Å; F148-W151 PolarHBondContact O-N 3.2Å; W151-C154 PolarHBondContact O-SG 3.48Å; W151-Y309 HydrophobicContact CB-CE2 4.38Å; W151-Y309 PolarHBondContact N-OH 2.96Å
152F96.6Very high96.4Very high69 Ų6948.7 Ų48.730%0.30322%0.217SC..Hα-helixtrans-79.1-46.1-173.4-174.7-103.9000112.1F148 C154 R158F148-F152 HydrophobicContact CD2-CB 4.35Å; F148-F152 HydrophobicContact CE1-CB 4.33Å; F148-F152 HydrophobicContact CE2-CB 3.95Å; F148-F152 HydrophobicContact CE2-CD2 4.34Å; F148-F152 HydrophobicContact CE2-CG 4.17Å; F148-F152 HydrophobicContact CZ-CB 3.94Å; F148-F152 HydrophobicContact CZ-CD1 4.22Å; F148-F152 HydrophobicContact CZ-CD2 4.33Å; F148-F152 AromaticContact CZ-CG 3.91Å; F148-F152 HydrophobicContact CZ-CG 3.91Å; F148-F152 WeakPolarHBondContact O-CB 3.33Å; F148-F152 PolarHBondContact O-N 2.91Å; F152-C154 PolarHBondContact O-N 3.38Å; F152-C154 VanDerWaalsContact O-N 3.08Å; F152-R158 WeakPolarHBondContact O-CD 3.36Å; F152-R158 PolarHBondContact O-NH1 3.26Å; F152-R158 VanDerWaalsContact O-NH1 3.08Å
153F96.8Very high96.4Very high10 Ų1048.1 Ų48.14%0.04421%0.214CC..SBendtrans-8948.9-174.8-57.7-77.7000112.7F148 E149 R158 K159 V161 W162 F169 P308F148-F153 HydrophobicContact CE1-CE2 4.42Å; E149-F153 HydrophobicContact CB-CD2 4.29Å; E149-F153 HydrophobicContact CG-CD2 4.48Å; E149-F153 HydrophobicContact CG-CE2 4.41Å; E149-F153 WeakPolarHBondContact O-CB 3.12Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.24Å; F153-R158 HydrophobicContact CB-CB 4.42Å; F153-R158 HydrophobicContact CD1-CB 3.92Å; F153-R158 WeakPolarHBondContact CD1-O 3.46Å; F153-K159 WeakPolarHBondContact O-CG 3.45Å; F153-V161 HydrophobicContact CE1-CG1 4.42Å; F153-W162 HydrophobicContact CB-CB 3.91Å; F153-W162 HydrophobicContact CB-CG 4.1Å; F153-W162 HydrophobicContact CD1-CB 3.6Å; F153-W162 HydrophobicContact CD1-CG 4.28Å; F153-W162 HydrophobicContact CD2-CB 4.18Å; F153-W162 AromaticContact CD2-CD1 3.26Å; F153-W162 AromaticContact CD2-CG 3.98Å; F153-W162 HydrophobicContact CD2-CG 3.98Å; F153-W162 HydrophobicContact CE1-CB 4.07Å; F153-W162 AromaticContact CE2-CD1 3.57Å; F153-W162 HydrophobicContact CE2-CG 4.46Å; F153-W162 HydrophobicContact CG-CB 3.64Å; F153-W162 AromaticContact CG-CD1 3.63Å; F153-W162 AromaticContact CG-CG 3.88Å; F153-W162 HydrophobicContact CG-CG 3.88Å; F153-F169 HydrophobicContact CE2-CE1 4.36Å; F153-F169 HydrophobicContact CE2-CE2 4.05Å; F153-F169 AromaticContact CE2-CZ 3.57Å; F153-F169 HydrophobicContact CE2-CZ 3.57Å; F153-F169 HydrophobicContact CZ-CE2 4.11Å; F153-F169 AromaticContact CZ-CZ 3.58Å; F153-F169 HydrophobicContact CZ-CZ 3.58Å; F153-P308 HydrophobicContact CB-CG 4.03Å; F153-P308 WeakPolarHBondContact O-CD 3.36Å
154C94.6Very high96.4Very high4 Ų450.8 Ų50.83%0.02723%0.227CC..  trans-103.417.5-175.462.90000114.4R4 V5 W151 F152R4-C154 WeakPolarHBondContact CA-O 2.98Å; R4-C154 HydrophobicContact CG-CB 4.29Å; R4-C154 PolarHBondContact NE-SG 3.08Å; V5-C154 HydrophobicContact CB-CB 4.38Å; V5-C154 VanDerWaalsContact CG2-O 3.31Å; V5-C154 WeakPolarHBondContact CG2-O 3.27Å; V5-C154 PolarHBondContact N-O 3.46Å; W151-C154 PolarHBondContact O-SG 3.48Å; F152-C154 PolarHBondContact O-N 3.38Å; F152-C154 VanDerWaalsContact O-N 3.08Å
155T95.9Very high96.4Very high23 Ų2353.3 Ų53.314%0.14124%0.241CC..BIsolated β-bridgetrans-130.8156.5174.564.40000109.5R4 F157 R158 K159R4-T155 HydrophobicContact CB-CG2 4.48Å; T155-F157 VanDerWaalsContact C-N 3.35Å; T155-F157 PolarHBondContact O-N 3.34Å; T155-R158 CarbonylContact O-C 3.52Å; T155-R158 PolarHBondContact O-N 3.25Å; T155-R158 WeakPolarHBondContact OG1-CB 3.32Å; T155-R158 VanDerWaalsContact OG1-CG 3.27Å; T155-R158 WeakPolarHBondContact OG1-CG 3.3Å; T155-R158 PolarHBondContact OG1-N 2.95Å; T155-K159 WeakPolarHBondContact O-CG 3.11Å; T155-K159 PolarHBondContact O-N 3.16Å
156R96.4Very high96.2Very high94 Ų9453.2 Ų53.236%0.35524%0.24SC..Hα-helixtrans-50.5-49.7-177.7-53.9-173.6-173172.40.1113.7R158 K159 F160 I301 M302 D304R156-R158 PolarHBondContact O-N 2.63Å; R156-K159 PolarHBondContact O-N 2.96Å; R156-F160 PolarHBondContact O-N 2.88Å; R156-I301 WeakPolarHBondContact CA-O 3.48Å; R156-I301 HydrophobicContact CB-CG2 4.47Å; R156-I301 WeakPolarHBondContact CB-O 3.04Å; R156-I301 WeakPolarHBondContact CG-O 3.06Å; R156-M302 PolarHBondContact NE-O 2.83Å; R156-D304 WeakPolarHBondContact CG-OD1 3.35Å; R156-D304 IonicContact CZ-OD1 3.57Å; R156-D304 IonicContact CZ-OD2 3.73Å; R156-D304 IonicContact NE-OD1 3.57Å; R156-D304 PolarHBondContact NE-OD1 3.13Å; R156-D304 IonicContact NE-OD2 3.91Å; R156-D304 IonicContact NH2-OD1 2.74Å; R156-D304 IonicContact NH2-OD2 3.11Å; R156-D304 PolarHBondContact NH2-OD2 3.41Å
157F96.7Very high96Very high146 Ų14652.1 Ų52.164%0.6423%0.233SC*.Hα-helixtrans-63.3-42.7178.8176.8-106.8000112.1T155 F160 V161T155-F157 VanDerWaalsContact C-N 3.35Å; T155-F157 PolarHBondContact O-N 3.34Å; F157-F160 WeakPolarHBondContact O-CB 3.33Å; F157-F160 PolarHBondContact O-N 3.45Å; F157-V161 HydrophobicContact CE1-CG2 4.12Å; F157-V161 HydrophobicContact CE2-CG2 4.32Å; F157-V161 HydrophobicContact CZ-CG2 3.98Å; F157-V161 WeakPolarHBondContact O-CG2 3.21Å; F157-V161 PolarHBondContact O-N 3.14Å
158R97.1Very high95.9Very high96 Ų9649.8 Ų49.836%0.36222%0.224SC..Hα-helixtrans-68.4-40.3178.7-64.6-177.5-169174-0.8111.1F152 F153 T155 R156 F160 V161 W162F152-R158 WeakPolarHBondContact O-CD 3.36Å; F152-R158 PolarHBondContact O-NH1 3.26Å; F152-R158 VanDerWaalsContact O-NH1 3.08Å; F153-R158 HydrophobicContact CB-CB 4.42Å; F153-R158 HydrophobicContact CD1-CB 3.92Å; F153-R158 WeakPolarHBondContact CD1-O 3.46Å; T155-R158 CarbonylContact O-C 3.52Å; T155-R158 PolarHBondContact O-N 3.25Å; T155-R158 WeakPolarHBondContact OG1-CB 3.32Å; T155-R158 VanDerWaalsContact OG1-CG 3.27Å; T155-R158 WeakPolarHBondContact OG1-CG 3.3Å; T155-R158 PolarHBondContact OG1-N 2.95Å; R156-R158 PolarHBondContact O-N 2.63Å; R158-F160 VanDerWaalsContact C-N 3.29Å; R158-F160 PolarHBondContact O-N 2.98Å; R158-V161 CarbonylContact O-C 3.57Å; R158-V161 PolarHBondContact O-N 3.25Å; R158-V161 VanDerWaalsContact O-N 3.12Å; R158-W162 WeakPolarHBondContact O-CB 3.39Å; R158-W162 PolarHBondContact O-N 2.67Å
159K97.5Very high95.8Very high0 Ų046 Ų460%021%0.208CC..Hα-helixtrans-58.6-40.2173-71.2-172.5-64.3175.10112.4F153 T155 R156 W162 I163 F300 I301 D303 L306F153-K159 WeakPolarHBondContact O-CG 3.45Å; T155-K159 WeakPolarHBondContact O-CG 3.11Å; T155-K159 PolarHBondContact O-N 3.16Å; R156-K159 PolarHBondContact O-N 2.96Å; K159-W162 WeakPolarHBondContact O-CB 3.28Å; K159-W162 PolarHBondContact O-N 3.48Å; K159-I163 PolarHBondContact O-N 3.35Å; K159-F300 HydrophobicContact CB-CD1 4.32Å; K159-F300 HydrophobicContact CB-CE1 4.06Å; K159-F300 HydrophobicContact CD-CD1 4.39Å; K159-F300 HydrophobicContact CD-CE1 4.12Å; K159-F300 VanDerWaalsContact CD-O 3.3Å; K159-F300 WeakPolarHBondContact CD-O 3.22Å; K159-F300 WeakPolarHBondContact CE-O 3.13Å; K159-F300 HydrophobicContact CG-CE1 4.12Å; K159-F300 PolarHBondContact NZ-O 3.39Å; K159-I301 WeakPolarHBondContact CE-O 3.16Å; K159-I301 PolarHBondContact NZ-O 3.18Å; K159-D303 PolarHBondContact NZ-O 2.96Å; K159-L306 VanDerWaalsContact CD-O 3.25Å; K159-L306 WeakPolarHBondContact CD-O 3.1Å; K159-L306 PolarHBondContact NZ-O 3.42Å
160F97.3Very high95.6Very high77 Ų7748.5 Ų48.534%0.33822%0.218SC..Hα-helixtrans-60-47.1172.9172.2-101.9000112R156 F157 R158 W162 I163 I164 L222 I301R156-F160 PolarHBondContact O-N 2.88Å; F157-F160 WeakPolarHBondContact O-CB 3.33Å; F157-F160 PolarHBondContact O-N 3.45Å; R158-F160 VanDerWaalsContact C-N 3.29Å; R158-F160 PolarHBondContact O-N 2.98Å; F160-W162 VanDerWaalsContact C-N 3.31Å; F160-W162 PolarHBondContact O-N 3.03Å; F160-I163 PolarHBondContact O-N 2.9Å; F160-I164 HydrophobicContact CD1-CD1 4.1Å; F160-I164 HydrophobicContact CE1-CD1 3.55Å; F160-I164 HydrophobicContact CE2-CD1 4.38Å; F160-I164 HydrophobicContact CZ-CD1 3.72Å; F160-I164 PolarHBondContact O-N 3.18Å; F160-L222 HydrophobicContact CE2-CD1 4.42Å; F160-L222 HydrophobicContact CE2-CD2 3.56Å; F160-L222 HydrophobicContact CZ-CD2 4.02Å; F160-I301 HydrophobicContact CB-CD1 4.35Å; F160-I301 HydrophobicContact CB-CG1 4.42Å; F160-I301 HydrophobicContact CB-CG2 4.3Å; F160-I301 HydrophobicContact CD2-CD1 3.97Å
161V97.2Very high95.5Very high44 Ų4451.4 Ų51.427%0.26724%0.241SC..Hα-helixtrans-62.8-38.2174.4174.80000111.5F153 F157 R158 I163 I164 L165F153-V161 HydrophobicContact CE1-CG1 4.42Å; F157-V161 HydrophobicContact CE1-CG2 4.12Å; F157-V161 HydrophobicContact CE2-CG2 4.32Å; F157-V161 HydrophobicContact CZ-CG2 3.98Å; F157-V161 WeakPolarHBondContact O-CG2 3.21Å; F157-V161 PolarHBondContact O-N 3.14Å; R158-V161 CarbonylContact O-C 3.57Å; R158-V161 PolarHBondContact O-N 3.25Å; R158-V161 VanDerWaalsContact O-N 3.12Å; V161-I163 PolarHBondContact O-N 2.96Å; V161-I164 WeakPolarHBondContact O-CB 3.33Å; V161-I164 PolarHBondContact O-N 3.3Å; V161-L165 HydrophobicContact CG1-CD1 3.76Å; V161-L165 HydrophobicContact CG1-CG 4.24Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.09Å
162W96.9Very high95.4Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-60.5-43.1178-17677.7000112P145 E149 F153 R158 K159 F160 I164 L165 Q166 F169 I230 Y234 F300 P308P145-W162 HydrophobicContact CG-CZ2 4.09Å; E149-W162 PolarHBondContact OE2-NE1 3.31Å; F153-W162 HydrophobicContact CB-CB 3.91Å; F153-W162 HydrophobicContact CB-CG 4.1Å; F153-W162 HydrophobicContact CD1-CB 3.6Å; F153-W162 HydrophobicContact CD1-CG 4.28Å; F153-W162 HydrophobicContact CD2-CB 4.18Å; F153-W162 AromaticContact CD2-CD1 3.26Å; F153-W162 AromaticContact CD2-CG 3.98Å; F153-W162 HydrophobicContact CD2-CG 3.98Å; F153-W162 HydrophobicContact CE1-CB 4.07Å; F153-W162 AromaticContact CE2-CD1 3.57Å; F153-W162 HydrophobicContact CE2-CG 4.46Å; F153-W162 HydrophobicContact CG-CB 3.64Å; F153-W162 AromaticContact CG-CD1 3.63Å; F153-W162 AromaticContact CG-CG 3.88Å; F153-W162 HydrophobicContact CG-CG 3.88Å; R158-W162 WeakPolarHBondContact O-CB 3.39Å; R158-W162 PolarHBondContact O-N 2.67Å; K159-W162 WeakPolarHBondContact O-CB 3.28Å; K159-W162 PolarHBondContact O-N 3.48Å; F160-W162 VanDerWaalsContact C-N 3.31Å; F160-W162 PolarHBondContact O-N 3.03Å; W162-I164 VanDerWaalsContact C-N 3.33Å; W162-I164 PolarHBondContact O-N 3.14Å; W162-L165 CarbonylContact O-C 3.6Å; W162-L165 PolarHBondContact O-N 2.96Å; W162-L165 VanDerWaalsContact O-N 3.17Å; W162-Q166 PolarHBondContact O-N 2.82Å; W162-F169 AromaticContact CD1-CD2 3.58Å; W162-F169 AromaticContact CD1-CE2 3.18Å; W162-F169 AromaticContact CD1-CZ 4Å; W162-F169 HydrophobicContact CG-CD2 4.4Å; W162-F169 HydrophobicContact CG-CE2 4.01Å; W162-F169 AromaticContact NE1-CD2 3.44Å; W162-F169 AromaticContact NE1-CE2 3.58Å; W162-I230 HydrophobicContact CZ3-CD1 4.04Å; W162-I230 HydrophobicContact CZ3-CG1 4.29Å; W162-Y234 AromaticContact CH2-CZ 3.87Å; W162-Y234 WeakPolarHBondContact CH2-OH 3.37Å; W162-Y234 WeakPolarHBondContact CZ2-OH 3.41Å; W162-F300 AromaticContact CE3-CE1 3.62Å; W162-F300 HydrophobicContact CE3-CE1 3.62Å; W162-F300 AromaticContact CE3-CZ 3.91Å; W162-F300 HydrophobicContact CE3-CZ 3.91Å; W162-F300 AromaticContact CZ3-CE1 3.77Å; W162-F300 HydrophobicContact CZ3-CE1 3.77Å; W162-F300 AromaticContact CZ3-CZ 3.75Å; W162-F300 HydrophobicContact CZ3-CZ 3.75Å; W162-P308 HydrophobicContact CD2-CG 4.2Å; W162-P308 HydrophobicContact CG-CG 4.46Å
163I96.1Very high95.4Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-60.7-42.4174.8-72.7165.8000111.2K159 F160 V161 L165 Q166 G221 L222 I230 L297 F300 I301K159-I163 PolarHBondContact O-N 3.35Å; F160-I163 PolarHBondContact O-N 2.9Å; V161-I163 PolarHBondContact O-N 2.96Å; I163-L165 VanDerWaalsContact C-N 3.27Å; I163-L165 PolarHBondContact O-N 3.09Å; I163-Q166 VanDerWaalsContact O-CB 3.26Å; I163-Q166 WeakPolarHBondContact O-CB 3.36Å; I163-Q166 PolarHBondContact O-N 3.43Å; I163-G221 CarbonylContact O-C 3.44Å; I163-G221 VanDerWaalsContact O-CA 3.28Å; I163-G221 WeakPolarHBondContact O-CA 3.3Å; I163-L222 HydrophobicContact CG2-CB 4.21Å; I163-L222 HydrophobicContact CG2-CD1 3.8Å; I163-I230 HydrophobicContact CD1-CD1 4.04Å; I163-I230 HydrophobicContact CG1-CD1 3.98Å; I163-L297 HydrophobicContact CD1-CD2 4.04Å; I163-L297 HydrophobicContact CG1-CD2 4.47Å; I163-L297 HydrophobicContact CG2-CD2 4.17Å; I163-F300 HydrophobicContact CD1-CD1 3.91Å; I163-F300 HydrophobicContact CG1-CD1 4.37Å; I163-I301 HydrophobicContact CD1-CD1 3.69Å; I163-I301 HydrophobicContact CD1-CG1 3.54Å
164I95.4Very high95.4Very high75 Ų7546.5 Ų46.539%0.38523%0.228SC..Hα-helixtrans-61.7-39.4177.1-66168.8000110.9F160 V161 W162 P167 L222F160-I164 HydrophobicContact CD1-CD1 4.1Å; F160-I164 HydrophobicContact CE1-CD1 3.55Å; F160-I164 HydrophobicContact CE2-CD1 4.38Å; F160-I164 HydrophobicContact CZ-CD1 3.72Å; F160-I164 PolarHBondContact O-N 3.18Å; V161-I164 WeakPolarHBondContact O-CB 3.33Å; V161-I164 PolarHBondContact O-N 3.3Å; W162-I164 VanDerWaalsContact C-N 3.33Å; W162-I164 PolarHBondContact O-N 3.14Å; I164-P167 WeakPolarHBondContact O-CD 3Å; I164-L222 HydrophobicContact CG1-CB 4.02Å
165L95.3Very high95.4Very high59 Ų5951.8 Ų51.831%0.30926%0.256SS..Hα-helixtrans-88.6-1.1-177.7-60.5177.7000113.7V161 W162 I163 P167 L168 F169V161-L165 HydrophobicContact CG1-CD1 3.76Å; V161-L165 HydrophobicContact CG1-CG 4.24Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.09Å; W162-L165 CarbonylContact O-C 3.6Å; W162-L165 PolarHBondContact O-N 2.96Å; W162-L165 VanDerWaalsContact O-N 3.17Å; I163-L165 VanDerWaalsContact C-N 3.27Å; I163-L165 PolarHBondContact O-N 3.09Å; L165-P167 VanDerWaalsContact C-N 3.32Å; L165-L168 HydrophobicContact CD2-CD1 3.91Å; L165-L168 WeakPolarHBondContact O-CA 3.39Å; L165-L168 WeakPolarHBondContact O-CB 3.29Å; L165-L168 PolarHBondContact O-N 3.09Å; L165-F169 HydrophobicContact CB-CD2 4.25Å; L165-F169 HydrophobicContact CB-CE2 3.58Å; L165-F169 HydrophobicContact CB-CZ 3.97Å; L165-F169 HydrophobicContact CD1-CZ 4.33Å; L165-F169 WeakPolarHBondContact O-CD2 3.34Å; L165-F169 PolarHBondContact O-N 2.94Å
166Q93.5Very high95.3Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-49-43.9-179.5-174-178.346.100113.9W162 I163 L168 F169 Y170 M220W162-Q166 PolarHBondContact O-N 2.82Å; I163-Q166 VanDerWaalsContact O-CB 3.26Å; I163-Q166 WeakPolarHBondContact O-CB 3.36Å; I163-Q166 PolarHBondContact O-N 3.43Å; Q166-L168 PolarHBondContact O-N 3.45Å; Q166-F169 PolarHBondContact O-N 3.25Å; Q166-F169 VanDerWaalsContact O-N 3.08Å; Q166-Y170 HydrophobicContact CG-CD2 3.58Å; Q166-Y170 HydrophobicContact CG-CE2 3.58Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.14Å; Q166-Y170 PolarHBondContact O-N 2.92Å; Q166-M220 PolarHBondContact OE1-O 3.1Å
167P93Very high95.2Very high13 Ų1352.9 Ų52.98%0.08427%0.273CS..Hα-helixtrans-57.4-36.1177.5-17.124.6000112.8I164 L165 A171 L217 M220I164-P167 WeakPolarHBondContact O-CD 3Å; L165-P167 VanDerWaalsContact C-N 3.32Å; P167-A171 PolarHBondContact O-N 3.14Å; P167-A171 VanDerWaalsContact O-N 3.14Å; P167-L217 HydrophobicContact CB-CD2 4.13Å; P167-L217 VanDerWaalsContact CG-O 3.29Å; P167-L217 WeakPolarHBondContact CG-O 3.27Å; P167-M220 HydrophobicContact CB-CB 3.98Å; P167-M220 HydrophobicContact CB-CE 4.31Å; P167-M220 HydrophobicContact CG-CB 3.71Å
168L93.3Very high95.2Very high81 Ų8147 Ų4742%0.42425%0.249SC..Hα-helixtrans-71.5-40.7178.6-58.2178.2000110.9L165 Q166 A171 I172 L217L165-L168 HydrophobicContact CD2-CD1 3.91Å; L165-L168 WeakPolarHBondContact O-CA 3.39Å; L165-L168 WeakPolarHBondContact O-CB 3.29Å; L165-L168 PolarHBondContact O-N 3.09Å; Q166-L168 PolarHBondContact O-N 3.45Å; L168-A171 PolarHBondContact O-N 2.74Å; L168-I172 WeakPolarHBondContact O-CB 3.34Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 2.94Å; L168-L217 HydrophobicContact CD2-CD2 4.06Å
169F94.9Very high95.1Very high35 Ų3546.7 Ų46.715%0.15426%0.259CS..Hα-helixtrans-63.4-44.7175.2-61-50000111.3E149 F153 W162 L165 Q166 A171 I172 R173E149-F169 HydrophobicContact CG-CD1 4.32Å; E149-F169 HydrophobicContact CG-CE1 4.38Å; E149-F169 WeakPolarHBondContact OE2-CG 3.41Å; F153-F169 HydrophobicContact CE2-CE1 4.36Å; F153-F169 HydrophobicContact CE2-CE2 4.05Å; F153-F169 AromaticContact CE2-CZ 3.57Å; F153-F169 HydrophobicContact CE2-CZ 3.57Å; F153-F169 HydrophobicContact CZ-CE2 4.11Å; F153-F169 AromaticContact CZ-CZ 3.58Å; F153-F169 HydrophobicContact CZ-CZ 3.58Å; W162-F169 AromaticContact CD1-CD2 3.58Å; W162-F169 AromaticContact CD1-CE2 3.18Å; W162-F169 AromaticContact CD1-CZ 4Å; W162-F169 HydrophobicContact CG-CD2 4.4Å; W162-F169 HydrophobicContact CG-CE2 4.01Å; W162-F169 AromaticContact NE1-CD2 3.44Å; W162-F169 AromaticContact NE1-CE2 3.58Å; L165-F169 HydrophobicContact CB-CD2 4.25Å; L165-F169 HydrophobicContact CB-CE2 3.58Å; L165-F169 HydrophobicContact CB-CZ 3.97Å; L165-F169 HydrophobicContact CD1-CZ 4.33Å; L165-F169 WeakPolarHBondContact O-CD2 3.34Å; L165-F169 PolarHBondContact O-N 2.94Å; Q166-F169 PolarHBondContact O-N 3.25Å; Q166-F169 VanDerWaalsContact O-N 3.08Å; F169-A171 PolarHBondContact O-N 2.7Å; F169-I172 PolarHBondContact O-N 2.66Å; F169-R173 WeakPolarHBondContact O-CA 3.36Å; F169-R173 WeakPolarHBondContact O-CB 3.18Å; F169-R173 PolarHBondContact O-N 3.08Å
