A0A3Q0KM63_SCHMA Loading...

arginine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KM63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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
1M96.7Very high90.4Very high24 Ų2427 Ų2712%0.11814%0.135CC..  0163.5059.6174.4-87.600108.2S3 S17 T18 E22 K37 L38 N39 I130 L133 V210M1-S3 PolarHBondContact O-N 3.03Å; M1-S3 PolarHBondContact O-OG 3.3Å; M1-S17 WeakPolarHBondContact CA-OG 3.29Å; M1-T18 HydrophobicContact CE-CG2 4.4Å; M1-T18 VanDerWaalsContact CE-O 3.31Å; M1-T18 WeakPolarHBondContact CE-O 3.48Å; M1-E22 HydrophobicContact CE-CB 4.03Å; M1-K37 HydrophobicContact SD-CD 4.38Å; M1-L38 PolarHBondContact N-O 3.11Å; M1-L38 VanDerWaalsContact N-O 3.13Å; M1-N39 PolarHBondContact O-OD1 3.49Å; M1-I130 HydrophobicContact CE-CG2 4.26Å; M1-L133 HydrophobicContact CE-CD1 4.49Å; M1-L133 HydrophobicContact CG-CD1 4.04Å; M1-L133 HydrophobicContact SD-CD1 4.33Å; M1-V210 HydrophobicContact CB-CB 4.27Å; M1-V210 HydrophobicContact CB-CG2 4.48Å
2S97.1Very high90.4Very high2 Ų225.9 Ų25.91%0.01413%0.131CC..  trans64.6-73.6-174.5-160.50000113M10 H14 S17 T18 Y125S2-M10 WeakPolarHBondContact OG-CE 3.48Å; S2-H14 PolarHBondContact O-CD2 2.91Å; S2-S17 PolarHBondContact N-OG 3.31Å; S2-T18 WeakPolarHBondContact CA-OG1 3.39Å; S2-T18 WeakPolarHBondContact CB-OG1 3.41Å; S2-T18 PolarHBondContact OG-OG1 3.07Å; S2-Y125 WeakPolarHBondContact CB-OH 3.33Å; S2-Y125 WeakPolarHBondContact OG-CE1 3.22Å; S2-Y125 PolarHBondContact OG-OH 2.9Å
3S96Very high90.3Very high34 Ų3425.5 Ų25.524%0.23814%0.137CC..  trans47.646.9168.2-69.30000115.2M1 N39 H40M1-S3 PolarHBondContact O-N 3.03Å; M1-S3 PolarHBondContact O-OG 3.3Å; S3-N39 WeakPolarHBondContact CA-OD1 3.24Å; S3-N39 PolarHBondContact N-OD1 3.11Å; S3-H40 WeakPolarHBondContact CA-O 3.26Å; S3-H40 WeakPolarHBondContact CB-O 3.44Å; S3-H40 WeakPolarHBondContact OG-CB 3.15Å; S3-H40 PolarHBondContact OG-N 3.23Å; S3-H40 PolarHBondContact OG-O 2.86Å; S3-H40 VanDerWaalsContact OG-O 3.07Å
4P94.6Very high90.6Very high0 Ų025.4 Ų25.40%014%0.135CC..PPolyproline II helixtrans-68.2155.517530.5-36.4000112.1M10 L41 G42 F121P4-M10 HydrophobicContact CB-CE 4.46Å; P4-M10 HydrophobicContact CB-CG 3.81Å; P4-M10 HydrophobicContact CG-CE 4.22Å; P4-M10 HydrophobicContact CG-CG 4.12Å; P4-M10 HydrophobicContact CG-SD 4.26Å; P4-L41 VanDerWaalsContact CD-CD2 3.48Å; P4-L41 HydrophobicContact CG-CD2 3.63Å; P4-L41 WeakPolarHBondContact O-CA 3.35Å; P4-L41 WeakPolarHBondContact O-CD2 3.38Å; P4-G42 PolarHBondContact O-N 2.98Å; P4-G42 VanDerWaalsContact O-N 3.11Å; P4-F121 HydrophobicContact CB-CE1 4.18Å; P4-F121 HydrophobicContact CB-CE2 4.05Å; P4-F121 HydrophobicContact CB-CZ 3.8Å; P4-F121 HydrophobicContact CG-CD1 4.34Å; P4-F121 HydrophobicContact CG-CD2 3.73Å; P4-F121 HydrophobicContact CG-CE1 4.17Å; P4-F121 HydrophobicContact CG-CE2 3.5Å; P4-F121 VanDerWaalsContact CG-CE2 3.5Å; P4-F121 HydrophobicContact CG-CG 4.14Å; P4-F121 HydrophobicContact CG-CZ 3.75Å
5N91.8Very high90.8Very high47 Ų4724.3 Ų24.325%0.25113%0.13SC..BIsolated β-bridgetrans-81.1132.4170-70.8-49000109.9K8N5-K8 HydrophobicContact CB-CB 4.37Å; N5-K8 HydrophobicContact CB-CD 4.11Å; N5-K8 PolarHBondContact O-N 3.04Å
6I90.9Very high91.1Very high1 Ų123 Ų231%0.00512%0.122CC..THydrogen-bonded Turntrans-62.1149.1173.8-64.9-71.4000109.9K8 L41 G42 D43 F48 I113 F121I6-K8 PolarHBondContact O-N 3.02Å; I6-K8 VanDerWaalsContact O-N 3.16Å; I6-L41 HydrophobicContact CD1-CD1 4.07Å; I6-G42 PolarHBondContact N-O 3.3Å; I6-D43 HydrophobicContact CG1-CB 3.61Å; I6-F48 HydrophobicContact CB-CE1 4.33Å; I6-F48 HydrophobicContact CB-CZ 3.66Å; I6-F48 HydrophobicContact CG1-CZ 4.37Å; I6-F48 HydrophobicContact CG2-CE1 3.64Å; I6-F48 HydrophobicContact CG2-CZ 3.5Å; I6-F48 VanDerWaalsContact CG2-CZ 3.5Å; I6-I113 HydrophobicContact CG2-CG2 4.2Å; I6-F121 HydrophobicContact CD1-CE2 3.82Å
7A84.1Confident91.5Very high1 Ų122 Ų221%0.00812%0.118CC..THydrogen-bonded Turntrans61.813.2-175.500000115.6L51 L71 Y75 I113 S117A7-L51 HydrophobicContact CB-CD1 3.36Å; A7-L51 HydrophobicContact CB-CD2 4.13Å; A7-L51 HydrophobicContact CB-CG 4.41Å; A7-L71 HydrophobicContact CB-CD2 4.01Å; A7-L71 HydrophobicContact CB-CG 4Å; A7-Y75 HydrophobicContact CB-CD2 4.34Å; A7-Y75 WeakPolarHBondContact O-CB 3.44Å; A7-I113 HydrophobicContact CB-CG2 4.36Å; A7-S117 PolarHBondContact N-OG 3.4Å
8K83.6Confident91.8Very high86 Ų8620.8 Ų20.837%0.37411%0.111SC..SBendtrans-123.8141.7166.6-64-178.9-175.8170.80108.4N5 I6N5-K8 HydrophobicContact CB-CB 4.37Å; N5-K8 HydrophobicContact CB-CD 4.11Å; N5-K8 PolarHBondContact O-N 3.04Å; I6-K8 PolarHBondContact O-N 3.02Å; I6-K8 VanDerWaalsContact O-N 3.16Å
9E82.2Confident92.1Very high27 Ų2719.9 Ų19.913%0.12611%0.107CC..  trans-61.7144.6173.3-74.6167.8169.700110.8Q72 R264E9-Q72 VanDerWaalsContact CD-NE2 3.33Å; E9-Q72 HydrophobicContact CG-CB 3.98Å; E9-Q72 VanDerWaalsContact OE2-CD 3.25Å; E9-Q72 PolarHBondContact OE2-NE2 3.14Å; E9-R264 WeakPolarHBondContact OE1-CD 3.28Å; E9-R264 IonicContact OE1-NH1 3.57Å; E9-R264 WeakPolarHBondContact OE2-CD 3.35Å; E9-R264 WeakPolarHBondContact OE2-CG 3.4Å
10M90Very high92.4Very high10 Ų1019.1 Ų19.15%0.04910%0.102CC..  trans-62.8140.5166.1-60.5-172.670.100109.4S2 P4 H14 F121 V124 Y125 L265S2-M10 WeakPolarHBondContact OG-CE 3.48Å; P4-M10 HydrophobicContact CB-CE 4.46Å; P4-M10 HydrophobicContact CB-CG 3.81Å; P4-M10 HydrophobicContact CG-CE 4.22Å; P4-M10 HydrophobicContact CG-CG 4.12Å; P4-M10 HydrophobicContact CG-SD 4.26Å; M10-H14 HydrophobicContact CE-CB 3.86Å; M10-F121 HydrophobicContact CG-CD1 3.5Å; M10-F121 HydrophobicContact CG-CE1 3.57Å; M10-F121 HydrophobicContact CG-CG 4.41Å; M10-F121 HydrophobicContact CG-CZ 4.49Å; M10-F121 HydrophobicContact SD-CB 4.25Å; M10-F121 HydrophobicContact SD-CD1 3.68Å; M10-F121 HydrophobicContact SD-CE1 4.34Å; M10-F121 HydrophobicContact SD-CG 4.12Å; M10-V124 HydrophobicContact SD-CB 4.23Å; M10-V124 HydrophobicContact SD-CG1 4.12Å; M10-V124 HydrophobicContact SD-CG2 4.44Å; M10-Y125 HydrophobicContact CE-CE1 4.05Å; M10-Y125 HydrophobicContact SD-CE1 4.49Å; M10-L265 HydrophobicContact CB-CB 4.35Å; M10-L265 HydrophobicContact CB-CD1 3.48Å; M10-L265 VanDerWaalsContact CB-CD1 3.48Å; M10-L265 HydrophobicContact CB-CG 3.86Å; M10-L265 HydrophobicContact CE-CD1 4.08Å; M10-L265 WeakPolarHBondContact O-CG 3.07Å; M10-L265 PolarHBondContact O-N 2.85Å; M10-L265 HydrophobicContact SD-CD1 4.45Å
11H87.8Confident92.7Very high65 Ų6518.2 Ų18.230%0.30110%0.097SC..  trans-125.2172.4178.659.751.8000110.5G13 H14 L15 T262 L265H11-G13 PolarHBondContact ND1-N 2.72Å; H11-G13 VanDerWaalsContact ND1-N 3.16Å; H11-G13 PolarHBondContact O-N 2.64Å; H11-H14 AromaticContact CD2-CE1 3.5Å; H11-H14 PolarHBondContact CD2-CE1 3.26Å; H11-H14 VanDerWaalsContact CD2-CE1 3.5Å; H11-H14 AromaticContact CD2-ND1 3.72Å; H11-H14 AromaticContact CE1-CD2 3.86Å; H11-H14 AromaticContact CE1-CE1 3.29Å; H11-H14 PolarHBondContact CE1-CE1 2.93Å; H11-H14 AromaticContact CE1-CG 3.78Å; H11-H14 AromaticContact CE1-ND1 3.45Å; H11-H14 PolarHBondContact CE1-ND1 3.31Å; H11-H14 AromaticContact CE1-NE2 3.53Å; H11-H14 AromaticContact CG-CE1 3.91Å; H11-H14 AromaticContact CG-ND1 3.66Å; H11-H14 PolarHBondContact N-ND1 3.4Å; H11-H14 AromaticContact ND1-CE1 3.79Å; H11-H14 AromaticContact ND1-CG 3.87Å; H11-H14 PolarHBondContact ND1-N 3Å; H11-H14 AromaticContact ND1-ND1 3.49Å; H11-H14 PolarHBondContact ND1-ND1 2.99Å; H11-H14 AromaticContact NE2-CE1 3.11Å; H11-H14 PolarHBondContact NE2-CE1 2.98Å; H11-H14 AromaticContact NE2-ND1 3.63Å; H11-H14 AromaticContact NE2-NE2 3.59Å; H11-H14 WeakPolarHBondContact O-CA 3.45Å; H11-H14 WeakPolarHBondContact O-CB 3.49Å; H11-H14 PolarHBondContact O-N 3.47Å; H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å; H11-T262 HydrophobicContact CB-CG2 3.34Å; H11-L265 VanDerWaalsContact C-CD2 3.47Å
12V90Very high92.8Very high14 Ų1417.4 Ų17.49%0.0859%0.094CC..Hα-helixtrans-55.6-28.8-175.6-65.20000115.3L15 R16 V247 F255 L265 L268V12-L15 WeakPolarHBondContact O-CB 3.33Å; V12-L15 PolarHBondContact O-N 3.02Å; V12-R16 PolarHBondContact O-N 3.22Å; V12-V247 HydrophobicContact CB-CB 4.08Å; V12-V247 HydrophobicContact CB-CG1 4.11Å; V12-V247 HydrophobicContact CB-CG2 3.94Å; V12-V247 HydrophobicContact CG2-CB 3.64Å; V12-V247 HydrophobicContact CG2-CG1 3.97Å; V12-V247 HydrophobicContact CG2-CG2 3.93Å; V12-F255 HydrophobicContact CG1-CD1 3.73Å; V12-F255 HydrophobicContact CG1-CE1 4.03Å; V12-F255 HydrophobicContact CG2-CB 4.4Å; V12-F255 HydrophobicContact CG2-CD1 4.16Å; V12-L265 HydrophobicContact CG1-CD2 4.13Å; V12-L268 HydrophobicContact CG1-CD1 3.77Å
13G89.4Confident92.9Very high21 Ų2117.4 Ų17.422%0.2169%0.093CC..Hα-helixtrans-63.1-41170.100000114H11 L15 R16 S17H11-G13 PolarHBondContact ND1-N 2.72Å; H11-G13 VanDerWaalsContact ND1-N 3.16Å; H11-G13 PolarHBondContact O-N 2.64Å; G13-L15 VanDerWaalsContact C-N 3.3Å; G13-R16 PolarHBondContact O-N 3.46Å; G13-S17 PolarHBondContact O-N 3.17Å
14H93.7Very high93Very high23 Ų2315.9 Ų15.911%0.1068%0.083CC..Hα-helixtrans-69-33174-56.1130.5000110.7S2 M10 H11 S17 T18S2-H14 PolarHBondContact O-CD2 2.91Å; M10-H14 HydrophobicContact CE-CB 3.86Å; H11-H14 AromaticContact CD2-CE1 3.5Å; H11-H14 PolarHBondContact CD2-CE1 3.26Å; H11-H14 VanDerWaalsContact CD2-CE1 3.5Å; H11-H14 AromaticContact CD2-ND1 3.72Å; H11-H14 AromaticContact CE1-CD2 3.86Å; H11-H14 AromaticContact CE1-CE1 3.29Å; H11-H14 PolarHBondContact CE1-CE1 2.93Å; H11-H14 AromaticContact CE1-CG 3.78Å; H11-H14 AromaticContact CE1-ND1 3.45Å; H11-H14 PolarHBondContact CE1-ND1 3.31Å; H11-H14 AromaticContact CE1-NE2 3.53Å; H11-H14 AromaticContact CG-CE1 3.91Å; H11-H14 AromaticContact CG-ND1 3.66Å; H11-H14 PolarHBondContact N-ND1 3.4Å; H11-H14 AromaticContact ND1-CE1 3.79Å; H11-H14 AromaticContact ND1-CG 3.87Å; H11-H14 PolarHBondContact ND1-N 3Å; H11-H14 AromaticContact ND1-ND1 3.49Å; H11-H14 PolarHBondContact ND1-ND1 2.99Å; H11-H14 AromaticContact NE2-CE1 3.11Å; H11-H14 PolarHBondContact NE2-CE1 2.98Å; H11-H14 AromaticContact NE2-ND1 3.63Å; H11-H14 AromaticContact NE2-NE2 3.59Å; H11-H14 WeakPolarHBondContact O-CA 3.45Å; H11-H14 WeakPolarHBondContact O-CB 3.49Å; H11-H14 PolarHBondContact O-N 3.47Å; H14-S17 PolarHBondContact O-N 3.42Å; H14-T18 WeakPolarHBondContact O-CB 3.48Å; H14-T18 PolarHBondContact O-N 2.87Å; H14-T18 PolarHBondContact O-OG1 3.29Å
15L93.5Very high93.2Very high10 Ų1016.5 Ų16.55%0.0529%0.087CC..Hα-helixtrans-59.9-49.5174.2-177.664.4000111.3H11 V12 G13 S17 T18 I19 L128 L265 L268 I306H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.33Å; V12-L15 PolarHBondContact O-N 3.02Å; G13-L15 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 3.47Å; L15-T18 WeakPolarHBondContact O-CB 3.36Å; L15-T18 PolarHBondContact O-N 3.45Å; L15-T18 VanDerWaalsContact O-N 3.09Å; L15-I19 HydrophobicContact CD1-CD1 3.68Å; L15-I19 HydrophobicContact CD1-CG1 4.09Å; L15-I19 HydrophobicContact CD2-CD1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.64Å; L15-I19 HydrophobicContact CG-CG1 4.38Å; L15-I19 WeakPolarHBondContact O-CG1 3.37Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-L128 HydrophobicContact CD1-CD1 3.49Å; L15-L128 VanDerWaalsContact CD1-CD1 3.49Å; L15-L128 HydrophobicContact CD1-CD2 4.32Å; L15-L265 HydrophobicContact CB-CD1 3.81Å; L15-L265 HydrophobicContact CB-CD2 3.7Å; L15-L265 HydrophobicContact CB-CG 4.42Å; L15-L265 HydrophobicContact CD1-CD1 4.33Å; L15-L265 HydrophobicContact CD2-CD2 4.02Å; L15-L265 HydrophobicContact CG-CD2 4.32Å; L15-L268 HydrophobicContact CD2-CD2 4.26Å; L15-I306 HydrophobicContact CD2-CG2 4.03Å
16R95.9Very high93.5Very high3 Ų317.4 Ų17.41%0.0119%0.087CC..Hα-helixtrans-56.4-50.3176.3-65.7-154.974.8-179.26.5111.8V12 G13 T18 I19 I20 F244 G245 V247 D310 I317V12-R16 PolarHBondContact O-N 3.22Å; G13-R16 PolarHBondContact O-N 3.46Å; R16-T18 PolarHBondContact O-N 3.39Å; R16-I19 PolarHBondContact O-N 3.02Å; R16-I20 HydrophobicContact CB-CD1 4.29Å; R16-I20 VanDerWaalsContact O-CB 3.31Å; R16-I20 WeakPolarHBondContact O-CB 3.37Å; R16-I20 VanDerWaalsContact O-CG1 3.28Å; R16-I20 WeakPolarHBondContact O-CG1 3.34Å; R16-I20 PolarHBondContact O-N 3.36Å; R16-F244 HydrophobicContact CB-CD2 3.86Å; R16-F244 HydrophobicContact CB-CE2 3.84Å; R16-F244 HydrophobicContact CB-CG 4.32Å; R16-F244 HydrophobicContact CB-CZ 4.28Å; R16-G245 PolarHBondContact NH1-O 2.73Å; R16-V247 HydrophobicContact CG-CG2 3.68Å; R16-D310 WeakPolarHBondContact CA-OD2 3.37Å; R16-D310 VanDerWaalsContact CG-OD2 3.3Å; R16-D310 WeakPolarHBondContact CG-OD2 3.28Å; R16-D310 IonicContact CZ-OD1 3.24Å; R16-D310 IonicContact NE-OD1 2.74Å; R16-D310 PolarHBondContact NE-OD1 2.89Å; R16-D310 IonicContact NE-OD2 3.25Å; R16-D310 PolarHBondContact NE-OD2 2.89Å; R16-D310 IonicContact NH2-OD1 3.28Å; R16-D310 PolarHBondContact NH2-OD1 2.77Å; R16-I317 PolarHBondContact NH1-O 3.16Å
17S97.6Very high93.9Very high6 Ų617.3 Ų17.34%0.0429%0.086CC..Hα-helixtrans-57.2-38.9177.1-178.80000112.2M1 S2 G13 H14 L15 G21 V210M1-S17 WeakPolarHBondContact CA-OG 3.29Å; S2-S17 PolarHBondContact N-OG 3.31Å; G13-S17 PolarHBondContact O-N 3.17Å; H14-S17 PolarHBondContact O-N 3.42Å; L15-S17 PolarHBondContact O-N 3.47Å; S17-G21 WeakPolarHBondContact O-CA 3.42Å; S17-G21 PolarHBondContact O-N 3.28Å; S17-V210 PolarHBondContact OG-O 3.34Å