170Y92.4Very high95Very high57 Ų5748 Ų4822%0.22426%0.264CS..Hα-helixtrans-61.1-31.1175.5-89.3-94.4000113.4D143 Q166 P174 F229D143-Y170 WeakPolarHBondContact OD1-CE1 3.47Å; D143-Y170 PolarHBondContact OD1-OH 3.38Å; Q166-Y170 HydrophobicContact CG-CD2 3.58Å; Q166-Y170 HydrophobicContact CG-CE2 3.58Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.14Å; Q166-Y170 PolarHBondContact O-N 2.92Å; Y170-P174 WeakPolarHBondContact O-CD 3.37Å; Y170-P174 WeakPolarHBondContact O-CG 3.45Å; Y170-F229 HydrophobicContact CE1-CD1 4.18Å; Y170-F229 HydrophobicContact CE1-CE1 4.37Å; Y170-F229 HydrophobicContact CE2-CB 4.44Å; Y170-F229 HydrophobicContact CE2-CD1 4.2Å; Y170-F229 HydrophobicContact CE2-CG 4.34Å; Y170-F229 AromaticContact CZ-CD1 3.79Å
171A92.6Very high94.8Very high60 Ų6048.9 Ų48.950%0.49628%0.278SS..Hα-helixtrans-76.1-40.2175.800000113.2P167 L168 F169P167-A171 PolarHBondContact O-N 3.14Å; P167-A171 VanDerWaalsContact O-N 3.14Å; L168-A171 PolarHBondContact O-N 2.74Å; F169-A171 PolarHBondContact O-N 2.7Å
172I94.4Very high94.8Very high93 Ų9353.4 Ų53.448%0.47730%0.299SS..Hα-helixtrans-92.8-42.1-170.4-63.9168.3000112L168 F169 P174 L175 C176L168-I172 WeakPolarHBondContact O-CB 3.34Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 2.94Å; F169-I172 PolarHBondContact O-N 2.66Å; I172-P174 VanDerWaalsContact C-CD 3.44Å; I172-P174 VanDerWaalsContact C-N 3.34Å; I172-L175 WeakPolarHBondContact O-CA 3.41Å; I172-L175 VanDerWaalsContact O-CB 3.28Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 2.79Å; I172-C176 PolarHBondContact O-N 2.82Å
173R96.1Very high94.8Very high5 Ų555.9 Ų55.92%0.01932%0.315CS..Hα-helixtrans-53.3-41.8-173.3-177.6-163.7-62149.91.6113.4V142 D143 I144 T146 E149 F169 L175 C176 I177V142-R173 WeakPolarHBondContact O-CD 3.38Å; D143-R173 PolarHBondContact O-NH1 2.8Å; I144-R173 VanDerWaalsContact O-CD 3.3Å; I144-R173 WeakPolarHBondContact O-CD 3.32Å; T146-R173 HydrophobicContact CG2-CG 4.09Å; E149-R173 IonicContact OE1-CZ 3.19Å; E149-R173 IonicContact OE1-NE 2.58Å; E149-R173 PolarHBondContact OE1-NE 3.32Å; E149-R173 IonicContact OE1-NH2 2.69Å; E149-R173 IonicContact OE2-CZ 3.84Å; E149-R173 IonicContact OE2-NE 3.85Å; E149-R173 IonicContact OE2-NH2 2.95Å; E149-R173 PolarHBondContact OE2-NH2 3.11Å; F169-R173 WeakPolarHBondContact O-CA 3.36Å; F169-R173 WeakPolarHBondContact O-CB 3.18Å; F169-R173 PolarHBondContact O-N 3.08Å; R173-L175 PolarHBondContact O-N 2.8Å; R173-C176 PolarHBondContact O-N 2.8Å; R173-I177 HydrophobicContact CG-CD1 3.46Å; R173-I177 VanDerWaalsContact CG-CD1 3.46Å; R173-I177 HydrophobicContact CG-CG1 4.03Å; R173-I177 PolarHBondContact O-N 3.22Å
174P96Very high94.8Very high14 Ų1466.9 Ų66.99%0.09136%0.356CS..Hα-helixtrans-58.7-33.9176.2-25.236.1000113.5Y127 V142 Y170 I172 C176 N178Y127-P174 HydrophobicContact CD1-CB 4.18Å; Y127-P174 HydrophobicContact CD2-CB 4.07Å; Y127-P174 HydrophobicContact CE1-CB 3.87Å; Y127-P174 HydrophobicContact CE2-CB 3.76Å; Y127-P174 HydrophobicContact CG-CB 4.27Å; V142-P174 HydrophobicContact CB-CB 4.04Å; V142-P174 HydrophobicContact CB-CG 4.09Å; V142-P174 HydrophobicContact CG1-CB 4.16Å; V142-P174 HydrophobicContact CG2-CB 3.96Å; V142-P174 HydrophobicContact CG2-CG 3.83Å; Y170-P174 WeakPolarHBondContact O-CD 3.37Å; Y170-P174 WeakPolarHBondContact O-CG 3.45Å; I172-P174 VanDerWaalsContact C-CD 3.44Å; I172-P174 VanDerWaalsContact C-N 3.34Å; P174-C176 VanDerWaalsContact C-N 3.28Å; P174-C176 PolarHBondContact O-N 3.34Å; P174-N178 CarbonylContact O-C 3.4Å; P174-N178 PolarHBondContact O-N 2.78Å
175L94.4Very high94.9Very high115 Ų11565.4 Ų65.460%0.60235%0.349SS*.Hα-helixtrans-72.2-23.5178.2-51178.4000112.5I172 R173I172-L175 WeakPolarHBondContact O-CA 3.41Å; I172-L175 VanDerWaalsContact O-CB 3.28Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 2.79Å; R173-L175 PolarHBondContact O-N 2.8Å
176C95.2Very high95Very high91 Ų9163.4 Ų63.462%0.61534%0.338SS*.Hα-helixtrans-88.5-36.7177.1-59.50000112.6I172 R173 P174I172-C176 PolarHBondContact O-N 2.82Å; R173-C176 PolarHBondContact O-N 2.8Å; P174-C176 VanDerWaalsContact C-N 3.28Å; P174-C176 PolarHBondContact O-N 3.34Å
177I94.7Very high95.3Very high49 Ų4967.6 Ų67.625%0.25136%0.363SS..Hα-helixtrans-88.7-50.3-173.8-63.2-177.3000111.7V142 T146 R173V142-I177 HydrophobicContact CG1-CB 4.17Å; V142-I177 HydrophobicContact CG1-CG2 4.18Å; T146-I177 HydrophobicContact CG2-CD1 4.12Å; T146-I177 HydrophobicContact CG2-CG1 4.2Å; R173-I177 HydrophobicContact CG-CD1 3.46Å; R173-I177 VanDerWaalsContact CG-CD1 3.46Å; R173-I177 HydrophobicContact CG-CG1 4.03Å; R173-I177 PolarHBondContact O-N 3.22Å
178N95.6Very high95.5Very high24 Ų2468.1 Ų68.113%0.12837%0.368CS..SBendtrans-144.466.3-172.6-172.59.5000110.8Y127 G139 V142 P174 K180Y127-N178 HydrophobicContact CE1-CB 4.49Å; Y127-N178 VanDerWaalsContact CE1-O 3.23Å; Y127-N178 WeakPolarHBondContact CE1-O 3.19Å; Y127-N178 PolarHBondContact OH-O 3.28Å; Y127-N178 VanDerWaalsContact OH-O 3.09Å; G139-N178 WeakPolarHBondContact O-CB 3.49Å; V142-N178 HydrophobicContact CG1-CB 3.74Å; P174-N178 CarbonylContact O-C 3.4Å; P174-N178 PolarHBondContact O-N 2.78Å; N178-K180 PolarHBondContact O-N 3.04Å
179P95.3Very high95.8Very high88 Ų8864.3 Ų64.357%0.57135%0.349SS*.  trans-61.4113.4-176.424.8-33.6000111.3
180K94.4Very high95.9Very high27 Ų2765.5 Ų65.512%0.11736%0.359CS..PPolyproline II helixtrans-84.1147.9176.6-72.3176.2177.5-76.40112.2R126 Y127 D130 N178 E323R126-K180 HydrophobicContact CB-CD 3.92Å; Y127-K180 HydrophobicContact CD1-CD 3.96Å; Y127-K180 HydrophobicContact CD2-CD 4.5Å; Y127-K180 HydrophobicContact CE1-CD 3.55Å; Y127-K180 HydrophobicContact CE1-CG 3.77Å; Y127-K180 HydrophobicContact CE2-CD 4.15Å; Y127-K180 HydrophobicContact CG-CD 4.42Å; Y127-K180 PolarHBondContact OH-N 3.24Å; Y127-K180 VanDerWaalsContact OH-N 3.14Å; D130-K180 WeakPolarHBondContact OD2-CE 3.4Å; D130-K180 IonicContact OD2-NZ 2.92Å; D130-K180 PolarHBondContact OD2-NZ 3.33Å; N178-K180 PolarHBondContact O-N 3.04Å; K180-E323 PolarHBondContact NZ-O 2.93Å
181P94.8Very high96.2Very high96 Ų9665.2 Ų65.262%0.62337%0.368SS*.PPolyproline II helixtrans-63.5140.4172.827.1-34.3000110.8R126 T183R126-P181 PolarHBondContact NH1-O 3.2Å; P181-T183 PolarHBondContact O-N 3.16Å
182I95.8Very high96.5Very high139 Ų13965.1 Ų65.171%0.71336%0.361SS*.PPolyproline II helixtrans-70.9125.8177.6-59.4175.2000109E186 V187I182-E186 HydrophobicContact CG2-CB 4.05Å; I182-V187 HydrophobicContact CG2-CG2 3.8Å
183T96.6Very high96.7Very high53 Ų5360.7 Ų60.733%0.32534%0.338SS..  trans-104.1175175.691.50000111.4P181 L185 E186 V187P181-T183 PolarHBondContact O-N 3.16Å; T183-L185 PolarHBondContact O-N 3.04Å; T183-L185 PolarHBondContact OG1-N 2.71Å; T183-L185 VanDerWaalsContact OG1-N 3.12Å; T183-E186 VanDerWaalsContact CA-OE2 3.25Å; T183-E186 WeakPolarHBondContact CA-OE2 3.24Å; T183-E186 WeakPolarHBondContact CB-OE2 3.29Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.49Å; T183-E186 PolarHBondContact N-OE2 2.91Å; T183-E186 PolarHBondContact O-N 3.1Å; T183-E186 PolarHBondContact OG1-OE2 3Å; T183-V187 WeakPolarHBondContact O-CG2 3.25Å; T183-V187 PolarHBondContact O-N 3.44Å; T183-V187 VanDerWaalsContact O-N 3.14Å
184R97.3Very high96.8Very high230 Ų23064.8 Ų64.887%0.86836%0.36SS*.Hα-helixtrans-58.1-29.5174.1-62.8-178.2-176.2176.40.9112.5A188R184-A188 WeakPolarHBondContact O-CB 3.27Å; R184-A188 PolarHBondContact O-N 3.35Å
185L97.5Very high96.9Very high44 Ų4467.9 Ų67.923%0.2338%0.382CS..Hα-helixtrans-72.2-41.3178.4-73.2176.6000112.1M103 R106 M110 A122 T183 A188 N189M103-L185 HydrophobicContact CE-CD2 3.97Å; R106-L185 HydrophobicContact CB-CD1 4.48Å; R106-L185 HydrophobicContact CB-CD2 4.3Å; R106-L185 HydrophobicContact CG-CD1 4.04Å; M110-L185 HydrophobicContact CE-CB 4.2Å; M110-L185 HydrophobicContact CE-CD2 3.81Å; M110-L185 WeakPolarHBondContact CE-O 3.43Å; A122-L185 HydrophobicContact CB-CB 4.3Å; T183-L185 PolarHBondContact O-N 3.04Å; T183-L185 PolarHBondContact OG1-N 2.71Å; T183-L185 VanDerWaalsContact OG1-N 3.12Å; L185-A188 PolarHBondContact O-N 3.04Å; L185-N189 WeakPolarHBondContact O-CB 3.22Å; L185-N189 PolarHBondContact O-N 3.47Å
186E97.6Very high97.1Very high17 Ų1764 Ų648%0.07936%0.361CS..Hα-helixtrans-63.3-43.5173.8-71.185.916800110.7A122 S123 R126 I182 T183 A188 N189 V190A122-E186 HydrophobicContact CB-CG 4.16Å; S123-E186 VanDerWaalsContact OG-CG 3.26Å; S123-E186 WeakPolarHBondContact OG-CG 3.49Å; R126-E186 VanDerWaalsContact CD-OE1 3.29Å; R126-E186 WeakPolarHBondContact CD-OE1 3.3Å; R126-E186 IonicContact CZ-OE1 3.76Å; R126-E186 IonicContact NH1-OE1 3.33Å; R126-E186 PolarHBondContact NH1-OE1 2.87Å; I182-E186 HydrophobicContact CG2-CB 4.05Å; T183-E186 VanDerWaalsContact CA-OE2 3.25Å; T183-E186 WeakPolarHBondContact CA-OE2 3.24Å; T183-E186 WeakPolarHBondContact CB-OE2 3.29Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.49Å; T183-E186 PolarHBondContact N-OE2 2.91Å; T183-E186 PolarHBondContact O-N 3.1Å; T183-E186 PolarHBondContact OG1-OE2 3Å; E186-A188 PolarHBondContact O-N 3.37Å; E186-N189 PolarHBondContact O-N 3.49Å; E186-V190 VanDerWaalsContact O-CG2 3.31Å; E186-V190 WeakPolarHBondContact O-CG2 3.29Å; E186-V190 PolarHBondContact O-N 2.97Å
187V98.4Very high97.3Very high89 Ų8960.7 Ų60.754%0.53934%0.337SS..Hα-helixtrans-60.1-45175.2177.10000111.3I182 T183 V190 A191I182-V187 HydrophobicContact CG2-CG2 3.8Å; T183-V187 WeakPolarHBondContact O-CG2 3.25Å; T183-V187 PolarHBondContact O-N 3.44Å; T183-V187 VanDerWaalsContact O-N 3.14Å; V187-V190 PolarHBondContact O-N 3.43Å; V187-A191 WeakPolarHBondContact O-CB 3.47Å; V187-A191 PolarHBondContact O-N 3.4Å
188A98.5Very high97.5Very high23 Ų2363 Ų6319%0.1935%0.353CS..Hα-helixtrans-63.4-41.7176.700000112.2W107 M110 R184 L185 E186 V190 A191 V192W107-A188 HydrophobicContact CH2-CB 4.01Å; W107-A188 HydrophobicContact CZ3-CB 4.11Å; M110-A188 HydrophobicContact CE-CB 4.17Å; M110-A188 HydrophobicContact SD-CB 4.29Å; R184-A188 WeakPolarHBondContact O-CB 3.27Å; R184-A188 PolarHBondContact O-N 3.35Å; L185-A188 PolarHBondContact O-N 3.04Å; E186-A188 PolarHBondContact O-N 3.37Å; A188-V190 PolarHBondContact O-N 2.86Å; A188-A191 PolarHBondContact O-N 3.05Å; A188-V192 WeakPolarHBondContact O-CB 3.41Å; A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.41Å
189N98.4Very high97.6Very high1 Ų164 Ų641%0.00536%0.364CS..Hα-helixtrans-62.5-43.7177.3-165.7170.5000111.2M110 P119 S121 A122 L185 E186 Q193M110-N189 HydrophobicContact CE-CB 4.05Å; M110-N189 HydrophobicContact CG-CB 4.09Å; M110-N189 HydrophobicContact SD-CB 4.09Å; P119-N189 HydrophobicContact CB-CB 4.47Å; S121-N189 PolarHBondContact N-OD1 3.44Å; S121-N189 VanDerWaalsContact N-OD1 3.1Å; S121-N189 PolarHBondContact OG-OD1 3.2Å; A122-N189 HydrophobicContact CB-CB 3.97Å; A122-N189 PolarHBondContact N-OD1 3.05Å; L185-N189 WeakPolarHBondContact O-CB 3.22Å; L185-N189 PolarHBondContact O-N 3.47Å; E186-N189 PolarHBondContact O-N 3.49Å; N189-Q193 WeakPolarHBondContact O-CB 3.49Å; N189-Q193 PolarHBondContact O-N 2.83Å
190V98.4Very high97.8Very high61 Ų6160.1 Ų60.137%0.3734%0.339SS..Hα-helixtrans-60.8-50.5175.8171.10000110.5P119 E186 V187 A188 V192 Q193 L194P119-V190 HydrophobicContact CB-CB 4.38Å; P119-V190 HydrophobicContact CB-CG2 3.95Å; P119-V190 HydrophobicContact CG-CB 4.34Å; P119-V190 HydrophobicContact CG-CG2 3.75Å; E186-V190 VanDerWaalsContact O-CG2 3.31Å; E186-V190 WeakPolarHBondContact O-CG2 3.29Å; E186-V190 PolarHBondContact O-N 2.97Å; V187-V190 PolarHBondContact O-N 3.43Å; A188-V190 PolarHBondContact O-N 2.86Å; V190-V192 PolarHBondContact O-N 3.46Å; V190-Q193 PolarHBondContact O-N 3.42Å; V190-L194 HydrophobicContact CG1-CD1 3.67Å; V190-L194 HydrophobicContact CG1-CG 4.17Å; V190-L194 WeakPolarHBondContact O-CB 3.06Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.06Å
191A98.6Very high98Very high51 Ų5165.6 Ų65.642%0.42136%0.36SS..Hα-helixtrans-57.9-51.3179.500000111.5V187 A188 Q193 L194 S195V187-A191 WeakPolarHBondContact O-CB 3.47Å; V187-A191 PolarHBondContact O-N 3.4Å; A188-A191 PolarHBondContact O-N 3.05Å; A191-Q193 PolarHBondContact O-N 2.87Å; A191-L194 PolarHBondContact O-N 3.23Å; A191-S195 VanDerWaalsContact O-CB 3.28Å; A191-S195 WeakPolarHBondContact O-CB 3.28Å; A191-S195 PolarHBondContact O-N 3.49Å; A191-S195 PolarHBondContact O-OG 3.48Å
192V98.6Very high98.2Very high57 Ų5771 Ų7135%0.34537%0.368SS..Hα-helixtrans-59.7-46.8179.7169.10000111.6L114 A188 V190 F196L114-V192 HydrophobicContact CD2-CG1 3.75Å; A188-V192 WeakPolarHBondContact O-CB 3.41Å; A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.41Å; V190-V192 PolarHBondContact O-N 3.46Å; V192-F196 WeakPolarHBondContact O-CB 3.39Å; V192-F196 PolarHBondContact O-N 2.91Å
193Q98.7Very high98.3Very high0 Ų069.4 Ų69.40%036%0.36CS..Hα-helixtrans-68.1-44.3-178.2-171.264.957.400112N113 L114 G117 P119 N189 V190 A191 F196 N197N113-Q193 PolarHBondContact ND2-OE1 2.84Å; N113-Q193 PolarHBondContact O-OE1 3.01Å; L114-Q193 PolarHBondContact O-NE2 3.38Å; G117-Q193 VanDerWaalsContact CA-NE2 3.32Å; P119-Q193 HydrophobicContact CB-CB 3.77Å; P119-Q193 HydrophobicContact CB-CG 4.24Å; P119-Q193 HydrophobicContact CG-CB 4.44Å; N189-Q193 WeakPolarHBondContact O-CB 3.49Å; N189-Q193 PolarHBondContact O-N 2.83Å; V190-Q193 PolarHBondContact O-N 3.42Å; A191-Q193 PolarHBondContact O-N 2.87Å; Q193-F196 PolarHBondContact O-N 3.5Å; Q193-N197 PolarHBondContact NE2-OD1 3.27Å; Q193-N197 WeakPolarHBondContact O-CB 3.48Å; Q193-N197 PolarHBondContact O-N 2.99Å; Q193-N197 PolarHBondContact O-OD1 3.49Å; Q193-N197 VanDerWaalsContact O-OD1 3.06Å
194L98.4Very high98.3Very high91 Ų9170.3 Ų70.348%0.47636%0.36SS..Hα-helixtrans-67.1-41.7179.9-68-176.6000111.3V190 A191 F196 N197 V198V190-L194 HydrophobicContact CG1-CD1 3.67Å; V190-L194 HydrophobicContact CG1-CG 4.17Å; V190-L194 WeakPolarHBondContact O-CB 3.06Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.06Å; A191-L194 PolarHBondContact O-N 3.23Å; L194-F196 VanDerWaalsContact C-N 3.3Å; L194-F196 PolarHBondContact O-N 3.12Å; L194-N197 PolarHBondContact O-N 3.29Å; L194-V198 WeakPolarHBondContact O-CB 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.31Å; L194-V198 PolarHBondContact O-N 3.15Å
195S98.6Very high98.3Very high79 Ų7960.7 Ų60.755%0.55233%0.332SS*.Hα-helixtrans-59.2-42.4172.9-660000111.7A191 A199A191-S195 VanDerWaalsContact O-CB 3.28Å; A191-S195 WeakPolarHBondContact O-CB 3.28Å; A191-S195 PolarHBondContact O-N 3.49Å; A191-S195 PolarHBondContact O-OG 3.48Å; S195-A199 VanDerWaalsContact O-CB 3.3Å; S195-A199 WeakPolarHBondContact O-CB 3.49Å; S195-A199 PolarHBondContact O-N 3.45Å
196F98.6Very high98.4Very high35 Ų3560.8 Ų60.815%0.15434%0.339CS..Hα-helixtrans-64.4-46175.5179.7-101000112.3F55 F58 L114 V192 Q193 L194 V198 A199 L200 M212F55-F196 HydrophobicContact CD1-CZ 4.07Å; F55-F196 HydrophobicContact CE1-CE1 4.35Å; F55-F196 AromaticContact CE1-CE2 3.62Å; F55-F196 HydrophobicContact CE1-CE2 3.62Å; F55-F196 AromaticContact CE1-CZ 3.34Å; F55-F196 HydrophobicContact CE1-CZ 3.34Å; F55-F196 HydrophobicContact CE2-CE2 4.25Å; F55-F196 HydrophobicContact CZ-CD2 4.46Å; F55-F196 AromaticContact CZ-CE2 3.46Å; F55-F196 HydrophobicContact CZ-CE2 3.46Å; F55-F196 VanDerWaalsContact CZ-CE2 3.46Å; F55-F196 AromaticContact CZ-CZ 3.72Å; F55-F196 HydrophobicContact CZ-CZ 3.72Å; F58-F196 HydrophobicContact CD2-CZ 4.29Å; F58-F196 HydrophobicContact CE2-CE1 4.07Å; F58-F196 AromaticContact CE2-CZ 3.92Å; F58-F196 HydrophobicContact CE2-CZ 3.92Å; L114-F196 HydrophobicContact CB-CD1 4.1Å; L114-F196 HydrophobicContact CB-CE1 4.12Å; L114-F196 HydrophobicContact CB-CG 4.3Å; L114-F196 HydrophobicContact CB-CZ 4.35Å; L114-F196 HydrophobicContact CD1-CD2 4.28Å; L114-F196 HydrophobicContact CD2-CB 3.75Å; L114-F196 HydrophobicContact CD2-CD1 4.24Å; L114-F196 HydrophobicContact CD2-CD2 4.24Å; L114-F196 HydrophobicContact CD2-CG 3.81Å; L114-F196 HydrophobicContact CG-CG 4.47Å; L114-F196 WeakPolarHBondContact O-CE1 3.47Å; V192-F196 WeakPolarHBondContact O-CB 3.39Å; V192-F196 PolarHBondContact O-N 2.91Å; Q193-F196 PolarHBondContact O-N 3.5Å; L194-F196 VanDerWaalsContact C-N 3.3Å; L194-F196 PolarHBondContact O-N 3.12Å; F196-V198 VanDerWaalsContact C-N 3.33Å; F196-V198 PolarHBondContact O-N 3.2Å; F196-A199 PolarHBondContact O-N 3.39Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 HydrophobicContact CZ-CD1 4.4Å; F196-L200 WeakPolarHBondContact O-CB 3.37Å; F196-L200 PolarHBondContact O-N 3.22Å; F196-M212 HydrophobicContact CD1-SD 4.41Å; F196-M212 HydrophobicContact CE1-SD 3.93Å
197N98.6Very high98.4Very high21 Ų2162.3 Ų62.311%0.11235%0.346CS..Hα-helixtrans-59.4-44178.3-68.64.8000111.5G117 Q193 L194 L200 Y201 M212G117-N197 PolarHBondContact O-ND2 3.27Å; Q193-N197 PolarHBondContact NE2-OD1 3.27Å; Q193-N197 WeakPolarHBondContact O-CB 3.48Å; Q193-N197 PolarHBondContact O-N 2.99Å; Q193-N197 PolarHBondContact O-OD1 3.49Å; Q193-N197 VanDerWaalsContact O-OD1 3.06Å; L194-N197 PolarHBondContact O-N 3.29Å; N197-L200 PolarHBondContact O-N 3.32Å; N197-Y201 PolarHBondContact O-N 2.85Å; N197-M212 HydrophobicContact CB-CE 4.49Å; N197-M212 WeakPolarHBondContact OD1-CE 3.34Å
198V98.6Very high98.4Very high98 Ų9858 Ų5859%0.59432%0.32SS*.Hα-helixtrans-65.8-44.9177.2170.80000111L194 F196 L200 Y201 W202L194-V198 WeakPolarHBondContact O-CB 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.31Å; L194-V198 PolarHBondContact O-N 3.15Å; F196-V198 VanDerWaalsContact C-N 3.33Å; F196-V198 PolarHBondContact O-N 3.2Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.86Å; V198-Y201 PolarHBondContact O-N 3.37Å; V198-W202 WeakPolarHBondContact O-CB 3.26Å; V198-W202 PolarHBondContact O-N 3.01Å
199A98.6Very high98.4Very high43 Ų4358.2 Ų58.236%0.35532%0.318SS..Hα-helixtrans-60.8-42.3176.200000111.5S195 F196 W202 L203S195-A199 VanDerWaalsContact O-CB 3.3Å; S195-A199 WeakPolarHBondContact O-CB 3.49Å; S195-A199 PolarHBondContact O-N 3.45Å; F196-A199 PolarHBondContact O-N 3.39Å; A199-W202 PolarHBondContact O-N 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.34Å; A199-L203 VanDerWaalsContact O-CG 3.23Å; A199-L203 WeakPolarHBondContact O-CG 3.43Å; A199-L203 PolarHBondContact O-N 2.79Å
200L98.4Very high98.4Very high8 Ų860.6 Ų60.64%0.04233%0.333CS..Hα-helixtrans-61.8-45.2177.6-168.272.7000111.7F58 F196 N197 V198 F204 P208 V209 M212F58-L200 HydrophobicContact CB-CD1 3.95Å; F58-L200 HydrophobicContact CD2-CD1 3.74Å; F58-L200 HydrophobicContact CD2-CD2 4.11Å; F58-L200 HydrophobicContact CE2-CD2 4.33Å; F58-L200 HydrophobicContact CG-CD1 4.04Å; F58-L200 HydrophobicContact CG-CD2 4.25Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 HydrophobicContact CZ-CD1 4.4Å; F196-L200 WeakPolarHBondContact O-CB 3.37Å; F196-L200 PolarHBondContact O-N 3.22Å; N197-L200 PolarHBondContact O-N 3.32Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.86Å; L200-F204 HydrophobicContact CD1-CD2 3.77Å; L200-F204 HydrophobicContact CD1-CE2 4.22Å; L200-F204 PolarHBondContact O-N 3.4Å; L200-P208 HydrophobicContact CD1-CB 4.49Å; L200-P208 HydrophobicContact CD2-CB 4.11Å; L200-P208 HydrophobicContact CG-CB 4.19Å; L200-V209 HydrophobicContact CB-CG2 4.49Å; L200-V209 HydrophobicContact CD2-CG2 4.23Å; L200-V209 HydrophobicContact CG-CG2 4.43Å; L200-M212 HydrophobicContact CD2-CE 3.93Å; L200-M212 HydrophobicContact CD2-SD 4.2Å
201Y98.6Very high98.4Very high142 Ų14257.8 Ų57.856%0.55732%0.316SS*.Hα-helixtrans-61-46174.9-179.3-98.2000112N197 V198 L203 G205 A206 V209N197-Y201 PolarHBondContact O-N 2.85Å; V198-Y201 PolarHBondContact O-N 3.37Å; Y201-L203 PolarHBondContact O-N 2.78Å; Y201-G205 WeakPolarHBondContact O-CA 3.29Å; Y201-G205 PolarHBondContact O-N 2.68Å; Y201-A206 HydrophobicContact CD2-CB 4.47Å; Y201-A206 HydrophobicContact CE2-CB 4.03Å; Y201-V209 HydrophobicContact CD2-CG2 4.31Å
202W98.4Very high98.3Very high209 Ų20955.3 Ų55.379%0.79230%0.296SS*.Hα-helixtrans-67.8-36.8-176.8-172.476.8000112.4V198 A199V198-W202 WeakPolarHBondContact O-CB 3.26Å; V198-W202 PolarHBondContact O-N 3.01Å; A199-W202 PolarHBondContact O-N 3.28Å
203L97.8Very high98.2Very high106 Ų10656.3 Ų56.356%0.55530%0.297SS*.Hα-helixtrans-80.1-38.6-179.2-68.2171.4000113.6A199 Y201A199-L203 WeakPolarHBondContact O-CB 3.34Å; A199-L203 VanDerWaalsContact O-CG 3.23Å; A199-L203 WeakPolarHBondContact O-CG 3.43Å; A199-L203 PolarHBondContact O-N 2.79Å; Y201-L203 PolarHBondContact O-N 2.78Å
204F97.9Very high98.1Very high71 Ų7157.3 Ų57.331%0.31131%0.306SS..Hα-helixtrans-129.32.1-168.8-54.3-51000114.7Y59 K62 L200 P208Y59-F204 HydrophobicContact CD2-CD1 4.33Å; Y59-F204 AromaticContact CD2-CE1 3.73Å; Y59-F204 HydrophobicContact CD2-CE1 3.73Å; Y59-F204 HydrophobicContact CD2-CZ 4.17Å; Y59-F204 HydrophobicContact CE2-CE1 4.43Å; K62-F204 HydrophobicContact CB-CB 4.25Å; K62-F204 HydrophobicContact CD-CB 4.27Å; K62-F204 HydrophobicContact CD-CD1 3.78Å; K62-F204 HydrophobicContact CD-CG 4.33Å; L200-F204 HydrophobicContact CD1-CD2 3.77Å; L200-F204 HydrophobicContact CD1-CE2 4.22Å; L200-F204 PolarHBondContact O-N 3.4Å; F204-P208 HydrophobicContact CB-CG 3.72Å
205G98Very high98Very high29 Ų2953 Ų5330%0.29928%0.283SS..  trans79.4-163.8178.300000114.4Y201 P208Y201-G205 WeakPolarHBondContact O-CA 3.29Å; Y201-G205 PolarHBondContact O-N 2.68Å; G205-P208 WeakPolarHBondContact O-CD 3.34Å
206A98.1Very high97.7Very high45 Ų4549.3 Ų49.337%0.37226%0.258SS..Hα-helixtrans-73.7-32.9-17100000114.5Y201 V209 V210Y201-A206 HydrophobicContact CD2-CB 4.47Å; Y201-A206 HydrophobicContact CE2-CB 4.03Å; A206-V209 PolarHBondContact O-N 2.97Å; A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 3.36Å
207K98.6Very high97.4Very high49 Ų4951.4 Ų51.421%0.21327%0.27CS..Hα-helixtrans-59.8-45.3-171.1-67.3172.5-172.5170.10113.2K62 L64 W66 V69 V209 V210 Y211K62-K207 VanDerWaalsContact O-CD 3.27Å; K62-K207 WeakPolarHBondContact O-CD 3.26Å; K62-K207 PolarHBondContact O-NZ 3.06Å; L64-K207 VanDerWaalsContact O-CE 3.23Å; L64-K207 WeakPolarHBondContact O-CE 3.08Å; L64-K207 PolarHBondContact O-NZ 3.44Å; W66-K207 HydrophobicContact CD2-CG 4.41Å; W66-K207 HydrophobicContact CE3-CG 4.39Å; W66-K207 HydrophobicContact CH2-CB 4.44Å; W66-K207 HydrophobicContact CH2-CG 3.78Å; W66-K207 HydrophobicContact CZ2-CG 3.79Å; W66-K207 HydrophobicContact CZ3-CG 4.08Å; V69-K207 HydrophobicContact CG2-CB 4.21Å; V69-K207 HydrophobicContact CG2-CD 4.03Å; V69-K207 HydrophobicContact CG2-CG 4.22Å; K207-V209 VanDerWaalsContact C-N 3.33Å; K207-V209 PolarHBondContact O-N 3.09Å; K207-V210 PolarHBondContact O-N 2.92Å; K207-Y211 WeakPolarHBondContact O-CB 3.24Å; K207-Y211 PolarHBondContact O-N 3.06Å
208P98.3Very high97.2Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-67.6-32.5178.1-22.737.5000113.4F58 V61 K62 L200 F204 G205 Y211 M212F58-P208 HydrophobicContact CB-CB 3.93Å; F58-P208 HydrophobicContact CD1-CB 4.39Å; F58-P208 HydrophobicContact CG-CB 4.39Å; F58-P208 WeakPolarHBondContact O-CG 3.44Å; V61-P208 HydrophobicContact CG2-CB 4.01Å; V61-P208 HydrophobicContact CG2-CG 3.92Å; K62-P208 HydrophobicContact CB-CG 4.04Å; L200-P208 HydrophobicContact CD1-CB 4.49Å; L200-P208 HydrophobicContact CD2-CB 4.11Å; L200-P208 HydrophobicContact CG-CB 4.19Å; F204-P208 HydrophobicContact CB-CG 3.72Å; G205-P208 WeakPolarHBondContact O-CD 3.34Å; P208-Y211 PolarHBondContact O-N 2.86Å; P208-M212 VanDerWaalsContact O-CB 3.32Å; P208-M212 WeakPolarHBondContact O-CB 3.2Å; P208-M212 PolarHBondContact O-N 3.2Å
209V98.3Very high96.9Very high26 Ų2649 Ų4916%0.15825%0.253CS..Hα-helixtrans-65.4-44.7174.2-178.30000110.6L200 Y201 A206 K207 M212 M213L200-V209 HydrophobicContact CB-CG2 4.49Å; L200-V209 HydrophobicContact CD2-CG2 4.23Å; L200-V209 HydrophobicContact CG-CG2 4.43Å; Y201-V209 HydrophobicContact CD2-CG2 4.31Å; A206-V209 PolarHBondContact O-N 2.97Å; K207-V209 VanDerWaalsContact C-N 3.33Å; K207-V209 PolarHBondContact O-N 3.09Å; V209-M212 PolarHBondContact O-N 3.38Å; V209-M213 HydrophobicContact CG1-SD 4.31Å; V209-M213 WeakPolarHBondContact O-CG 3.28Å; V209-M213 PolarHBondContact O-N 3.48Å
210V98.1Very high96.7Very high52 Ų5248.2 Ų48.232%0.31524%0.243SC..Hα-helixtrans-62.2-47.5174.6173.50000110.6W66 A206 K207 M212 M213 A214W66-V210 HydrophobicContact CH2-CB 4.33Å; W66-V210 HydrophobicContact CH2-CG2 3.95Å; W66-V210 HydrophobicContact CZ3-CB 3.99Å; W66-V210 HydrophobicContact CZ3-CG1 3.95Å; W66-V210 HydrophobicContact CZ3-CG2 4.06Å; A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 3.36Å; K207-V210 PolarHBondContact O-N 2.92Å; V210-M212 VanDerWaalsContact C-N 3.28Å; V210-M212 PolarHBondContact O-N 3.23Å; V210-M213 PolarHBondContact O-N 3.38Å; V210-A214 HydrophobicContact CG1-CB 4.44Å; V210-A214 WeakPolarHBondContact O-CB 3.4Å; V210-A214 PolarHBondContact O-N 2.96Å
211Y98.4Very high96.4Very high1 Ų147.9 Ų47.90%0.00424%0.241CC..Hα-helixtrans-54.7-44.6175.9167.5-87.5000111.9Q54 A57 F58 V61 W72 T73 F76 G77 K207 P208 G215Q54-Y211 PolarHBondContact OE1-OH 3.2Å; A57-Y211 HydrophobicContact CB-CE1 4.18Å; F58-Y211 AromaticContact CD1-CD1 3.59Å; F58-Y211 HydrophobicContact CD1-CD1 3.59Å; F58-Y211 AromaticContact CD1-CE1 3.77Å; F58-Y211 HydrophobicContact CD1-CE1 3.77Å; F58-Y211 AromaticContact CE1-CD1 3.56Å; F58-Y211 HydrophobicContact CE1-CD1 3.56Å; F58-Y211 AromaticContact CE1-CE1 3.62Å; F58-Y211 HydrophobicContact CE1-CE1 3.62Å; V61-Y211 HydrophobicContact CG1-CD2 3.87Å; V61-Y211 HydrophobicContact CG1-CE2 4.14Å; V61-Y211 HydrophobicContact CG1-CG 4.27Å; V61-Y211 HydrophobicContact CG2-CG 4.2Å; W72-Y211 HydrophobicContact CB-CE2 4.48Å; T73-Y211 WeakPolarHBondContact OG1-CA 3.3Å; T73-Y211 VanDerWaalsContact OG1-CD2 3.31Å; T73-Y211 WeakPolarHBondContact OG1-CD2 3.13Å; F76-Y211 VanDerWaalsContact CD1-OH 3.29Å; F76-Y211 WeakPolarHBondContact CD1-OH 3.48Å; G77-Y211 VanDerWaalsContact CA-CZ 3.49Å; G77-Y211 WeakPolarHBondContact CA-OH 3.32Å; G77-Y211 PolarHBondContact N-OH 3.47Å; K207-Y211 WeakPolarHBondContact O-CB 3.24Å; K207-Y211 PolarHBondContact O-N 3.06Å; P208-Y211 PolarHBondContact O-N 2.86Å; Y211-G215 WeakPolarHBondContact O-CA 3.37Å; Y211-G215 PolarHBondContact O-N 3.26Å
212M97.5Very high96.1Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-64.2-53.6178.7-176.7173.460.500112.3F58 N81 P115 F196 N197 L200 P208 V209 V210 S216F58-M212 HydrophobicContact CE1-CB 3.82Å; F58-M212 HydrophobicContact CE1-CG 4.2Å; F58-M212 HydrophobicContact CE2-SD 4.34Å; F58-M212 HydrophobicContact CZ-CB 4.06Å; F58-M212 HydrophobicContact CZ-CG 3.94Å; F58-M212 HydrophobicContact CZ-SD 3.86Å; N81-M212 PolarHBondContact ND2-O 2.96Å; P115-M212 VanDerWaalsContact O-CG 3.24Å; P115-M212 WeakPolarHBondContact O-CG 3.28Å; F196-M212 HydrophobicContact CD1-SD 4.41Å; F196-M212 HydrophobicContact CE1-SD 3.93Å; N197-M212 HydrophobicContact CB-CE 4.49Å; N197-M212 WeakPolarHBondContact OD1-CE 3.34Å; L200-M212 HydrophobicContact CD2-CE 3.93Å; L200-M212 HydrophobicContact CD2-SD 4.2Å; P208-M212 VanDerWaalsContact O-CB 3.32Å; P208-M212 WeakPolarHBondContact O-CB 3.2Å; P208-M212 PolarHBondContact O-N 3.2Å; V209-M212 PolarHBondContact O-N 3.38Å; V210-M212 VanDerWaalsContact C-N 3.28Å; V210-M212 PolarHBondContact O-N 3.23Å; M212-S216 PolarHBondContact O-N 3.26Å; M212-S216 PolarHBondContact O-OG 2.99Å
213M96.1Very high96Very high77 Ų7734.7 Ų34.738%0.37920%0.195SC..Hα-helixtrans-72.8-42.5-175.1-66.2-169.374.400112.5L118 V209 V210 G215 S216 L217L118-M213 HydrophobicContact CD2-CE 4.02Å; V209-M213 HydrophobicContact CG1-SD 4.31Å; V209-M213 WeakPolarHBondContact O-CG 3.28Å; V209-M213 PolarHBondContact O-N 3.48Å; V210-M213 PolarHBondContact O-N 3.38Å; M213-G215 VanDerWaalsContact C-N 3.33Å; M213-S216 WeakPolarHBondContact O-CB 3.05Å; M213-S216 PolarHBondContact O-N 3.15Å; M213-L217 PolarHBondContact O-N 3.5Å; M213-L217 VanDerWaalsContact O-N 3.12Å
214A95.8Very high95.9Very high22 Ų2231.9 Ų31.918%0.18218%0.183CC..Hα-helixtrans-69.3-33.2177.300000111.4T73 V210 S216 L217 L218T73-A214 HydrophobicContact CG2-CB 3.83Å; V210-A214 HydrophobicContact CG1-CB 4.44Å; V210-A214 WeakPolarHBondContact O-CB 3.4Å; V210-A214 PolarHBondContact O-N 2.96Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 2.87Å; A214-L217 PolarHBondContact O-N 2.89Å; A214-L218 VanDerWaalsContact O-CB 3.3Å; A214-L218 WeakPolarHBondContact O-CB 3.24Å; A214-L218 VanDerWaalsContact O-CG 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.5Å
215G95.9Very high95.8Very high0 Ų028.6 Ų28.60%017%0.169CC..Hα-helixtrans-61.6-38.5173.400000112.2S78 Y211 M213 G219S78-G215 WeakPolarHBondContact CA-O 3.27Å; S78-G215 PolarHBondContact OG-O 3.1Å; Y211-G215 WeakPolarHBondContact O-CA 3.37Å; Y211-G215 PolarHBondContact O-N 3.26Å; M213-G215 VanDerWaalsContact C-N 3.33Å; G215-G219 WeakPolarHBondContact O-CA 3.37Å; G215-G219 PolarHBondContact O-N 3.3Å
216S93.1Very high95.7Very high2 Ų227.2 Ų27.21%0.01415%0.154CC..Hα-helixtrans-65.4-46.7173.6-65.30000112.3N81 I116 M212 M213 A214 M220N81-S216 PolarHBondContact ND2-N 3.15Å; N81-S216 PolarHBondContact ND2-OG 2.93Å; I116-S216 WeakPolarHBondContact CA-OG 3.49Å; I116-S216 PolarHBondContact O-OG 3.27Å; M212-S216 PolarHBondContact O-N 3.26Å; M212-S216 PolarHBondContact O-OG 2.99Å; M213-S216 WeakPolarHBondContact O-CB 3.05Å; M213-S216 PolarHBondContact O-N 3.15Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 2.87Å; S216-M220 WeakPolarHBondContact O-CB 3.4Å; S216-M220 WeakPolarHBondContact O-CE 3.41Å; S216-M220 PolarHBondContact O-N 3Å
217L92.6Very high95.6Very high78 Ų7825.1 Ų25.141%0.40814%0.137SC..Hα-helixtrans-64.3-45.4178.7-69.4173.3000112.4P167 L168 M213 A214 G221P167-L217 HydrophobicContact CB-CD2 4.13Å; P167-L217 VanDerWaalsContact CG-O 3.29Å; P167-L217 WeakPolarHBondContact CG-O 3.27Å; L168-L217 HydrophobicContact CD2-CD2 4.06Å; M213-L217 PolarHBondContact O-N 3.5Å; M213-L217 VanDerWaalsContact O-N 3.12Å; A214-L217 PolarHBondContact O-N 2.89Å; L217-G221 WeakPolarHBondContact O-CA 3.49Å; L217-G221 PolarHBondContact O-N 2.77Å
218L93.5Very high95.5Very high68 Ų6823 Ų2336%0.35613%0.127SC..Hα-helixtrans-70.4-45.8-179.9-69171.1000111T73 Y74 S78 A214 M220 G221 H223T73-L218 HydrophobicContact CG2-CD1 4.09Å; Y74-L218 HydrophobicContact CD2-CB 4.16Å; Y74-L218 HydrophobicContact CD2-CD1 4.27Å; S78-L218 WeakPolarHBondContact OG-CB 3.22Å; A214-L218 VanDerWaalsContact O-CB 3.3Å; A214-L218 WeakPolarHBondContact O-CB 3.24Å; A214-L218 VanDerWaalsContact O-CG 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.5Å; L218-M220 PolarHBondContact O-N 3.33Å; L218-G221 PolarHBondContact O-N 2.88Å; L218-H223 WeakPolarHBondContact O-CB 3.31Å
219G93.6Very high95.3Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-64.4-40-178.500000113.5H82 G215 H223H82-G219 PolarHBondContact ND1-O 2.63Å; G215-G219 WeakPolarHBondContact O-CA 3.37Å; G215-G219 PolarHBondContact O-N 3.3Å; G219-H223 WeakPolarHBondContact O-CB 2.9Å
220M92.9Very high95.2Very high28 Ų2822.9 Ų22.914%0.13813%0.125CC..Hα-helixtrans-87.1-7176.1-65.9-178.9-73.600113.3T85 Q166 P167 S216 L218 F229T85-M220 HydrophobicContact CG2-CG 4.42Å; T85-M220 HydrophobicContact CG2-SD 3.83Å; Q166-M220 PolarHBondContact OE1-O 3.1Å; P167-M220 HydrophobicContact CB-CB 3.98Å; P167-M220 HydrophobicContact CB-CE 4.31Å; P167-M220 HydrophobicContact CG-CB 3.71Å; S216-M220 WeakPolarHBondContact O-CB 3.4Å; S216-M220 WeakPolarHBondContact O-CE 3.41Å; S216-M220 PolarHBondContact O-N 3Å; L218-M220 PolarHBondContact O-N 3.33Å; M220-F229 HydrophobicContact CB-CE2 4.09Å; M220-F229 HydrophobicContact CB-CZ 4.49Å; M220-F229 HydrophobicContact CG-CE2 4.33Å; M220-F229 HydrophobicContact CG-CZ 4.33Å
221G93.4Very high95.1Very high0 Ų020.5 Ų20.50%011%0.111CC..SBendtrans-97.4-120179.700000111.6I163 L217 L218 H223 S226I163-G221 CarbonylContact O-C 3.44Å; I163-G221 VanDerWaalsContact O-CA 3.28Å; I163-G221 WeakPolarHBondContact O-CA 3.3Å; L217-G221 WeakPolarHBondContact O-CA 3.49Å; L217-G221 PolarHBondContact O-N 2.77Å; L218-G221 PolarHBondContact O-N 2.88Å; G221-H223 PolarHBondContact O-N 3.01Å; G221-H223 VanDerWaalsContact O-N 3.12Å; G221-S226 VanDerWaalsContact O-CB 3.26Å; G221-S226 WeakPolarHBondContact O-CB 3.48Å; G221-S226 PolarHBondContact O-OG 2.96Å
222L91.4Very high95Very high63 Ų6321.5 Ų21.533%0.3312%0.115SC..SBendtrans-82.188.9175.8-172.670.2000110.8F160 I163 I164F160-L222 HydrophobicContact CE2-CD1 4.42Å; F160-L222 HydrophobicContact CE2-CD2 3.56Å; F160-L222 HydrophobicContact CZ-CD2 4.02Å; I163-L222 HydrophobicContact CG2-CB 4.21Å; I163-L222 HydrophobicContact CG2-CD1 3.8Å; I164-L222 HydrophobicContact CG1-CB 4.02Å