18T97.8Very high94.5Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-67.9-49.5-179.9-55.30000111.3M1 S2 H14 L15 R16 E22 Y125 L128 I130M1-T18 HydrophobicContact CE-CG2 4.4Å; M1-T18 VanDerWaalsContact CE-O 3.31Å; M1-T18 WeakPolarHBondContact CE-O 3.48Å; S2-T18 WeakPolarHBondContact CA-OG1 3.39Å; S2-T18 WeakPolarHBondContact CB-OG1 3.41Å; S2-T18 PolarHBondContact OG-OG1 3.07Å; H14-T18 WeakPolarHBondContact O-CB 3.48Å; H14-T18 PolarHBondContact O-N 2.87Å; H14-T18 PolarHBondContact O-OG1 3.29Å; L15-T18 WeakPolarHBondContact O-CB 3.36Å; L15-T18 PolarHBondContact O-N 3.45Å; L15-T18 VanDerWaalsContact O-N 3.09Å; R16-T18 PolarHBondContact O-N 3.39Å; T18-E22 VanDerWaalsContact O-CB 3.26Å; T18-E22 WeakPolarHBondContact O-CB 3.44Å; T18-E22 PolarHBondContact O-N 3.36Å; T18-Y125 HydrophobicContact CG2-CD1 4.21Å; T18-Y125 HydrophobicContact CG2-CE1 4.12Å; T18-L128 HydrophobicContact CG2-CD1 4.32Å; T18-I130 HydrophobicContact CG2-CD1 3.84Å; T18-I130 HydrophobicContact CG2-CG1 3.75Å
19I97.6Very high95.2Very high5 Ų516.8 Ų16.83%0.0269%0.092CC..Hα-helixtrans-66.5-51.2-178.3-66168.3000111L15 R16 E22 S23 I306 K307 L311L15-I19 HydrophobicContact CD1-CD1 3.68Å; L15-I19 HydrophobicContact CD1-CG1 4.09Å; L15-I19 HydrophobicContact CD2-CD1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.64Å; L15-I19 HydrophobicContact CG-CG1 4.38Å; L15-I19 WeakPolarHBondContact O-CG1 3.37Å; L15-I19 PolarHBondContact O-N 3.43Å; R16-I19 PolarHBondContact O-N 3.02Å; I19-E22 PolarHBondContact O-N 2.96Å; I19-S23 WeakPolarHBondContact O-CB 3.38Å; I19-S23 PolarHBondContact O-N 2.93Å; I19-I306 HydrophobicContact CD1-CG2 4.18Å; I19-K307 HydrophobicContact CD1-CG 4.25Å; I19-K307 HydrophobicContact CG1-CG 4.12Å; I19-K307 HydrophobicContact CG2-CB 4.1Å; I19-K307 HydrophobicContact CG2-CG 4.08Å; I19-L311 HydrophobicContact CG2-CD1 3.9Å; I19-L311 HydrophobicContact CG2-CD2 3.99Å; I19-L311 HydrophobicContact CG2-CG 3.76Å
20I98.3Very high96Very high2 Ų221.1 Ų21.11%0.0111%0.111CC..Hα-helixtrans-62.6-46.7-179.5-64.8167.3000109.9R16 E22 S23 I24 V210 I242 F244 L311 R315 L397R16-I20 HydrophobicContact CB-CD1 4.29Å; R16-I20 VanDerWaalsContact O-CB 3.31Å; R16-I20 WeakPolarHBondContact O-CB 3.37Å; R16-I20 VanDerWaalsContact O-CG1 3.28Å; R16-I20 WeakPolarHBondContact O-CG1 3.34Å; R16-I20 PolarHBondContact O-N 3.36Å; I20-E22 PolarHBondContact O-N 3.36Å; I20-S23 PolarHBondContact O-N 3.49Å; I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.44Å; I20-V210 HydrophobicContact CB-CG1 4.09Å; I20-V210 HydrophobicContact CG2-CG1 3.87Å; I20-I242 HydrophobicContact CG2-CG2 4.3Å; I20-F244 HydrophobicContact CD1-CB 3.77Å; I20-F244 HydrophobicContact CD1-CD1 4.05Å; I20-F244 HydrophobicContact CD1-CG 4.02Å; I20-L311 HydrophobicContact CG1-CD2 4.02Å; I20-R315 HydrophobicContact CD1-CB 4.05Å; I20-L397 HydrophobicContact CG2-CD1 4.49Å
21G98.3Very high96.4Very high1 Ų123.1 Ų23.11%0.0112%0.121CC..Hα-helixtrans-64.2-39.4-179.100000113.1S17 S25S17-G21 WeakPolarHBondContact O-CA 3.42Å; S17-G21 PolarHBondContact O-N 3.28Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 3.41Å; G21-S25 PolarHBondContact O-OG 3.25Å
22E98.5Very high96.8Very high8 Ų823.2 Ų23.24%0.03714%0.14CC..Hα-helixtrans-66.5-45.2176.2-179.560-165.500111.4M1 T18 I19 I20 I24 S25 R26 K37 I130M1-E22 HydrophobicContact CE-CB 4.03Å; T18-E22 VanDerWaalsContact O-CB 3.26Å; T18-E22 WeakPolarHBondContact O-CB 3.44Å; T18-E22 PolarHBondContact O-N 3.36Å; I19-E22 PolarHBondContact O-N 2.96Å; I20-E22 PolarHBondContact O-N 3.36Å; E22-I24 PolarHBondContact O-N 3.34Å; E22-S25 WeakPolarHBondContact O-CB 3.46Å; E22-S25 PolarHBondContact O-N 3.3Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-R26 HydrophobicContact CG-CG 4.43Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.29Å; E22-R26 PolarHBondContact O-N 2.93Å; E22-R26 IonicContact OE1-CZ 3.06Å; E22-R26 IonicContact OE1-NE 2.93Å; E22-R26 PolarHBondContact OE1-NE 3.46Å; E22-R26 IonicContact OE1-NH2 3.05Å; E22-R26 PolarHBondContact OE1-NH2 3.32Å; E22-K37 VanDerWaalsContact CD-NZ 3.31Å; E22-K37 IonicContact OE1-NZ 3.72Å; E22-K37 PolarHBondContact OE1-NZ 3.3Å; E22-K37 VanDerWaalsContact OE2-CD 3.31Å; E22-K37 WeakPolarHBondContact OE2-CD 3.31Å; E22-K37 IonicContact OE2-NZ 2.64Å; E22-K37 PolarHBondContact OE2-NZ 3.02Å; E22-I130 HydrophobicContact CB-CD1 3.72Å; E22-I130 HydrophobicContact CG-CD1 3.65Å
23S98.6Very high97.2Very high1 Ų126.2 Ų26.21%0.00715%0.153CC..Hα-helixtrans-63.7-41.1-179.9-179.40000112.3I19 I20 S25 R26 L27 L397 I453I19-S23 WeakPolarHBondContact O-CB 3.38Å; I19-S23 PolarHBondContact O-N 2.93Å; I20-S23 PolarHBondContact O-N 3.49Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact O-N 3.43Å; S23-L27 WeakPolarHBondContact O-CB 3.46Å; S23-L27 PolarHBondContact O-N 3.35Å; S23-L397 WeakPolarHBondContact OG-CD1 3.37Å; S23-L397 WeakPolarHBondContact OG-CD2 3.44Å; S23-I453 WeakPolarHBondContact CA-O 3.42Å; S23-I453 PolarHBondContact OG-O 3.21Å; S23-I453 VanDerWaalsContact OG-O 3.1Å
24I98.6Very high97.6Very high3 Ų335.5 Ų35.52%0.01519%0.187CC..Hα-helixtrans-61.1-43.4171.4-69.8172.3000111.2I20 E22 R26 L27 L28 L208 I242 F395 L397I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.44Å; E22-I24 PolarHBondContact O-N 3.34Å; I24-R26 VanDerWaalsContact C-N 3.31Å; I24-R26 PolarHBondContact O-N 2.9Å; I24-L27 PolarHBondContact O-N 3.22Å; I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 HydrophobicContact CG2-CG 4.35Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.06Å; I24-L208 HydrophobicContact CG2-CD1 3.71Å; I24-I242 HydrophobicContact CD1-CG1 4.46Å; I24-I242 HydrophobicContact CD1-CG2 3.61Å; I24-F395 HydrophobicContact CB-CD1 4.47Å; I24-F395 HydrophobicContact CD1-CB 3.99Å; I24-F395 HydrophobicContact CD1-CD1 4.1Å; I24-F395 HydrophobicContact CD1-CG 4.23Å; I24-F395 HydrophobicContact CG1-CB 4.47Å; I24-F395 HydrophobicContact CG1-CD1 4Å; I24-F395 HydrophobicContact CG2-CD1 3.73Å; I24-F395 HydrophobicContact CG2-CE1 3.67Å; I24-L397 HydrophobicContact CG1-CD1 4.02Å
25S98.5Very high97.9Very high13 Ų1336.6 Ų36.69%0.09120%0.196CC..Hα-helixtrans-62.3-40.2179.1-61.50000111.8G21 E22 S23 S29G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 3.41Å; G21-S25 PolarHBondContact O-OG 3.25Å; E22-S25 WeakPolarHBondContact O-CB 3.46Å; E22-S25 PolarHBondContact O-N 3.3Å; E22-S25 VanDerWaalsContact O-N 3.12Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 PolarHBondContact O-N 2.95Å; S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.29Å; S25-S29 PolarHBondContact O-OG 3.37Å
26R98.5Very high98.1Very high65 Ų6539.6 Ų39.625%0.24521%0.211CC..Hα-helixtrans-67.8-43.6176.2-69.5175.5174.9-114.9-1.8111.9E22 S23 I24 S29 F30 G129 D452E22-R26 HydrophobicContact CG-CG 4.43Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.29Å; E22-R26 PolarHBondContact O-N 2.93Å; E22-R26 IonicContact OE1-CZ 3.06Å; E22-R26 IonicContact OE1-NE 2.93Å; E22-R26 PolarHBondContact OE1-NE 3.46Å; E22-R26 IonicContact OE1-NH2 3.05Å; E22-R26 PolarHBondContact OE1-NH2 3.32Å; S23-R26 PolarHBondContact O-N 3.43Å; I24-R26 VanDerWaalsContact C-N 3.31Å; I24-R26 PolarHBondContact O-N 2.9Å; R26-S29 PolarHBondContact O-N 3.43Å; R26-F30 VanDerWaalsContact O-CB 3.3Å; R26-F30 WeakPolarHBondContact O-CB 3.09Å; R26-F30 PolarHBondContact O-N 3.2Å; R26-G129 PolarHBondContact NH2-O 3.2Å; R26-D452 VanDerWaalsContact CD-O 3.23Å; R26-D452 WeakPolarHBondContact CD-O 3.49Å; R26-D452 PolarHBondContact NH1-O 2.92Å
27L98.6Very high98.2Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-56.3-52.7173.4173.865.3000111.4S23 I24 S29 F30 L31 L388 I391 I453S23-L27 WeakPolarHBondContact O-CB 3.46Å; S23-L27 PolarHBondContact O-N 3.35Å; I24-L27 PolarHBondContact O-N 3.22Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.07Å; L27-F30 WeakPolarHBondContact O-CB 3.44Å; L27-F30 PolarHBondContact O-N 2.88Å; L27-L31 HydrophobicContact CD1-CD1 3.86Å; L27-L31 HydrophobicContact CD1-CG 4.24Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 2.98Å; L27-L388 HydrophobicContact CD1-CB 4.12Å; L27-L388 HydrophobicContact CD1-CD2 3.88Å; L27-L388 HydrophobicContact CD1-CG 4.41Å; L27-I391 HydrophobicContact CD2-CB 3.95Å; L27-I391 HydrophobicContact CD2-CG2 3.4Å; L27-I391 VanDerWaalsContact CD2-CG2 3.4Å; L27-I453 HydrophobicContact CB-CG2 3.9Å; L27-I453 HydrophobicContact CD1-CD1 4.34Å; L27-I453 HydrophobicContact CD1-CG2 4.37Å
28L98.3Very high98.3Very high13 Ų1341.5 Ų41.57%0.06822%0.22CC..Hα-helixtrans-64.7-40.1-177.7-69.6177000111.6I24 F30 L31 G32 H33 V35 W206 L208 Q392 F395I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 HydrophobicContact CG2-CG 4.35Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.06Å; L28-F30 VanDerWaalsContact C-N 3.34Å; L28-F30 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 3.31Å; L28-G32 PolarHBondContact O-N 3.47Å; L28-H33 HydrophobicContact CB-CB 4.16Å; L28-H33 WeakPolarHBondContact O-CB 3.39Å; L28-H33 PolarHBondContact O-CD2 2.68Å; L28-H33 VanDerWaalsContact O-CD2 3.29Å; L28-H33 PolarHBondContact O-N 3.32Å; L28-V35 HydrophobicContact CB-CG2 3.67Å; L28-W206 HydrophobicContact CD2-CZ3 4.08Å; L28-L208 HydrophobicContact CD1-CD1 3.78Å; L28-Q392 HydrophobicContact CD2-CG 4.12Å; L28-F395 HydrophobicContact CD1-CE1 4.16Å; L28-F395 HydrophobicContact CD1-CZ 4.43Å; L28-F395 HydrophobicContact CD2-CE1 4.12Å; L28-F395 HydrophobicContact CD2-CZ 4.49Å; L28-F395 HydrophobicContact CG-CE1 4.28Å
29S98.2Very high98.3Very high62 Ų6241.7 Ų41.743%0.43422%0.221SC..Hα-helixtrans-62.6-42.2174.6-570000111.6S25 R26 L27 L31 G32 V35S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.29Å; S25-S29 PolarHBondContact O-OG 3.37Å; R26-S29 PolarHBondContact O-N 3.43Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.07Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.44Å; S29-G32 PolarHBondContact O-N 3.37Å; S29-V35 WeakPolarHBondContact OG-CG2 3.49Å
30F98.1Very high98.3Very high118 Ų11842.7 Ų42.752%0.51823%0.225SC..Hα-helixtrans-62.2-37.8176.6178.2-98.6000112.2R26 L27 L28 G32 L388 C449 I453R26-F30 VanDerWaalsContact O-CB 3.3Å; R26-F30 WeakPolarHBondContact O-CB 3.09Å; R26-F30 PolarHBondContact O-N 3.2Å; L27-F30 WeakPolarHBondContact O-CB 3.44Å; L27-F30 PolarHBondContact O-N 2.88Å; L28-F30 VanDerWaalsContact C-N 3.34Å; L28-F30 PolarHBondContact O-N 3.36Å; F30-G32 PolarHBondContact O-N 2.76Å; F30-L388 HydrophobicContact CD1-CD1 3.84Å; F30-L388 HydrophobicContact CE1-CD1 3.49Å; F30-L388 VanDerWaalsContact CE1-CD1 3.49Å; F30-C449 WeakPolarHBondContact CZ-SG 3.36Å; F30-I453 HydrophobicContact CD1-CD1 4.08Å; F30-I453 HydrophobicContact CG-CD1 4.31Å
31L97.9Very high98.2Very high52 Ų5242.6 Ų42.627%0.27223%0.225SC..THydrogen-bonded Turntrans-76.93.2175.4-65.1173.5000113.7L27 L28 S29 L388 Q392L27-L31 HydrophobicContact CD1-CD1 3.86Å; L27-L31 HydrophobicContact CD1-CG 4.24Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 2.98Å; L28-L31 PolarHBondContact O-N 3.31Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.44Å; L31-L388 HydrophobicContact CD2-CB 4.36Å; L31-Q392 HydrophobicContact CD1-CB 3.87Å; L31-Q392 HydrophobicContact CD1-CG 4.06Å
32G97.9Very high98Very high67 Ų6742.6 Ų42.669%0.69123%0.225SC*.THydrogen-bonded Turntrans91.89173.600000115.5L28 S29 F30L28-G32 PolarHBondContact O-N 3.47Å; S29-G32 PolarHBondContact O-N 3.37Å; F30-G32 PolarHBondContact O-N 2.76Å
33H97.9Very high97.8Very high77 Ų7742.4 Ų42.436%0.35622%0.224SC..  trans-75.3147174.6-63.2-85.6000111.4L28 V35 Q392L28-H33 HydrophobicContact CB-CB 4.16Å; L28-H33 WeakPolarHBondContact O-CB 3.39Å; L28-H33 PolarHBondContact O-CD2 2.68Å; L28-H33 VanDerWaalsContact O-CD2 3.29Å; L28-H33 PolarHBondContact O-N 3.32Å; H33-V35 HydrophobicContact CB-CG2 4.29Å; H33-V35 PolarHBondContact O-N 3.44Å; H33-Q392 PolarHBondContact NE2-NE2 3.35Å
34K98.2Very high97.4Very high216 Ų21643.8 Ų43.894%0.93923%0.23SC*.  trans-81.5105168.1-174.9-175.5177.1-170.50109.2
35V98.4Very high96.7Very high47 Ų4744.9 Ų44.929%0.28524%0.241SC..  trans-98.9126-175.6-176.60000111.3L28 S29 H33 K37L28-V35 HydrophobicContact CB-CG2 3.67Å; S29-V35 WeakPolarHBondContact OG-CG2 3.49Å; H33-V35 HydrophobicContact CB-CG2 4.29Å; H33-V35 PolarHBondContact O-N 3.44Å; V35-K37 HydrophobicContact CG1-CG 4.18Å
36L98.5Very high96.1Very high73 Ų7349 Ų4938%0.38227%0.266SS..  trans-106.2110.8169176.263.3000109.1L38 I134 E202L36-L38 HydrophobicContact CD1-CD2 4.12Å; L36-L38 HydrophobicContact CD2-CD1 4.45Å; L36-L38 HydrophobicContact CD2-CD2 4.06Å; L36-L38 HydrophobicContact CD2-CG 4.33Å; L36-L38 HydrophobicContact CG-CD2 3.87Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L36-I134 HydrophobicContact CD1-CD1 3.66Å; L36-I134 HydrophobicContact CD1-CG1 4.44Å; L36-E202 HydrophobicContact CD2-CG 4.09Å