223H95.9Very high95Very high11 Ų1121.7 Ų21.75%0.05112%0.116CC..SBendtrans-144.1146.7177.6-171.6-97.8000110.1C79 L218 G219 G221 I225 S226 L297C79-H223 VanDerWaalsContact SG-CE1 3.58Å; C79-H223 PolarHBondContact SG-NE2 3.12Å; L218-H223 WeakPolarHBondContact O-CB 3.31Å; G219-H223 WeakPolarHBondContact O-CB 2.9Å; G221-H223 PolarHBondContact O-N 3.01Å; G221-H223 VanDerWaalsContact O-N 3.12Å; H223-I225 PolarHBondContact ND1-N 3.22Å; H223-I225 PolarHBondContact O-N 2.48Å; H223-S226 PolarHBondContact N-OG 3.07Å; H223-S226 PolarHBondContact O-N 2.92Å; H223-S226 PolarHBondContact O-OG 3.24Å; H223-L297 WeakPolarHBondContact O-CD1 3.45Å
224P95.6Very high95Very high48 Ų4818 Ų1831%0.31210%0.098SC..G310 helixtrans-52.2-33.7-178.7-32.238.4000115.2W293 V294P224-W293 WeakPolarHBondContact O-CB 3.4Å; P224-V294 HydrophobicContact CB-CG2 3.65Å; P224-V294 HydrophobicContact CG-CG2 4.23Å
225I96.2Very high95Very high2 Ų217.4 Ų17.41%0.019%0.091CC..G310 helixtrans-73.3-37.7-179.1-52.2176.6000111.4H82 H223 G227 H228 L249 T253 W293H82-I225 WeakPolarHBondContact CD2-CG2 3.42Å; H82-I225 WeakPolarHBondContact NE2-CG2 3.32Å; H223-I225 PolarHBondContact ND1-N 3.22Å; H223-I225 PolarHBondContact O-N 2.48Å; I225-G227 PolarHBondContact O-N 2.89Å; I225-H228 PolarHBondContact O-CD2 2.95Å; I225-H228 VanDerWaalsContact O-CD2 3.25Å; I225-H228 PolarHBondContact O-N 2.74Å; I225-H228 VanDerWaalsContact O-N 3.17Å; I225-L249 HydrophobicContact CG1-CD2 4.37Å; I225-T253 HydrophobicContact CG2-CG2 3.35Å; I225-W293 HydrophobicContact CG2-CE3 4.27Å; I225-W293 HydrophobicContact CG2-CZ3 3.9Å
226S95.8Very high94.9Very high0 Ų019.6 Ų19.60%010%0.101CC..G310 helixtrans-66-8.7-174.867.60000114.9H82 G221 H223 H228 F229H82-S226 VanDerWaalsContact CE1-CA 3.49Å; H82-S226 WeakPolarHBondContact CE1-CA 3.48Å; G221-S226 VanDerWaalsContact O-CB 3.26Å; G221-S226 WeakPolarHBondContact O-CB 3.48Å; G221-S226 PolarHBondContact O-OG 2.96Å; H223-S226 PolarHBondContact N-OG 3.07Å; H223-S226 PolarHBondContact O-N 2.92Å; H223-S226 PolarHBondContact O-OG 3.24Å; S226-H228 PolarHBondContact O-N 3.36Å; S226-F229 WeakPolarHBondContact O-CB 3.48Å; S226-F229 WeakPolarHBondContact O-CD2 3.41Å; S226-F229 PolarHBondContact O-N 3.5Å; S226-F229 VanDerWaalsContact O-N 3.11Å
227G96.8Very high95Very high0 Ų023.9 Ų23.90%012%0.124CC..G310 helixtrans-57.1-20.4169.700000113.3I225 F229 I230 A231I225-G227 PolarHBondContact O-N 2.89Å; G227-F229 PolarHBondContact O-N 2.88Å; G227-I230 PolarHBondContact O-N 3.31Å; G227-A231 VanDerWaalsContact O-CB 3.31Å; G227-A231 WeakPolarHBondContact O-CB 3.4Å; G227-A231 PolarHBondContact O-N 3.18Å
228H96.1Very high94.9Very high4 Ų427.3 Ų27.32%0.01914%0.135CC..Hα-helixtrans-59.5-41.6173.886.889.2000112.6H82 I225 S226 I230 A231 E232 W293H82-H228 AromaticContact CE1-CD2 3.65Å; H82-H228 AromaticContact CE1-NE2 3.43Å; H82-H228 PolarHBondContact CE1-NE2 3.04Å; H82-H228 AromaticContact NE2-CD2 3.1Å; H82-H228 PolarHBondContact NE2-CD2 3.17Å; H82-H228 AromaticContact NE2-NE2 2.95Å; H82-H228 PolarHBondContact NE2-NE2 3.5Å; I225-H228 PolarHBondContact O-CD2 2.95Å; I225-H228 VanDerWaalsContact O-CD2 3.25Å; I225-H228 PolarHBondContact O-N 2.74Å; I225-H228 VanDerWaalsContact O-N 3.17Å; S226-H228 PolarHBondContact O-N 3.36Å; H228-I230 CarbonylContact O-C 3.21Å; H228-I230 PolarHBondContact O-N 3.32Å; H228-A231 PolarHBondContact O-N 3.41Å; H228-E232 IonicContact CE1-OE1 2.74Å; H228-E232 IonicContact CG-OE1 3.77Å; H228-E232 VanDerWaalsContact ND1-CD 3.32Å; H228-E232 IonicContact ND1-OE1 3.68Å; H228-E232 PolarHBondContact ND1-OE1 3.41Å; H228-E232 IonicContact ND1-OE2 3.45Å; H228-E232 PolarHBondContact ND1-OE2 3.34Å; H228-E232 WeakPolarHBondContact O-CB 3.34Å; H228-E232 WeakPolarHBondContact O-CG 3.38Å; H228-E232 PolarHBondContact O-N 2.91Å; H228-W293 HydrophobicContact CB-CD2 3.88Å; H228-W293 VanDerWaalsContact CB-CE2 3.42Å; H228-W293 HydrophobicContact CB-CE3 4.19Å; H228-W293 HydrophobicContact CB-CH2 3.76Å; H228-W293 HydrophobicContact CB-CZ2 3.36Å; H228-W293 HydrophobicContact CB-CZ3 4.15Å
229F94.4Very high94.7Very high25 Ų2527.2 Ų27.211%0.1115%0.15CC..Hα-helixtrans-57.4-23.9177.9-67.5-58.5000113.8H82 Y170 M220 S226 G227H82-F229 AromaticContact CE1-CE2 3.7Å; Y170-F229 HydrophobicContact CE1-CD1 4.18Å; Y170-F229 HydrophobicContact CE1-CE1 4.37Å; Y170-F229 HydrophobicContact CE2-CB 4.44Å; Y170-F229 HydrophobicContact CE2-CD1 4.2Å; Y170-F229 HydrophobicContact CE2-CG 4.34Å; Y170-F229 AromaticContact CZ-CD1 3.79Å; M220-F229 HydrophobicContact CB-CE2 4.09Å; M220-F229 HydrophobicContact CB-CZ 4.49Å; M220-F229 HydrophobicContact CG-CE2 4.33Å; M220-F229 HydrophobicContact CG-CZ 4.33Å; S226-F229 WeakPolarHBondContact O-CB 3.48Å; S226-F229 WeakPolarHBondContact O-CD2 3.41Å; S226-F229 PolarHBondContact O-N 3.5Å; S226-F229 VanDerWaalsContact O-N 3.11Å; G227-F229 PolarHBondContact O-N 2.88Å
230I96.4Very high94.7Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-94.7-47.2173.8-59.5-175.8000110.2W162 I163 G227 H228 E232 Y234 F236 V296 L297 F300W162-I230 HydrophobicContact CZ3-CD1 4.04Å; W162-I230 HydrophobicContact CZ3-CG1 4.29Å; I163-I230 HydrophobicContact CD1-CD1 4.04Å; I163-I230 HydrophobicContact CG1-CD1 3.98Å; G227-I230 PolarHBondContact O-N 3.31Å; H228-I230 CarbonylContact O-C 3.21Å; H228-I230 PolarHBondContact O-N 3.32Å; I230-E232 PolarHBondContact O-N 3.29Å; I230-Y234 HydrophobicContact CB-CD2 4.23Å; I230-Y234 HydrophobicContact CG2-CD2 3.96Å; I230-Y234 HydrophobicContact CG2-CG 3.91Å; I230-Y234 VanDerWaalsContact O-CB 3.24Å; I230-Y234 WeakPolarHBondContact O-CB 3.47Å; I230-Y234 WeakPolarHBondContact O-CD2 3.25Å; I230-Y234 PolarHBondContact O-N 3.45Å; I230-Y234 VanDerWaalsContact O-N 3.13Å; I230-F236 HydrophobicContact CG2-CE2 3.64Å; I230-F236 HydrophobicContact CG2-CZ 3.9Å; I230-V296 HydrophobicContact CB-CG1 3.95Å; I230-V296 HydrophobicContact CG2-CG1 3.8Å; I230-L297 HydrophobicContact CD1-CD2 4.03Å; I230-F300 HydrophobicContact CD1-CB 4.01Å; I230-F300 HydrophobicContact CD1-CD1 3.72Å; I230-F300 HydrophobicContact CD1-CD2 4.09Å; I230-F300 HydrophobicContact CD1-CE1 4.16Å; I230-F300 HydrophobicContact CD1-CE2 4.49Å; I230-F300 HydrophobicContact CD1-CG 3.66Å; I230-F300 HydrophobicContact CG2-CB 4.15Å; I230-F300 HydrophobicContact CG2-CD2 3.64Å; I230-F300 HydrophobicContact CG2-CE2 4.29Å; I230-F300 HydrophobicContact CG2-CG 4.04Å
231A96.4Very high94.8Very high1 Ų129.8 Ų29.81%0.00816%0.162CC..Hα-helixtrans-54.9-41.1-176.100000112G227 H228 H233 Y243 Y290 V296G227-A231 VanDerWaalsContact O-CB 3.31Å; G227-A231 WeakPolarHBondContact O-CB 3.4Å; G227-A231 PolarHBondContact O-N 3.18Å; H228-A231 PolarHBondContact O-N 3.41Å; A231-H233 PolarHBondContact O-N 3.4Å; A231-Y243 WeakPolarHBondContact O-CB 3.19Å; A231-Y243 WeakPolarHBondContact O-CD2 3.32Å; A231-Y290 HydrophobicContact CB-CD2 3.73Å; A231-Y290 HydrophobicContact CB-CE2 3.81Å; A231-Y290 WeakPolarHBondContact O-CE2 3.41Å; A231-V296 HydrophobicContact CB-CG1 4.01Å; A231-V296 HydrophobicContact CB-CG2 4.07Å
232E95.7Very high95Very high22 Ų2230.1 Ų30.110%0.10316%0.164CC..THydrogen-bonded Turntrans-60.8-49.5-169.6-77.7169.4-176.300112.9H228 I230 T242 Y243 H259H228-E232 IonicContact CE1-OE1 2.74Å; H228-E232 IonicContact CG-OE1 3.77Å; H228-E232 VanDerWaalsContact ND1-CD 3.32Å; H228-E232 IonicContact ND1-OE1 3.68Å; H228-E232 PolarHBondContact ND1-OE1 3.41Å; H228-E232 IonicContact ND1-OE2 3.45Å; H228-E232 PolarHBondContact ND1-OE2 3.34Å; H228-E232 WeakPolarHBondContact O-CB 3.34Å; H228-E232 WeakPolarHBondContact O-CG 3.38Å; H228-E232 PolarHBondContact O-N 2.91Å; I230-E232 PolarHBondContact O-N 3.29Å; E232-T242 WeakPolarHBondContact O-CA 3.08Å; E232-Y243 PolarHBondContact O-N 3.34Å; E232-H259 VanDerWaalsContact CB-CD2 3.45Å; E232-H259 WeakPolarHBondContact CB-CD2 3.41Å; E232-H259 WeakPolarHBondContact CB-NE2 3.35Å; E232-H259 HydrophobicContact CG-CB 4.33Å; E232-H259 VanDerWaalsContact CG-CD2 3.47Å; E232-H259 WeakPolarHBondContact CG-CD2 3.39Å; E232-H259 IonicContact OE2-CE1 2.85Å
233H97Very high95.3Very high5 Ų527.4 Ų27.42%0.02315%0.15CC..THydrogen-bonded Turntrans-1313.5-169.7-68.7-56.4000116.8H131 D143 A231 E241 T242 H259 H263 R311H131-H233 AromaticContact CE1-CD2 3.4Å; H131-H233 PolarHBondContact CE1-CD2 3.36Å; H131-H233 VanDerWaalsContact CE1-CD2 3.4Å; H131-H233 AromaticContact CE1-NE2 3.41Å; H131-H233 PolarHBondContact CE1-NE2 2.6Å; H131-H233 AromaticContact NE2-CD2 3.43Å; H131-H233 PolarHBondContact NE2-CD2 2.89Å; H131-H233 AromaticContact NE2-CE1 3.99Å; H131-H233 AromaticContact NE2-NE2 3.04Å; H131-H233 PolarHBondContact NE2-NE2 2.96Å; D143-H233 IonicContact OD2-CD2 3.78Å; A231-H233 PolarHBondContact O-N 3.4Å; H233-E241 VanDerWaalsContact CA-O 3.29Å; H233-E241 WeakPolarHBondContact CA-O 3.37Å; H233-E241 PolarHBondContact ND1-O 2.89Å; H233-T242 PolarHBondContact CE1-OG1 3.2Å; H233-T242 PolarHBondContact ND1-OG1 3.29Å; H233-H259 AromaticContact CD2-NE2 3.66Å; H233-H259 AromaticContact CE1-CD2 3.86Å; H233-H259 AromaticContact CE1-NE2 3.38Å; H233-H259 PolarHBondContact CE1-NE2 3.22Å; H233-H259 AromaticContact NE2-CD2 3.76Å; H233-H259 AromaticContact NE2-CE1 3.86Å; H233-H259 AromaticContact NE2-NE2 2.87Å; H233-H259 PolarHBondContact NE2-NE2 3.31Å; H233-H263 AromaticContact CE1-CE1 3.47Å; H233-H263 PolarHBondContact CE1-CE1 2.93Å; H233-H263 VanDerWaalsContact CE1-CE1 3.47Å; H233-H263 AromaticContact CE1-NE2 3.49Å; H233-H263 PolarHBondContact CE1-NE2 3.32Å; H233-H263 AromaticContact NE2-CE1 3.34Å; H233-H263 PolarHBondContact NE2-CE1 3.43Å; H233-H263 VanDerWaalsContact NE2-CE1 3.34Å; H233-H263 AromaticContact NE2-NE2 3.15Å; H233-H263 PolarHBondContact NE2-NE2 3.29Å; H233-H263 VanDerWaalsContact NE2-NE2 3.15Å; H233-R311 VanDerWaalsContact O-CD 3.22Å; H233-R311 WeakPolarHBondContact O-CD 3.45Å; H233-R311 PolarHBondContact O-NE 3.47Å
234Y96.6Very high95.4Very high0 Ų027 Ų270%015%0.148CC..  trans-83.6130.8174.9-74.9-104.1000111.4P145 W162 I230 F236 Y243 F300 S310 R311P145-Y234 WeakPolarHBondContact CG-OH 3.29Å; W162-Y234 AromaticContact CH2-CZ 3.87Å; W162-Y234 WeakPolarHBondContact CH2-OH 3.37Å; W162-Y234 WeakPolarHBondContact CZ2-OH 3.41Å; I230-Y234 HydrophobicContact CB-CD2 4.23Å; I230-Y234 HydrophobicContact CG2-CD2 3.96Å; I230-Y234 HydrophobicContact CG2-CG 3.91Å; I230-Y234 VanDerWaalsContact O-CB 3.24Å; I230-Y234 WeakPolarHBondContact O-CB 3.47Å; I230-Y234 WeakPolarHBondContact O-CD2 3.25Å; I230-Y234 PolarHBondContact O-N 3.45Å; I230-Y234 VanDerWaalsContact O-N 3.13Å; Y234-F236 VanDerWaalsContact C-N 3.33Å; Y234-F236 WeakPolarHBondContact O-CD2 3.27Å; Y234-F236 PolarHBondContact O-N 3.32Å; Y234-Y243 WeakPolarHBondContact O-CE2 3.27Å; Y234-F300 HydrophobicContact CD1-CD2 4.47Å; Y234-F300 AromaticContact CD1-CE2 3.78Å; Y234-F300 HydrophobicContact CD1-CE2 3.78Å; Y234-F300 AromaticContact CE1-CE2 3.86Å; Y234-F300 HydrophobicContact CE1-CE2 3.86Å; Y234-F300 HydrophobicContact CE1-CZ 4.35Å; Y234-S310 CarbonylContact C-O 3.5Å; Y234-S310 VanDerWaalsContact CA-O 3.26Å; Y234-S310 WeakPolarHBondContact CA-O 3.48Å; Y234-S310 WeakPolarHBondContact CD1-O 3.49Å; Y234-R311 HydrophobicContact CD1-CG 4.09Å; Y234-R311 HydrophobicContact CE1-CG 3.85Å
235M95.3Very high95.5Very high8 Ų825.1 Ų25.14%0.03914%0.135CC..  trans-7781.3-178.5-171.8179.961.300110.5R7 E11 L237 K238 H240 S310 V312R7-M235 VanDerWaalsContact NH2-CE 3.3Å; E11-M235 HydrophobicContact CB-CE 3.65Å; E11-M235 HydrophobicContact CB-SD 4.16Å; E11-M235 HydrophobicContact CG-CE 3.99Å; E11-M235 HydrophobicContact CG-SD 4.12Å; M235-L237 WeakPolarHBondContact CG-O 3.15Å; M235-K238 HydrophobicContact SD-CG 4.32Å; M235-H240 WeakPolarHBondContact CG-O 3.33Å; M235-S310 PolarHBondContact N-O 3.16Å; M235-V312 HydrophobicContact SD-CG2 4.18Å
236F94.9Very high95.6Very high47 Ų4727.2 Ų27.221%0.20614%0.143CC..SBendtrans-73.1-34.3172.9-83.7-126.6000111.7I230 Y234 Y243 Y290 V296 D299 F300 L306I230-F236 HydrophobicContact CG2-CE2 3.64Å; I230-F236 HydrophobicContact CG2-CZ 3.9Å; Y234-F236 VanDerWaalsContact C-N 3.33Å; Y234-F236 WeakPolarHBondContact O-CD2 3.27Å; Y234-F236 PolarHBondContact O-N 3.32Å; F236-Y243 PolarHBondContact N-OH 3.43Å; F236-Y243 VanDerWaalsContact N-OH 3.16Å; F236-Y290 VanDerWaalsContact CB-OH 3.25Å; F236-Y290 WeakPolarHBondContact CB-OH 3.45Å; F236-Y290 HydrophobicContact CD1-CE1 4.29Å; F236-Y290 WeakPolarHBondContact CD1-OH 3.48Å; F236-Y290 WeakPolarHBondContact CD2-OH 3.44Å; F236-Y290 WeakPolarHBondContact CG-OH 3.38Å; F236-V296 HydrophobicContact CE1-CG1 4.38Å; F236-V296 HydrophobicContact CE2-CG1 4.38Å; F236-V296 HydrophobicContact CZ-CG1 3.77Å; F236-D299 HydrophobicContact CE1-CB 3.78Å; F236-F300 HydrophobicContact CE2-CD2 4.48Å; F236-F300 HydrophobicContact CZ-CB 4.13Å; F236-L306 HydrophobicContact CD1-CD1 3.58Å; F236-L306 HydrophobicContact CD2-CD1 4.14Å; F236-L306 HydrophobicContact CD2-CD2 4.18Å; F236-L306 HydrophobicContact CE1-CD1 3.36Å; F236-L306 HydrophobicContact CE2-CD1 3.93Å; F236-L306 HydrophobicContact CG-CD1 3.98Å; F236-L306 HydrophobicContact CG-CD2 4.19Å; F236-L306 HydrophobicContact CZ-CD1 3.55Å
237L94.1Very high95.6Very high92 Ų9228.1 Ų28.148%0.48215%0.152SC..SBendtrans-113.7128169.4-174.462000109.2M235 G239 H240 Y243 P288M235-L237 WeakPolarHBondContact CG-O 3.15Å; L237-G239 PolarHBondContact O-N 3.09Å; L237-H240 PolarHBondContact O-N 3Å; L237-H240 VanDerWaalsContact O-N 3.14Å; L237-Y243 PolarHBondContact N-OH 3.04Å; L237-Y243 PolarHBondContact O-OH 3.41Å; L237-Y243 VanDerWaalsContact O-OH 3.09Å; L237-P288 HydrophobicContact CD2-CG 3.76Å
238K90.9Very high95.6Very high149 Ų14932.4 Ų32.465%0.64818%0.182SC*.THydrogen-bonded Turntrans-56.9133.7-179.7-173.3172.5-177.1168.10110.4E11 M235E11-K238 WeakPolarHBondContact OE1-CE 3.45Å; E11-K238 IonicContact OE1-NZ 3.22Å; E11-K238 PolarHBondContact OE1-NZ 2.88Å; M235-K238 HydrophobicContact SD-CG 4.32Å
239G89.7Confident95.6Very high66 Ų6633.9 Ų33.968%0.6819%0.19SC*.THydrogen-bonded Turntrans90.2-6.1-179.700000114.8L237L237-G239 PolarHBondContact O-N 3.09Å
240H93.6Very high95.7Very high58 Ų5833 Ų3327%0.26919%0.186SC..  trans-115118.5176.1-62.7-87.7000110.8M235 L237 Y243 P288M235-H240 WeakPolarHBondContact CG-O 3.33Å; L237-H240 PolarHBondContact O-N 3Å; L237-H240 VanDerWaalsContact O-N 3.14Å; H240-Y243 HydrophobicContact CB-CE1 4.16Å; H240-Y243 HydrophobicContact CB-CE2 4.27Å; H240-Y243 WeakPolarHBondContact CB-OH 3.1Å; H240-Y243 VanDerWaalsContact O-CE2 3.27Å; H240-Y243 WeakPolarHBondContact O-CE2 3.1Å; H240-Y243 PolarHBondContact O-OH 2.62Å; H240-P288 HydrophobicContact CB-CG 4.36Å; H240-P288 VanDerWaalsContact CE1-CD 3.4Å; H240-P288 WeakPolarHBondContact CE1-CD 3.29Å; H240-P288 WeakPolarHBondContact ND1-CD 3.45Å
241E94.4Very high95.5Very high25 Ų2540.3 Ų40.312%0.11723%0.225CC..  trans-109.3-5.4-175.271.5-179.6125.300114.6P18 H233 V312 R314P18-E241 WeakPolarHBondContact CD-OE1 3.35Å; P18-E241 HydrophobicContact CG-CG 4.39Å; H233-E241 VanDerWaalsContact CA-O 3.29Å; H233-E241 WeakPolarHBondContact CA-O 3.37Å; H233-E241 PolarHBondContact ND1-O 2.89Å; E241-V312 HydrophobicContact CB-CB 4.02Å; E241-V312 HydrophobicContact CB-CG2 3.7Å; E241-R314 IonicContact OE1-CZ 3.29Å; E241-R314 IonicContact OE1-NH2 3.59Å; E241-R314 PolarHBondContact OE1-NH2 2.75Å; E241-R314 IonicContact OE2-CZ 3.67Å; E241-R314 VanDerWaalsContact OE2-CZ 3.22Å; E241-R314 IonicContact OE2-NH1 2.66Å; E241-R314 PolarHBondContact OE2-NH1 3.4Å; E241-R314 IonicContact OE2-NH2 3Å; E241-R314 PolarHBondContact OE2-NH2 3.13Å
242T97.1Very high95.4Very high7 Ų744.5 Ų44.54%0.04325%0.246CC..  trans-141130.5177.1-52.30000110H19 E232 H233 N260H19-T242 PolarHBondContact NE2-OG1 3.1Å; E232-T242 WeakPolarHBondContact O-CA 3.08Å; H233-T242 PolarHBondContact CE1-OG1 3.2Å; H233-T242 PolarHBondContact ND1-OG1 3.29Å; T242-N260 WeakPolarHBondContact CB-OD1 3.25Å; T242-N260 PolarHBondContact O-ND2 3.06Å
243Y98.1Very high95.4Very high6 Ų643.4 Ų43.42%0.02424%0.241CC..  trans-127.6141.1-178.1-56.7-109.1000110.9A231 E232 Y234 F236 L237 H240 H259 P288 Y290A231-Y243 WeakPolarHBondContact O-CB 3.19Å; A231-Y243 WeakPolarHBondContact O-CD2 3.32Å; E232-Y243 PolarHBondContact O-N 3.34Å; Y234-Y243 WeakPolarHBondContact O-CE2 3.27Å; F236-Y243 PolarHBondContact N-OH 3.43Å; F236-Y243 VanDerWaalsContact N-OH 3.16Å; L237-Y243 PolarHBondContact N-OH 3.04Å; L237-Y243 PolarHBondContact O-OH 3.41Å; L237-Y243 VanDerWaalsContact O-OH 3.09Å; H240-Y243 HydrophobicContact CB-CE1 4.16Å; H240-Y243 HydrophobicContact CB-CE2 4.27Å; H240-Y243 WeakPolarHBondContact CB-OH 3.1Å; H240-Y243 VanDerWaalsContact O-CE2 3.27Å; H240-Y243 WeakPolarHBondContact O-CE2 3.1Å; H240-Y243 PolarHBondContact O-OH 2.62Å; Y243-H259 WeakPolarHBondContact O-CB 3.3Å; Y243-P288 HydrophobicContact CD1-CB 3.79Å; Y243-P288 HydrophobicContact CE1-CB 3.67Å; Y243-P288 HydrophobicContact CE1-CG 4.43Å; Y243-Y290 VanDerWaalsContact CB-CE2 3.42Å; Y243-Y290 AromaticContact CD1-CE2 3.72Å; Y243-Y290 HydrophobicContact CD1-CE2 3.72Å; Y243-Y290 AromaticContact CD1-CZ 3.9Å; Y243-Y290 HydrophobicContact CD2-CE2 4.3Å; Y243-Y290 HydrophobicContact CG-CD2 4.39Å; Y243-Y290 AromaticContact CG-CE2 3.56Å; Y243-Y290 HydrophobicContact CG-CE2 3.56Å
244S98.4Very high95.4Very high2 Ų244.8 Ų44.81%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-92.8149.6169.3-62.80000110.8Y246 G257 H259 N260 E261 Q289 Y290S244-Y246 WeakPolarHBondContact CB-OH 3.44Å; S244-G257 CarbonylContact C-O 3.59Å; S244-G257 WeakPolarHBondContact CA-O 3.41Å; S244-G257 WeakPolarHBondContact CB-O 3.29Å; S244-H259 PolarHBondContact OG-N 3.44Å; S244-N260 PolarHBondContact N-ND2 3.29Å; S244-N260 WeakPolarHBondContact OG-CB 3.38Å; S244-N260 PolarHBondContact OG-N 3.11Å; S244-N260 PolarHBondContact OG-ND2 3.45Å; S244-E261 PolarHBondContact OG-OE2 3.27Å; S244-Q289 CarbonylContact O-C 3.55Å; S244-Q289 VanDerWaalsContact O-CA 3.24Å; S244-Q289 WeakPolarHBondContact O-CA 3.33Å; S244-Y290 PolarHBondContact O-N 3.09Å
245Y98.3Very high95.5Very high8 Ų846.3 Ų46.33%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-113.8121.7169.4164.7-96.8000110G247 S248 L249 N250 G257 Y290 T291 W293Y245-G247 WeakPolarHBondContact CE1-O 3.44Å; Y245-G247 VanDerWaalsContact CZ-C 3.5Å; Y245-G247 VanDerWaalsContact OH-CA 3.25Å; Y245-G247 WeakPolarHBondContact OH-CA 3.22Å; Y245-S248 PolarHBondContact OH-N 3.46Å; Y245-L249 HydrophobicContact CE1-CB 3.96Å; Y245-L249 WeakPolarHBondContact OH-CB 3.27Å; Y245-L249 PolarHBondContact OH-N 3.03Å; Y245-L249 VanDerWaalsContact OH-N 3.14Å; Y245-N250 PolarHBondContact O-ND2 3.28Å; Y245-G257 PolarHBondContact N-O 3.22Å; Y245-G257 CarbonylContact O-C 3.1Å; Y245-G257 VanDerWaalsContact O-C 3.27Å; Y245-G257 WeakPolarHBondContact O-CA 3.44Å; Y245-Y290 VanDerWaalsContact CA-O 3.3Å; Y245-Y290 WeakPolarHBondContact CA-O 3.33Å; Y245-T291 VanDerWaalsContact CE2-O 3.29Å; Y245-T291 WeakPolarHBondContact CE2-O 3.31Å; Y245-W293 VanDerWaalsContact CB-NE1 3.27Å; Y245-W293 HydrophobicContact CD1-CD2 4.04Å; Y245-W293 AromaticContact CD1-CE2 3.46Å; Y245-W293 VanDerWaalsContact CD1-CE2 3.46Å; Y245-W293 HydrophobicContact CD1-CE3 4.48Å; Y245-W293 AromaticContact CD1-CH2 3.91Å; Y245-W293 HydrophobicContact CD1-CH2 3.91Å; Y245-W293 AromaticContact CD1-CZ2 3.4Å; Y245-W293 HydrophobicContact CD1-CZ2 3.4Å; Y245-W293 HydrophobicContact CD1-CZ3 4.41Å; Y245-W293 AromaticContact CD1-NE1 3.88Å; Y245-W293 AromaticContact CD2-CD1 3.7Å; Y245-W293 HydrophobicContact CD2-CD2 4.22Å; Y245-W293 AromaticContact CD2-CE2 3.98Å; Y245-W293 HydrophobicContact CD2-CG 4.05Å; Y245-W293 AromaticContact CD2-NE1 3.65Å; Y245-W293 HydrophobicContact CE1-CD2 4.13Å; Y245-W293 HydrophobicContact CE1-CE3 4.25Å; Y245-W293 HydrophobicContact CE1-CH2 4.15Å; Y245-W293 HydrophobicContact CE1-CZ2 4.04Å; Y245-W293 HydrophobicContact CE1-CZ3 4.25Å; Y245-W293 HydrophobicContact CE2-CD2 4.28Å; Y245-W293 HydrophobicContact CE2-CG 4.14Å; Y245-W293 AromaticContact CG-CD1 3.89Å; Y245-W293 HydrophobicContact CG-CD2 4.09Å; Y245-W293 AromaticContact CG-CE2 3.44Å; Y245-W293 VanDerWaalsContact CG-CE2 3.44Å; Y245-W293 HydrophobicContact CG-CG 4.33Å; Y245-W293 AromaticContact CG-CZ2 3.79Å; Y245-W293 HydrophobicContact CG-CZ2 3.79Å; Y245-W293 AromaticContact CG-NE1 3.32Å; Y245-W293 VanDerWaalsContact CG-NE1 3.32Å
246Y97.4Very high95.6Very high47 Ų4746.1 Ų46.118%0.18425%0.254CS..  trans-114.452179-53.8-59.2000111.5S244 Y258 E261 K277 Q289 Y290S244-Y246 WeakPolarHBondContact CB-OH 3.44Å; Y246-Y258 AromaticContact CD1-CD1 3.92Å; Y246-Y258 HydrophobicContact CD1-CD1 3.92Å; Y246-Y258 HydrophobicContact CD1-CD2 4.37Å; Y246-Y258 AromaticContact CD1-CE1 3.62Å; Y246-Y258 HydrophobicContact CD1-CE1 3.62Å; Y246-Y258 HydrophobicContact CD1-CE2 4.13Å; Y246-Y258 HydrophobicContact CD1-CG 4.27Å; Y246-Y258 AromaticContact CD1-CZ 3.74Å; Y246-Y258 AromaticContact CE1-CD1 3.44Å; Y246-Y258 HydrophobicContact CE1-CD1 3.44Å; Y246-Y258 VanDerWaalsContact CE1-CD1 3.44Å; Y246-Y258 AromaticContact CE1-CE1 3.51Å; Y246-Y258 HydrophobicContact CE1-CE1 3.51Å; Y246-Y258 AromaticContact CE1-CG 3.97Å; Y246-Y258 HydrophobicContact CE1-CG 3.97Å; Y246-E261 WeakPolarHBondContact CE1-OE1 3.43Å; Y246-E261 PolarHBondContact OH-OE1 2.84Å; Y246-K277 HydrophobicContact CD1-CD 4.24Å; Y246-K277 HydrophobicContact CE1-CD 3.55Å; Y246-K277 HydrophobicContact CE2-CD 4.23Å; Y246-K277 VanDerWaalsContact CZ-CE 3.5Å; Y246-K277 PolarHBondContact OH-NZ 2.86Å; Y246-Q289 HydrophobicContact CD2-CB 3.97Å; Y246-Q289 HydrophobicContact CD2-CG 4.3Å; Y246-Q289 HydrophobicContact CE2-CB 3.88Å; Y246-Q289 HydrophobicContact CE2-CG 4.44Å; Y246-Y290 PolarHBondContact N-O 3.05Å
247G96.7Very high95.7Very high18 Ų1844 Ų4419%0.18625%0.245CC..SBendtrans-116.3-178.8176.200000113.9Y245 L249 N250Y245-G247 WeakPolarHBondContact CE1-O 3.44Å; Y245-G247 VanDerWaalsContact CZ-C 3.5Å; Y245-G247 VanDerWaalsContact OH-CA 3.25Å; Y245-G247 WeakPolarHBondContact OH-CA 3.22Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 2.99Å; G247-N250 WeakPolarHBondContact O-CB 3.17Å; G247-N250 PolarHBondContact O-N 2.73Å; G247-N250 PolarHBondContact O-ND2 3.5Å
248S96.1Very high95.9Very high91 Ų9141.5 Ų41.564%0.63623%0.23SC*.G310 helixtrans-68.1-22.1-170.556.70000114.7Y245 N250 L251Y245-S248 PolarHBondContact OH-N 3.46Å; S248-N250 PolarHBondContact O-N 3.29Å; S248-N250 VanDerWaalsContact O-N 3.13Å; S248-L251 WeakPolarHBondContact O-CB 3.27Å; S248-L251 WeakPolarHBondContact O-CG 3.41Å; S248-L251 PolarHBondContact O-N 3.26Å; S248-L251 VanDerWaalsContact O-N 3.09Å
249L96.4Very high96.3Very high34 Ų3434.6 Ų34.618%0.17820%0.2CC..G310 helixtrans-65.4-16.8179.3-64.6177.4000112.5I225 Y245 G247 L251 L252 T253 W293I225-L249 HydrophobicContact CG1-CD2 4.37Å; Y245-L249 HydrophobicContact CE1-CB 3.96Å; Y245-L249 WeakPolarHBondContact OH-CB 3.27Å; Y245-L249 PolarHBondContact OH-N 3.03Å; Y245-L249 VanDerWaalsContact OH-N 3.14Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 2.99Å; L249-L251 PolarHBondContact O-N 2.85Å; L249-L251 VanDerWaalsContact O-N 3.16Å; L249-L252 PolarHBondContact O-N 3.38Å; L249-T253 VanDerWaalsContact C-OG1 3.28Å; L249-T253 WeakPolarHBondContact O-CB 3.31Å; L249-T253 WeakPolarHBondContact O-CG2 3.36Å; L249-T253 PolarHBondContact O-N 3.3Å; L249-T253 PolarHBondContact O-OG1 3.08Å; L249-W293 HydrophobicContact CB-CE3 3.76Å; L249-W293 HydrophobicContact CB-CZ3 3.66Å; L249-W293 HydrophobicContact CD1-CB 4.35Å; L249-W293 HydrophobicContact CD1-CD2 4.43Å; L249-W293 HydrophobicContact CD1-CE3 3.6Å; L249-W293 HydrophobicContact CD1-CZ3 4.32Å; L249-W293 HydrophobicContact CG-CE3 4.34Å
250N96.6Very high96.7Very high8 Ų831.6 Ų31.64%0.04317%0.169CC..G310 helixtrans-53.5-31.2170-82.9-40.4000113.2Y245 G247 S248 L252 T253 F254 N255 G257Y245-N250 PolarHBondContact O-ND2 3.28Å; G247-N250 WeakPolarHBondContact O-CB 3.17Å; G247-N250 PolarHBondContact O-N 2.73Å; G247-N250 PolarHBondContact O-ND2 3.5Å; S248-N250 PolarHBondContact O-N 3.29Å; S248-N250 VanDerWaalsContact O-N 3.13Å; N250-L252 PolarHBondContact O-N 2.88Å; N250-T253 WeakPolarHBondContact CA-OG1 3.29Å; N250-T253 PolarHBondContact N-OG1 3.37Å; N250-T253 PolarHBondContact O-N 3.08Å; N250-T253 VanDerWaalsContact O-N 3.15Å; N250-F254 PolarHBondContact O-N 3.36Å; N250-N255 PolarHBondContact O-N 3.09Å; N250-N255 VanDerWaalsContact O-N 3.1Å; N250-N255 WeakPolarHBondContact OD1-CA 3.46Å; N250-G257 VanDerWaalsContact OD1-CA 3.25Å; N250-G257 WeakPolarHBondContact OD1-CA 3.46Å; N250-G257 PolarHBondContact OD1-N 3.39Å
251L92.3Very high96.9Very high153 Ų15328.9 Ų28.980%0.80116%0.156SC*.G310 helixtrans-61.4-28.6176.5-64.8174000113S248 L249S248-L251 WeakPolarHBondContact O-CB 3.27Å; S248-L251 WeakPolarHBondContact O-CG 3.41Å; S248-L251 PolarHBondContact O-N 3.26Å; S248-L251 VanDerWaalsContact O-N 3.09Å; L249-L251 PolarHBondContact O-N 2.85Å; L249-L251 VanDerWaalsContact O-N 3.16Å
252L93.6Very high97.1Very high88 Ų8827.7 Ų27.746%0.46115%0.151SC..G310 helixtrans-100.9-5.7-179.9-57.6179000112.5S83 L249 N250S83-L252 VanDerWaalsContact CB-O 3.22Å; S83-L252 WeakPolarHBondContact CB-O 3.17Å; S83-L252 PolarHBondContact OG-O 3.03Å; L249-L252 PolarHBondContact O-N 3.38Å; N250-L252 PolarHBondContact O-N 2.88Å
253T96.1Very high97.2Very high0 Ų027.5 Ų27.50%015%0.149CC..THydrogen-bonded Turntrans-129.725.3-166.554.40000112.5L86 I225 L249 N250 N255 V256 W293L86-T253 HydrophobicContact CD1-CG2 3.28Å; I225-T253 HydrophobicContact CG2-CG2 3.35Å; L249-T253 VanDerWaalsContact C-OG1 3.28Å; L249-T253 WeakPolarHBondContact O-CB 3.31Å; L249-T253 WeakPolarHBondContact O-CG2 3.36Å; L249-T253 PolarHBondContact O-N 3.3Å; L249-T253 PolarHBondContact O-OG1 3.08Å; N250-T253 WeakPolarHBondContact CA-OG1 3.29Å; N250-T253 PolarHBondContact N-OG1 3.37Å; N250-T253 PolarHBondContact O-N 3.08Å; N250-T253 VanDerWaalsContact O-N 3.15Å; T253-N255 PolarHBondContact O-N 3.02Å; T253-V256 WeakPolarHBondContact O-CB 3.33Å; T253-V256 PolarHBondContact O-N 3.22Å; T253-W293 HydrophobicContact CG2-CH2 4.21Å; T253-W293 HydrophobicContact CG2-CZ3 3.87Å
254F97.1Very high97.2Very high34 Ų3427.2 Ų27.215%0.14915%0.148CC..THydrogen-bonded Turntrans54.329.5176-57.2-87.8000113.6L43 I46 M50 S83 L86 A87 E90 N250 V256 G270L43-F254 HydrophobicContact CD1-CD1 3.92Å; L43-F254 HydrophobicContact CD1-CE1 3.72Å; I46-F254 HydrophobicContact CG2-CE1 3.87Å; I46-F254 HydrophobicContact CG2-CZ 4.08Å; M50-F254 HydrophobicContact SD-CE2 4.5Å; M50-F254 HydrophobicContact SD-CZ 3.88Å; S83-F254 WeakPolarHBondContact O-CE2 3.47Å; L86-F254 HydrophobicContact CB-CD2 4.2Å; A87-F254 HydrophobicContact CB-CD2 4.42Å; A87-F254 HydrophobicContact CB-CE2 3.7Å; A87-F254 HydrophobicContact CB-CZ 3.83Å; E90-F254 HydrophobicContact CG-CB 3.96Å; E90-F254 HydrophobicContact CG-CG 4.36Å; N250-F254 PolarHBondContact O-N 3.36Å; F254-V256 PolarHBondContact O-N 3.38Å; F254-G270 CarbonylContact O-C 3.42Å; F254-G270 WeakPolarHBondContact O-CA 3.15Å
255N98.1Very high97.2Very high32 Ų3227.2 Ų27.217%0.17115%0.148CC..THydrogen-bonded Turntrans57.926.5-172.7-58.1-41.1000115.2N250 T253 G257 Y258 G270N250-N255 PolarHBondContact O-N 3.09Å; N250-N255 VanDerWaalsContact O-N 3.1Å; N250-N255 WeakPolarHBondContact OD1-CA 3.46Å; T253-N255 PolarHBondContact O-N 3.02Å; N255-G257 PolarHBondContact O-N 3.5Å; N255-Y258 HydrophobicContact CB-CD2 3.79Å; N255-Y258 HydrophobicContact CB-CE2 4.24Å; N255-Y258 PolarHBondContact O-N 3.02Å; N255-G270 VanDerWaalsContact CB-O 3.29Å; N255-G270 WeakPolarHBondContact CB-O 3.33Å; N255-G270 PolarHBondContact ND2-O 2.71Å; N255-G270 VanDerWaalsContact ND2-O 3.09Å
256V96.9Very high97.1Very high3 Ų328.5 Ų28.52%0.01816%0.157CC..THydrogen-bonded Turntrans-55.5-26.8175.675.30000112.3L86 T253 F254 Y258 H259 W293L86-V256 HydrophobicContact CD1-CG1 3.89Å; L86-V256 HydrophobicContact CD2-CB 4.38Å; L86-V256 HydrophobicContact CD2-CG1 4.08Å; L86-V256 HydrophobicContact CD2-CG2 4.22Å; T253-V256 WeakPolarHBondContact O-CB 3.33Å; T253-V256 PolarHBondContact O-N 3.22Å; F254-V256 PolarHBondContact O-N 3.38Å; V256-Y258 PolarHBondContact O-N 3.35Å; V256-Y258 VanDerWaalsContact O-N 3.09Å; V256-H259 PolarHBondContact O-N 3.25Å; V256-W293 HydrophobicContact CG1-CH2 3.96Å; V256-W293 HydrophobicContact CG1-CZ2 4.38Å
257G97.8Very high97Very high2 Ų228.2 Ų28.22%0.02116%0.162CC..THydrogen-bonded Turntrans-59.7-19.2175.100000114.2S244 Y245 N250 N255 H259S244-G257 CarbonylContact C-O 3.59Å; S244-G257 WeakPolarHBondContact CA-O 3.41Å; S244-G257 WeakPolarHBondContact CB-O 3.29Å; Y245-G257 PolarHBondContact N-O 3.22Å; Y245-G257 CarbonylContact O-C 3.1Å; Y245-G257 VanDerWaalsContact O-C 3.27Å; Y245-G257 WeakPolarHBondContact O-CA 3.44Å; N250-G257 VanDerWaalsContact OD1-CA 3.25Å; N250-G257 WeakPolarHBondContact OD1-CA 3.46Å; N250-G257 PolarHBondContact OD1-N 3.39Å; N255-G257 PolarHBondContact O-N 3.5Å; G257-H259 PolarHBondContact O-N 3.08Å
258Y98.5Very high97.1Very high40 Ų4027.4 Ų27.416%0.15715%0.154CC..  trans-74.758.1167.3-71-105.4000109.9Y246 N255 V256 E261 H262 L273 P274 K277Y246-Y258 AromaticContact CD1-CD1 3.92Å; Y246-Y258 HydrophobicContact CD1-CD1 3.92Å; Y246-Y258 HydrophobicContact CD1-CD2 4.37Å; Y246-Y258 AromaticContact CD1-CE1 3.62Å; Y246-Y258 HydrophobicContact CD1-CE1 3.62Å; Y246-Y258 HydrophobicContact CD1-CE2 4.13Å; Y246-Y258 HydrophobicContact CD1-CG 4.27Å; Y246-Y258 AromaticContact CD1-CZ 3.74Å; Y246-Y258 AromaticContact CE1-CD1 3.44Å; Y246-Y258 HydrophobicContact CE1-CD1 3.44Å; Y246-Y258 VanDerWaalsContact CE1-CD1 3.44Å; Y246-Y258 AromaticContact CE1-CE1 3.51Å; Y246-Y258 HydrophobicContact CE1-CE1 3.51Å; Y246-Y258 AromaticContact CE1-CG 3.97Å; Y246-Y258 HydrophobicContact CE1-CG 3.97Å; N255-Y258 HydrophobicContact CB-CD2 3.79Å; N255-Y258 HydrophobicContact CB-CE2 4.24Å; N255-Y258 PolarHBondContact O-N 3.02Å; V256-Y258 PolarHBondContact O-N 3.35Å; V256-Y258 VanDerWaalsContact O-N 3.09Å; Y258-E261 WeakPolarHBondContact CA-OE2 3.41Å; Y258-E261 HydrophobicContact CD1-CG 4.43Å; Y258-E261 WeakPolarHBondContact O-CB 3.47Å; Y258-E261 PolarHBondContact O-N 3.35Å; Y258-H262 VanDerWaalsContact O-CB 3.29Å; Y258-H262 WeakPolarHBondContact O-CB 3.41Å; Y258-H262 PolarHBondContact O-N 3.4Å; Y258-L273 HydrophobicContact CD1-CB 4.42Å; Y258-L273 HydrophobicContact CG-CB 4.04Å; Y258-P274 HydrophobicContact CD1-CG 4.5Å; Y258-P274 HydrophobicContact CD2-CG 4.36Å; Y258-P274 HydrophobicContact CE1-CB 3.95Å; Y258-P274 HydrophobicContact CE1-CG 4.03Å; Y258-P274 HydrophobicContact CE2-CG 3.85Å; Y258-K277 HydrophobicContact CD1-CB 4.25Å; Y258-K277 HydrophobicContact CD1-CD 4.42Å; Y258-K277 HydrophobicContact CE1-CB 4.18Å; Y258-K277 HydrophobicContact CE1-CD 3.98Å
259H98.5Very high97.1Very high4 Ų423.1 Ų23.12%0.01912%0.124CC..Hα-helixtrans-79.5-36-160.4-163.358.7000113.1E232 H233 Y243 S244 V256 G257 E261 H262 H263E232-H259 VanDerWaalsContact CB-CD2 3.45Å; E232-H259 WeakPolarHBondContact CB-CD2 3.41Å; E232-H259 WeakPolarHBondContact CB-NE2 3.35Å; E232-H259 HydrophobicContact CG-CB 4.33Å; E232-H259 VanDerWaalsContact CG-CD2 3.47Å; E232-H259 WeakPolarHBondContact CG-CD2 3.39Å; E232-H259 IonicContact OE2-CE1 2.85Å; H233-H259 AromaticContact CD2-NE2 3.66Å; H233-H259 AromaticContact CE1-CD2 3.86Å; H233-H259 AromaticContact CE1-NE2 3.38Å; H233-H259 PolarHBondContact CE1-NE2 3.22Å; H233-H259 AromaticContact NE2-CD2 3.76Å; H233-H259 AromaticContact NE2-CE1 3.86Å; H233-H259 AromaticContact NE2-NE2 2.87Å; H233-H259 PolarHBondContact NE2-NE2 3.31Å; Y243-H259 WeakPolarHBondContact O-CB 3.3Å; S244-H259 PolarHBondContact OG-N 3.44Å; V256-H259 PolarHBondContact O-N 3.25Å; G257-H259 PolarHBondContact O-N 3.08Å; H259-E261 VanDerWaalsContact C-N 3.33Å; H259-H262 AromaticContact ND1-CD2 3.97Å; H259-H262 PolarHBondContact O-N 2.77Å; H259-H263 AromaticContact CD2-CD2 3.71Å; H259-H263 AromaticContact CD2-NE2 3.93Å; H259-H263 AromaticContact CE1-CD2 3.29Å; H259-H263 PolarHBondContact CE1-CD2 3.38Å; H259-H263 AromaticContact CE1-NE2 3.12Å; H259-H263 PolarHBondContact CE1-NE2 2.86Å; H259-H263 AromaticContact CG-CD2 3.98Å; H259-H263 AromaticContact ND1-CD2 3.73Å; H259-H263 AromaticContact NE2-CD2 3.23Å; H259-H263 PolarHBondContact NE2-CD2 2.93Å; H259-H263 AromaticContact NE2-NE2 3.01Å; H259-H263 PolarHBondContact NE2-NE2 2.85Å; H259-H263 PolarHBondContact O-CD2 3.27Å; H259-H263 PolarHBondContact O-N 3.05Å
260N98.4Very high97.2Very high4 Ų421.5 Ų21.52%0.02112%0.115CC..Hα-helixtrans-61.1-45.8169.6-84.2-72.3000110.8R22 T242 S244 H262 H263 D264 Y284 L287R22-N260 PolarHBondContact NH2-OD1 2.78Å; R22-N260 VanDerWaalsContact NH2-OD1 3.08Å; T242-N260 WeakPolarHBondContact CB-OD1 3.25Å; T242-N260 PolarHBondContact O-ND2 3.06Å; S244-N260 PolarHBondContact N-ND2 3.29Å; S244-N260 WeakPolarHBondContact OG-CB 3.38Å; S244-N260 PolarHBondContact OG-N 3.11Å; S244-N260 PolarHBondContact OG-ND2 3.45Å; N260-H262 VanDerWaalsContact C-N 3.3Å; N260-H262 PolarHBondContact O-N 3.17Å; N260-H263 PolarHBondContact O-N 3.04Å; N260-D264 WeakPolarHBondContact O-CB 3.48Å; N260-D264 PolarHBondContact O-N 3.25Å; N260-Y284 HydrophobicContact CB-CD1 4.07Å; N260-Y284 HydrophobicContact CB-CE1 4.13Å; N260-L287 HydrophobicContact CB-CD1 4.35Å