37K98.5Very high95.6Very high26 Ų2647.3 Ų47.311%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-87.2117.7177.5-68.2-173.9-97.8-1750110.2M1 E22 V35 E131 L133 I134M1-K37 HydrophobicContact SD-CD 4.38Å; E22-K37 VanDerWaalsContact CD-NZ 3.31Å; E22-K37 IonicContact OE1-NZ 3.72Å; E22-K37 PolarHBondContact OE1-NZ 3.3Å; E22-K37 VanDerWaalsContact OE2-CD 3.31Å; E22-K37 WeakPolarHBondContact OE2-CD 3.31Å; E22-K37 IonicContact OE2-NZ 2.64Å; E22-K37 PolarHBondContact OE2-NZ 3.02Å; V35-K37 HydrophobicContact CG1-CG 4.18Å; K37-E131 WeakPolarHBondContact CE-O 3.43Å; K37-E131 PolarHBondContact NZ-O 3.35Å; K37-L133 HydrophobicContact CB-CD1 3.96Å; K37-I134 PolarHBondContact O-N 3.25Å
38L98.5Very high95.4Very high22 Ų2247.3 Ų47.312%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-110.6129.8178-61.8-177.2000111.9M1 L36 I134 R136 R198M1-L38 PolarHBondContact N-O 3.11Å; M1-L38 VanDerWaalsContact N-O 3.13Å; L36-L38 HydrophobicContact CD1-CD2 4.12Å; L36-L38 HydrophobicContact CD2-CD1 4.45Å; L36-L38 HydrophobicContact CD2-CD2 4.06Å; L36-L38 HydrophobicContact CD2-CG 4.33Å; L36-L38 HydrophobicContact CG-CD2 3.87Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L38-I134 WeakPolarHBondContact CA-O 3.35Å; L38-I134 HydrophobicContact CD2-CB 4.24Å; L38-R136 HydrophobicContact CD2-CB 4.5Å; L38-R136 HydrophobicContact CD2-CG 4.15Å; L38-R198 HydrophobicContact CD1-CG 4.18Å
39N97.8Very high95.2Very high5 Ų546.7 Ų46.73%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-96100.9167.2-156.82.5000109M1 S3 L41 Y125 L133 I134 R136M1-N39 PolarHBondContact O-OD1 3.49Å; S3-N39 WeakPolarHBondContact CA-OD1 3.24Å; S3-N39 PolarHBondContact N-OD1 3.11Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 HydrophobicContact CB-CD2 4.46Å; N39-L41 VanDerWaalsContact CG-CD2 3.47Å; N39-L41 WeakPolarHBondContact ND2-CD2 3.41Å; N39-L41 PolarHBondContact O-N 3.36Å; N39-L41 VanDerWaalsContact O-N 3.12Å; N39-L41 WeakPolarHBondContact OD1-CD2 3.28Å; N39-Y125 PolarHBondContact ND2-OH 3.13Å; N39-L133 HydrophobicContact CB-CD1 3.88Å; N39-L133 HydrophobicContact CB-CD2 4.02Å; N39-L133 HydrophobicContact CB-CG 3.81Å; N39-I134 PolarHBondContact N-O 2.72Å; N39-R136 CarbonylContact O-C 3.57Å; N39-R136 PolarHBondContact O-N 3.44Å
40H97.5Very high95Very high25 Ų2544.2 Ų44.212%0.11624%0.239CC..  trans-87.178.7-179.5-164.956.9000109.1S3 R136 Y141 D191S3-H40 WeakPolarHBondContact CA-O 3.26Å; S3-H40 WeakPolarHBondContact CB-O 3.44Å; S3-H40 WeakPolarHBondContact OG-CB 3.15Å; S3-H40 PolarHBondContact OG-N 3.23Å; S3-H40 PolarHBondContact OG-O 2.86Å; S3-H40 VanDerWaalsContact OG-O 3.07Å; H40-R136 WeakPolarHBondContact CA-O 3.41Å; H40-R136 PolarHBondContact ND1-O 3Å; H40-Y141 AromaticContact CE1-CD2 3.83Å; H40-Y141 AromaticContact CE1-CE2 3.36Å; H40-Y141 WeakPolarHBondContact CE1-CE2 3.46Å; H40-Y141 AromaticContact ND1-CE2 3.56Å; H40-D191 IonicContact NE2-OD1 3Å
41L95.9Very high94.9Very high0 Ų038.6 Ų38.60%022%0.215CC..  trans-68.8141.2-177.7-61.6-172.6000111.9P4 I6 N39 D43 F121 E135 G137 E138P4-L41 VanDerWaalsContact CD-CD2 3.48Å; P4-L41 HydrophobicContact CG-CD2 3.63Å; P4-L41 WeakPolarHBondContact O-CA 3.35Å; P4-L41 WeakPolarHBondContact O-CD2 3.38Å; I6-L41 HydrophobicContact CD1-CD1 4.07Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 HydrophobicContact CB-CD2 4.46Å; N39-L41 VanDerWaalsContact CG-CD2 3.47Å; N39-L41 WeakPolarHBondContact ND2-CD2 3.41Å; N39-L41 PolarHBondContact O-N 3.36Å; N39-L41 VanDerWaalsContact O-N 3.12Å; N39-L41 WeakPolarHBondContact OD1-CD2 3.28Å; L41-D43 HydrophobicContact CB-CB 4.19Å; L41-D43 PolarHBondContact O-N 3.36Å; L41-F121 HydrophobicContact CD2-CD2 4.41Å; L41-F121 HydrophobicContact CD2-CE2 4.31Å; L41-E135 HydrophobicContact CD1-CG 3.53Å; L41-E135 WeakPolarHBondContact CD1-OE2 3.36Å; L41-E135 HydrophobicContact CG-CG 4.1Å; L41-G137 CarbonylContact O-C 3.46Å; L41-G137 WeakPolarHBondContact O-CA 3.22Å; L41-E138 PolarHBondContact O-N 3.48Å
42G94.1Very high94.8Very high2 Ų236.1 Ų36.12%0.02120%0.202CC..BIsolated β-bridgetrans-77.267.3165.700000110.2P4 I6P4-G42 PolarHBondContact O-N 2.98Å; P4-G42 VanDerWaalsContact O-N 3.11Å; I6-G42 PolarHBondContact N-O 3.3Å
43D94.3Very high94.7Very high3 Ų333.2 Ų33.22%0.01617%0.172CC..  trans-100.88.6-176.672.4-19.8000113.2I6 L41 F48 W110 G137 E138 S139I6-D43 HydrophobicContact CG1-CB 3.61Å; L41-D43 HydrophobicContact CB-CB 4.19Å; L41-D43 PolarHBondContact O-N 3.36Å; D43-F48 WeakPolarHBondContact O-CE2 3.45Å; D43-F48 WeakPolarHBondContact O-CZ 3.41Å; D43-W110 HydrophobicContact CB-CZ2 4.4Å; D43-W110 PolarHBondContact O-NE1 3.14Å; D43-G137 VanDerWaalsContact OD1-C 3.26Å; D43-G137 WeakPolarHBondContact OD1-CA 3.45Å; D43-E138 PolarHBondContact OD1-N 2.85Å; D43-S139 VanDerWaalsContact CG-OG 3.28Å; D43-S139 WeakPolarHBondContact OD1-CB 3.38Å; D43-S139 PolarHBondContact OD1-N 3.24Å; D43-S139 PolarHBondContact OD1-OG 2.88Å; D43-S139 VanDerWaalsContact OD2-CB 3.31Å; D43-S139 WeakPolarHBondContact OD2-CB 3.48Å; D43-S139 PolarHBondContact OD2-OG 3.11Å
44W90.9Very high94.6Very high31 Ų3129.8 Ų29.812%0.11716%0.156CC..  trans-133.2149.5173.9-155.4-112.5000110.2Q47 L99 Q100 W110 E138 Q142W44-Q47 PolarHBondContact O-NE2 2.92Å; W44-L99 HydrophobicContact CE3-CD2 4.44Å; W44-L99 HydrophobicContact CH2-CD1 4.13Å; W44-L99 HydrophobicContact CH2-CD2 4.16Å; W44-L99 HydrophobicContact CH2-CG 3.66Å; W44-L99 HydrophobicContact CZ2-CG 4.42Å; W44-L99 HydrophobicContact CZ3-CD1 4.09Å; W44-L99 HydrophobicContact CZ3-CD2 3.96Å; W44-L99 HydrophobicContact CZ3-CG 3.85Å; W44-Q100 HydrophobicContact CZ2-CG 4.13Å; W44-W110 HydrophobicContact CE3-CZ2 4.36Å; W44-E138 HydrophobicContact CB-CB 3.78Å; W44-Q142 HydrophobicContact CZ2-CG 3.96Å
45G84.7Confident94.4Very high25 Ų2519.5 Ų19.526%0.25811%0.111SC..SBendtrans143.4173178.100000114.7Q47 F48G45-Q47 VanDerWaalsContact C-OE1 3.31Å; G45-Q47 PolarHBondContact O-N 3.01Å; G45-F48 PolarHBondContact O-N 3.47Å
46T84.7Confident94.1Very high101 Ų10119.5 Ų19.562%0.6211%0.107SC*.THydrogen-bonded Turntrans-67.2-24.5-174.354.70000113F48 G49 V96T46-F48 PolarHBondContact O-N 3.2Å; T46-G49 PolarHBondContact O-N 3.24Å; T46-V96 WeakPolarHBondContact O-CG2 3.26Å
47Q88.7Confident93.8Very high29 Ų2919.9 Ų19.914%0.13611%0.107CC..Hα-helixtrans-58.5-27175.367.9-81.19.100113.2W44 G45 G49 M50 L51 Y75W44-Q47 PolarHBondContact O-NE2 2.92Å; G45-Q47 VanDerWaalsContact C-OE1 3.31Å; G45-Q47 PolarHBondContact O-N 3.01Å; Q47-G49 VanDerWaalsContact C-N 3.25Å; Q47-G49 PolarHBondContact O-N 2.89Å; Q47-M50 HydrophobicContact CB-CE 3.91Å; Q47-M50 WeakPolarHBondContact O-CG 3.39Å; Q47-M50 PolarHBondContact O-N 3.36Å; Q47-L51 WeakPolarHBondContact O-CG 3.31Å; Q47-L51 PolarHBondContact O-N 3.44Å; Q47-Y75 HydrophobicContact CB-CE2 4.25Å
48F93.9Very high93.5Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-69.6-24.7177.6-76-80.5000113.1I6 D43 G45 T46 L51 I52 L99 W110 I113I6-F48 HydrophobicContact CB-CE1 4.33Å; I6-F48 HydrophobicContact CB-CZ 3.66Å; I6-F48 HydrophobicContact CG1-CZ 4.37Å; I6-F48 HydrophobicContact CG2-CE1 3.64Å; I6-F48 HydrophobicContact CG2-CZ 3.5Å; I6-F48 VanDerWaalsContact CG2-CZ 3.5Å; D43-F48 WeakPolarHBondContact O-CE2 3.45Å; D43-F48 WeakPolarHBondContact O-CZ 3.41Å; G45-F48 PolarHBondContact O-N 3.47Å; T46-F48 PolarHBondContact O-N 3.2Å; F48-L51 HydrophobicContact CD1-CD1 4.19Å; F48-L51 PolarHBondContact O-N 2.94Å; F48-I52 HydrophobicContact CB-CD1 4.36Å; F48-I52 WeakPolarHBondContact O-CB 3.45Å; F48-I52 WeakPolarHBondContact O-CD1 3.49Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; F48-I52 PolarHBondContact O-N 2.83Å; F48-L99 HydrophobicContact CB-CD2 3.97Å; F48-W110 AromaticContact CD1-CD1 3.41Å; F48-W110 VanDerWaalsContact CD1-CD1 3.41Å; F48-W110 AromaticContact CD1-NE1 3.98Å; F48-W110 AromaticContact CE1-CD1 3.51Å; F48-W110 AromaticContact CE1-NE1 3.68Å; F48-W110 AromaticContact CG-CD1 3.83Å; F48-W110 AromaticContact CZ-NE1 3.76Å; F48-I113 HydrophobicContact CD1-CG2 4.39Å; F48-I113 HydrophobicContact CE1-CG2 4.02Å
49G94.1Very high93.1Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-59.2-49.9175.100000112.3T46 Q47 A53 A92 V96T46-G49 PolarHBondContact O-N 3.24Å; Q47-G49 VanDerWaalsContact C-N 3.25Å; Q47-G49 PolarHBondContact O-N 2.89Å; G49-A53 VanDerWaalsContact O-CB 3.26Å; G49-A53 WeakPolarHBondContact O-CB 3.42Å; G49-A53 PolarHBondContact O-N 2.94Å; G49-A92 VanDerWaalsContact CA-O 3.27Å; G49-A92 WeakPolarHBondContact CA-O 3.38Å; G49-V96 VanDerWaalsContact CA-CG2 3.47Å
50M95Very high92.6Very high9 Ų928.8 Ų28.84%0.04416%0.155CC..Hα-helixtrans-66.8-38.5177.760.5176.7-170.600111.8Q47 H54 Y75 K79 Y82 F88 A92Q47-M50 HydrophobicContact CB-CE 3.91Å; Q47-M50 WeakPolarHBondContact O-CG 3.39Å; Q47-M50 PolarHBondContact O-N 3.36Å; M50-H54 VanDerWaalsContact O-CB 3.24Å; M50-H54 WeakPolarHBondContact O-CB 3.47Å; M50-H54 PolarHBondContact O-N 2.7Å; M50-Y75 HydrophobicContact CE-CD2 3.61Å; M50-Y75 HydrophobicContact CE-CE1 4.29Å; M50-Y75 HydrophobicContact CE-CE2 3.08Å; M50-Y75 HydrophobicContact CE-CG 4.39Å; M50-Y75 VanDerWaalsContact CE-CZ 3.47Å; M50-K79 HydrophobicContact CE-CB 4.36Å; M50-K79 HydrophobicContact CE-CD 4.47Å; M50-K79 HydrophobicContact SD-CB 4.1Å; M50-K79 HydrophobicContact SD-CD 3.98Å; M50-Y82 HydrophobicContact CB-CD2 4.08Å; M50-Y82 HydrophobicContact CB-CG 4.48Å; M50-F88 HydrophobicContact CB-CE1 4.06Å; M50-F88 HydrophobicContact CB-CZ 4.47Å; M50-F88 WeakPolarHBondContact O-CZ 3.23Å; M50-A92 HydrophobicContact CB-CB 4.14Å
51L95.6Very high91.8Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-65-45.1178.6-66.8165.2000111.7A7 Q47 F48 H54 L55 F74 Y75 I113A7-L51 HydrophobicContact CB-CD1 3.36Å; A7-L51 HydrophobicContact CB-CD2 4.13Å; A7-L51 HydrophobicContact CB-CG 4.41Å; Q47-L51 WeakPolarHBondContact O-CG 3.31Å; Q47-L51 PolarHBondContact O-N 3.44Å; F48-L51 HydrophobicContact CD1-CD1 4.19Å; F48-L51 PolarHBondContact O-N 2.94Å; L51-H54 PolarHBondContact O-N 2.92Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 PolarHBondContact O-N 3.14Å; L51-F74 HydrophobicContact CB-CE1 4.44Å; L51-F74 HydrophobicContact CD2-CD1 3.68Å; L51-F74 HydrophobicContact CD2-CE1 3.92Å; L51-Y75 HydrophobicContact CD1-CD2 4.44Å; L51-Y75 HydrophobicContact CD2-CD2 4.19Å; L51-I113 HydrophobicContact CB-CD1 3.78Å; L51-I113 HydrophobicContact CD1-CG2 4.26Å
52I95.8Very high91Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-67.6-43.7178.4-66.4164000110.8F48 H54 L55 K56 A95 L99 Y106 A109 W110 I113F48-I52 HydrophobicContact CB-CD1 4.36Å; F48-I52 WeakPolarHBondContact O-CB 3.45Å; F48-I52 WeakPolarHBondContact O-CD1 3.49Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; F48-I52 PolarHBondContact O-N 2.83Å; I52-H54 VanDerWaalsContact C-N 3.28Å; I52-H54 PolarHBondContact O-N 3.21Å; I52-L55 PolarHBondContact O-N 3.22Å; I52-K56 HydrophobicContact CG2-CD 4.02Å; I52-K56 HydrophobicContact CG2-CG 4.4Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 2.96Å; I52-A95 HydrophobicContact CB-CB 4.29Å; I52-A95 HydrophobicContact CG2-CB 4.24Å; I52-L99 HydrophobicContact CD1-CB 4.38Å; I52-L99 HydrophobicContact CD1-CD1 4.42Å; I52-L99 HydrophobicContact CD1-CD2 3.91Å; I52-L99 HydrophobicContact CD1-CG 4.47Å; I52-Y106 HydrophobicContact CG2-CD1 3.66Å; I52-Y106 HydrophobicContact CG2-CE1 4.14Å; I52-A109 HydrophobicContact CG1-CB 4.18Å; I52-A109 HydrophobicContact CG2-CB 3.86Å; I52-W110 HydrophobicContact CD1-CB 4.11Å; I52-I113 HydrophobicContact CG1-CD1 3.87Å
53A95.8Very high90.2Very high7 Ų743 Ų436%0.05822%0.222CC..Hα-helixtrans-60.5-40.3176.500000111.6G49 E57 F88 R91 A92G49-A53 VanDerWaalsContact O-CB 3.26Å; G49-A53 WeakPolarHBondContact O-CB 3.42Å; G49-A53 PolarHBondContact O-N 2.94Å; A53-E57 PolarHBondContact O-N 3.2Å; A53-F88 HydrophobicContact CB-CE2 3.93Å; A53-F88 HydrophobicContact CB-CZ 4.01Å; A53-R91 HydrophobicContact CB-CB 4.41Å; A53-A92 HydrophobicContact CB-CB 4.31Å
54H95.6Very high89.2Confident5 Ų548 Ų482%0.02325%0.253CS..Hα-helixtrans-66.1-45.1175.2-161.349.1000112.1M50 L51 I52 K56 E57 I58 F74 T77 R81 F88M50-H54 VanDerWaalsContact O-CB 3.24Å; M50-H54 WeakPolarHBondContact O-CB 3.47Å; M50-H54 PolarHBondContact O-N 2.7Å; L51-H54 PolarHBondContact O-N 2.92Å; I52-H54 VanDerWaalsContact C-N 3.28Å; I52-H54 PolarHBondContact O-N 3.21Å; H54-K56 PolarHBondContact O-N 3.43Å; H54-E57 PolarHBondContact O-N 3.24Å; H54-I58 WeakPolarHBondContact CE1-CD1 3.44Å; H54-I58 WeakPolarHBondContact NE2-CD1 3.2Å; H54-I58 PolarHBondContact O-N 3.06Å; H54-I58 VanDerWaalsContact O-N 3.12Å; H54-F74 HydrophobicContact CB-CE1 4.19Å; H54-F74 HydrophobicContact CB-CZ 3.95Å; H54-F74 AromaticContact CD2-CD2 3.81Å; H54-F74 AromaticContact CD2-CE1 3.84Å; H54-F74 AromaticContact CD2-CE2 3.45Å; H54-F74 VanDerWaalsContact CD2-CE2 3.45Å; H54-F74 WeakPolarHBondContact CD2-CE2 3.28Å; H54-F74 AromaticContact CD2-CZ 3.47Å; H54-F74 VanDerWaalsContact CD2-CZ 3.47Å; H54-F74 WeakPolarHBondContact CD2-CZ 3.49Å; H54-T77 WeakPolarHBondContact NE2-CG2 3.39Å; H54-R81 PolarHBondContact ND1-NH1 2.93Å; H54-F88 HydrophobicContact CB-CE2 4.15Å; H54-F88 HydrophobicContact CB-CZ 3.91Å
55L94.5Very high88.5Confident0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-59.5-47.1-179.1177.567.4000111.4L51 I52 E57 I58 Y59 P66 I68 F74 A109 I113L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 PolarHBondContact O-N 3.14Å; I52-L55 PolarHBondContact O-N 3.22Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.23Å; L55-I58 PolarHBondContact O-N 2.64Å; L55-Y59 HydrophobicContact CD1-CD2 3.82Å; L55-Y59 CarbonylContact O-C 3.58Å; L55-Y59 WeakPolarHBondContact O-CA 3.46Å; L55-Y59 PolarHBondContact O-N 3.28Å; L55-P66 HydrophobicContact CD1-CB 3.87Å; L55-P66 HydrophobicContact CD1-CG 3.62Å; L55-I68 HydrophobicContact CD1-CD1 3.93Å; L55-F74 HydrophobicContact CB-CZ 3.94Å; L55-F74 HydrophobicContact CD1-CZ 4.4Å; L55-A109 HydrophobicContact CD2-CB 3.9Å; L55-I113 HydrophobicContact CD2-CD1 4.16Å; L55-I113 HydrophobicContact CD2-CG1 4.16Å
56K92.8Very high88.3Confident46 Ų4649.4 Ų49.420%0.227%0.268CS..Hα-helixtrans-64.8-27.1-179.2-71176.672.295.20113.5I52 H54 P60 E105 Y106I52-K56 HydrophobicContact CG2-CD 4.02Å; I52-K56 HydrophobicContact CG2-CG 4.4Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 2.96Å; H54-K56 PolarHBondContact O-N 3.43Å; K56-P60 VanDerWaalsContact O-CA 3.29Å; K56-P60 WeakPolarHBondContact O-CA 3.39Å; K56-E105 IonicContact NZ-OE1 3.09Å; K56-E105 PolarHBondContact NZ-OE1 3.11Å; K56-E105 IonicContact NZ-OE2 3.85Å; K56-E105 PolarHBondContact NZ-OE2 3.27Å; K56-Y106 HydrophobicContact CD-CE1 4.28Å
57E92.1Very high88.3Confident81 Ų8149.4 Ų49.438%0.37927%0.27SS..Hα-helixtrans-80.7-43.3176.1-84.9-179.5143.300113A53 H54 L55 R81 F88 R91A53-E57 PolarHBondContact O-N 3.2Å; H54-E57 PolarHBondContact O-N 3.24Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.23Å; E57-R81 IonicContact OE1-NH2 3.17Å; E57-R81 PolarHBondContact OE1-NH2 2.9Å; E57-R81 IonicContact OE2-CZ 3.44Å; E57-R81 IonicContact OE2-NH1 2.65Å; E57-R81 PolarHBondContact OE2-NH1 2.56Å; E57-R81 IonicContact OE2-NH2 2.79Å; E57-R81 PolarHBondContact OE2-NH2 3.45Å; E57-F88 WeakPolarHBondContact OE2-CD2 3.38Å; E57-R91 IonicContact OE1-CZ 2.85Å; E57-R91 IonicContact OE1-NH1 3.24Å; E57-R91 PolarHBondContact OE1-NH1 3.41Å; E57-R91 IonicContact OE1-NH2 3.98Å; E57-R91 PolarHBondContact OE1-NH2 3.14Å; E57-R91 IonicContact OE2-CZ 3.4Å; E57-R91 IonicContact OE2-NH1 2.64Å; E57-R91 PolarHBondContact OE2-NH1 3.36Å; E57-R91 IonicContact OE2-NH2 3.83Å; E57-R91 PolarHBondContact OE2-NH2 3.47Å
58I91.6Very high88Confident81 Ų8149 Ų4942%0.41527%0.268SS..Hα-helixtrans-75.9-35.4-178.6-61.2-178.7000110.7H54 L55 F74H54-I58 WeakPolarHBondContact CE1-CD1 3.44Å; H54-I58 WeakPolarHBondContact NE2-CD1 3.2Å; H54-I58 PolarHBondContact O-N 3.06Å; H54-I58 VanDerWaalsContact O-N 3.12Å; L55-I58 PolarHBondContact O-N 2.64Å; I58-F74 HydrophobicContact CD1-CE2 4.25Å
59Y90.9Very high87.2Confident71 Ų7154.6 Ų54.628%0.27831%0.307SS..  trans-127.574.8-179.6-55.8-75.6000110.1L55 D61 H62 P66 P67 I68L55-Y59 HydrophobicContact CD1-CD2 3.82Å; L55-Y59 CarbonylContact O-C 3.58Å; L55-Y59 WeakPolarHBondContact O-CA 3.46Å; L55-Y59 PolarHBondContact O-N 3.28Å; Y59-D61 PolarHBondContact O-N 3.43Å; Y59-H62 VanDerWaalsContact O-CB 3.28Å; Y59-H62 WeakPolarHBondContact O-CB 3.36Å; Y59-H62 PolarHBondContact O-N 2.95Å; Y59-H62 VanDerWaalsContact O-N 3.13Å; Y59-H62 PolarHBondContact O-ND1 3.1Å; Y59-P66 HydrophobicContact CD1-CB 4.4Å; Y59-P66 HydrophobicContact CD2-CB 3.8Å; Y59-P66 HydrophobicContact CE2-CB 4.06Å; Y59-P66 HydrophobicContact CG-CB 3.96Å; Y59-P67 HydrophobicContact CE1-CG 3.9Å; Y59-I68 HydrophobicContact CE2-CG1 4.11Å
60P85.3Confident86.7Confident89 Ų8957.1 Ų57.158%0.57832%0.321SS*.THydrogen-bonded Turntrans-56.3-38.7179-23.333.3000112.2K56 H62K56-P60 VanDerWaalsContact O-CA 3.29Å; K56-P60 WeakPolarHBondContact O-CA 3.39Å; P60-H62 VanDerWaalsContact C-N 3.34Å; P60-H62 PolarHBondContact O-N 3.14Å; P60-H62 PolarHBondContact O-ND1 3.05Å
61D82.4Confident86.2Confident133 Ų13356.8 Ų56.871%0.71132%0.319SS*.THydrogen-bonded Turntrans-92.337178.2-69.2-41.9000113.5Y59 K63Y59-D61 PolarHBondContact O-N 3.43Å; D61-K63 PolarHBondContact O-N 3.38Å
62H79Confident85.7Confident12 Ų1258.7 Ų58.76%0.05633%0.328CS..THydrogen-bonded Turntrans-62.529.9177.864-72.5000115.1Y59 P60 T64 H108 Q112Y59-H62 VanDerWaalsContact O-CB 3.28Å; Y59-H62 WeakPolarHBondContact O-CB 3.36Å; Y59-H62 PolarHBondContact O-N 2.95Å; Y59-H62 VanDerWaalsContact O-N 3.13Å; Y59-H62 PolarHBondContact O-ND1 3.1Å; P60-H62 VanDerWaalsContact C-N 3.34Å; P60-H62 PolarHBondContact O-N 3.14Å; P60-H62 PolarHBondContact O-ND1 3.05Å; H62-T64 CarbonylContact C-O 3.6Å; H62-T64 PolarHBondContact O-N 3.11Å; H62-H108 PolarHBondContact O-NE2 2.87Å; H62-Q112 PolarHBondContact CD2-OE1 3.43Å; H62-Q112 PolarHBondContact O-NE2 2.81Å; H62-Q112 PolarHBondContact O-OE1 3.34Å
63K76.5Confident85.3Confident180 Ų18060.6 Ų60.678%0.78334%0.344SS*.THydrogen-bonded Turntrans-62.3-28.4168.2-62.7-175.6-178.2176.60112.1D61D61-K63 PolarHBondContact O-N 3.38Å
64T74.3Confident85.1Confident107 Ų10761.1 Ų61.166%0.65635%0.345SS*.SBendtrans-105.4152170.853.90000110.1H62 Q112H62-T64 CarbonylContact C-O 3.6Å; H62-T64 PolarHBondContact O-N 3.11Å; T64-Q112 PolarHBondContact O-NE2 2.93Å
65A76.2Confident84.8Confident75 Ų7563 Ų6362%0.6235%0.352SS*.  trans-52.5122.1179.700000110.7
66P79.6Confident84.6Confident11 Ų1167.4 Ų67.47%0.07137%0.372CS..  trans-68.6144.4-176.630.8-38000110L55 Y59 I68 I116L55-P66 HydrophobicContact CD1-CB 3.87Å; L55-P66 HydrophobicContact CD1-CG 3.62Å; Y59-P66 HydrophobicContact CD1-CB 4.4Å; Y59-P66 HydrophobicContact CD2-CB 3.8Å; Y59-P66 HydrophobicContact CE2-CB 4.06Å; Y59-P66 HydrophobicContact CG-CB 3.96Å; P66-I68 HydrophobicContact CB-CD1 4.2Å; P66-I68 HydrophobicContact CB-CG1 4.07Å; P66-I68 HydrophobicContact CG-CD1 3.82Å; P66-I68 HydrophobicContact CG-CG1 4.1Å; P66-I68 PolarHBondContact O-N 3.2Å; P66-I116 HydrophobicContact CG-CD1 4.16Å
67P84.6Confident84.7Confident102 Ų10268.5 Ų68.566%0.66238%0.382SS*.  trans-78.157.9-179.834.2-36.9000111.5Y59 S69Y59-P67 HydrophobicContact CE1-CG 3.9Å; P67-S69 PolarHBondContact O-N 3.29Å
68I82.2Confident84.8Confident20 Ų2064.6 Ų64.610%0.10336%0.364CS..  trans-83.4110.4175.2-58.3173.3000107.6L55 Y59 P66 L71 F74 I116L55-I68 HydrophobicContact CD1-CD1 3.93Å; Y59-I68 HydrophobicContact CE2-CG1 4.11Å; P66-I68 HydrophobicContact CB-CD1 4.2Å; P66-I68 HydrophobicContact CB-CG1 4.07Å; P66-I68 HydrophobicContact CG-CD1 3.82Å; P66-I68 HydrophobicContact CG-CG1 4.1Å; P66-I68 PolarHBondContact O-N 3.2Å; I68-L71 HydrophobicContact CG2-CD1 4.01Å; I68-F74 HydrophobicContact CD1-CD2 3.91Å; I68-F74 HydrophobicContact CD1-CE1 4.42Å; I68-F74 HydrophobicContact CD1-CE2 3.78Å; I68-F74 HydrophobicContact CD1-CG 4.29Å; I68-F74 HydrophobicContact CD1-CZ 4.05Å; I68-F74 HydrophobicContact CG1-CD2 4.25Å; I68-F74 HydrophobicContact CG1-CE2 4.37Å; I68-F74 HydrophobicContact CG2-CB 4.08Å; I68-F74 HydrophobicContact CG2-CD2 4.32Å; I68-F74 HydrophobicContact CG2-CG 4.29Å; I68-I116 HydrophobicContact CB-CD1 3.88Å; I68-I116 HydrophobicContact CD1-CD1 3.9Å; I68-I116 HydrophobicContact CG1-CD1 4.25Å
69S77.8Confident84.9Confident117 Ų11764.1 Ų64.182%0.81836%0.359SS*.SBendtrans-90.9-26-179.560.30000114P67P67-S69 PolarHBondContact O-N 3.29Å
70D83.7Confident85.1Confident54 Ų5464 Ų6429%0.28937%0.366SS..  trans-134.9101.2179.8-178.9-19.5000108.6Q72 A73 F74D70-Q72 VanDerWaalsContact C-N 3.3Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.26Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.27Å; D70-Q72 PolarHBondContact OD1-N 2.8Å; D70-A73 HydrophobicContact CB-CB 3.99Å; D70-A73 PolarHBondContact OD1-N 3.24Å; D70-F74 PolarHBondContact O-N 3.28Å; D70-F74 VanDerWaalsContact O-N 3.13Å
71L84.6Confident85.6Confident1 Ų161.6 Ų61.61%0.00535%0.345CS..Hα-helixtrans-74.7-22.4-177.1-165.263.4000112.4A7 I68 F74 Y75 I113 I116 S117A7-L71 HydrophobicContact CB-CD2 4.01Å; A7-L71 HydrophobicContact CB-CG 4Å; I68-L71 HydrophobicContact CG2-CD1 4.01Å; L71-F74 HydrophobicContact CD1-CB 4.38Å; L71-F74 HydrophobicContact CD1-CD1 4.27Å; L71-Y75 WeakPolarHBondContact O-CB 3.48Å; L71-Y75 PolarHBondContact O-N 2.95Å; L71-I113 HydrophobicContact CD1-CG2 4.43Å; L71-I116 HydrophobicContact CB-CG2 4.32Å; L71-I116 HydrophobicContact CD1-CG2 4.44Å; L71-I116 HydrophobicContact CD2-CB 4.42Å; L71-I116 HydrophobicContact CD2-CG2 4.16Å; L71-S117 WeakPolarHBondContact CD2-OG 3.41Å
72Q83.6Confident86.2Confident40 Ų4058 Ų5819%0.18732%0.322CS..Hα-helixtrans-72.8-42.7174.6-168.1-168.882.800111.1E9 D70 F74 Y75 K76E9-Q72 VanDerWaalsContact CD-NE2 3.33Å; E9-Q72 HydrophobicContact CG-CB 3.98Å; E9-Q72 VanDerWaalsContact OE2-CD 3.25Å; E9-Q72 PolarHBondContact OE2-NE2 3.14Å; D70-Q72 VanDerWaalsContact C-N 3.3Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.26Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.27Å; D70-Q72 PolarHBondContact OD1-N 2.8Å; Q72-F74 VanDerWaalsContact C-N 3.3Å; Q72-Y75 PolarHBondContact O-N 2.86Å; Q72-K76 HydrophobicContact CG-CD 4.49Å; Q72-K76 WeakPolarHBondContact O-CB 3.43Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 3.03Å
73A87.5Confident86.9Confident41 Ų4162.2 Ų62.234%0.33935%0.345SS..Hα-helixtrans-58.9-46172.200000110.2D70 Y75 K76 T77D70-A73 HydrophobicContact CB-CB 3.99Å; D70-A73 PolarHBondContact OD1-N 3.24Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.33Å; A73-K76 PolarHBondContact O-N 3.43Å; A73-T77 PolarHBondContact O-N 3.18Å; A73-T77 PolarHBondContact O-OG1 3.36Å; A73-T77 VanDerWaalsContact O-OG1 3.09Å
74F91.5Very high87.9Confident17 Ų1761 Ų618%0.07534%0.342CS..Hα-helixtrans-58.1-44.3175.5-170-90000112.4L51 H54 L55 I58 I68 D70 L71 Q72 S78L51-F74 HydrophobicContact CB-CE1 4.44Å; L51-F74 HydrophobicContact CD2-CD1 3.68Å; L51-F74 HydrophobicContact CD2-CE1 3.92Å; H54-F74 HydrophobicContact CB-CE1 4.19Å; H54-F74 HydrophobicContact CB-CZ 3.95Å; H54-F74 AromaticContact CD2-CD2 3.81Å; H54-F74 AromaticContact CD2-CE1 3.84Å; H54-F74 AromaticContact CD2-CE2 3.45Å; H54-F74 VanDerWaalsContact CD2-CE2 3.45Å; H54-F74 WeakPolarHBondContact CD2-CE2 3.28Å; H54-F74 AromaticContact CD2-CZ 3.47Å; H54-F74 VanDerWaalsContact CD2-CZ 3.47Å; H54-F74 WeakPolarHBondContact CD2-CZ 3.49Å; L55-F74 HydrophobicContact CB-CZ 3.94Å; L55-F74 HydrophobicContact CD1-CZ 4.4Å; I58-F74 HydrophobicContact CD1-CE2 4.25Å; I68-F74 HydrophobicContact CD1-CD2 3.91Å; I68-F74 HydrophobicContact CD1-CE1 4.42Å; I68-F74 HydrophobicContact CD1-CE2 3.78Å; I68-F74 HydrophobicContact CD1-CG 4.29Å; I68-F74 HydrophobicContact CD1-CZ 4.05Å; I68-F74 HydrophobicContact CG1-CD2 4.25Å; I68-F74 HydrophobicContact CG1-CE2 4.37Å; I68-F74 HydrophobicContact CG2-CB 4.08Å; I68-F74 HydrophobicContact CG2-CD2 4.32Å; I68-F74 HydrophobicContact CG2-CG 4.29Å; D70-F74 PolarHBondContact O-N 3.28Å; D70-F74 VanDerWaalsContact O-N 3.13Å; L71-F74 HydrophobicContact CD1-CB 4.38Å; L71-F74 HydrophobicContact CD1-CD1 4.27Å; Q72-F74 VanDerWaalsContact C-N 3.3Å; F74-S78 WeakPolarHBondContact O-CB 3.3Å; F74-S78 PolarHBondContact O-N 3.19Å; F74-S78 PolarHBondContact O-OG 3.22Å
75Y90.6Very high89Confident45 Ų4559.6 Ų59.618%0.17633%0.328CS..Hα-helixtrans-60.7-49.8174.1175.9-84.2000111.7A7 Q47 M50 L51 L71 Q72 A73 T77 S78 K79A7-Y75 HydrophobicContact CB-CD2 4.34Å; A7-Y75 WeakPolarHBondContact O-CB 3.44Å; Q47-Y75 HydrophobicContact CB-CE2 4.25Å; M50-Y75 HydrophobicContact CE-CD2 3.61Å; M50-Y75 HydrophobicContact CE-CE1 4.29Å; M50-Y75 HydrophobicContact CE-CE2 3.08Å; M50-Y75 HydrophobicContact CE-CG 4.39Å; M50-Y75 VanDerWaalsContact CE-CZ 3.47Å; L51-Y75 HydrophobicContact CD1-CD2 4.44Å; L51-Y75 HydrophobicContact CD2-CD2 4.19Å; L71-Y75 WeakPolarHBondContact O-CB 3.48Å; L71-Y75 PolarHBondContact O-N 2.95Å; Q72-Y75 PolarHBondContact O-N 2.86Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.33Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.47Å; Y75-S78 PolarHBondContact O-N 3.17Å; Y75-S78 PolarHBondContact O-OG 3.4Å; Y75-K79 HydrophobicContact CE1-CB 4.4Å; Y75-K79 WeakPolarHBondContact O-CB 3.36Å; Y75-K79 PolarHBondContact O-N 3.45Å
76K90.6Very high89.9Confident93 Ų9363.9 Ų63.940%0.40433%0.332SS..Hα-helixtrans-58.6-45.8-179.9-77173.2175.4166.80111Q72 A73 K79 T80Q72-K76 HydrophobicContact CG-CD 4.49Å; Q72-K76 WeakPolarHBondContact O-CB 3.43Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 3.03Å; A73-K76 PolarHBondContact O-N 3.43Å; K76-K79 PolarHBondContact O-N 2.99Å; K76-T80 PolarHBondContact O-N 2.82Å; K76-T80 PolarHBondContact O-OG1 3.28Å
77T93.9Very high90.6Very high68 Ų6868.8 Ų68.842%0.41736%0.358SS..Hα-helixtrans-61.4-48.2175.6-55.50000111.3H54 A73 Y75 K79 T80 R81H54-T77 WeakPolarHBondContact NE2-CG2 3.39Å; A73-T77 PolarHBondContact O-N 3.18Å; A73-T77 PolarHBondContact O-OG1 3.36Å; A73-T77 VanDerWaalsContact O-OG1 3.09Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.47Å; T77-K79 PolarHBondContact O-N 2.86Å; T77-T80 PolarHBondContact O-N 3.12Å; T77-R81 VanDerWaalsContact O-CG 3.31Å; T77-R81 WeakPolarHBondContact O-CG 3.25Å; T77-R81 PolarHBondContact O-N 3.4Å
78S94.4Very high91.2Very high0 Ų064 Ų640%033%0.327CS..Hα-helixtrans-59.6-34.4177.375.40000112.6F74 Y75 Y82 F88F74-S78 WeakPolarHBondContact O-CB 3.3Å; F74-S78 PolarHBondContact O-N 3.19Å; F74-S78 PolarHBondContact O-OG 3.22Å; Y75-S78 PolarHBondContact O-N 3.17Å; Y75-S78 PolarHBondContact O-OG 3.4Å; S78-Y82 WeakPolarHBondContact O-CB 3.18Å; S78-Y82 PolarHBondContact O-N 3.34Å; S78-F88 WeakPolarHBondContact O-CE1 3.43Å