261E98.6Very high97.2Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-61.4-41177.4-59.984.7156.500111.3S244 Y246 Y258 H259 D264 F265 L273 V276 K277 Y284S244-E261 PolarHBondContact OG-OE2 3.27Å; Y246-E261 WeakPolarHBondContact CE1-OE1 3.43Å; Y246-E261 PolarHBondContact OH-OE1 2.84Å; Y258-E261 WeakPolarHBondContact CA-OE2 3.41Å; Y258-E261 HydrophobicContact CD1-CG 4.43Å; Y258-E261 WeakPolarHBondContact O-CB 3.47Å; Y258-E261 PolarHBondContact O-N 3.35Å; H259-E261 VanDerWaalsContact C-N 3.33Å; E261-D264 PolarHBondContact O-N 3.16Å; E261-F265 PolarHBondContact O-N 2.78Å; E261-L273 HydrophobicContact CB-CB 4.42Å; E261-L273 HydrophobicContact CB-CD2 4.19Å; E261-V276 HydrophobicContact CB-CB 4.37Å; E261-V276 HydrophobicContact CB-CG1 4.16Å; E261-V276 HydrophobicContact CG-CB 4.45Å; E261-V276 HydrophobicContact CG-CG1 4.25Å; E261-K277 HydrophobicContact CG-CB 4.24Å; E261-K277 WeakPolarHBondContact OE1-CB 3.45Å; E261-Y284 HydrophobicContact CB-CE1 4.44Å; E261-Y284 HydrophobicContact CG-CD1 4.1Å; E261-Y284 HydrophobicContact CG-CD2 4.27Å; E261-Y284 HydrophobicContact CG-CE1 3.79Å; E261-Y284 HydrophobicContact CG-CE2 3.98Å; E261-Y284 HydrophobicContact CG-CG 4.33Å
262H98.4Very high97.5Very high1 Ų122.8 Ų22.81%0.00511%0.108CC..Hα-helixtrans-63.3-49176.4176.854.5000112.2H89 H93 H132 Y258 H259 N260 D264 F265 P266 L273H89-H262 AromaticContact CE1-CD2 3.77Å; H89-H262 AromaticContact CE1-CE1 3.38Å; H89-H262 PolarHBondContact CE1-CE1 2.84Å; H89-H262 AromaticContact CE1-NE2 3.09Å; H89-H262 PolarHBondContact CE1-NE2 3.29Å; H89-H262 AromaticContact NE2-CD2 3.75Å; H89-H262 AromaticContact NE2-CE1 3.74Å; H89-H262 AromaticContact NE2-NE2 3.02Å; H89-H262 PolarHBondContact NE2-NE2 2.74Å; H93-H262 AromaticContact CD2-CE1 3.6Å; H93-H262 AromaticContact CE1-CE1 3.75Å; H93-H262 AromaticContact CE1-NE2 3.93Å; H93-H262 AromaticContact NE2-CE1 3.22Å; H93-H262 PolarHBondContact NE2-CE1 2.95Å; H93-H262 AromaticContact NE2-NE2 3.36Å; H93-H262 PolarHBondContact NE2-NE2 2.54Å; H132-H262 AromaticContact CE1-CD2 3.35Å; H132-H262 PolarHBondContact CE1-CD2 3.37Å; H132-H262 AromaticContact CE1-NE2 3.08Å; H132-H262 PolarHBondContact CE1-NE2 3.09Å; H132-H262 AromaticContact NE2-CD2 3.74Å; H132-H262 AromaticContact NE2-CE1 3.94Å; H132-H262 AromaticContact NE2-NE2 3.03Å; H132-H262 PolarHBondContact NE2-NE2 3.08Å; Y258-H262 VanDerWaalsContact O-CB 3.29Å; Y258-H262 WeakPolarHBondContact O-CB 3.41Å; Y258-H262 PolarHBondContact O-N 3.4Å; H259-H262 AromaticContact ND1-CD2 3.97Å; H259-H262 PolarHBondContact O-N 2.77Å; N260-H262 VanDerWaalsContact C-N 3.3Å; N260-H262 PolarHBondContact O-N 3.17Å; H262-D264 VanDerWaalsContact C-N 3.31Å; H262-D264 PolarHBondContact O-N 3.44Å; H262-F265 CarbonylContact O-C 3.58Å; H262-F265 PolarHBondContact O-N 3.08Å; H262-F265 VanDerWaalsContact O-N 3.17Å; H262-P266 WeakPolarHBondContact O-CA 3.44Å; H262-P266 WeakPolarHBondContact O-CD 3.33Å; H262-L273 HydrophobicContact CB-CD1 3.79Å
263H98.1Very high97.7Very high3 Ų318.6 Ų18.61%0.0149%0.087CC..Hα-helixtrans-65.7-34.6177.6-89.6-102.6000113.1H19 H131 H132 H233 H259 N260 F265H19-H263 HydrophobicContact CB-CB 4.3Å; H19-H263 AromaticContact CD2-ND1 3.9Å; H19-H263 WeakPolarHBondContact CE1-CB 3.48Å; H19-H263 VanDerWaalsContact ND1-CB 3.29Å; H19-H263 WeakPolarHBondContact ND1-CB 3.43Å; H19-H263 AromaticContact NE2-CG 3.83Å; H19-H263 AromaticContact NE2-ND1 3.93Å; H131-H263 AromaticContact CD2-CE1 3.79Å; H131-H263 AromaticContact NE2-CE1 3.35Å; H131-H263 PolarHBondContact NE2-CE1 3.13Å; H131-H263 VanDerWaalsContact NE2-CE1 3.35Å; H131-H263 AromaticContact NE2-NE2 3.69Å; H132-H263 AromaticContact CE1-CD2 3.5Å; H132-H263 PolarHBondContact CE1-CD2 2.95Å; H132-H263 VanDerWaalsContact CE1-CD2 3.5Å; H132-H263 AromaticContact CE1-CE1 3.51Å; H132-H263 AromaticContact CE1-CG 3.75Å; H132-H263 AromaticContact CE1-ND1 3.76Å; H132-H263 AromaticContact CE1-NE2 3.29Å; H132-H263 PolarHBondContact CE1-NE2 2.97Å; H132-H263 VanDerWaalsContact CE1-NE2 3.29Å; H132-H263 AromaticContact ND1-CD2 3.84Å; H132-H263 AromaticContact ND1-CE1 3.36Å; H132-H263 PolarHBondContact ND1-CE1 3.1Å; H132-H263 AromaticContact ND1-CG 3.63Å; H132-H263 AromaticContact ND1-ND1 3.32Å; H132-H263 PolarHBondContact ND1-ND1 3.02Å; H132-H263 AromaticContact ND1-NE2 3.64Å; H233-H263 AromaticContact CE1-CE1 3.47Å; H233-H263 PolarHBondContact CE1-CE1 2.93Å; H233-H263 VanDerWaalsContact CE1-CE1 3.47Å; H233-H263 AromaticContact CE1-NE2 3.49Å; H233-H263 PolarHBondContact CE1-NE2 3.32Å; H233-H263 AromaticContact NE2-CE1 3.34Å; H233-H263 PolarHBondContact NE2-CE1 3.43Å; H233-H263 VanDerWaalsContact NE2-CE1 3.34Å; H233-H263 AromaticContact NE2-NE2 3.15Å; H233-H263 PolarHBondContact NE2-NE2 3.29Å; H233-H263 VanDerWaalsContact NE2-NE2 3.15Å; H259-H263 AromaticContact CD2-CD2 3.71Å; H259-H263 AromaticContact CD2-NE2 3.93Å; H259-H263 AromaticContact CE1-CD2 3.29Å; H259-H263 PolarHBondContact CE1-CD2 3.38Å; H259-H263 AromaticContact CE1-NE2 3.12Å; H259-H263 PolarHBondContact CE1-NE2 2.86Å; H259-H263 AromaticContact CG-CD2 3.98Å; H259-H263 AromaticContact ND1-CD2 3.73Å; H259-H263 AromaticContact NE2-CD2 3.23Å; H259-H263 PolarHBondContact NE2-CD2 2.93Å; H259-H263 AromaticContact NE2-NE2 3.01Å; H259-H263 PolarHBondContact NE2-NE2 2.85Å; H259-H263 PolarHBondContact O-CD2 3.27Å; H259-H263 PolarHBondContact O-N 3.05Å; N260-H263 PolarHBondContact O-N 3.04Å; H263-F265 VanDerWaalsContact C-N 3.35Å
264D98.4Very high97.8Very high0 Ų020.5 Ų20.50%010%0.099CC..Hα-helixtrans-66.3-41.8173.1-66.3-8.1000110H19 R22 R23 N260 E261 H262 Y284H19-D264 VanDerWaalsContact CA-OD1 3.28Å; H19-D264 WeakPolarHBondContact CA-OD1 3.2Å; H19-D264 WeakPolarHBondContact CB-OD1 3.43Å; H19-D264 IonicContact CE1-OD1 3.91Å; H19-D264 IonicContact CG-OD1 3.91Å; H19-D264 IonicContact ND1-OD1 3.45Å; H19-D264 PolarHBondContact ND1-OD1 3.48Å; R22-D264 IonicContact CZ-OD1 3.2Å; R22-D264 IonicContact CZ-OD2 2.7Å; R22-D264 IonicContact NE-OD1 2.71Å; R22-D264 PolarHBondContact NE-OD1 2.84Å; R22-D264 IonicContact NE-OD2 3.98Å; R22-D264 PolarHBondContact NE-OD2 3.4Å; R22-D264 IonicContact NH2-OD1 2.82Å; R22-D264 PolarHBondContact NH2-OD1 3.12Å; R22-D264 IonicContact NH2-OD2 3.98Å; R22-D264 PolarHBondContact NH2-OD2 3.44Å; R23-D264 HydrophobicContact CB-CB 4.49Å; R23-D264 WeakPolarHBondContact CB-O 3.29Å; R23-D264 WeakPolarHBondContact CD-O 3.39Å; R23-D264 WeakPolarHBondContact CG-O 3.18Å; R23-D264 PolarHBondContact NH1-O 3.5Å; N260-D264 WeakPolarHBondContact O-CB 3.48Å; N260-D264 PolarHBondContact O-N 3.25Å; E261-D264 PolarHBondContact O-N 3.16Å; H262-D264 VanDerWaalsContact C-N 3.31Å; H262-D264 PolarHBondContact O-N 3.44Å; D264-Y284 VanDerWaalsContact OD2-CE1 3.3Å; D264-Y284 WeakPolarHBondContact OD2-CE1 3.4Å; D264-Y284 PolarHBondContact OD2-OH 2.9Å
265F98.1Very high97.9Very high1 Ų122.8 Ų22.80%0.00411%0.113CC..  trans-13167-173.2-58.3-78.6000114.4R23 I26 L27 I33 M37 E261 H262 H263 S267 I268 V276R23-F265 HydrophobicContact CB-CE1 4.42Å; R23-F265 HydrophobicContact CB-CZ 4.45Å; R23-F265 HydrophobicContact CG-CD1 4.07Å; R23-F265 HydrophobicContact CG-CE1 3.64Å; R23-F265 HydrophobicContact CG-CZ 4.13Å; I26-F265 HydrophobicContact CB-CE2 4.42Å; I26-F265 HydrophobicContact CB-CZ 3.9Å; I26-F265 HydrophobicContact CD1-CE2 4.03Å; I26-F265 HydrophobicContact CD1-CZ 4.35Å; I26-F265 HydrophobicContact CG2-CE2 3.96Å; I26-F265 HydrophobicContact CG2-CZ 3.51Å; L27-F265 HydrophobicContact CD1-CE1 4.19Å; L27-F265 HydrophobicContact CD2-CE1 3.76Å; L27-F265 HydrophobicContact CD2-CZ 4.45Å; L27-F265 HydrophobicContact CG-CE1 3.75Å; L27-F265 HydrophobicContact CG-CZ 4.33Å; I33-F265 HydrophobicContact CG2-CD1 3.94Å; I33-F265 HydrophobicContact CG2-CE1 3.71Å; I33-F265 HydrophobicContact CG2-CE2 4.39Å; I33-F265 HydrophobicContact CG2-CG 4.35Å; I33-F265 HydrophobicContact CG2-CZ 3.97Å; M37-F265 HydrophobicContact CE-CD1 3.7Å; M37-F265 HydrophobicContact CE-CE1 4.25Å; E261-F265 PolarHBondContact O-N 2.78Å; H262-F265 CarbonylContact O-C 3.58Å; H262-F265 PolarHBondContact O-N 3.08Å; H262-F265 VanDerWaalsContact O-N 3.17Å; H263-F265 VanDerWaalsContact C-N 3.35Å; F265-S267 PolarHBondContact O-N 3.19Å; F265-I268 HydrophobicContact CB-CB 4.25Å; F265-I268 HydrophobicContact CB-CD1 3.5Å; F265-I268 HydrophobicContact CB-CG1 3.84Å; F265-I268 HydrophobicContact CD1-CD1 4.18Å; F265-I268 HydrophobicContact CG-CD1 3.85Å; F265-I268 WeakPolarHBondContact O-CB 3.28Å; F265-I268 PolarHBondContact O-N 2.7Å; F265-V276 HydrophobicContact CD2-CG1 3.68Å; F265-V276 HydrophobicContact CE2-CG1 3.86Å
266P96.4Very high97.9Very high35 Ų3521.3 Ų21.323%0.22710%0.104CC..THydrogen-bonded Turntrans-69.1-6.8-173.326.5-35.8000113.9H93 H262H93-P266 VanDerWaalsContact CB-O 3.28Å; H93-P266 WeakPolarHBondContact CB-O 3.4Å; H93-P266 VanDerWaalsContact CG-O 3.28Å; H93-P266 PolarHBondContact ND1-O 2.92Å; H262-P266 WeakPolarHBondContact O-CA 3.44Å; H262-P266 WeakPolarHBondContact O-CD 3.33Å
267S95.4Very high98Very high42 Ų4222.5 Ų22.529%0.29411%0.109SC..THydrogen-bonded Turntrans-91.6-3.2174.260.70000113.6M37 G38 F265M37-S267 WeakPolarHBondContact CG-OG 3.41Å; M37-S267 PolarHBondContact SD-OG 3.27Å; G38-S267 PolarHBondContact N-O 3.45Å; G38-S267 VanDerWaalsContact N-O 3.16Å; F265-S267 PolarHBondContact O-N 3.19Å
268I98.3Very high98Very high1 Ų130.2 Ų30.21%0.00514%0.142CC..SBendtrans-93.5124.9174.7-63.4-179.4000107.8I33 L36 M37 F265 R272 L273 V276I33-I268 HydrophobicContact CG2-CD1 3.72Å; L36-I268 HydrophobicContact CB-CD1 3.89Å; L36-I268 HydrophobicContact CB-CG1 4.2Å; L36-I268 HydrophobicContact CB-CG2 4.11Å; M37-I268 HydrophobicContact CB-CG1 4.42Å; M37-I268 HydrophobicContact CG-CD1 4.26Å; M37-I268 HydrophobicContact CG-CG1 3.69Å; F265-I268 HydrophobicContact CB-CB 4.25Å; F265-I268 HydrophobicContact CB-CD1 3.5Å; F265-I268 HydrophobicContact CB-CG1 3.84Å; F265-I268 HydrophobicContact CD1-CD1 4.18Å; F265-I268 HydrophobicContact CG-CD1 3.85Å; F265-I268 WeakPolarHBondContact O-CB 3.28Å; F265-I268 PolarHBondContact O-N 2.7Å; I268-R272 HydrophobicContact CG2-CB 3.64Å; I268-L273 HydrophobicContact CB-CD2 4.14Å; I268-L273 HydrophobicContact CG2-CD2 3.96Å; I268-V276 HydrophobicContact CD1-CG2 3.56Å; I268-V276 HydrophobicContact CG2-CG2 4.17Å
269P97.7Very high98Very high1 Ų130.7 Ų30.71%0.00615%0.147CC..  trans-65.4146.317826.8-32.7000110.6G38 D40 T95 R271 R272G38-P269 WeakPolarHBondContact O-CD 3.43Å; D40-P269 HydrophobicContact CB-CB 3.84Å; D40-P269 HydrophobicContact CB-CG 4.06Å; T95-P269 HydrophobicContact CG2-CB 4.19Å; P269-R271 PolarHBondContact O-N 3.15Å; P269-R272 HydrophobicContact CG-CB 4.42Å; P269-R272 HydrophobicContact CG-CG 4.11Å; P269-R272 PolarHBondContact O-N 3.16Å
270G97.4Very high98Very high0 Ų030.5 Ų30.50%015%0.146CC..G310 helixtrans-50.1-38-175.500000114.4E90 F254 N255 R272 L273 P274E90-G270 PolarHBondContact OE2-N 3Å; F254-G270 CarbonylContact O-C 3.42Å; F254-G270 WeakPolarHBondContact O-CA 3.15Å; N255-G270 VanDerWaalsContact CB-O 3.29Å; N255-G270 WeakPolarHBondContact CB-O 3.33Å; N255-G270 PolarHBondContact ND2-O 2.71Å; N255-G270 VanDerWaalsContact ND2-O 3.09Å; G270-R272 PolarHBondContact O-N 3.1Å; G270-L273 WeakPolarHBondContact O-CB 3.41Å; G270-L273 PolarHBondContact O-N 3.08Å; G270-L273 VanDerWaalsContact O-N 3.08Å; G270-P274 WeakPolarHBondContact O-CD 3.44Å
271R97Very high98Very high122 Ų12232.3 Ų32.346%0.4616%0.159SC..G310 helixtrans-53.8-29.7174.6-178.8174.6171.7-129.8-10.8114D40 R42 P269D40-R271 IonicContact OD1-NH1 2.68Å; D40-R271 WeakPolarHBondContact OD2-CD 3.48Å; R42-R271 VanDerWaalsContact CZ-CZ 3.48Å; R42-R271 VanDerWaalsContact CZ-NH2 3.33Å; R42-R271 VanDerWaalsContact NH1-CZ 3.3Å; R42-R271 VanDerWaalsContact NH1-NH2 3.15Å; P269-R271 PolarHBondContact O-N 3.15Å
272R98.3Very high97.9Very high65 Ų6535.9 Ų35.925%0.24518%0.176CC..G310 helixtrans-97.9-10-177.8-64.8180-173.7164.92.1113.3L36 I268 P269 G270 P274 L275 V276L36-R272 HydrophobicContact CB-CB 4.5Å; L36-R272 VanDerWaalsContact O-CD 3.27Å; L36-R272 WeakPolarHBondContact O-CD 3.4Å; L36-R272 PolarHBondContact O-NH1 3.44Å; I268-R272 HydrophobicContact CG2-CB 3.64Å; P269-R272 HydrophobicContact CG-CB 4.42Å; P269-R272 HydrophobicContact CG-CG 4.11Å; P269-R272 PolarHBondContact O-N 3.16Å; G270-R272 PolarHBondContact O-N 3.1Å; R272-P274 VanDerWaalsContact C-CD 3.43Å; R272-P274 VanDerWaalsContact C-N 3.33Å; R272-L275 WeakPolarHBondContact O-CB 3.12Å; R272-L275 PolarHBondContact O-N 3.47Å; R272-V276 PolarHBondContact O-N 3.2Å
273L98.4Very high97.9Very high0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-58-34.7177.4-61.8176.9000114.3Y258 E261 H262 I268 G270 L275 V276 K277Y258-L273 HydrophobicContact CD1-CB 4.42Å; Y258-L273 HydrophobicContact CG-CB 4.04Å; E261-L273 HydrophobicContact CB-CB 4.42Å; E261-L273 HydrophobicContact CB-CD2 4.19Å; H262-L273 HydrophobicContact CB-CD1 3.79Å; I268-L273 HydrophobicContact CB-CD2 4.14Å; I268-L273 HydrophobicContact CG2-CD2 3.96Å; G270-L273 WeakPolarHBondContact O-CB 3.41Å; G270-L273 PolarHBondContact O-N 3.08Å; G270-L273 VanDerWaalsContact O-N 3.08Å; L273-L275 PolarHBondContact O-N 3.4Å; L273-V276 HydrophobicContact CD2-CG2 4.44Å; L273-V276 WeakPolarHBondContact O-CB 3.43Å; L273-V276 PolarHBondContact O-N 3.06Å; L273-K277 PolarHBondContact O-N 2.9Å; L273-K277 VanDerWaalsContact O-N 3.12Å
274P98.4Very high97.9Very high41 Ų4138.5 Ų38.527%0.26619%0.186SC..Hα-helixtrans-58.3-29.6171.7-25.233.3000114Y258 G270 R272 K278Y258-P274 HydrophobicContact CD1-CG 4.5Å; Y258-P274 HydrophobicContact CD2-CG 4.36Å; Y258-P274 HydrophobicContact CE1-CB 3.95Å; Y258-P274 HydrophobicContact CE1-CG 4.03Å; Y258-P274 HydrophobicContact CE2-CG 3.85Å; G270-P274 WeakPolarHBondContact O-CD 3.44Å; R272-P274 VanDerWaalsContact C-CD 3.43Å; R272-P274 VanDerWaalsContact C-N 3.33Å; P274-K278 WeakPolarHBondContact O-CB 3.36Å; P274-K278 PolarHBondContact O-N 3.49Å; P274-K278 VanDerWaalsContact O-N 3.1Å
275L98.6Very high97.8Very high82 Ų8242.4 Ų42.443%0.42921%0.207SC..Hα-helixtrans-74.4-33.4174.8-65173.4000111.8L36 R272 L273 K278 I279L36-L275 HydrophobicContact CD1-CB 3.94Å; L36-L275 HydrophobicContact CD2-CD1 4.03Å; R272-L275 WeakPolarHBondContact O-CB 3.12Å; R272-L275 PolarHBondContact O-N 3.47Å; L273-L275 PolarHBondContact O-N 3.4Å; L275-K278 PolarHBondContact O-N 2.94Å; L275-I279 WeakPolarHBondContact O-CB 3.21Å; L275-I279 WeakPolarHBondContact O-CD1 3.46Å; L275-I279 VanDerWaalsContact O-CG1 3.24Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.95Å
276V98.6Very high97.7Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-60.2-51173.6179.10000109.8I33 L36 E261 F265 I268 R272 L273 K278 I279 A280 Y284I33-V276 HydrophobicContact CD1-CG1 4.45Å; L36-V276 HydrophobicContact CD1-CG2 3.89Å; E261-V276 HydrophobicContact CB-CB 4.37Å; E261-V276 HydrophobicContact CB-CG1 4.16Å; E261-V276 HydrophobicContact CG-CB 4.45Å; E261-V276 HydrophobicContact CG-CG1 4.25Å; F265-V276 HydrophobicContact CD2-CG1 3.68Å; F265-V276 HydrophobicContact CE2-CG1 3.86Å; I268-V276 HydrophobicContact CD1-CG2 3.56Å; I268-V276 HydrophobicContact CG2-CG2 4.17Å; R272-V276 PolarHBondContact O-N 3.2Å; L273-V276 HydrophobicContact CD2-CG2 4.44Å; L273-V276 WeakPolarHBondContact O-CB 3.43Å; L273-V276 PolarHBondContact O-N 3.06Å; V276-K278 VanDerWaalsContact C-N 3.28Å; V276-K278 PolarHBondContact O-N 3.33Å; V276-I279 PolarHBondContact O-N 2.94Å; V276-A280 PolarHBondContact O-N 3.17Å; V276-Y284 HydrophobicContact CG1-CE2 4.12Å
277K98.3Very high97.8Very high28 Ų2849.9 Ų49.912%0.12225%0.245CC..Hα-helixtrans-55.8-44.2174.7-175.8175.8178.954.70111.6Y246 Y258 E261 L273 I279 A280 S281 Y284 D285Y246-K277 HydrophobicContact CD1-CD 4.24Å; Y246-K277 HydrophobicContact CE1-CD 3.55Å; Y246-K277 HydrophobicContact CE2-CD 4.23Å; Y246-K277 VanDerWaalsContact CZ-CE 3.5Å; Y246-K277 PolarHBondContact OH-NZ 2.86Å; Y258-K277 HydrophobicContact CD1-CB 4.25Å; Y258-K277 HydrophobicContact CD1-CD 4.42Å; Y258-K277 HydrophobicContact CE1-CB 4.18Å; Y258-K277 HydrophobicContact CE1-CD 3.98Å; E261-K277 HydrophobicContact CG-CB 4.24Å; E261-K277 WeakPolarHBondContact OE1-CB 3.45Å; L273-K277 PolarHBondContact O-N 2.9Å; L273-K277 VanDerWaalsContact O-N 3.12Å; K277-I279 PolarHBondContact O-N 3.27Å; K277-A280 CarbonylContact O-C 3.58Å; K277-S281 WeakPolarHBondContact O-CA 3.17Å; K277-S281 WeakPolarHBondContact O-CB 3.46Å; K277-S281 PolarHBondContact O-N 3.3Å; K277-Y284 HydrophobicContact CG-CD2 4.48Å; K277-D285 IonicContact NZ-OD1 3.79Å; K277-D285 PolarHBondContact NZ-OD1 3.43Å
278K98.5Very high97.8Very high164 Ų16449.3 Ų49.371%0.71324%0.24SC*.Hα-helixtrans-64.7-39.4-178.8-174.1179178.3-178.20113.1P274 L275 V276P274-K278 WeakPolarHBondContact O-CB 3.36Å; P274-K278 PolarHBondContact O-N 3.49Å; P274-K278 VanDerWaalsContact O-N 3.1Å; L275-K278 PolarHBondContact O-N 2.94Å; V276-K278 VanDerWaalsContact C-N 3.28Å; V276-K278 PolarHBondContact O-N 3.33Å