79K93.7Very high91.8Very high71 Ų7165.1 Ų65.131%0.30933%0.333SS..Hα-helixtrans-71.8-45.6178.9-177.953.8178.7150.90112.1M50 Y75 K76 T77 R81 Y82 D83M50-K79 HydrophobicContact CE-CB 4.36Å; M50-K79 HydrophobicContact CE-CD 4.47Å; M50-K79 HydrophobicContact SD-CB 4.1Å; M50-K79 HydrophobicContact SD-CD 3.98Å; Y75-K79 HydrophobicContact CE1-CB 4.4Å; Y75-K79 WeakPolarHBondContact O-CB 3.36Å; Y75-K79 PolarHBondContact O-N 3.45Å; K76-K79 PolarHBondContact O-N 2.99Å; T77-K79 PolarHBondContact O-N 2.86Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.48Å; K79-Y82 WeakPolarHBondContact O-CB 3.47Å; K79-Y82 PolarHBondContact O-N 3.46Å; K79-Y82 VanDerWaalsContact O-N 3.17Å; K79-D83 WeakPolarHBondContact CE-OD2 3.34Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 3.74Å; K79-D83 PolarHBondContact NZ-OD1 3.4Å; K79-D83 IonicContact NZ-OD2 2.9Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact NZ-OD2 3.11Å; K79-D83 PolarHBondContact O-N 3.26Å
80T95.6Very high92.6Very high68 Ų6864.7 Ų64.742%0.41732%0.318SS..Hα-helixtrans-56.8-46.9173.9-62.40000110.9K76 T77 Y82 D83 E84K76-T80 PolarHBondContact O-N 2.82Å; K76-T80 PolarHBondContact O-OG1 3.28Å; T77-T80 PolarHBondContact O-N 3.12Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.96Å; T80-D83 PolarHBondContact O-N 3.15Å; T80-D83 VanDerWaalsContact O-N 3.16Å; T80-E84 HydrophobicContact CG2-CG 4.37Å; T80-E84 WeakPolarHBondContact O-CB 3.47Å; T80-E84 WeakPolarHBondContact O-CG 3.46Å; T80-E84 PolarHBondContact O-N 3.3Å
81R96.3Very high93.2Very high39 Ų3965.9 Ų65.915%0.14732%0.319CS..Hα-helixtrans-62.7-39177.3-62.8-174.868.9-147.4-18.4112.3H54 E57 T77 K79 D83 E85 F88H54-R81 PolarHBondContact ND1-NH1 2.93Å; E57-R81 IonicContact OE1-NH2 3.17Å; E57-R81 PolarHBondContact OE1-NH2 2.9Å; E57-R81 IonicContact OE2-CZ 3.44Å; E57-R81 IonicContact OE2-NH1 2.65Å; E57-R81 PolarHBondContact OE2-NH1 2.56Å; E57-R81 IonicContact OE2-NH2 2.79Å; E57-R81 PolarHBondContact OE2-NH2 3.45Å; T77-R81 VanDerWaalsContact O-CG 3.31Å; T77-R81 WeakPolarHBondContact O-CG 3.25Å; T77-R81 PolarHBondContact O-N 3.4Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.48Å; R81-D83 VanDerWaalsContact C-N 3.29Å; R81-D83 PolarHBondContact O-N 3.05Å; R81-E85 VanDerWaalsContact CG-OE1 3.27Å; R81-E85 WeakPolarHBondContact CG-OE1 3.36Å; R81-E85 IonicContact CZ-OE1 3.2Å; R81-E85 IonicContact CZ-OE2 2.59Å; R81-E85 IonicContact NE-OE1 2.65Å; R81-E85 PolarHBondContact NE-OE1 3.4Å; R81-E85 IonicContact NE-OE2 2.78Å; R81-E85 PolarHBondContact NE-OE2 3.31Å; R81-E85 IonicContact NH2-OE1 2.76Å; R81-E85 IonicContact NH2-OE2 3.34Å; R81-E85 PolarHBondContact NH2-OE2 3.44Å; R81-E85 WeakPolarHBondContact O-CA 3.31Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.42Å; R81-E85 PolarHBondContact O-N 2.82Å; R81-F88 HydrophobicContact CB-CD1 3.8Å; R81-F88 HydrophobicContact CB-CD2 4.36Å; R81-F88 HydrophobicContact CB-CE1 3.93Å; R81-F88 HydrophobicContact CB-CE2 4.5Å; R81-F88 HydrophobicContact CB-CG 4.02Å; R81-F88 HydrophobicContact CB-CZ 4.29Å; R81-F88 VanDerWaalsContact NH2-CD2 3.31Å
82Y95.1Very high93.7Very high57 Ų5765.9 Ų65.922%0.22432%0.319CS..Hα-helixtrans-61.4-35.9175.1-176-87.4000113.7M50 S78 K79 T80 N89 A92 H93M50-Y82 HydrophobicContact CB-CD2 4.08Å; M50-Y82 HydrophobicContact CB-CG 4.48Å; S78-Y82 WeakPolarHBondContact O-CB 3.18Å; S78-Y82 PolarHBondContact O-N 3.34Å; K79-Y82 WeakPolarHBondContact O-CB 3.47Å; K79-Y82 PolarHBondContact O-N 3.46Å; K79-Y82 VanDerWaalsContact O-N 3.17Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.96Å; Y82-N89 VanDerWaalsContact CE1-ND2 3.31Å; Y82-N89 WeakPolarHBondContact CE1-ND2 3.46Å; Y82-N89 WeakPolarHBondContact CE2-ND2 3.16Å; Y82-N89 PolarHBondContact O-ND2 3.47Å; Y82-A92 HydrophobicContact CD2-CB 3.61Å; Y82-A92 HydrophobicContact CE2-CB 3.78Å; Y82-H93 PolarHBondContact OH-CE1 3.44Å; Y82-H93 PolarHBondContact OH-NE2 2.84Å; Y82-H93 VanDerWaalsContact OH-NE2 3.11Å
83D93.6Very high94.2Very high100 Ų10068.6 Ų68.654%0.53533%0.331SS..Hα-helixtrans-83.8-31.4-178.3-66.2-27.1000112.4K79 T80 R81K79-D83 WeakPolarHBondContact CE-OD2 3.34Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 3.74Å; K79-D83 PolarHBondContact NZ-OD1 3.4Å; K79-D83 IonicContact NZ-OD2 2.9Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact NZ-OD2 3.11Å; K79-D83 PolarHBondContact O-N 3.26Å; T80-D83 PolarHBondContact O-N 3.15Å; T80-D83 VanDerWaalsContact O-N 3.16Å; R81-D83 VanDerWaalsContact C-N 3.29Å; R81-D83 PolarHBondContact O-N 3.05Å
84E96.6Very high94.5Very high156 Ų15672.1 Ų72.173%0.72934%0.342SS*.Hα-helixtrans-102-29.7-173.3-64.2179178.500114.4T80T80-E84 HydrophobicContact CG2-CG 4.37Å; T80-E84 WeakPolarHBondContact O-CB 3.47Å; T80-E84 WeakPolarHBondContact O-CG 3.46Å; T80-E84 PolarHBondContact O-N 3.3Å
85E96.9Very high94.7Very high77 Ų7771.4 Ų71.436%0.3634%0.339SS..  trans-106.1107-175-61.9172.6-145.100111.7R81 D87 F88 N89R81-E85 VanDerWaalsContact CG-OE1 3.27Å; R81-E85 WeakPolarHBondContact CG-OE1 3.36Å; R81-E85 IonicContact CZ-OE1 3.2Å; R81-E85 IonicContact CZ-OE2 2.59Å; R81-E85 IonicContact NE-OE1 2.65Å; R81-E85 PolarHBondContact NE-OE1 3.4Å; R81-E85 IonicContact NE-OE2 2.78Å; R81-E85 PolarHBondContact NE-OE2 3.31Å; R81-E85 IonicContact NH2-OE1 2.76Å; R81-E85 IonicContact NH2-OE2 3.34Å; R81-E85 PolarHBondContact NH2-OE2 3.44Å; R81-E85 WeakPolarHBondContact O-CA 3.31Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.42Å; R81-E85 PolarHBondContact O-N 2.82Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 2.67Å; E85-F88 HydrophobicContact CB-CB 3.67Å; E85-F88 PolarHBondContact O-N 2.72Å; E85-F88 VanDerWaalsContact O-N 3.15Å; E85-N89 PolarHBondContact O-N 2.69Å
86K94.8Very high94.7Very high164 Ų16470 Ų7071%0.71334%0.335SS*.Hα-helixtrans-58-40.4-179-168.8178.3-179.9-178.50113.6N89 Q90K86-N89 WeakPolarHBondContact O-CB 3.17Å; K86-N89 PolarHBondContact O-N 3.5Å; K86-Q90 PolarHBondContact O-N 3.05Å
87D96.2Very high94.7Very high115 Ų11569 Ų6962%0.61534%0.337SS*.Hα-helixtrans-72-33.1179.8-68.3-8.3000111.8E85 R91E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 2.67Å; D87-R91 WeakPolarHBondContact O-CG 3.19Å; D87-R91 PolarHBondContact O-N 3.31Å; D87-R91 PolarHBondContact O-NE 3.32Å
88F96.7Very high94.7Very high0 Ų069 Ų690%033%0.331CS..Hα-helixtrans-69.4-41.5174.4-176.7-91.1000111.2M50 A53 H54 E57 S78 R81 E85 Q90 R91 A92M50-F88 HydrophobicContact CB-CE1 4.06Å; M50-F88 HydrophobicContact CB-CZ 4.47Å; M50-F88 WeakPolarHBondContact O-CZ 3.23Å; A53-F88 HydrophobicContact CB-CE2 3.93Å; A53-F88 HydrophobicContact CB-CZ 4.01Å; H54-F88 HydrophobicContact CB-CE2 4.15Å; H54-F88 HydrophobicContact CB-CZ 3.91Å; E57-F88 WeakPolarHBondContact OE2-CD2 3.38Å; S78-F88 WeakPolarHBondContact O-CE1 3.43Å; R81-F88 HydrophobicContact CB-CD1 3.8Å; R81-F88 HydrophobicContact CB-CD2 4.36Å; R81-F88 HydrophobicContact CB-CE1 3.93Å; R81-F88 HydrophobicContact CB-CE2 4.5Å; R81-F88 HydrophobicContact CB-CG 4.02Å; R81-F88 HydrophobicContact CB-CZ 4.29Å; R81-F88 VanDerWaalsContact NH2-CD2 3.31Å; E85-F88 HydrophobicContact CB-CB 3.67Å; E85-F88 PolarHBondContact O-N 2.72Å; E85-F88 VanDerWaalsContact O-N 3.15Å; F88-Q90 VanDerWaalsContact C-N 3.33Å; F88-Q90 PolarHBondContact O-N 3.46Å; F88-R91 PolarHBondContact O-N 3.34Å; F88-A92 WeakPolarHBondContact O-CB 3.36Å; F88-A92 PolarHBondContact O-N 3.43Å
89N95.3Very high94.7Very high44 Ų4469.2 Ų69.224%0.23533%0.332CS..Hα-helixtrans-54.7-47174.5-178.9-80.6000112Y82 E85 K86 R91 A92 H93Y82-N89 VanDerWaalsContact CE1-ND2 3.31Å; Y82-N89 WeakPolarHBondContact CE1-ND2 3.46Å; Y82-N89 WeakPolarHBondContact CE2-ND2 3.16Å; Y82-N89 PolarHBondContact O-ND2 3.47Å; E85-N89 PolarHBondContact O-N 2.69Å; K86-N89 WeakPolarHBondContact O-CB 3.17Å; K86-N89 PolarHBondContact O-N 3.5Å; N89-R91 PolarHBondContact O-N 3Å; N89-A92 WeakPolarHBondContact O-CB 3.17Å; N89-A92 PolarHBondContact O-N 2.85Å; N89-H93 PolarHBondContact O-CD2 3.41Å; N89-H93 VanDerWaalsContact O-CD2 3.28Å; N89-H93 PolarHBondContact O-N 3.41Å; N89-H93 PolarHBondContact OD1-CD2 3.27Å; N89-H93 VanDerWaalsContact OD1-CD2 3.29Å
90Q94.4Very high94.3Very high108 Ų10870.1 Ų70.151%0.50534%0.338SS..Hα-helixtrans-61.7-44.1176.1-71.1-178.4-9.200112.4K86 F88 A92 H93 M94K86-Q90 PolarHBondContact O-N 3.05Å; F88-Q90 VanDerWaalsContact C-N 3.33Å; F88-Q90 PolarHBondContact O-N 3.46Å; Q90-A92 VanDerWaalsContact C-N 3.34Å; Q90-A92 PolarHBondContact O-N 2.92Å; Q90-H93 PolarHBondContact O-N 2.96Å; Q90-M94 WeakPolarHBondContact O-CG 3.22Å; Q90-M94 PolarHBondContact O-N 2.83Å
91R95.7Very high94Very high80 Ų8073 Ų7330%0.30235%0.346SS..Hα-helixtrans-64.4-37.3176.7-74-178.4-68.2121.3-15112.6A53 E57 D87 F88 N89 M94 A95A53-R91 HydrophobicContact CB-CB 4.41Å; E57-R91 IonicContact OE1-CZ 2.85Å; E57-R91 IonicContact OE1-NH1 3.24Å; E57-R91 PolarHBondContact OE1-NH1 3.41Å; E57-R91 IonicContact OE1-NH2 3.98Å; E57-R91 PolarHBondContact OE1-NH2 3.14Å; E57-R91 IonicContact OE2-CZ 3.4Å; E57-R91 IonicContact OE2-NH1 2.64Å; E57-R91 PolarHBondContact OE2-NH1 3.36Å; E57-R91 IonicContact OE2-NH2 3.83Å; E57-R91 PolarHBondContact OE2-NH2 3.47Å; D87-R91 WeakPolarHBondContact O-CG 3.19Å; D87-R91 PolarHBondContact O-N 3.31Å; D87-R91 PolarHBondContact O-NE 3.32Å; F88-R91 PolarHBondContact O-N 3.34Å; N89-R91 PolarHBondContact O-N 3Å; R91-M94 PolarHBondContact O-N 2.65Å; R91-A95 WeakPolarHBondContact O-CB 3.38Å; R91-A95 PolarHBondContact O-N 2.99Å
92A95.6Very high93.7Very high1 Ų175.9 Ų75.91%0.00836%0.364CS..Hα-helixtrans-62.8-44.417500000111.3G49 M50 A53 Y82 F88 N89 Q90 A95 V96G49-A92 VanDerWaalsContact CA-O 3.27Å; G49-A92 WeakPolarHBondContact CA-O 3.38Å; M50-A92 HydrophobicContact CB-CB 4.14Å; A53-A92 HydrophobicContact CB-CB 4.31Å; Y82-A92 HydrophobicContact CD2-CB 3.61Å; Y82-A92 HydrophobicContact CE2-CB 3.78Å; F88-A92 WeakPolarHBondContact O-CB 3.36Å; F88-A92 PolarHBondContact O-N 3.43Å; N89-A92 WeakPolarHBondContact O-CB 3.17Å; N89-A92 PolarHBondContact O-N 2.85Å; Q90-A92 VanDerWaalsContact C-N 3.34Å; Q90-A92 PolarHBondContact O-N 2.92Å; A92-A95 WeakPolarHBondContact O-CB 3.29Å; A92-A95 PolarHBondContact O-N 3.43Å; A92-V96 PolarHBondContact O-N 2.96Å; A92-V96 VanDerWaalsContact O-N 3.1Å
93H92.4Very high93.7Very high96 Ų9675 Ų7544%0.44436%0.364SS..Hα-helixtrans-60.8-45.6173.5-78.1-59.7000112.4Y82 N89 Q90 A95 V96 V97Y82-H93 PolarHBondContact OH-CE1 3.44Å; Y82-H93 PolarHBondContact OH-NE2 2.84Å; Y82-H93 VanDerWaalsContact OH-NE2 3.11Å; N89-H93 PolarHBondContact O-CD2 3.41Å; N89-H93 VanDerWaalsContact O-CD2 3.28Å; N89-H93 PolarHBondContact O-N 3.41Å; N89-H93 PolarHBondContact OD1-CD2 3.27Å; N89-H93 VanDerWaalsContact OD1-CD2 3.29Å; Q90-H93 PolarHBondContact O-N 2.96Å; H93-A95 VanDerWaalsContact C-N 3.25Å; H93-A95 PolarHBondContact O-N 3.22Å; H93-V96 PolarHBondContact O-N 3Å; H93-V97 PolarHBondContact O-N 3.41Å
94M94.4Very high93.7Very high116 Ų11675.4 Ų75.457%0.57137%0.372SS*.Hα-helixtrans-59.6-38.1174.9-70174.466.500111.9Q90 R91 V97 K98Q90-M94 WeakPolarHBondContact O-CG 3.22Å; Q90-M94 PolarHBondContact O-N 2.83Å; R91-M94 PolarHBondContact O-N 2.65Å; M94-V97 PolarHBondContact O-N 2.96Å; M94-K98 WeakPolarHBondContact O-CB 3.38Å; M94-K98 VanDerWaalsContact O-CG 3.28Å; M94-K98 WeakPolarHBondContact O-CG 3.38Å; M94-K98 PolarHBondContact O-N 3.33Å
95A95.5Very high93.6Very high2 Ų272.5 Ų72.52%0.01736%0.358CS..Hα-helixtrans-65.3-37.917800000112.8I52 R91 A92 H93 K98 L99 Y106I52-A95 HydrophobicContact CB-CB 4.29Å; I52-A95 HydrophobicContact CG2-CB 4.24Å; R91-A95 WeakPolarHBondContact O-CB 3.38Å; R91-A95 PolarHBondContact O-N 2.99Å; A92-A95 WeakPolarHBondContact O-CB 3.29Å; A92-A95 PolarHBondContact O-N 3.43Å; H93-A95 VanDerWaalsContact C-N 3.25Å; H93-A95 PolarHBondContact O-N 3.22Å; A95-K98 PolarHBondContact O-N 3.49Å; A95-L99 WeakPolarHBondContact O-CB 3.25Å; A95-L99 PolarHBondContact O-N 2.8Å; A95-Y106 HydrophobicContact CB-CD1 3.94Å; A95-Y106 HydrophobicContact CB-CE1 3.69Å
96V91.9Very high93.5Very high15 Ų1570.6 Ų70.69%0.09135%0.348CS..Hα-helixtrans-60.5-48.7172.5-179.50000110.6T46 G49 A92 H93 K98 L99 Q100T46-V96 WeakPolarHBondContact O-CG2 3.26Å; G49-V96 VanDerWaalsContact CA-CG2 3.47Å; A92-V96 PolarHBondContact O-N 2.96Å; A92-V96 VanDerWaalsContact O-N 3.1Å; H93-V96 PolarHBondContact O-N 3Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 3.45Å; V96-L99 PolarHBondContact O-N 3.42Å; V96-Q100 HydrophobicContact CG1-CG 4.39Å; V96-Q100 WeakPolarHBondContact O-CG 3.21Å; V96-Q100 PolarHBondContact O-N 3.19Å
97V89.1Confident93.5Very high71 Ų7164 Ų6443%0.4332%0.322SS..Hα-helixtrans-61-44.6-179.4174.90000110.8H93 M94 L99 Q100 Q101H93-V97 PolarHBondContact O-N 3.41Å; M94-V97 PolarHBondContact O-N 2.96Å; V97-L99 PolarHBondContact O-N 2.9Å; V97-Q100 PolarHBondContact O-N 2.84Å; V97-Q101 WeakPolarHBondContact O-CB 3.47Å; V97-Q101 VanDerWaalsContact O-CG 3.29Å; V97-Q101 WeakPolarHBondContact O-CG 3.12Å; V97-Q101 PolarHBondContact O-N 2.81Å
98K94.7Very high93.4Very high70 Ų7062.4 Ų62.430%0.30431%0.31SS..Hα-helixtrans-62.9-40.7177.4-74.2-67.2-167.11690112.9M94 A95 V96 Q101 N102 D103 Y106M94-K98 WeakPolarHBondContact O-CB 3.38Å; M94-K98 VanDerWaalsContact O-CG 3.28Å; M94-K98 WeakPolarHBondContact O-CG 3.38Å; M94-K98 PolarHBondContact O-N 3.33Å; A95-K98 PolarHBondContact O-N 3.49Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 3.45Å; K98-Q101 PolarHBondContact O-N 2.84Å; K98-N102 PolarHBondContact O-N 2.88Å; K98-D103 HydrophobicContact CB-CB 4.2Å; K98-D103 HydrophobicContact CD-CB 4.2Å; K98-D103 IonicContact NZ-OD2 3.8Å; K98-D103 PolarHBondContact NZ-OD2 3.04Å; K98-D103 VanDerWaalsContact O-CB 3.24Å; K98-D103 WeakPolarHBondContact O-CB 3.34Å; K98-D103 PolarHBondContact O-N 2.95Å; K98-Y106 HydrophobicContact CB-CD1 3.65Å; K98-Y106 HydrophobicContact CB-CD2 3.58Å; K98-Y106 HydrophobicContact CB-CE1 3.83Å; K98-Y106 HydrophobicContact CB-CE2 3.73Å; K98-Y106 HydrophobicContact CB-CG 3.53Å; K98-Y106 HydrophobicContact CD-CE2 4.26Å; K98-Y106 HydrophobicContact CG-CD1 4.5Å; K98-Y106 HydrophobicContact CG-CD2 4.15Å; K98-Y106 HydrophobicContact CG-CE1 4.2Å; K98-Y106 HydrophobicContact CG-CE2 3.79Å; K98-Y106 HydrophobicContact CG-CG 4.49Å
99L93.5Very high93.3Very high4 Ų462.4 Ų62.42%0.02131%0.31CS..Hα-helixtrans-62.9-45.4174.5-179.962.9000111.5W44 F48 I52 A95 V96 V97 Q101 N102 V107 W110W44-L99 HydrophobicContact CE3-CD2 4.44Å; W44-L99 HydrophobicContact CH2-CD1 4.13Å; W44-L99 HydrophobicContact CH2-CD2 4.16Å; W44-L99 HydrophobicContact CH2-CG 3.66Å; W44-L99 HydrophobicContact CZ2-CG 4.42Å; W44-L99 HydrophobicContact CZ3-CD1 4.09Å; W44-L99 HydrophobicContact CZ3-CD2 3.96Å; W44-L99 HydrophobicContact CZ3-CG 3.85Å; F48-L99 HydrophobicContact CB-CD2 3.97Å; I52-L99 HydrophobicContact CD1-CB 4.38Å; I52-L99 HydrophobicContact CD1-CD1 4.42Å; I52-L99 HydrophobicContact CD1-CD2 3.91Å; I52-L99 HydrophobicContact CD1-CG 4.47Å; A95-L99 WeakPolarHBondContact O-CB 3.25Å; A95-L99 PolarHBondContact O-N 2.8Å; V96-L99 PolarHBondContact O-N 3.42Å; V97-L99 PolarHBondContact O-N 2.9Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 3.06Å; L99-N102 PolarHBondContact O-N 2.9Å; L99-V107 HydrophobicContact CD1-CG2 4.1Å; L99-W110 HydrophobicContact CD1-CB 3.61Å; L99-W110 HydrophobicContact CD1-CD2 4.46Å; L99-W110 HydrophobicContact CD1-CG 3.9Å; L99-W110 HydrophobicContact CD2-CB 4.3Å; L99-W110 HydrophobicContact CD2-CG 4.19Å
100Q86.3Confident93.3Very high90 Ų9061.8 Ų61.842%0.42131%0.305SS..Hα-helixtrans-64-30.5177.3-72.1174.9-20.600113W44 V96 V97 N102W44-Q100 HydrophobicContact CZ2-CG 4.13Å; V96-Q100 HydrophobicContact CG1-CG 4.39Å; V96-Q100 WeakPolarHBondContact O-CG 3.21Å; V96-Q100 PolarHBondContact O-N 3.19Å; V97-Q100 PolarHBondContact O-N 2.84Å; Q100-N102 PolarHBondContact O-N 2.88Å
101Q88.3Confident93.2Very high128 Ų12861.8 Ų61.860%0.59830%0.303SS*.THydrogen-bonded Turntrans-77.65173.8-71.7173.7-5.200113.7V97 K98 L99 D103V97-Q101 WeakPolarHBondContact O-CB 3.47Å; V97-Q101 VanDerWaalsContact O-CG 3.29Å; V97-Q101 WeakPolarHBondContact O-CG 3.12Å; V97-Q101 PolarHBondContact O-N 2.81Å; K98-Q101 PolarHBondContact O-N 2.84Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 3.06Å; Q101-D103 PolarHBondContact O-N 3.15Å
102N89.9Confident93.1Very high99 Ų9958.7 Ų58.753%0.52929%0.292SS..THydrogen-bonded Turntrans55.635.1-174.5-74.6-51.9000113.4K98 L99 Q100 P104K98-N102 PolarHBondContact O-N 2.88Å; L99-N102 PolarHBondContact O-N 2.9Å; Q100-N102 PolarHBondContact O-N 2.88Å; N102-P104 WeakPolarHBondContact O-CD 3.36Å
103D95.1Very high93Very high40 Ų4058.7 Ų58.721%0.21429%0.291CS..  trans-59.4121.3173.6-172.5-59.5000109.3K98 Q101 E105 Y106 V107K98-D103 HydrophobicContact CB-CB 4.2Å; K98-D103 HydrophobicContact CD-CB 4.2Å; K98-D103 IonicContact NZ-OD2 3.8Å; K98-D103 PolarHBondContact NZ-OD2 3.04Å; K98-D103 VanDerWaalsContact O-CB 3.24Å; K98-D103 WeakPolarHBondContact O-CB 3.34Å; K98-D103 PolarHBondContact O-N 2.95Å; Q101-D103 PolarHBondContact O-N 3.15Å; D103-E105 PolarHBondContact O-N 3.16Å; D103-E105 VanDerWaalsContact O-N 3.11Å; D103-E105 PolarHBondContact OD1-N 2.74Å; D103-E105 VanDerWaalsContact OD1-N 3.14Å; D103-Y106 HydrophobicContact CB-CD2 3.88Å; D103-Y106 HydrophobicContact CB-CG 4.47Å; D103-Y106 PolarHBondContact O-N 3.27Å; D103-Y106 WeakPolarHBondContact OD1-CD2 3.45Å; D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 3.37Å
104P95.3Very high93.1Very high108 Ų10854.2 Ų54.270%0.70127%0.271SS*.Hα-helixtrans-56.6-33.9-170.9-28.134.9000114.1N102 H108N102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-H108 WeakPolarHBondContact O-CB 3.49Å; P104-H108 PolarHBondContact O-N 3.11Å
105E94.1Very high93Very high95 Ų9552 Ų5244%0.44426%0.262SS..Hα-helixtrans-71.5-41-179.3-162.3-168.8176.300111.1K56 D103 H108 A109K56-E105 IonicContact NZ-OE1 3.09Å; K56-E105 PolarHBondContact NZ-OE1 3.11Å; K56-E105 IonicContact NZ-OE2 3.85Å; K56-E105 PolarHBondContact NZ-OE2 3.27Å; D103-E105 PolarHBondContact O-N 3.16Å; D103-E105 VanDerWaalsContact O-N 3.11Å; D103-E105 PolarHBondContact OD1-N 2.74Å; D103-E105 VanDerWaalsContact OD1-N 3.14Å; E105-H108 PolarHBondContact O-N 2.92Å; E105-A109 PolarHBondContact O-N 2.95Å
106Y94.7Very high92.7Very high37 Ų3753 Ų5315%0.14527%0.266CS..Hα-helixtrans-75-36-179.9-70.2-102.5000111.8I52 K56 A95 K98 D103 H108 A109 W110I52-Y106 HydrophobicContact CG2-CD1 3.66Å; I52-Y106 HydrophobicContact CG2-CE1 4.14Å; K56-Y106 HydrophobicContact CD-CE1 4.28Å; A95-Y106 HydrophobicContact CB-CD1 3.94Å; A95-Y106 HydrophobicContact CB-CE1 3.69Å; K98-Y106 HydrophobicContact CB-CD1 3.65Å; K98-Y106 HydrophobicContact CB-CD2 3.58Å; K98-Y106 HydrophobicContact CB-CE1 3.83Å; K98-Y106 HydrophobicContact CB-CE2 3.73Å; K98-Y106 HydrophobicContact CB-CG 3.53Å; K98-Y106 HydrophobicContact CD-CE2 4.26Å; K98-Y106 HydrophobicContact CG-CD1 4.5Å; K98-Y106 HydrophobicContact CG-CD2 4.15Å; K98-Y106 HydrophobicContact CG-CE1 4.2Å; K98-Y106 HydrophobicContact CG-CE2 3.79Å; K98-Y106 HydrophobicContact CG-CG 4.49Å; D103-Y106 HydrophobicContact CB-CD2 3.88Å; D103-Y106 HydrophobicContact CB-CG 4.47Å; D103-Y106 PolarHBondContact O-N 3.27Å; D103-Y106 WeakPolarHBondContact OD1-CD2 3.45Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; Y106-A109 PolarHBondContact O-N 3.33Å; Y106-W110 WeakPolarHBondContact O-CB 3.2Å; Y106-W110 PolarHBondContact O-N 3.39Å
107V94.3Very high92.7Very high26 Ų2652.3 Ų52.316%0.15826%0.262CS..Hα-helixtrans-63.9-38.4171.2173.20000110.7L99 D103 W110 K111L99-V107 HydrophobicContact CD1-CG2 4.1Å; D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 3.37Å; V107-W110 HydrophobicContact CG1-CE3 4.39Å; V107-W110 PolarHBondContact O-N 2.54Å; V107-K111 HydrophobicContact CG1-CD 4.37Å; V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.23Å
108H94.2Very high92.8Very high81 Ų8152.2 Ų52.238%0.37525%0.254SS..Hα-helixtrans-63-48.5175.4-174.768.6000111.7H62 P104 E105 Y106 W110 K111 Q112H62-H108 PolarHBondContact O-NE2 2.87Å; P104-H108 WeakPolarHBondContact O-CB 3.49Å; P104-H108 PolarHBondContact O-N 3.11Å; E105-H108 PolarHBondContact O-N 2.92Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; H108-W110 VanDerWaalsContact C-N 3.35Å; H108-W110 PolarHBondContact O-N 3.44Å; H108-K111 PolarHBondContact O-N 2.76Å; H108-Q112 PolarHBondContact NE2-NE2 3.34Å; H108-Q112 WeakPolarHBondContact O-CG 3.42Å; H108-Q112 PolarHBondContact O-N 3.3Å; H108-Q112 VanDerWaalsContact O-N 3.07Å
109A94.3Very high92.6Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-57.8-44.5174.900000112.5I52 L55 E105 Y106 Q112 I113I52-A109 HydrophobicContact CG1-CB 4.18Å; I52-A109 HydrophobicContact CG2-CB 3.86Å; L55-A109 HydrophobicContact CD2-CB 3.9Å; E105-A109 PolarHBondContact O-N 2.95Å; Y106-A109 PolarHBondContact O-N 3.33Å; A109-Q112 PolarHBondContact O-N 3.27Å; A109-I113 WeakPolarHBondContact O-CD1 3.34Å; A109-I113 WeakPolarHBondContact O-CG1 3.38Å; A109-I113 PolarHBondContact O-N 2.84Å
110W94.9Very high92.4Very high31 Ų3158.6 Ų58.612%0.11728%0.283CS..Hα-helixtrans-59.1-48.8175.416978.4000112.1D43 W44 F48 I52 L99 Y106 V107 H108 Q112 I113 C114D43-W110 HydrophobicContact CB-CZ2 4.4Å; D43-W110 PolarHBondContact O-NE1 3.14Å; W44-W110 HydrophobicContact CE3-CZ2 4.36Å; F48-W110 AromaticContact CD1-CD1 3.41Å; F48-W110 VanDerWaalsContact CD1-CD1 3.41Å; F48-W110 AromaticContact CD1-NE1 3.98Å; F48-W110 AromaticContact CE1-CD1 3.51Å; F48-W110 AromaticContact CE1-NE1 3.68Å; F48-W110 AromaticContact CG-CD1 3.83Å; F48-W110 AromaticContact CZ-NE1 3.76Å; I52-W110 HydrophobicContact CD1-CB 4.11Å; L99-W110 HydrophobicContact CD1-CB 3.61Å; L99-W110 HydrophobicContact CD1-CD2 4.46Å; L99-W110 HydrophobicContact CD1-CG 3.9Å; L99-W110 HydrophobicContact CD2-CB 4.3Å; L99-W110 HydrophobicContact CD2-CG 4.19Å; Y106-W110 WeakPolarHBondContact O-CB 3.2Å; Y106-W110 PolarHBondContact O-N 3.39Å; V107-W110 HydrophobicContact CG1-CE3 4.39Å; V107-W110 PolarHBondContact O-N 2.54Å; H108-W110 VanDerWaalsContact C-N 3.35Å; H108-W110 PolarHBondContact O-N 3.44Å; W110-Q112 VanDerWaalsContact C-N 3.3Å; W110-Q112 PolarHBondContact O-N 3.22Å; W110-I113 WeakPolarHBondContact O-CB 3.41Å; W110-I113 PolarHBondContact O-N 2.84Å; W110-I113 VanDerWaalsContact O-N 3.14Å; W110-C114 VanDerWaalsContact CE2-SG 3.5Å; W110-C114 PolarHBondContact NE1-SG 3.04Å; W110-C114 VanDerWaalsContact NE1-SG 3.43Å; W110-C114 PolarHBondContact O-N 3.04Å; W110-C114 PolarHBondContact O-SG 2.9Å
111K94.1Very high92.7Very high108 Ų10854.5 Ų54.547%0.4726%0.264SS..Hα-helixtrans-57.7-42.9177.8-75.7-179.9-179.7179.30111.9V107 H108 I113 C114 D115V107-K111 HydrophobicContact CG1-CD 4.37Å; V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.23Å; H108-K111 PolarHBondContact O-N 2.76Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.71Å; K111-C114 PolarHBondContact O-N 2.75Å; K111-D115 WeakPolarHBondContact O-CB 3.04Å; K111-D115 PolarHBondContact O-N 3.42Å
112Q92.7Very high92.9Very high14 Ų1452.4 Ų52.47%0.06526%0.257CS..Hα-helixtrans-60.5-43.3177.5-70.9179.8-36.300112.3H62 T64 H108 A109 W110 D115 I116H62-Q112 PolarHBondContact CD2-OE1 3.43Å; H62-Q112 PolarHBondContact O-NE2 2.81Å; H62-Q112 PolarHBondContact O-OE1 3.34Å; T64-Q112 PolarHBondContact O-NE2 2.93Å; H108-Q112 PolarHBondContact NE2-NE2 3.34Å; H108-Q112 WeakPolarHBondContact O-CG 3.42Å; H108-Q112 PolarHBondContact O-N 3.3Å; H108-Q112 VanDerWaalsContact O-N 3.07Å; A109-Q112 PolarHBondContact O-N 3.27Å; W110-Q112 VanDerWaalsContact C-N 3.3Å; W110-Q112 PolarHBondContact O-N 3.22Å; Q112-D115 PolarHBondContact O-N 3.28Å; Q112-I116 WeakPolarHBondContact O-CD1 3.4Å; Q112-I116 WeakPolarHBondContact O-CG1 3.24Å; Q112-I116 PolarHBondContact O-N 3.49Å
113I93Very high93Very high1 Ų151 Ų511%0.00525%0.249CC..Hα-helixtrans-61.8-46.5176.1-67.6158.5000110.4I6 A7 F48 L51 I52 L55 L71 A109 W110 K111 D115 I116 S117I6-I113 HydrophobicContact CG2-CG2 4.2Å; A7-I113 HydrophobicContact CB-CG2 4.36Å; F48-I113 HydrophobicContact CD1-CG2 4.39Å; F48-I113 HydrophobicContact CE1-CG2 4.02Å; L51-I113 HydrophobicContact CB-CD1 3.78Å; L51-I113 HydrophobicContact CD1-CG2 4.26Å; I52-I113 HydrophobicContact CG1-CD1 3.87Å; L55-I113 HydrophobicContact CD2-CD1 4.16Å; L55-I113 HydrophobicContact CD2-CG1 4.16Å; L71-I113 HydrophobicContact CD1-CG2 4.43Å; A109-I113 WeakPolarHBondContact O-CD1 3.34Å; A109-I113 WeakPolarHBondContact O-CG1 3.38Å; A109-I113 PolarHBondContact O-N 2.84Å; W110-I113 WeakPolarHBondContact O-CB 3.41Å; W110-I113 PolarHBondContact O-N 2.84Å; W110-I113 VanDerWaalsContact O-N 3.14Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.71Å; I113-D115 PolarHBondContact O-N 3.36Å; I113-I116 PolarHBondContact O-N 3.38Å; I113-S117 PolarHBondContact O-N 3.27Å
114C93.9Very high93Very high2 Ų249.2 Ų49.21%0.01424%0.24CC..Hα-helixtrans-61.6-42.3177-69.50000112.4W110 K111 I116 S117 R118W110-C114 VanDerWaalsContact CE2-SG 3.5Å; W110-C114 PolarHBondContact NE1-SG 3.04Å; W110-C114 VanDerWaalsContact NE1-SG 3.43Å; W110-C114 PolarHBondContact O-N 3.04Å; W110-C114 PolarHBondContact O-SG 2.9Å; K111-C114 PolarHBondContact O-N 2.75Å; C114-I116 VanDerWaalsContact C-N 3.28Å; C114-I116 PolarHBondContact O-N 3.36Å; C114-S117 PolarHBondContact O-N 3.18Å; C114-R118 WeakPolarHBondContact O-CB 3.35Å; C114-R118 PolarHBondContact O-N 3.23Å
115D92.4Very high93Very high71 Ų7144.8 Ų44.838%0.3821%0.209SC..Hα-helixtrans-63.4-33.6-179.6-68.9-11.5000112.1K111 Q112 I113 R118 K119K111-D115 WeakPolarHBondContact O-CB 3.04Å; K111-D115 PolarHBondContact O-N 3.42Å; Q112-D115 PolarHBondContact O-N 3.28Å; I113-D115 PolarHBondContact O-N 3.36Å; D115-R118 IonicContact OD1-CZ 3.67Å; D115-R118 IonicContact OD1-NH1 3.52Å; D115-R118 PolarHBondContact OD1-NH1 3.21Å; D115-K119 WeakPolarHBondContact O-CG 3.31Å; D115-K119 PolarHBondContact O-N 3.18Å
116I90.6Very high93.1Very high22 Ų2247.7 Ų47.711%0.11322%0.222CC..Hα-helixtrans-67.6-50.5174.9-65.7156.3000110.2P66 I68 L71 Q112 I113 C114 R118 K119 E120P66-I116 HydrophobicContact CG-CD1 4.16Å; I68-I116 HydrophobicContact CB-CD1 3.88Å; I68-I116 HydrophobicContact CD1-CD1 3.9Å; I68-I116 HydrophobicContact CG1-CD1 4.25Å; L71-I116 HydrophobicContact CB-CG2 4.32Å; L71-I116 HydrophobicContact CD1-CG2 4.44Å; L71-I116 HydrophobicContact CD2-CB 4.42Å; L71-I116 HydrophobicContact CD2-CG2 4.16Å; Q112-I116 WeakPolarHBondContact O-CD1 3.4Å; Q112-I116 WeakPolarHBondContact O-CG1 3.24Å; Q112-I116 PolarHBondContact O-N 3.49Å; I113-I116 PolarHBondContact O-N 3.38Å; C114-I116 VanDerWaalsContact C-N 3.28Å; C114-I116 PolarHBondContact O-N 3.36Å; I116-R118 VanDerWaalsContact C-N 3.27Å; I116-R118 PolarHBondContact O-N 3.47Å; I116-K119 PolarHBondContact O-N 2.97Å; I116-E120 PolarHBondContact O-N 3.17Å