279I98.6Very high97.8Very high51 Ų5153.6 Ų53.626%0.26226%0.26SS..Hα-helixtrans-74.9-41.1-177.3-68.6164.4000111Y30 E32 I33 L36 L275 V276 K277Y30-I279 HydrophobicContact CD1-CG2 3.95Å; Y30-I279 HydrophobicContact CD2-CG2 4.41Å; Y30-I279 HydrophobicContact CG-CG2 3.81Å; E32-I279 HydrophobicContact CG-CD1 4.49Å; E32-I279 HydrophobicContact CG-CG2 4.37Å; I33-I279 HydrophobicContact CD1-CB 4.41Å; I33-I279 HydrophobicContact CD1-CG2 3.99Å; I33-I279 HydrophobicContact CG1-CB 4.37Å; I33-I279 HydrophobicContact CG1-CD1 4.22Å; I33-I279 HydrophobicContact CG1-CG2 3.95Å; L36-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 WeakPolarHBondContact O-CB 3.21Å; L275-I279 WeakPolarHBondContact O-CD1 3.46Å; L275-I279 VanDerWaalsContact O-CG1 3.24Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.95Å; V276-I279 PolarHBondContact O-N 2.94Å; K277-I279 PolarHBondContact O-N 3.27Å
280A98.3Very high97.8Very high0 Ų054.9 Ų54.90%027%0.265CS..SBendtrans-116.543.8-174.400000111.6I26 Y30 I33 V276 K277 E282 Y283 Y284I26-A280 HydrophobicContact CD1-CB 4.28Å; I26-A280 HydrophobicContact CG1-CB 4.28Å; I26-A280 HydrophobicContact CG2-CB 3.89Å; Y30-A280 HydrophobicContact CD2-CB 3.81Å; Y30-A280 HydrophobicContact CE2-CB 3.97Å; I33-A280 HydrophobicContact CD1-CB 4.17Å; V276-A280 PolarHBondContact O-N 3.17Å; K277-A280 CarbonylContact O-C 3.58Å; A280-E282 PolarHBondContact O-N 3.1Å; A280-Y283 HydrophobicContact CB-CD2 3.95Å; A280-Y283 WeakPolarHBondContact O-CB 3.36Å; A280-Y283 PolarHBondContact O-N 3.48Å; A280-Y284 HydrophobicContact CB-CE2 4.08Å; A280-Y284 WeakPolarHBondContact O-CD2 3.37Å
281S97.9Very high97.7Very high41 Ų4159.9 Ų59.929%0.28730%0.296SS..G310 helixtrans-63.1-31.1-167.681.70000112.8K277 Y283 Y284 D285K277-S281 WeakPolarHBondContact O-CA 3.17Å; K277-S281 WeakPolarHBondContact O-CB 3.46Å; K277-S281 PolarHBondContact O-N 3.3Å; S281-Y283 PolarHBondContact O-N 3.03Å; S281-Y283 VanDerWaalsContact O-N 3.09Å; S281-Y284 PolarHBondContact O-N 3.28Å; S281-D285 WeakPolarHBondContact CB-OD2 3.49Å; S281-D285 WeakPolarHBondContact O-CB 3.4Å; S281-D285 PolarHBondContact O-N 2.92Å; S281-D285 PolarHBondContact OG-OD2 3.15Å
282E97.6Very high97.7Very high75 Ų7556.2 Ų56.235%0.3529%0.289SS..G310 helixtrans-63.5-17.1177.273.4-88.6-150.400114K29 Y30 A280K29-E282 WeakPolarHBondContact CE-OE1 3.3Å; K29-E282 IonicContact NZ-OE1 2.79Å; K29-E282 PolarHBondContact NZ-OE1 2.7Å; Y30-E282 WeakPolarHBondContact CE2-OE1 3.46Å; Y30-E282 VanDerWaalsContact CZ-OE1 3.29Å; Y30-E282 PolarHBondContact OH-OE1 3.33Å; Y30-E282 PolarHBondContact OH-OE2 2.86Å; A280-E282 PolarHBondContact O-N 3.1Å
283Y98Very high97.7Very high58 Ų5853.2 Ų53.223%0.22728%0.277CS..G310 helixtrans-87-15175.3-69.7-92.8000112.9R22 D25 I26 K29 Y30 A280 S281 L287R22-Y283 HydrophobicContact CG-CD1 3.92Å; D25-Y283 HydrophobicContact CB-CE1 4.17Å; I26-Y283 HydrophobicContact CD1-CD1 4.09Å; I26-Y283 HydrophobicContact CD1-CD2 4.18Å; I26-Y283 HydrophobicContact CD1-CG 3.8Å; I26-Y283 HydrophobicContact CG1-CD1 3.67Å; I26-Y283 HydrophobicContact CG1-CD2 3.62Å; I26-Y283 HydrophobicContact CG1-CE1 3.8Å; I26-Y283 HydrophobicContact CG1-CE2 3.76Å; I26-Y283 HydrophobicContact CG1-CG 3.57Å; K29-Y283 HydrophobicContact CD-CE2 4.32Å; Y30-Y283 HydrophobicContact CE2-CE2 4.06Å; A280-Y283 HydrophobicContact CB-CD2 3.95Å; A280-Y283 WeakPolarHBondContact O-CB 3.36Å; A280-Y283 PolarHBondContact O-N 3.48Å; S281-Y283 PolarHBondContact O-N 3.03Å; S281-Y283 VanDerWaalsContact O-N 3.09Å; Y283-L287 WeakPolarHBondContact O-CD1 3.16Å
284Y98.2Very high97.6Very high1 Ų157 Ų570%0.00430%0.3CS..THydrogen-bonded Turntrans-123.1-27.6-171.3-55.8-69.4000114.1I26 N260 E261 D264 V276 K277 A280 S281 D286 L287I26-Y284 HydrophobicContact CD1-CE2 4.21Å; I26-Y284 WeakPolarHBondContact CD1-OH 3.09Å; N260-Y284 HydrophobicContact CB-CD1 4.07Å; N260-Y284 HydrophobicContact CB-CE1 4.13Å; E261-Y284 HydrophobicContact CB-CE1 4.44Å; E261-Y284 HydrophobicContact CG-CD1 4.1Å; E261-Y284 HydrophobicContact CG-CD2 4.27Å; E261-Y284 HydrophobicContact CG-CE1 3.79Å; E261-Y284 HydrophobicContact CG-CE2 3.98Å; E261-Y284 HydrophobicContact CG-CG 4.33Å; D264-Y284 VanDerWaalsContact OD2-CE1 3.3Å; D264-Y284 WeakPolarHBondContact OD2-CE1 3.4Å; D264-Y284 PolarHBondContact OD2-OH 2.9Å; V276-Y284 HydrophobicContact CG1-CE2 4.12Å; K277-Y284 HydrophobicContact CG-CD2 4.48Å; A280-Y284 HydrophobicContact CB-CE2 4.08Å; A280-Y284 WeakPolarHBondContact O-CD2 3.37Å; S281-Y284 PolarHBondContact O-N 3.28Å; Y284-D286 VanDerWaalsContact C-N 3.3Å; Y284-D286 PolarHBondContact O-N 2.71Å; Y284-L287 HydrophobicContact CD1-CD1 4.25Å; Y284-L287 WeakPolarHBondContact O-CB 3.4Å; Y284-L287 PolarHBondContact O-N 2.94Å; Y284-L287 VanDerWaalsContact O-N 3.15Å
285D96.7Very high97.6Very high82 Ų8260.3 Ų60.344%0.43931%0.311SS..THydrogen-bonded Turntrans-68.9-27.8-171.2-70.1-14.9000113.2K277 S281K277-D285 IonicContact NZ-OD1 3.79Å; K277-D285 PolarHBondContact NZ-OD1 3.43Å; S281-D285 WeakPolarHBondContact CB-OD2 3.49Å; S281-D285 WeakPolarHBondContact O-CB 3.4Å; S281-D285 PolarHBondContact O-N 2.92Å; S281-D285 PolarHBondContact OG-OD2 3.15Å
286D95.9Very high97.6Very high152 Ų15256.4 Ų56.481%0.81329%0.29SS*.THydrogen-bonded Turntrans-90.1-4.7175.8-66.2-37.4000113.3Y284Y284-D286 VanDerWaalsContact C-N 3.3Å; Y284-D286 PolarHBondContact O-N 2.71Å
287L97.1Very high97.5Very high41 Ų4157 Ų5722%0.21529%0.293CS..SBendtrans-77.2142.9176.5-63.8-178.7000110.7N260 Y283 Y284 Q289N260-L287 HydrophobicContact CB-CD1 4.35Å; Y283-L287 WeakPolarHBondContact O-CD1 3.16Å; Y284-L287 HydrophobicContact CD1-CD1 4.25Å; Y284-L287 WeakPolarHBondContact O-CB 3.4Å; Y284-L287 PolarHBondContact O-N 2.94Å; Y284-L287 VanDerWaalsContact O-N 3.15Å; L287-Q289 PolarHBondContact O-N 2.8Å
288P96.8Very high97.5Very high31 Ų3162.1 Ų62.120%0.20131%0.313CS..  trans-57.2134.9171.8-24.334000111.8L237 H240 Y243L237-P288 HydrophobicContact CD2-CG 3.76Å; H240-P288 HydrophobicContact CB-CG 4.36Å; H240-P288 VanDerWaalsContact CE1-CD 3.4Å; H240-P288 WeakPolarHBondContact CE1-CD 3.29Å; H240-P288 WeakPolarHBondContact ND1-CD 3.45Å; Y243-P288 HydrophobicContact CD1-CB 3.79Å; Y243-P288 HydrophobicContact CE1-CB 3.67Å; Y243-P288 HydrophobicContact CE1-CG 4.43Å
289Q96.8Very high97.5Very high91 Ų9156 Ų5643%0.42529%0.288SS..EExtended strand (participates in β ladder)trans-140.1156.3-173.963.2-178.730.800111.8S244 Y246 L287S244-Q289 CarbonylContact O-C 3.55Å; S244-Q289 VanDerWaalsContact O-CA 3.24Å; S244-Q289 WeakPolarHBondContact O-CA 3.33Å; Y246-Q289 HydrophobicContact CD2-CB 3.97Å; Y246-Q289 HydrophobicContact CD2-CG 4.3Å; Y246-Q289 HydrophobicContact CE2-CB 3.88Å; Y246-Q289 HydrophobicContact CE2-CG 4.44Å; L287-Q289 PolarHBondContact O-N 2.8Å
290Y97.6Very high97.4Very high28 Ų2853.6 Ų53.611%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-107.9151.7175.2-59.7-69000112.2A231 F236 Y243 S244 Y245 Y246 V296A231-Y290 HydrophobicContact CB-CD2 3.73Å; A231-Y290 HydrophobicContact CB-CE2 3.81Å; A231-Y290 WeakPolarHBondContact O-CE2 3.41Å; F236-Y290 VanDerWaalsContact CB-OH 3.25Å; F236-Y290 WeakPolarHBondContact CB-OH 3.45Å; F236-Y290 HydrophobicContact CD1-CE1 4.29Å; F236-Y290 WeakPolarHBondContact CD1-OH 3.48Å; F236-Y290 WeakPolarHBondContact CD2-OH 3.44Å; F236-Y290 WeakPolarHBondContact CG-OH 3.38Å; Y243-Y290 VanDerWaalsContact CB-CE2 3.42Å; Y243-Y290 AromaticContact CD1-CE2 3.72Å; Y243-Y290 HydrophobicContact CD1-CE2 3.72Å; Y243-Y290 AromaticContact CD1-CZ 3.9Å; Y243-Y290 HydrophobicContact CD2-CE2 4.3Å; Y243-Y290 HydrophobicContact CG-CD2 4.39Å; Y243-Y290 AromaticContact CG-CE2 3.56Å; Y243-Y290 HydrophobicContact CG-CE2 3.56Å; S244-Y290 PolarHBondContact O-N 3.09Å; Y245-Y290 VanDerWaalsContact CA-O 3.3Å; Y245-Y290 WeakPolarHBondContact CA-O 3.33Å; Y246-Y290 PolarHBondContact N-O 3.05Å; Y290-V296 HydrophobicContact CD1-CG2 3.45Å; Y290-V296 VanDerWaalsContact CD1-CG2 3.45Å; Y290-V296 HydrophobicContact CD2-CG2 4.04Å; Y290-V296 HydrophobicContact CE1-CG2 3.69Å; Y290-V296 HydrophobicContact CE2-CG2 4.22Å; Y290-V296 HydrophobicContact CG-CG2 3.63Å
291T95.9Very high97.4Very high105 Ų10554.5 Ų54.564%0.64428%0.28SS*.SBendtrans-118-8.9170.656.80000112.7Y245Y245-T291 VanDerWaalsContact CE2-O 3.29Å; Y245-T291 WeakPolarHBondContact CE2-O 3.31Å
292S97.4Very high97.3Very high44 Ų4456.2 Ų56.231%0.30828%0.284SS..  trans-146.2113.2178.71780000112.4V294 K295 V296S292-V294 VanDerWaalsContact C-N 3.29Å; S292-V294 PolarHBondContact O-N 3.05Å; S292-V294 PolarHBondContact OG-N 3.03Å; S292-K295 WeakPolarHBondContact O-CB 3.49Å; S292-K295 PolarHBondContact O-N 3.25Å; S292-K295 PolarHBondContact OG-N 3.34Å; S292-V296 PolarHBondContact O-N 3.39Å; S292-V296 VanDerWaalsContact O-N 3.16Å
293W97.8Very high97.2Very high2 Ų254.5 Ų54.51%0.00828%0.278CS..Hα-helixtrans-67.7-27.4171.3-74.8-28.1000113.3P224 I225 H228 Y245 L249 T253 V256 K295 V296 L297P224-W293 WeakPolarHBondContact O-CB 3.4Å; I225-W293 HydrophobicContact CG2-CE3 4.27Å; I225-W293 HydrophobicContact CG2-CZ3 3.9Å; H228-W293 HydrophobicContact CB-CD2 3.88Å; H228-W293 VanDerWaalsContact CB-CE2 3.42Å; H228-W293 HydrophobicContact CB-CE3 4.19Å; H228-W293 HydrophobicContact CB-CH2 3.76Å; H228-W293 HydrophobicContact CB-CZ2 3.36Å; H228-W293 HydrophobicContact CB-CZ3 4.15Å; Y245-W293 VanDerWaalsContact CB-NE1 3.27Å; Y245-W293 HydrophobicContact CD1-CD2 4.04Å; Y245-W293 AromaticContact CD1-CE2 3.46Å; Y245-W293 VanDerWaalsContact CD1-CE2 3.46Å; Y245-W293 HydrophobicContact CD1-CE3 4.48Å; Y245-W293 AromaticContact CD1-CH2 3.91Å; Y245-W293 HydrophobicContact CD1-CH2 3.91Å; Y245-W293 AromaticContact CD1-CZ2 3.4Å; Y245-W293 HydrophobicContact CD1-CZ2 3.4Å; Y245-W293 HydrophobicContact CD1-CZ3 4.41Å; Y245-W293 AromaticContact CD1-NE1 3.88Å; Y245-W293 AromaticContact CD2-CD1 3.7Å; Y245-W293 HydrophobicContact CD2-CD2 4.22Å; Y245-W293 AromaticContact CD2-CE2 3.98Å; Y245-W293 HydrophobicContact CD2-CG 4.05Å; Y245-W293 AromaticContact CD2-NE1 3.65Å; Y245-W293 HydrophobicContact CE1-CD2 4.13Å; Y245-W293 HydrophobicContact CE1-CE3 4.25Å; Y245-W293 HydrophobicContact CE1-CH2 4.15Å; Y245-W293 HydrophobicContact CE1-CZ2 4.04Å; Y245-W293 HydrophobicContact CE1-CZ3 4.25Å; Y245-W293 HydrophobicContact CE2-CD2 4.28Å; Y245-W293 HydrophobicContact CE2-CG 4.14Å; Y245-W293 AromaticContact CG-CD1 3.89Å; Y245-W293 HydrophobicContact CG-CD2 4.09Å; Y245-W293 AromaticContact CG-CE2 3.44Å; Y245-W293 VanDerWaalsContact CG-CE2 3.44Å; Y245-W293 HydrophobicContact CG-CG 4.33Å; Y245-W293 AromaticContact CG-CZ2 3.79Å; Y245-W293 HydrophobicContact CG-CZ2 3.79Å; Y245-W293 AromaticContact CG-NE1 3.32Å; Y245-W293 VanDerWaalsContact CG-NE1 3.32Å; L249-W293 HydrophobicContact CB-CE3 3.76Å; L249-W293 HydrophobicContact CB-CZ3 3.66Å; L249-W293 HydrophobicContact CD1-CB 4.35Å; L249-W293 HydrophobicContact CD1-CD2 4.43Å; L249-W293 HydrophobicContact CD1-CE3 3.6Å; L249-W293 HydrophobicContact CD1-CZ3 4.32Å; L249-W293 HydrophobicContact CG-CE3 4.34Å; T253-W293 HydrophobicContact CG2-CH2 4.21Å; T253-W293 HydrophobicContact CG2-CZ3 3.87Å; V256-W293 HydrophobicContact CG1-CH2 3.96Å; V256-W293 HydrophobicContact CG1-CZ2 4.38Å; W293-K295 VanDerWaalsContact C-N 3.29Å; W293-K295 PolarHBondContact O-N 3.22Å; W293-V296 WeakPolarHBondContact O-CB 3.16Å; W293-V296 PolarHBondContact O-N 3.17Å; W293-L297 WeakPolarHBondContact O-CG 3.02Å; W293-L297 PolarHBondContact O-N 2.95Å
294V97.6Very high97Very high79 Ų7953.3 Ų53.348%0.47928%0.275SS..Hα-helixtrans-62.1-41.5170.8177.90000110.5P224 S292 V296 L297 Y298P224-V294 HydrophobicContact CB-CG2 3.65Å; P224-V294 HydrophobicContact CG-CG2 4.23Å; S292-V294 VanDerWaalsContact C-N 3.29Å; S292-V294 PolarHBondContact O-N 3.05Å; S292-V294 PolarHBondContact OG-N 3.03Å; V294-V296 VanDerWaalsContact C-N 3.34Å; V294-L297 PolarHBondContact O-N 2.81Å; V294-Y298 PolarHBondContact O-N 3.17Å
295K97.7Very high96.7Very high112 Ų11261.7 Ų61.749%0.48731%0.307SS..Hα-helixtrans-64.2-40.8175.3-166.3-166.9-176.8-53.20111.1S292 W293 L297 Y298 D299S292-K295 WeakPolarHBondContact O-CB 3.49Å; S292-K295 PolarHBondContact O-N 3.25Å; S292-K295 PolarHBondContact OG-N 3.34Å; W293-K295 VanDerWaalsContact C-N 3.29Å; W293-K295 PolarHBondContact O-N 3.22Å; K295-L297 PolarHBondContact O-N 3.12Å; K295-Y298 PolarHBondContact O-N 2.98Å; K295-D299 IonicContact NZ-OD1 3.91Å; K295-D299 PolarHBondContact NZ-OD1 3.5Å; K295-D299 IonicContact NZ-OD2 2.63Å; K295-D299 PolarHBondContact NZ-OD2 2.92Å; K295-D299 WeakPolarHBondContact O-CB 3.49Å; K295-D299 PolarHBondContact O-N 2.98Å
296V97.8Very high96.7Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-57.4-47.5175.2174.30000111.4I230 A231 F236 Y290 S292 W293 V294 Y298 D299 F300I230-V296 HydrophobicContact CB-CG1 3.95Å; I230-V296 HydrophobicContact CG2-CG1 3.8Å; A231-V296 HydrophobicContact CB-CG1 4.01Å; A231-V296 HydrophobicContact CB-CG2 4.07Å; F236-V296 HydrophobicContact CE1-CG1 4.38Å; F236-V296 HydrophobicContact CE2-CG1 4.38Å; F236-V296 HydrophobicContact CZ-CG1 3.77Å; Y290-V296 HydrophobicContact CD1-CG2 3.45Å; Y290-V296 VanDerWaalsContact CD1-CG2 3.45Å; Y290-V296 HydrophobicContact CD2-CG2 4.04Å; Y290-V296 HydrophobicContact CE1-CG2 3.69Å; Y290-V296 HydrophobicContact CE2-CG2 4.22Å; Y290-V296 HydrophobicContact CG-CG2 3.63Å; S292-V296 PolarHBondContact O-N 3.39Å; S292-V296 VanDerWaalsContact O-N 3.16Å; W293-V296 WeakPolarHBondContact O-CB 3.16Å; W293-V296 PolarHBondContact O-N 3.17Å; V294-V296 VanDerWaalsContact C-N 3.34Å; V296-Y298 PolarHBondContact O-N 2.97Å; V296-D299 PolarHBondContact O-N 3.25Å; V296-F300 VanDerWaalsContact O-CB 3.32Å; V296-F300 WeakPolarHBondContact O-CB 3.24Å; V296-F300 PolarHBondContact O-N 3.26Å
297L97.8Very high96.7Very high11 Ų1150.8 Ų50.86%0.05825%0.249CC..Hα-helixtrans-60.1-45.9176.4-67.9173.2000111.6I163 H223 I230 W293 V294 K295 F300 I301I163-L297 HydrophobicContact CD1-CD2 4.04Å; I163-L297 HydrophobicContact CG1-CD2 4.47Å; I163-L297 HydrophobicContact CG2-CD2 4.17Å; H223-L297 WeakPolarHBondContact O-CD1 3.45Å; I230-L297 HydrophobicContact CD1-CD2 4.03Å; W293-L297 WeakPolarHBondContact O-CG 3.02Å; W293-L297 PolarHBondContact O-N 2.95Å; V294-L297 PolarHBondContact O-N 2.81Å; K295-L297 PolarHBondContact O-N 3.12Å; L297-F300 PolarHBondContact O-N 3.1Å; L297-I301 WeakPolarHBondContact O-CD1 3.41Å; L297-I301 VanDerWaalsContact O-CG1 3.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 3.14Å; L297-I301 VanDerWaalsContact O-N 3.12Å
298Y97.9Very high96.7Very high137 Ų13748.9 Ų48.954%0.53724%0.238SC..Hα-helixtrans-61.1-51.1178.2177.4-90.4000112V294 K295 V296 F300 I301 M302V294-Y298 PolarHBondContact O-N 3.17Å; K295-Y298 PolarHBondContact O-N 2.98Å; V296-Y298 PolarHBondContact O-N 2.97Å; Y298-F300 VanDerWaalsContact C-N 3.34Å; Y298-F300 PolarHBondContact O-N 3.08Å; Y298-I301 PolarHBondContact O-N 2.84Å; Y298-I301 VanDerWaalsContact O-N 3.17Å; Y298-M302 HydrophobicContact CD1-CB 4.49Å; Y298-M302 HydrophobicContact CD1-CG 4.3Å; Y298-M302 HydrophobicContact CD2-CG 4.08Å; Y298-M302 HydrophobicContact CE1-CB 4.12Å; Y298-M302 HydrophobicContact CE1-CG 3.96Å; Y298-M302 HydrophobicContact CE2-CE 4.09Å; Y298-M302 HydrophobicContact CE2-CG 3.73Å; Y298-M302 HydrophobicContact CG-CG 4.35Å; Y298-M302 WeakPolarHBondContact O-CB 3.37Å; Y298-M302 WeakPolarHBondContact O-CG 3.28Å; Y298-M302 PolarHBondContact O-N 3.3Å
299D97.4Very high96.7Very high35 Ų3548.3 Ų48.319%0.18723%0.232CC..Hα-helixtrans-60.9-44.2179.7-70.4-13000110.4F236 K295 V296 I301 M302 D303F236-D299 HydrophobicContact CE1-CB 3.78Å; K295-D299 IonicContact NZ-OD1 3.91Å; K295-D299 PolarHBondContact NZ-OD1 3.5Å; K295-D299 IonicContact NZ-OD2 2.63Å; K295-D299 PolarHBondContact NZ-OD2 2.92Å; K295-D299 WeakPolarHBondContact O-CB 3.49Å; K295-D299 PolarHBondContact O-N 2.98Å; V296-D299 PolarHBondContact O-N 3.25Å; D299-I301 VanDerWaalsContact C-N 3.26Å; D299-I301 PolarHBondContact O-N 2.98Å; D299-M302 PolarHBondContact O-N 3.33Å; D299-D303 WeakPolarHBondContact O-CB 3.4Å; D299-D303 PolarHBondContact O-N 3.05Å