117S91.7Very high93.1Very high1 Ų147.3 Ų47.31%0.00722%0.22CC..Hα-helixtrans-57.2-42.1174.1-78.40000112.3A7 L71 I113 C114 K119 E120 F121A7-S117 PolarHBondContact N-OG 3.4Å; L71-S117 WeakPolarHBondContact CD2-OG 3.41Å; I113-S117 PolarHBondContact O-N 3.27Å; C114-S117 PolarHBondContact O-N 3.18Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.28Å; S117-E120 PolarHBondContact O-N 3.33Å; S117-E120 VanDerWaalsContact O-N 3.16Å; S117-F121 WeakPolarHBondContact O-CD1 3.39Å; S117-F121 WeakPolarHBondContact O-CG 3.46Å; S117-F121 PolarHBondContact O-N 2.91Å
118R91.6Very high93.2Very high68 Ų6846.1 Ų46.126%0.25721%0.213SC..Hα-helixtrans-60.8-41.8-177.5-167.5-179.2-60.6108.64.4111.6C114 D115 I116 E120 F121 D122 E135C114-R118 WeakPolarHBondContact O-CB 3.35Å; C114-R118 PolarHBondContact O-N 3.23Å; D115-R118 IonicContact OD1-CZ 3.67Å; D115-R118 IonicContact OD1-NH1 3.52Å; D115-R118 PolarHBondContact OD1-NH1 3.21Å; I116-R118 VanDerWaalsContact C-N 3.27Å; I116-R118 PolarHBondContact O-N 3.47Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.3Å; R118-F121 PolarHBondContact O-N 2.83Å; R118-D122 WeakPolarHBondContact O-CB 3.47Å; R118-D122 PolarHBondContact O-N 3.4Å; R118-E135 WeakPolarHBondContact CD-OE2 3.49Å; R118-E135 IonicContact CZ-OE1 2.73Å; R118-E135 IonicContact CZ-OE2 3.35Å; R118-E135 IonicContact NE-OE1 2.72Å; R118-E135 PolarHBondContact NE-OE1 2.88Å; R118-E135 IonicContact NE-OE2 3.28Å; R118-E135 PolarHBondContact NE-OE2 3.09Å; R118-E135 IonicContact NH2-OE1 3.62Å; R118-E135 PolarHBondContact NH2-OE1 2.76Å; R118-E135 IonicContact NH2-OE2 3.46Å
119K90.2Very high93.3Very high150 Ų15043.5 Ų43.565%0.65221%0.209SC*.Hα-helixtrans-59.7-41.5176-73.8174.3-178.2177.30112.7D115 I116 S117 D123D115-K119 WeakPolarHBondContact O-CG 3.31Å; D115-K119 PolarHBondContact O-N 3.18Å; I116-K119 PolarHBondContact O-N 2.97Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.28Å; K119-D123 PolarHBondContact O-N 2.86Å
120E88.8Confident93.4Very high59 Ų5944.2 Ų44.228%0.27621%0.212SC..Hα-helixtrans-66.4-40.7176.2-67-179.7177.900111.5I116 S117 R118 V124I116-E120 PolarHBondContact O-N 3.17Å; S117-E120 PolarHBondContact O-N 3.33Å; S117-E120 VanDerWaalsContact O-N 3.16Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.3Å; E120-V124 PolarHBondContact O-N 3.02Å
121F93.2Very high93.3Very high4 Ų448.6 Ų48.62%0.01823%0.234CC..Hα-helixtrans-68-41.5178.4-57.8-16.5000111.7P4 I6 M10 L41 S117 R118 D123 V124 Y125P4-F121 HydrophobicContact CB-CE1 4.18Å; P4-F121 HydrophobicContact CB-CE2 4.05Å; P4-F121 HydrophobicContact CB-CZ 3.8Å; P4-F121 HydrophobicContact CG-CD1 4.34Å; P4-F121 HydrophobicContact CG-CD2 3.73Å; P4-F121 HydrophobicContact CG-CE1 4.17Å; P4-F121 HydrophobicContact CG-CE2 3.5Å; P4-F121 VanDerWaalsContact CG-CE2 3.5Å; P4-F121 HydrophobicContact CG-CG 4.14Å; P4-F121 HydrophobicContact CG-CZ 3.75Å; I6-F121 HydrophobicContact CD1-CE2 3.82Å; M10-F121 HydrophobicContact CG-CD1 3.5Å; M10-F121 HydrophobicContact CG-CE1 3.57Å; M10-F121 HydrophobicContact CG-CG 4.41Å; M10-F121 HydrophobicContact CG-CZ 4.49Å; M10-F121 HydrophobicContact SD-CB 4.25Å; M10-F121 HydrophobicContact SD-CD1 3.68Å; M10-F121 HydrophobicContact SD-CE1 4.34Å; M10-F121 HydrophobicContact SD-CG 4.12Å; L41-F121 HydrophobicContact CD2-CD2 4.41Å; L41-F121 HydrophobicContact CD2-CE2 4.31Å; S117-F121 WeakPolarHBondContact O-CD1 3.39Å; S117-F121 WeakPolarHBondContact O-CG 3.46Å; S117-F121 PolarHBondContact O-N 2.91Å; R118-F121 PolarHBondContact O-N 2.83Å; F121-D123 VanDerWaalsContact C-N 3.31Å; F121-D123 PolarHBondContact O-N 3.4Å; F121-V124 WeakPolarHBondContact O-CB 3.45Å; F121-V124 PolarHBondContact O-N 2.86Å; F121-V124 VanDerWaalsContact O-N 3.14Å; F121-Y125 HydrophobicContact CB-CD2 4.27Å; F121-Y125 HydrophobicContact CB-CE2 3.68Å; F121-Y125 WeakPolarHBondContact O-CD2 3.26Å; F121-Y125 VanDerWaalsContact O-CG 3.24Å; F121-Y125 PolarHBondContact O-N 3.35Å
122D92.9Very high93.3Very high84 Ų8449.6 Ų49.645%0.44924%0.244SC..Hα-helixtrans-61.9-36.8178.5-73.3-17.1000112R118 Y125 H126R118-D122 WeakPolarHBondContact O-CB 3.47Å; R118-D122 PolarHBondContact O-N 3.4Å; D122-Y125 PolarHBondContact O-N 2.88Å; D122-H126 VanDerWaalsContact O-CB 3.27Å; D122-H126 WeakPolarHBondContact O-CB 3.38Å; D122-H126 PolarHBondContact O-N 2.83Å
123D91.8Very high93.5Very high69 Ų6950.6 Ų50.637%0.36925%0.25SC..Hα-helixtrans-60.8-48172-178.764.3000111.3K119 F121 Y125 H126 R127K119-D123 PolarHBondContact O-N 2.86Å; F121-D123 VanDerWaalsContact C-N 3.31Å; F121-D123 PolarHBondContact O-N 3.4Å; D123-Y125 VanDerWaalsContact C-N 3.34Å; D123-Y125 PolarHBondContact O-N 2.99Å; D123-H126 PolarHBondContact O-N 3.49Å; D123-R127 WeakPolarHBondContact O-CB 3.45Å; D123-R127 WeakPolarHBondContact O-CG 3.44Å; D123-R127 PolarHBondContact O-N 3.42Å; D123-R127 VanDerWaalsContact OD2-CD 3.31Å; D123-R127 WeakPolarHBondContact OD2-CD 3.4Å; D123-R127 IonicContact OD2-NH1 2.8Å
124V94Very high93.8Very high3 Ų354.2 Ų54.22%0.01827%0.268CS..Hα-helixtrans-60.5-44.6176.9174.40000111M10 E120 F121 R127 L128 L265 V266 L269M10-V124 HydrophobicContact SD-CB 4.23Å; M10-V124 HydrophobicContact SD-CG1 4.12Å; M10-V124 HydrophobicContact SD-CG2 4.44Å; E120-V124 PolarHBondContact O-N 3.02Å; F121-V124 WeakPolarHBondContact O-CB 3.45Å; F121-V124 PolarHBondContact O-N 2.86Å; F121-V124 VanDerWaalsContact O-N 3.14Å; V124-R127 PolarHBondContact O-N 2.86Å; V124-L128 HydrophobicContact CG1-CD1 3.84Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 3.28Å; V124-L265 HydrophobicContact CG1-CD1 4.25Å; V124-L265 HydrophobicContact CG2-CB 4.45Å; V124-V266 HydrophobicContact CG2-CG2 3.93Å; V124-L269 HydrophobicContact CG1-CD1 4.29Å
125Y96.6Very high93.9Very high15 Ų1557.2 Ų57.26%0.05928%0.282CS..Hα-helixtrans-64-42.6178-64.4-35.2000112.3S2 M10 T18 N39 F121 D122 D123 L128 G129 I130 L133S2-Y125 WeakPolarHBondContact CB-OH 3.33Å; S2-Y125 WeakPolarHBondContact OG-CE1 3.22Å; S2-Y125 PolarHBondContact OG-OH 2.9Å; M10-Y125 HydrophobicContact CE-CE1 4.05Å; M10-Y125 HydrophobicContact SD-CE1 4.49Å; T18-Y125 HydrophobicContact CG2-CD1 4.21Å; T18-Y125 HydrophobicContact CG2-CE1 4.12Å; N39-Y125 PolarHBondContact ND2-OH 3.13Å; F121-Y125 HydrophobicContact CB-CD2 4.27Å; F121-Y125 HydrophobicContact CB-CE2 3.68Å; F121-Y125 WeakPolarHBondContact O-CD2 3.26Å; F121-Y125 VanDerWaalsContact O-CG 3.24Å; F121-Y125 PolarHBondContact O-N 3.35Å; D122-Y125 PolarHBondContact O-N 2.88Å; D123-Y125 VanDerWaalsContact C-N 3.34Å; D123-Y125 PolarHBondContact O-N 2.99Å; Y125-L128 CarbonylContact O-C 3.59Å; Y125-L128 PolarHBondContact O-N 2.89Å; Y125-G129 PolarHBondContact O-N 3.1Å; Y125-I130 HydrophobicContact CD1-CB 4.22Å; Y125-I130 HydrophobicContact CD1-CG1 4.13Å; Y125-I130 HydrophobicContact CD1-CG2 4.45Å; Y125-I130 HydrophobicContact CG-CB 4.43Å; Y125-I130 PolarHBondContact O-N 2.89Å; Y125-L133 HydrophobicContact CD1-CD2 4.24Å; Y125-L133 HydrophobicContact CD2-CD2 4.3Å; Y125-L133 HydrophobicContact CE1-CD2 3.91Å; Y125-L133 HydrophobicContact CE2-CD2 3.97Å; Y125-L133 HydrophobicContact CG-CD2 4.45Å
126H95.1Very high94.1Very high156 Ų15655.7 Ų55.772%0.72227%0.271SS*.Hα-helixtrans-61.6-48.6176.7-178.367.5000111.4D122 D123 L128 G129D122-H126 VanDerWaalsContact O-CB 3.27Å; D122-H126 WeakPolarHBondContact O-CB 3.38Å; D122-H126 PolarHBondContact O-N 2.83Å; D123-H126 PolarHBondContact O-N 3.49Å; H126-L128 VanDerWaalsContact C-N 3.28Å; H126-L128 PolarHBondContact O-N 3.22Å; H126-G129 PolarHBondContact O-N 2.88Å
127R94.7Very high94.3Very high28 Ų2854.7 Ų54.711%0.10627%0.266CS..Hα-helixtrans-60.6-37.8177.5-68171.367.1162.412.1112.2D123 V124 G129 L269 D270 Y303D123-R127 WeakPolarHBondContact O-CB 3.45Å; D123-R127 WeakPolarHBondContact O-CG 3.44Å; D123-R127 PolarHBondContact O-N 3.42Å; D123-R127 VanDerWaalsContact OD2-CD 3.31Å; D123-R127 WeakPolarHBondContact OD2-CD 3.4Å; D123-R127 IonicContact OD2-NH1 2.8Å; V124-R127 PolarHBondContact O-N 2.86Å; R127-G129 VanDerWaalsContact C-N 3.3Å; R127-G129 PolarHBondContact O-N 3.26Å; R127-L269 HydrophobicContact CB-CD1 4.19Å; R127-L269 PolarHBondContact NH2-O 3.1Å; R127-D270 IonicContact CZ-OD1 2.67Å; R127-D270 IonicContact NH1-OD1 3.11Å; R127-D270 PolarHBondContact NH1-OD1 3.46Å; R127-D270 VanDerWaalsContact NH2-N 3.15Å; R127-D270 IonicContact NH2-OD1 3.17Å; R127-D270 PolarHBondContact NH2-OD1 2.95Å; R127-Y303 HydrophobicContact CB-CE1 4.44Å; R127-Y303 HydrophobicContact CB-CE2 4.32Å; R127-Y303 PolarHBondContact NE-OH 2.87Å; R127-Y303 WeakPolarHBondContact O-CD2 3.27Å; R127-Y303 WeakPolarHBondContact O-CE2 3.31Å
128L95.9Very high94.4Very high1 Ų155.8 Ų55.81%0.00527%0.271CS..THydrogen-bonded Turntrans-83.91.6176.6-67.6175.8000113.6L15 T18 V124 Y125 H126 I130 L269 K307L15-L128 HydrophobicContact CD1-CD1 3.49Å; L15-L128 VanDerWaalsContact CD1-CD1 3.49Å; L15-L128 HydrophobicContact CD1-CD2 4.32Å; T18-L128 HydrophobicContact CG2-CD1 4.32Å; V124-L128 HydrophobicContact CG1-CD1 3.84Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 3.28Å; Y125-L128 CarbonylContact O-C 3.59Å; Y125-L128 PolarHBondContact O-N 2.89Å; H126-L128 VanDerWaalsContact C-N 3.28Å; H126-L128 PolarHBondContact O-N 3.22Å; L128-I130 VanDerWaalsContact C-N 3.3Å; L128-I130 HydrophobicContact CB-CD1 3.97Å; L128-I130 HydrophobicContact CB-CG1 3.76Å; L128-I130 PolarHBondContact O-N 2.9Å; L128-L269 HydrophobicContact CD2-CD2 3.87Å; L128-L269 HydrophobicContact CG-CD1 4.45Å; L128-L269 HydrophobicContact CG-CD2 4.49Å; L128-K307 WeakPolarHBondContact O-CE 3.48Å; L128-K307 PolarHBondContact O-NZ 3.37Å
129G96Very high94.5Very high27 Ų2754 Ų5428%0.27827%0.27SS..THydrogen-bonded Turntrans60.737.5-179.700000113.4R26 Y125 H126 R127R26-G129 PolarHBondContact NH2-O 3.2Å; Y125-G129 PolarHBondContact O-N 3.1Å; H126-G129 PolarHBondContact O-N 2.88Å; R127-G129 VanDerWaalsContact C-N 3.3Å; R127-G129 PolarHBondContact O-N 3.26Å
130I97.2Very high94.8Very high15 Ų1550.5 Ų50.58%0.07725%0.254CS..  trans-89.9112.5176.9-44.8-58.3000108.2M1 T18 E22 Y125 L128 L133M1-I130 HydrophobicContact CE-CG2 4.26Å; T18-I130 HydrophobicContact CG2-CD1 3.84Å; T18-I130 HydrophobicContact CG2-CG1 3.75Å; E22-I130 HydrophobicContact CB-CD1 3.72Å; E22-I130 HydrophobicContact CG-CD1 3.65Å; Y125-I130 HydrophobicContact CD1-CB 4.22Å; Y125-I130 HydrophobicContact CD1-CG1 4.13Å; Y125-I130 HydrophobicContact CD1-CG2 4.45Å; Y125-I130 HydrophobicContact CG-CB 4.43Å; Y125-I130 PolarHBondContact O-N 2.89Å; L128-I130 VanDerWaalsContact C-N 3.3Å; L128-I130 HydrophobicContact CB-CD1 3.97Å; L128-I130 HydrophobicContact CB-CG1 3.76Å; L128-I130 PolarHBondContact O-N 2.9Å; I130-L133 HydrophobicContact CG2-CB 4.12Å; I130-L133 HydrophobicContact CG2-CD2 4.11Å
131E93Very high95.1Very high122 Ų12247.7 Ų47.757%0.5724%0.241SC*.  trans-111.9159.7-177.1-63.8-179.8176.700111.3K37 L133K37-E131 WeakPolarHBondContact CE-O 3.43Å; K37-E131 PolarHBondContact NZ-O 3.35Å; E131-L133 PolarHBondContact O-N 2.7Å
132N95Very high94.9Very high130 Ų13048.7 Ų48.770%0.69525%0.246SC*.SBendtrans52.928.2172.7-55.2-49.4000114.8I134N132-I134 PolarHBondContact O-N 3.03Å
133L97Very high94.8Very high34 Ų3448.1 Ų48.118%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-83.4110.3174.5179.162.9000108.5M1 K37 N39 Y125 I130 E131M1-L133 HydrophobicContact CE-CD1 4.49Å; M1-L133 HydrophobicContact CG-CD1 4.04Å; M1-L133 HydrophobicContact SD-CD1 4.33Å; K37-L133 HydrophobicContact CB-CD1 3.96Å; N39-L133 HydrophobicContact CB-CD1 3.88Å; N39-L133 HydrophobicContact CB-CD2 4.02Å; N39-L133 HydrophobicContact CB-CG 3.81Å; Y125-L133 HydrophobicContact CD1-CD2 4.24Å; Y125-L133 HydrophobicContact CD2-CD2 4.3Å; Y125-L133 HydrophobicContact CE1-CD2 3.91Å; Y125-L133 HydrophobicContact CE2-CD2 3.97Å; Y125-L133 HydrophobicContact CG-CD2 4.45Å; I130-L133 HydrophobicContact CG2-CB 4.12Å; I130-L133 HydrophobicContact CG2-CD2 4.11Å; E131-L133 PolarHBondContact O-N 2.7Å
134I97.5Very high94.9Very high77 Ų7748 Ų4840%0.39524%0.243SC..EExtended strand (participates in β ladder)trans-90.1121.7-174.9-55.3-171.6000109.7L36 K37 L38 N39 N132 R136L36-I134 HydrophobicContact CD1-CD1 3.66Å; L36-I134 HydrophobicContact CD1-CG1 4.44Å; K37-I134 PolarHBondContact O-N 3.25Å; L38-I134 WeakPolarHBondContact CA-O 3.35Å; L38-I134 HydrophobicContact CD2-CB 4.24Å; N39-I134 PolarHBondContact N-O 2.72Å; N132-I134 PolarHBondContact O-N 3.03Å; I134-R136 HydrophobicContact CG2-CG 4.3Å; I134-R136 PolarHBondContact O-N 3.35Å
135E96.1Very high94.9Very high65 Ų6548.2 Ų48.230%0.30424%0.244SC..EExtended strand (participates in β ladder)trans-67.7119.8173-177.5174.3136.200111.2L41 R118L41-E135 HydrophobicContact CD1-CG 3.53Å; L41-E135 WeakPolarHBondContact CD1-OE2 3.36Å; L41-E135 HydrophobicContact CG-CG 4.1Å; R118-E135 WeakPolarHBondContact CD-OE2 3.49Å; R118-E135 IonicContact CZ-OE1 2.73Å; R118-E135 IonicContact CZ-OE2 3.35Å; R118-E135 IonicContact NE-OE1 2.72Å; R118-E135 PolarHBondContact NE-OE1 2.88Å; R118-E135 IonicContact NE-OE2 3.28Å; R118-E135 PolarHBondContact NE-OE2 3.09Å; R118-E135 IonicContact NH2-OE1 3.62Å; R118-E135 PolarHBondContact NH2-OE1 2.76Å; R118-E135 IonicContact NH2-OE2 3.46Å