300F97.4Very high96.7Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-57.5-40.8176.4-175.8-94.9000111.8K159 W162 I163 I230 Y234 F236 V296 L297 Y298 L306 P308K159-F300 HydrophobicContact CB-CD1 4.32Å; K159-F300 HydrophobicContact CB-CE1 4.06Å; K159-F300 HydrophobicContact CD-CD1 4.39Å; K159-F300 HydrophobicContact CD-CE1 4.12Å; K159-F300 VanDerWaalsContact CD-O 3.3Å; K159-F300 WeakPolarHBondContact CD-O 3.22Å; K159-F300 WeakPolarHBondContact CE-O 3.13Å; K159-F300 HydrophobicContact CG-CE1 4.12Å; K159-F300 PolarHBondContact NZ-O 3.39Å; W162-F300 AromaticContact CE3-CE1 3.62Å; W162-F300 HydrophobicContact CE3-CE1 3.62Å; W162-F300 AromaticContact CE3-CZ 3.91Å; W162-F300 HydrophobicContact CE3-CZ 3.91Å; W162-F300 AromaticContact CZ3-CE1 3.77Å; W162-F300 HydrophobicContact CZ3-CE1 3.77Å; W162-F300 AromaticContact CZ3-CZ 3.75Å; W162-F300 HydrophobicContact CZ3-CZ 3.75Å; I163-F300 HydrophobicContact CD1-CD1 3.91Å; I163-F300 HydrophobicContact CG1-CD1 4.37Å; I230-F300 HydrophobicContact CD1-CB 4.01Å; I230-F300 HydrophobicContact CD1-CD1 3.72Å; I230-F300 HydrophobicContact CD1-CD2 4.09Å; I230-F300 HydrophobicContact CD1-CE1 4.16Å; I230-F300 HydrophobicContact CD1-CE2 4.49Å; I230-F300 HydrophobicContact CD1-CG 3.66Å; I230-F300 HydrophobicContact CG2-CB 4.15Å; I230-F300 HydrophobicContact CG2-CD2 3.64Å; I230-F300 HydrophobicContact CG2-CE2 4.29Å; I230-F300 HydrophobicContact CG2-CG 4.04Å; Y234-F300 HydrophobicContact CD1-CD2 4.47Å; Y234-F300 AromaticContact CD1-CE2 3.78Å; Y234-F300 HydrophobicContact CD1-CE2 3.78Å; Y234-F300 AromaticContact CE1-CE2 3.86Å; Y234-F300 HydrophobicContact CE1-CE2 3.86Å; Y234-F300 HydrophobicContact CE1-CZ 4.35Å; F236-F300 HydrophobicContact CE2-CD2 4.48Å; F236-F300 HydrophobicContact CZ-CB 4.13Å; V296-F300 VanDerWaalsContact O-CB 3.32Å; V296-F300 WeakPolarHBondContact O-CB 3.24Å; V296-F300 PolarHBondContact O-N 3.26Å; L297-F300 PolarHBondContact O-N 3.1Å; Y298-F300 VanDerWaalsContact C-N 3.34Å; Y298-F300 PolarHBondContact O-N 3.08Å; F300-L306 HydrophobicContact CD2-CB 4.27Å; F300-P308 HydrophobicContact CZ-CG 4.38Å
301I97.3Very high96.6Very high20 Ų2042.9 Ų42.910%0.10321%0.208CC..Hα-helixtrans-71.1-45.9177.9-67.2162.4000111.3R156 K159 F160 I163 L297 Y298 D299R156-I301 WeakPolarHBondContact CA-O 3.48Å; R156-I301 HydrophobicContact CB-CG2 4.47Å; R156-I301 WeakPolarHBondContact CB-O 3.04Å; R156-I301 WeakPolarHBondContact CG-O 3.06Å; K159-I301 WeakPolarHBondContact CE-O 3.16Å; K159-I301 PolarHBondContact NZ-O 3.18Å; F160-I301 HydrophobicContact CB-CD1 4.35Å; F160-I301 HydrophobicContact CB-CG1 4.42Å; F160-I301 HydrophobicContact CB-CG2 4.3Å; F160-I301 HydrophobicContact CD2-CD1 3.97Å; I163-I301 HydrophobicContact CD1-CD1 3.69Å; I163-I301 HydrophobicContact CD1-CG1 3.54Å; L297-I301 WeakPolarHBondContact O-CD1 3.41Å; L297-I301 VanDerWaalsContact O-CG1 3.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 3.14Å; L297-I301 VanDerWaalsContact O-N 3.12Å; Y298-I301 PolarHBondContact O-N 2.84Å; Y298-I301 VanDerWaalsContact O-N 3.17Å; D299-I301 VanDerWaalsContact C-N 3.26Å; D299-I301 PolarHBondContact O-N 2.98Å
302M97.1Very high96.7Very high77 Ų7738.3 Ų38.338%0.37918%0.18SC..Hα-helixtrans-92.3-25.3-164.8-65.1-61.8-17900114.5R156 Y298 D299 D304R156-M302 PolarHBondContact NE-O 2.83Å; Y298-M302 HydrophobicContact CD1-CB 4.49Å; Y298-M302 HydrophobicContact CD1-CG 4.3Å; Y298-M302 HydrophobicContact CD2-CG 4.08Å; Y298-M302 HydrophobicContact CE1-CB 4.12Å; Y298-M302 HydrophobicContact CE1-CG 3.96Å; Y298-M302 HydrophobicContact CE2-CE 4.09Å; Y298-M302 HydrophobicContact CE2-CG 3.73Å; Y298-M302 HydrophobicContact CG-CG 4.35Å; Y298-M302 WeakPolarHBondContact O-CB 3.37Å; Y298-M302 WeakPolarHBondContact O-CG 3.28Å; Y298-M302 PolarHBondContact O-N 3.3Å; D299-M302 PolarHBondContact O-N 3.33Å; M302-D304 PolarHBondContact O-N 3.37Å
303D95.3Very high96.6Very high39 Ų3937.2 Ų37.221%0.20917%0.17CC..  trans-79.5115.4178.7-168.7-25.2000110.2K159 D299 R305 L306K159-D303 PolarHBondContact NZ-O 2.96Å; D299-D303 WeakPolarHBondContact O-CB 3.4Å; D299-D303 PolarHBondContact O-N 3.05Å; D303-R305 PolarHBondContact O-N 2.96Å; D303-R305 VanDerWaalsContact O-N 3.09Å; D303-R305 VanDerWaalsContact OD1-CB 3.23Å; D303-R305 WeakPolarHBondContact OD1-CB 3.41Å; D303-R305 WeakPolarHBondContact OD1-CG 3.19Å; D303-R305 IonicContact OD1-CZ 3.55Å; D303-R305 PolarHBondContact OD1-N 2.93Å; D303-R305 IonicContact OD1-NE 3.88Å; D303-R305 PolarHBondContact OD1-NE 3.5Å; D303-R305 IonicContact OD1-NH2 3.51Å; D303-R305 IonicContact OD2-CZ 3.64Å; D303-R305 IonicContact OD2-NE 2.86Å; D303-R305 PolarHBondContact OD2-NE 3.14Å; D303-R305 IonicContact OD2-NH2 3.61Å; D303-R305 PolarHBondContact OD2-NH2 3.04Å; D303-L306 HydrophobicContact CB-CB 4.44Å; D303-L306 HydrophobicContact CB-CD1 3.92Å; D303-L306 HydrophobicContact CB-CG 4Å; D303-L306 PolarHBondContact O-N 3.37Å; D303-L306 VanDerWaalsContact O-N 3.13Å
304D93.3Very high96.4Very high33 Ų3337.6 Ų37.618%0.17617%0.171CC..THydrogen-bonded Turntrans-73.34.4-179.3-61.3-32000113.1V5 P6 R156 M302V5-D304 WeakPolarHBondContact CA-O 3.23Å; V5-D304 WeakPolarHBondContact CG1-O 3.37Å; V5-D304 WeakPolarHBondContact CG2-O 3.42Å; P6-D304 VanDerWaalsContact CD-O 3.22Å; P6-D304 WeakPolarHBondContact CD-O 3.08Å; R156-D304 WeakPolarHBondContact CG-OD1 3.35Å; R156-D304 IonicContact CZ-OD1 3.57Å; R156-D304 IonicContact CZ-OD2 3.73Å; R156-D304 IonicContact NE-OD1 3.57Å; R156-D304 PolarHBondContact NE-OD1 3.13Å; R156-D304 IonicContact NE-OD2 3.91Å; R156-D304 IonicContact NH2-OD1 2.74Å; R156-D304 IonicContact NH2-OD2 3.11Å; R156-D304 PolarHBondContact NH2-OD2 3.41Å; M302-D304 PolarHBondContact O-N 3.37Å
305R92.6Very high96.2Very high177 Ų17742.5 Ų42.567%0.66818%0.181SC*.THydrogen-bonded Turntrans-95.3-16170.4-56171.1-64.7173.84.9112.9D303D303-R305 PolarHBondContact O-N 2.96Å; D303-R305 VanDerWaalsContact O-N 3.09Å; D303-R305 VanDerWaalsContact OD1-CB 3.23Å; D303-R305 WeakPolarHBondContact OD1-CB 3.41Å; D303-R305 WeakPolarHBondContact OD1-CG 3.19Å; D303-R305 IonicContact OD1-CZ 3.55Å; D303-R305 PolarHBondContact OD1-N 2.93Å; D303-R305 IonicContact OD1-NE 3.88Å; D303-R305 PolarHBondContact OD1-NE 3.5Å; D303-R305 IonicContact OD1-NH2 3.51Å; D303-R305 IonicContact OD2-CZ 3.64Å; D303-R305 IonicContact OD2-NE 2.86Å; D303-R305 PolarHBondContact OD2-NE 3.14Å; D303-R305 IonicContact OD2-NH2 3.61Å; D303-R305 PolarHBondContact OD2-NH2 3.04Å
306L95.8Very high95.8Very high5 Ų539.7 Ų39.73%0.02617%0.171CC..  trans-100.9137.8-176.7-59178.5000111.6V5 K159 F236 F300 D303 S310V5-L306 VanDerWaalsContact CG2-O 3.29Å; V5-L306 WeakPolarHBondContact CG2-O 3.49Å; K159-L306 VanDerWaalsContact CD-O 3.25Å; K159-L306 WeakPolarHBondContact CD-O 3.1Å; K159-L306 PolarHBondContact NZ-O 3.42Å; F236-L306 HydrophobicContact CD1-CD1 3.58Å; F236-L306 HydrophobicContact CD2-CD1 4.14Å; F236-L306 HydrophobicContact CD2-CD2 4.18Å; F236-L306 HydrophobicContact CE1-CD1 3.36Å; F236-L306 HydrophobicContact CE2-CD1 3.93Å; F236-L306 HydrophobicContact CG-CD1 3.98Å; F236-L306 HydrophobicContact CG-CD2 4.19Å; F236-L306 HydrophobicContact CZ-CD1 3.55Å; F300-L306 HydrophobicContact CD2-CB 4.27Å; D303-L306 HydrophobicContact CB-CB 4.44Å; D303-L306 HydrophobicContact CB-CD1 3.92Å; D303-L306 HydrophobicContact CB-CG 4Å; D303-L306 PolarHBondContact O-N 3.37Å; D303-L306 VanDerWaalsContact O-N 3.13Å; L306-S310 WeakPolarHBondContact CA-OG 3.44Å
307S96.2Very high94.9Very high0 Ų047.2 Ų47.20%020%0.204CC..SBendtrans-157.4177.9176.2630000110.1Y309 S310S307-Y309 PolarHBondContact O-N 3.16Å; S307-Y309 VanDerWaalsContact O-N 3.11Å; S307-Y309 PolarHBondContact OG-N 2.68Å; S307-S310 PolarHBondContact N-OG 3.23Å; S307-S310 VanDerWaalsContact N-OG 3.11Å; S307-S310 VanDerWaalsContact O-CB 3.26Å; S307-S310 WeakPolarHBondContact O-CB 3.3Å; S307-S310 PolarHBondContact O-N 2.8Å; S307-S310 PolarHBondContact O-OG 3.37Å
308P96.8Very high93.9Very high0 Ų049.9 Ų49.90%023%0.234CC..THydrogen-bonded Turntrans-58.1-21.4171.9-23.634.9000114P145 E149 F153 W162 F300 S310P145-P308 HydrophobicContact CB-CB 3.74Å; P145-P308 HydrophobicContact CG-CB 3.79Å; E149-P308 HydrophobicContact CB-CB 4.35Å; F153-P308 HydrophobicContact CB-CG 4.03Å; F153-P308 WeakPolarHBondContact O-CD 3.36Å; W162-P308 HydrophobicContact CD2-CG 4.2Å; W162-P308 HydrophobicContact CG-CG 4.46Å; F300-P308 HydrophobicContact CZ-CG 4.38Å; P308-S310 VanDerWaalsContact C-N 3.26Å; P308-S310 PolarHBondContact O-N 3.21Å
309Y97.1Very high92.9Very high19 Ų1950.6 Ų50.68%0.07525%0.247CC..THydrogen-bonded Turntrans-73.1-10171.4-73.5-57.7000114.8R7 E8 Y10 E147 G150 W151 S307 R311R7-Y309 WeakPolarHBondContact CD-O 3.47Å; R7-Y309 WeakPolarHBondContact O-CD2 3.44Å; E8-Y309 WeakPolarHBondContact O-CE2 3.36Å; E8-Y309 VanDerWaalsContact O-CZ 3.24Å; E8-Y309 PolarHBondContact O-OH 3.07Å; Y10-Y309 AromaticContact CD1-CD1 3.91Å; Y10-Y309 HydrophobicContact CD1-CD1 3.91Å; Y10-Y309 HydrophobicContact CD2-CD1 4.11Å; Y10-Y309 HydrophobicContact CD2-CE1 4.33Å; Y10-Y309 AromaticContact CE1-CD1 3.67Å; Y10-Y309 HydrophobicContact CE1-CD1 3.67Å; Y10-Y309 HydrophobicContact CE1-CE1 4.29Å; Y10-Y309 AromaticContact CE2-CD1 3.9Å; Y10-Y309 HydrophobicContact CE2-CD1 3.9Å; Y10-Y309 AromaticContact CE2-CE1 3.83Å; Y10-Y309 HydrophobicContact CE2-CE1 3.83Å; Y10-Y309 HydrophobicContact CG-CD1 4.12Å; Y10-Y309 AromaticContact CZ-CD1 3.65Å; Y10-Y309 AromaticContact CZ-CE1 3.78Å; E147-Y309 PolarHBondContact O-OH 2.57Å; E147-Y309 VanDerWaalsContact O-OH 3.08Å; G150-Y309 VanDerWaalsContact C-CD2 3.46Å; G150-Y309 VanDerWaalsContact CA-CE2 3.48Å; G150-Y309 WeakPolarHBondContact O-CE2 3.27Å; W151-Y309 HydrophobicContact CB-CE2 4.38Å; W151-Y309 PolarHBondContact N-OH 2.96Å; S307-Y309 PolarHBondContact O-N 3.16Å; S307-Y309 VanDerWaalsContact O-N 3.11Å; S307-Y309 PolarHBondContact OG-N 2.68Å; Y309-R311 PolarHBondContact O-N 3.38Å
310S96.7Very high92.2Very high1 Ų151.7 Ų51.71%0.00726%0.255CS..  trans-74.756179.5-60.80000111.4Y234 M235 L306 S307 P308Y234-S310 CarbonylContact C-O 3.5Å; Y234-S310 VanDerWaalsContact CA-O 3.26Å; Y234-S310 WeakPolarHBondContact CA-O 3.48Å; Y234-S310 WeakPolarHBondContact CD1-O 3.49Å; M235-S310 PolarHBondContact N-O 3.16Å; L306-S310 WeakPolarHBondContact CA-OG 3.44Å; S307-S310 PolarHBondContact N-OG 3.23Å; S307-S310 VanDerWaalsContact N-OG 3.11Å; S307-S310 VanDerWaalsContact O-CB 3.26Å; S307-S310 WeakPolarHBondContact O-CB 3.3Å; S307-S310 PolarHBondContact O-N 2.8Å; S307-S310 PolarHBondContact O-OG 3.37Å; P308-S310 VanDerWaalsContact C-N 3.26Å; P308-S310 PolarHBondContact O-N 3.21Å
311R96.6Very high91.4Very high4 Ų458.9 Ų58.92%0.01529%0.286CS..SBendtrans-134.2152.7-178.8-66-69-65.1-107.8-1.3109.2Y10 E11 D143 I144 H233 Y234 Y309Y10-R311 HydrophobicContact CD1-CB 4.21Å; E11-R311 PolarHBondContact N-O 2.82Å; D143-R311 PolarHBondContact O-NH1 2.97Å; D143-R311 VanDerWaalsContact O-NH1 3.14Å; D143-R311 IonicContact OD2-CZ 3.39Å; D143-R311 IonicContact OD2-NH1 3.77Å; D143-R311 PolarHBondContact OD2-NH1 3.19Å; D143-R311 IonicContact OD2-NH2 3.58Å; D143-R311 PolarHBondContact OD2-NH2 3.07Å; I144-R311 HydrophobicContact CG2-CB 4.09Å; I144-R311 HydrophobicContact CG2-CG 4.33Å; H233-R311 VanDerWaalsContact O-CD 3.22Å; H233-R311 WeakPolarHBondContact O-CD 3.45Å; H233-R311 PolarHBondContact O-NE 3.47Å; Y234-R311 HydrophobicContact CD1-CG 4.09Å; Y234-R311 HydrophobicContact CE1-CG 3.85Å; Y309-R311 PolarHBondContact O-N 3.38Å
312V96.3Very high90.6Very high10 Ų1061.6 Ų61.66%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-87.9133.2170.6173.60000109.4E11 V13 M235 E241E11-V312 HydrophobicContact CB-CG2 4.28Å; E11-V312 CarbonylContact O-C 3.48Å; E11-V312 WeakPolarHBondContact O-CA 3.42Å; V13-V312 HydrophobicContact CB-CG1 4.29Å; V13-V312 HydrophobicContact CG1-CG1 3.87Å; V13-V312 HydrophobicContact CG2-CG1 3.45Å; V13-V312 VanDerWaalsContact CG2-CG1 3.45Å; M235-V312 HydrophobicContact SD-CG2 4.18Å; E241-V312 HydrophobicContact CB-CB 4.02Å; E241-V312 HydrophobicContact CB-CG2 3.7Å
313K96.1Very high89.6Confident20 Ų2062.3 Ų62.39%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-119.3146.8169.6-72.4-17180.71780110.6Y10 E11 W12 V13 G136 D138 I144Y10-K313 HydrophobicContact CD1-CD 3.84Å; Y10-K313 HydrophobicContact CD1-CG 4.14Å; Y10-K313 HydrophobicContact CD2-CD 3.24Å; Y10-K313 HydrophobicContact CD2-CG 4.2Å; Y10-K313 HydrophobicContact CE1-CD 4.25Å; Y10-K313 HydrophobicContact CE2-CD 3.71Å; Y10-K313 HydrophobicContact CG-CD 3.31Å; Y10-K313 HydrophobicContact CG-CG 3.77Å; E11-K313 PolarHBondContact O-N 3.32Å; W12-K313 WeakPolarHBondContact CA-O 3.47Å; W12-K313 HydrophobicContact CD2-CB 4.06Å; W12-K313 HydrophobicContact CE3-CB 3.81Å; W12-K313 HydrophobicContact CH2-CB 4.12Å; W12-K313 HydrophobicContact CH2-CD 4.25Å; W12-K313 HydrophobicContact CZ2-CB 4.33Å; W12-K313 HydrophobicContact CZ2-CD 4.17Å; W12-K313 HydrophobicContact CZ3-CB 3.84Å; V13-K313 PolarHBondContact N-O 3.38Å; G136-K313 CarbonylContact O-C 3.6Å; G136-K313 VanDerWaalsContact O-CA 3.29Å; G136-K313 WeakPolarHBondContact O-CA 3.38Å; D138-K313 WeakPolarHBondContact OD1-CE 3.42Å; D138-K313 IonicContact OD1-NZ 2.84Å; D138-K313 PolarHBondContact OD1-NZ 3.11Å; I144-K313 HydrophobicContact CD1-CG 3.85Å; I144-K313 HydrophobicContact CG2-CD 4.22Å; I144-K313 HydrophobicContact CG2-CG 4.16Å
314R94.6Very high89.3Confident10 Ų1063.5 Ų63.54%0.03831%0.308CS..EExtended strand (participates in β ladder)trans-139.3145.2178.853.1-179.661.880.34.1111V13 T15 L135 G136 D138 E241V13-R314 HydrophobicContact CG2-CB 4.01Å; T15-R314 PolarHBondContact O-NE 3.01Å; L135-R314 VanDerWaalsContact O-CD 3.27Å; L135-R314 WeakPolarHBondContact O-CD 3.4Å; L135-R314 PolarHBondContact O-NH1 3.41Å; G136-R314 WeakPolarHBondContact O-CG 3.24Å; G136-R314 PolarHBondContact O-N 3.25Å; D138-R314 PolarHBondContact N-O 3.2Å; E241-R314 IonicContact OE1-CZ 3.29Å; E241-R314 IonicContact OE1-NH2 3.59Å; E241-R314 PolarHBondContact OE1-NH2 2.75Å; E241-R314 IonicContact OE2-CZ 3.67Å; E241-R314 VanDerWaalsContact OE2-CZ 3.22Å; E241-R314 IonicContact OE2-NH1 2.66Å; E241-R314 PolarHBondContact OE2-NH1 3.4Å; E241-R314 IonicContact OE2-NH2 3Å; E241-R314 PolarHBondContact OE2-NH2 3.13Å
315R92.7Very high89.1Confident182 Ų18265.1 Ų65.169%0.68732%0.315SS*.  trans-82.3121.3170.1-66.1-172.1-179.4-169.30.2108.7W12W12-R315 HydrophobicContact CZ3-CG 4.1Å
316L88.6Confident88.9Confident54 Ų5458.9 Ų58.928%0.28330%0.295SS..  trans-69.3143.4178.8-60.8179000110.6Y134 V140 V320Y134-L316 HydrophobicContact CD1-CD1 4.04Å; Y134-L316 HydrophobicContact CD1-CD2 3.98Å; Y134-L316 HydrophobicContact CG-CD1 4.2Å; V140-L316 HydrophobicContact CB-CD1 3.91Å; V140-L316 HydrophobicContact CG1-CD1 4.45Å; V140-L316 HydrophobicContact CG2-CD1 3.51Å; L316-V320 HydrophobicContact CB-CG2 4.26Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD1-CG2 3.77Å
317K79.6Confident88.5Confident157 Ų15762.1 Ų62.168%0.68331%0.311SS*.  trans-109.8135.5176.9-63.2174.7-172.8161.30109.2Y14Y14-K317 PolarHBondContact O-NZ 3.02Å
318G77.3Confident88.1Confident67 Ų6765.9 Ų65.969%0.69133%0.33SS*.SBendtrans77.2-168.8178.300000114.5V320G318-V320 PolarHBondContact O-N 3.13Å
319D76.6Confident87.5Confident153 Ų15370.3 Ų70.382%0.81835%0.352SS*.  trans-72.6123.2-175.9-64.9-27.6000112K321D319-K321 PolarHBondContact O-N 3.21Å
320V82.1Confident86.8Confident58 Ų5874 Ų7435%0.35237%0.372SS..  trans-81.6117.4175.5-175.10000109.5Y134 V140 L316 G318 L322Y134-V320 HydrophobicContact CD2-CG1 4.2Å; Y134-V320 HydrophobicContact CE1-CG1 4.37Å; Y134-V320 HydrophobicContact CE2-CG1 3.77Å; V140-V320 HydrophobicContact CG1-CG1 4.35Å; V140-V320 HydrophobicContact CG2-CG1 3.91Å; L316-V320 HydrophobicContact CB-CG2 4.26Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD1-CG2 3.77Å; G318-V320 PolarHBondContact O-N 3.13Å; V320-L322 HydrophobicContact CG1-CD2 3.47Å; V320-L322 VanDerWaalsContact CG1-CD2 3.47Å; V320-L322 HydrophobicContact CG1-CG 3.9Å
321K81.4Confident86Confident150 Ų15079.6 Ų79.665%0.65240%0.4SS*.  trans-100.795176.6-64.9-177.1-178.3179.10109.6R133 Y134 D319R133-K321 PolarHBondContact NH1-O 3.14Å; Y134-K321 WeakPolarHBondContact CE2-O 3.35Å; Y134-K321 PolarHBondContact OH-N 3.32Å; Y134-K321 PolarHBondContact OH-O 3.09Å; D319-K321 PolarHBondContact O-N 3.21Å
322L80.4Confident85.2Confident78 Ų7885.9 Ų85.941%0.40843%0.432SS..  trans-83.5151.4-179.8-59178.5000112.3D130 Y134 V140 V320D130-L322 WeakPolarHBondContact OD1-CA 3.19Å; D130-L322 WeakPolarHBondContact OD2-CD2 3.33Å; Y134-L322 HydrophobicContact CE2-CD2 4.46Å; V140-L322 HydrophobicContact CG1-CD2 3.59Å; V140-L322 HydrophobicContact CG2-CD2 4.38Å; V320-L322 HydrophobicContact CG1-CD2 3.47Å; V320-L322 VanDerWaalsContact CG1-CD2 3.47Å; V320-L322 HydrophobicContact CG1-CG 3.9Å
323E76.3Confident84.1Confident92 Ų9292.8 Ų92.843%0.4347%0.466SS..  trans-81.70171.6-68.3-83.8154.100115.1R126 L129 D130 R133 K180R126-E323 HydrophobicContact CB-CB 4.29Å; R126-E323 PolarHBondContact NE-O 3.11Å; R126-E323 PolarHBondContact NE-OXT 3.23Å; R126-E323 VanDerWaalsContact NE-OXT 3.07Å; R126-E323 PolarHBondContact NH2-O 2.65Å; L129-E323 HydrophobicContact CB-CG 3.8Å; L129-E323 HydrophobicContact CD1-CG 3.96Å; D130-E323 PolarHBondContact OD1-N 3.46Å; R133-E323 IonicContact CZ-OE1 2.72Å; R133-E323 IonicContact NH1-OE1 2.7Å; R133-E323 IonicContact NH2-OE1 2.74Å; R133-E323 PolarHBondContact NH2-OE1 3.36Å; K180-E323 PolarHBondContact NZ-O 2.93Å

Retrieved 323 of 323 residues in 276.2 ms (Link to these results)

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