136R96.7Very high94.7Very high40 Ų4052.2 Ų52.215%0.15126%0.263CS..  trans-145.477.2168.6-66.6-170-164.5166.3-3.5109.2L38 N39 H40 I134 E202L38-R136 HydrophobicContact CD2-CB 4.5Å; L38-R136 HydrophobicContact CD2-CG 4.15Å; N39-R136 CarbonylContact O-C 3.57Å; N39-R136 PolarHBondContact O-N 3.44Å; H40-R136 WeakPolarHBondContact CA-O 3.41Å; H40-R136 PolarHBondContact ND1-O 3Å; I134-R136 HydrophobicContact CG2-CG 4.3Å; I134-R136 PolarHBondContact O-N 3.35Å; R136-E202 IonicContact CZ-OE1 3.44Å; R136-E202 IonicContact NH1-OE1 2.79Å; R136-E202 PolarHBondContact NH1-OE1 2.94Å; R136-E202 IonicContact NH2-OE1 2.84Å; R136-E202 PolarHBondContact NH2-OE1 2.9Å
137G95.4Very high94.7Very high1 Ų151.8 Ų51.81%0.0126%0.261CS..  trans-67.8177.6175.900000113.5L41 D43 S139 F140 Y141L41-G137 CarbonylContact O-C 3.46Å; L41-G137 WeakPolarHBondContact O-CA 3.22Å; D43-G137 VanDerWaalsContact OD1-C 3.26Å; D43-G137 WeakPolarHBondContact OD1-CA 3.45Å; G137-S139 PolarHBondContact O-N 3.12Å; G137-F140 WeakPolarHBondContact O-CB 3.48Å; G137-F140 PolarHBondContact O-N 3.05Å; G137-F140 VanDerWaalsContact O-N 3.14Å; G137-Y141 WeakPolarHBondContact O-CD2 3.36Å; G137-Y141 WeakPolarHBondContact O-CE2 3.38Å
138E94.1Very high94.7Very high24 Ų2450.8 Ų50.811%0.11226%0.258CS..G310 helixtrans-53.2-34.4175.4-68.7176.7-151.500112.5L41 D43 W44 F140 Y141 Y187L41-E138 PolarHBondContact O-N 3.48Å; D43-E138 PolarHBondContact OD1-N 2.85Å; W44-E138 HydrophobicContact CB-CB 3.78Å; E138-F140 PolarHBondContact O-N 2.81Å; E138-Y141 PolarHBondContact O-N 3.19Å; E138-Y187 VanDerWaalsContact OE1-CE1 3.29Å; E138-Y187 WeakPolarHBondContact OE1-CE1 3.4Å
139S93.9Very high94.7Very high31 Ų3150.9 Ų50.922%0.21726%0.258CS..G310 helixtrans-58-33.1178.973.70000113.2D43 G137 Y141 Q142D43-S139 VanDerWaalsContact CG-OG 3.28Å; D43-S139 WeakPolarHBondContact OD1-CB 3.38Å; D43-S139 PolarHBondContact OD1-N 3.24Å; D43-S139 PolarHBondContact OD1-OG 2.88Å; D43-S139 VanDerWaalsContact OD2-CB 3.31Å; D43-S139 WeakPolarHBondContact OD2-CB 3.48Å; D43-S139 PolarHBondContact OD2-OG 3.11Å; G137-S139 PolarHBondContact O-N 3.12Å; S139-Y141 PolarHBondContact O-N 3.4Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 3.07Å
140F95.3Very high94.7Very high75 Ų7554.3 Ų54.333%0.32927%0.27SS..G310 helixtrans-62.6-28.7178.7178.4-95000112.7G137 E138 R144 Q197G137-F140 WeakPolarHBondContact O-CB 3.48Å; G137-F140 PolarHBondContact O-N 3.05Å; G137-F140 VanDerWaalsContact O-N 3.14Å; E138-F140 PolarHBondContact O-N 2.81Å; F140-R144 PolarHBondContact O-NH1 3.16Å; F140-Q197 HydrophobicContact CE1-CG 4.34Å
141Y95.3Very high94.6Very high0 Ų056.5 Ų56.50%028%0.282CS..G310 helixtrans-95.5-1.6-176.2-49.4-85.3000112.5H40 G137 E138 S139 S143 R144 M145 A194 Q197H40-Y141 AromaticContact CE1-CD2 3.83Å; H40-Y141 AromaticContact CE1-CE2 3.36Å; H40-Y141 WeakPolarHBondContact CE1-CE2 3.46Å; H40-Y141 AromaticContact ND1-CE2 3.56Å; G137-Y141 WeakPolarHBondContact O-CD2 3.36Å; G137-Y141 WeakPolarHBondContact O-CE2 3.38Å; E138-Y141 PolarHBondContact O-N 3.19Å; S139-Y141 PolarHBondContact O-N 3.4Å; Y141-S143 PolarHBondContact O-N 3.16Å; Y141-R144 CarbonylContact O-C 3.51Å; Y141-R144 WeakPolarHBondContact O-CA 3.13Å; Y141-R144 WeakPolarHBondContact O-CB 3.38Å; Y141-R144 PolarHBondContact O-N 3.38Å; Y141-M145 WeakPolarHBondContact O-CG 3.43Å; Y141-M145 PolarHBondContact O-N 3.42Å; Y141-A194 HydrophobicContact CD1-CB 3.93Å; Y141-A194 HydrophobicContact CD2-CB 4.3Å; Y141-A194 HydrophobicContact CE1-CB 3.59Å; Y141-A194 HydrophobicContact CE2-CB 4.02Å; Y141-A194 HydrophobicContact CG-CB 4.27Å; Y141-Q197 HydrophobicContact CD1-CB 4.31Å; Y141-Q197 HydrophobicContact CD1-CG 4.48Å; Y141-Q197 HydrophobicContact CE1-CB 4.03Å; Y141-Q197 HydrophobicContact CE1-CG 4.11Å
142Q90.1Very high94.8Very high26 Ų2650.7 Ų50.712%0.12126%0.255CS..Hα-helixtrans-56.6-49.5-172.4-174.5-91.5-24.600113.5W44 S139 R144 M145 E146W44-Q142 HydrophobicContact CZ2-CG 3.96Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 3.07Å; Q142-R144 VanDerWaalsContact C-N 3.3Å; Q142-R144 PolarHBondContact O-N 2.94Å; Q142-M145 HydrophobicContact CB-CE 4.36Å; Q142-M145 PolarHBondContact O-N 3.35Å; Q142-E146 PolarHBondContact NE2-OE1 2.97Å
143S90.2Very high94.9Very high71 Ų7149.4 Ų49.450%0.49724%0.243SC..Hα-helixtrans-66.5-32.7176.657.40000113Y141Y141-S143 PolarHBondContact O-N 3.16Å
144R94.8Very high94.8Very high67 Ų6752 Ų5225%0.25327%0.265SS..Hα-helixtrans-72.8-31.3178.4-66.3174.5172.273.6-1.3112.2F140 Y141 Q142 E146 E147 F148 T193 E201F140-R144 PolarHBondContact O-NH1 3.16Å; Y141-R144 CarbonylContact O-C 3.51Å; Y141-R144 WeakPolarHBondContact O-CA 3.13Å; Y141-R144 WeakPolarHBondContact O-CB 3.38Å; Y141-R144 PolarHBondContact O-N 3.38Å; Q142-R144 VanDerWaalsContact C-N 3.3Å; Q142-R144 PolarHBondContact O-N 2.94Å; R144-E146 VanDerWaalsContact C-N 3.29Å; R144-E146 PolarHBondContact O-N 3.31Å; R144-E147 PolarHBondContact O-N 3.31Å; R144-F148 WeakPolarHBondContact O-CB 3.29Å; R144-F148 PolarHBondContact O-N 3.45Å; R144-T193 HydrophobicContact CB-CG2 3.58Å; R144-E201 IonicContact CZ-OE1 2.75Å; R144-E201 IonicContact CZ-OE2 3.11Å; R144-E201 IonicContact NE-OE1 2.69Å; R144-E201 PolarHBondContact NE-OE1 3.13Å; R144-E201 IonicContact NE-OE2 3.35Å; R144-E201 IonicContact NH2-OE1 3.05Å; R144-E201 PolarHBondContact NH2-OE1 3.27Å; R144-E201 IonicContact NH2-OE2 3.44Å; R144-E201 PolarHBondContact NH2-OE2 2.97Å
145M94.3Very high94.7Very high7 Ų752.3 Ų52.33%0.03426%0.264CS..Hα-helixtrans-63.6-36.1177.3-74.8-169.4-72.900111.5Y141 Q142 F148 V149 F185 T189 S190 T193Y141-M145 WeakPolarHBondContact O-CG 3.43Å; Y141-M145 PolarHBondContact O-N 3.42Å; Q142-M145 HydrophobicContact CB-CE 4.36Å; Q142-M145 PolarHBondContact O-N 3.35Å; M145-F148 PolarHBondContact O-N 3.11Å; M145-V149 WeakPolarHBondContact O-CB 3.39Å; M145-V149 VanDerWaalsContact O-CG2 3.26Å; M145-V149 WeakPolarHBondContact O-CG2 3.42Å; M145-V149 PolarHBondContact O-N 2.69Å; M145-F185 HydrophobicContact CB-CD2 3.65Å; M145-F185 HydrophobicContact CB-CE2 3.69Å; M145-F185 HydrophobicContact CB-CG 4.39Å; M145-F185 HydrophobicContact CB-CZ 4.46Å; M145-F185 HydrophobicContact CE-CD2 4.08Å; M145-F185 HydrophobicContact CG-CD2 4.48Å; M145-F185 HydrophobicContact SD-CB 4.14Å; M145-F185 HydrophobicContact SD-CD2 4.09Å; M145-F185 HydrophobicContact SD-CG 4.39Å; M145-T189 HydrophobicContact CB-CG2 4.12Å; M145-T189 HydrophobicContact CG-CG2 4.01Å; M145-T189 HydrophobicContact SD-CG2 3.9Å; M145-S190 VanDerWaalsContact SD-CA 3.58Å; M145-T193 HydrophobicContact CG-CG2 4.08Å
146E92Very high94.6Very high99 Ų9956 Ų5646%0.46329%0.286SS..Hα-helixtrans-64-47.7176.7-65.5-178.9-165.800111.8Q142 R144 N150 F185Q142-E146 PolarHBondContact NE2-OE1 2.97Å; R144-E146 VanDerWaalsContact C-N 3.29Å; R144-E146 PolarHBondContact O-N 3.31Å; E146-N150 VanDerWaalsContact O-CG 3.28Å; E146-N150 PolarHBondContact O-N 3.13Å; E146-N150 VanDerWaalsContact O-N 3.17Å; E146-N150 PolarHBondContact O-ND2 3.28Å; E146-N150 VanDerWaalsContact O-ND2 3.11Å; E146-F185 HydrophobicContact CG-CE2 3.78Å; E146-F185 HydrophobicContact CG-CZ 3.93Å
147E94.4Very high94.6Very high148 Ų14856.2 Ų56.269%0.69229%0.292SS*.Hα-helixtrans-62-46.4175.7-174.4175-174.900111.2R144 V149 N150 D151R144-E147 PolarHBondContact O-N 3.31Å; E147-V149 PolarHBondContact O-N 2.74Å; E147-N150 PolarHBondContact O-N 3.4Å; E147-D151 PolarHBondContact O-N 3.09Å
148F95.6Very high94.7Very high7 Ų757.3 Ų57.33%0.03130%0.297CS..Hα-helixtrans-56.2-49.3177.8175.4-101.5000112.8R144 M145 N150 D151 L152 T189 L192 T193 L196 Y231R144-F148 WeakPolarHBondContact O-CB 3.29Å; R144-F148 PolarHBondContact O-N 3.45Å; M145-F148 PolarHBondContact O-N 3.11Å; F148-N150 VanDerWaalsContact C-N 3.31Å; F148-N150 PolarHBondContact O-N 2.87Å; F148-D151 PolarHBondContact O-N 2.9Å; F148-L152 HydrophobicContact CD1-CD1 4.13Å; F148-L152 HydrophobicContact CE1-CD1 3.42Å; F148-L152 VanDerWaalsContact CE1-CD1 3.42Å; F148-L152 HydrophobicContact CE1-CG 4.15Å; F148-L152 HydrophobicContact CE2-CD1 4.42Å; F148-L152 HydrophobicContact CE2-CG 4.47Å; F148-L152 HydrophobicContact CZ-CD1 3.57Å; F148-L152 HydrophobicContact CZ-CD2 4.36Å; F148-L152 HydrophobicContact CZ-CG 4.09Å; F148-L152 WeakPolarHBondContact O-CG 3.36Å; F148-L152 PolarHBondContact O-N 2.86Å; F148-T189 HydrophobicContact CD1-CG2 4.32Å; F148-L192 HydrophobicContact CE1-CB 3.95Å; F148-L192 HydrophobicContact CE1-CD1 4.29Å; F148-L192 HydrophobicContact CE2-CB 4.28Å; F148-L192 HydrophobicContact CZ-CB 3.5Å; F148-L192 VanDerWaalsContact CZ-CB 3.5Å; F148-L192 HydrophobicContact CZ-CD1 4.01Å; F148-L192 HydrophobicContact CZ-CG 4.32Å; F148-T193 HydrophobicContact CB-CG2 4.4Å; F148-T193 WeakPolarHBondContact CD1-OG1 3.48Å; F148-T193 WeakPolarHBondContact CG-OG1 3.13Å; F148-L196 HydrophobicContact CD2-CD2 3.91Å; F148-L196 HydrophobicContact CE2-CD2 4.27Å; F148-Y231 AromaticContact CE2-CE2 3.59Å; F148-Y231 HydrophobicContact CE2-CE2 3.59Å; F148-Y231 AromaticContact CE2-CZ 3.69Å; F148-Y231 WeakPolarHBondContact CE2-OH 3.48Å; F148-Y231 HydrophobicContact CZ-CE2 4.21Å
149V95.7Very high94.9Very high3 Ų361.4 Ų61.42%0.01832%0.316CS..Hα-helixtrans-65.4-37.2-1801700000111.4M145 E147 L152 K153 V178 V179 F185 T189M145-V149 WeakPolarHBondContact O-CB 3.39Å; M145-V149 VanDerWaalsContact O-CG2 3.26Å; M145-V149 WeakPolarHBondContact O-CG2 3.42Å; M145-V149 PolarHBondContact O-N 2.69Å; E147-V149 PolarHBondContact O-N 2.74Å; V149-L152 PolarHBondContact O-N 3.25Å; V149-K153 HydrophobicContact CG1-CD 4.31Å; V149-K153 WeakPolarHBondContact O-CG 3.19Å; V149-K153 PolarHBondContact O-N 3.2Å; V149-V178 HydrophobicContact CG2-CG1 3.64Å; V149-V179 HydrophobicContact CG1-CG2 3.62Å; V149-V179 HydrophobicContact CG2-CG2 4.3Å; V149-F185 HydrophobicContact CB-CE1 4.15Å; V149-F185 HydrophobicContact CG1-CE1 4.33Å; V149-F185 HydrophobicContact CG2-CD1 4.06Å; V149-F185 HydrophobicContact CG2-CE1 3.65Å; V149-F185 HydrophobicContact CG2-CZ 4.26Å; V149-T189 HydrophobicContact CG2-CG2 3.72Å
150N95.5Very high95Very high98 Ų9867.4 Ų67.452%0.52434%0.341SS..Hα-helixtrans-66.6-38.8176.2-71.4-29.3000111.9E146 E147 F148 K153 S154E146-N150 VanDerWaalsContact O-CG 3.28Å; E146-N150 PolarHBondContact O-N 3.13Å; E146-N150 VanDerWaalsContact O-N 3.17Å; E146-N150 PolarHBondContact O-ND2 3.28Å; E146-N150 VanDerWaalsContact O-ND2 3.11Å; E147-N150 PolarHBondContact O-N 3.4Å; F148-N150 VanDerWaalsContact C-N 3.31Å; F148-N150 PolarHBondContact O-N 2.87Å; N150-K153 PolarHBondContact O-N 2.94Å; N150-S154 PolarHBondContact O-N 3.42Å
151D95.9Very high95Very high62 Ų6266.7 Ų66.733%0.33234%0.34SS..Hα-helixtrans-61.5-48.8174-177.738000111.3E147 F148 K153 S154 Q155E147-D151 PolarHBondContact O-N 3.09Å; F148-D151 PolarHBondContact O-N 2.9Å; D151-K153 VanDerWaalsContact C-N 3.31Å; D151-K153 PolarHBondContact O-N 3.2Å; D151-S154 WeakPolarHBondContact O-CA 3.5Å; D151-S154 WeakPolarHBondContact O-CB 3.47Å; D151-S154 PolarHBondContact O-N 3.22Å; D151-S154 PolarHBondContact O-OG 2.94Å; D151-Q155 WeakPolarHBondContact O-CG 3.37Å; D151-Q155 PolarHBondContact O-N 2.85Å; D151-Q155 PolarHBondContact OD1-NE2 3.32Å; D151-Q155 PolarHBondContact OD2-NE2 3.04Å
152L96.8Very high95Very high0 Ų074.4 Ų74.40%038%0.376CS..Hα-helixtrans-58.7-39.9175.8-66.8-172.1000113.2F148 V149 S154 Q155 N156 V157 L158 V178 L229F148-L152 HydrophobicContact CD1-CD1 4.13Å; F148-L152 HydrophobicContact CE1-CD1 3.42Å; F148-L152 VanDerWaalsContact CE1-CD1 3.42Å; F148-L152 HydrophobicContact CE1-CG 4.15Å; F148-L152 HydrophobicContact CE2-CD1 4.42Å; F148-L152 HydrophobicContact CE2-CG 4.47Å; F148-L152 HydrophobicContact CZ-CD1 3.57Å; F148-L152 HydrophobicContact CZ-CD2 4.36Å; F148-L152 HydrophobicContact CZ-CG 4.09Å; F148-L152 WeakPolarHBondContact O-CG 3.36Å; F148-L152 PolarHBondContact O-N 2.86Å; V149-L152 PolarHBondContact O-N 3.25Å; L152-S154 VanDerWaalsContact C-N 3.33Å; L152-Q155 PolarHBondContact O-N 3.42Å; L152-N156 PolarHBondContact O-N 2.94Å; L152-V157 HydrophobicContact CB-CG2 4.17Å; L152-V157 HydrophobicContact CD2-CG2 3.96Å; L152-V157 WeakPolarHBondContact O-CG2 2.92Å; L152-L158 HydrophobicContact CB-CD1 3.81Å; L152-L158 HydrophobicContact CB-CD2 4.3Å; L152-L158 HydrophobicContact CB-CG 3.98Å; L152-L158 HydrophobicContact CD1-CD2 4.15Å; L152-V178 HydrophobicContact CD1-CG1 4.17Å; L152-V178 HydrophobicContact CD1-CG2 4.39Å; L152-L229 HydrophobicContact CD2-CD1 3.7Å; L152-L229 HydrophobicContact CD2-CD2 3.5Å; L152-L229 HydrophobicContact CD2-CG 4.23Å
153K95.6Very high95.1Very high102 Ų10275 Ų7544%0.44339%0.39SS..Hα-helixtrans-62.2-41.8173.6-741711801730111.3V149 N150 D151 Q155 N156 L158 L165V149-K153 HydrophobicContact CG1-CD 4.31Å; V149-K153 WeakPolarHBondContact O-CG 3.19Å; V149-K153 PolarHBondContact O-N 3.2Å; N150-K153 PolarHBondContact O-N 2.94Å; D151-K153 VanDerWaalsContact C-N 3.31Å; D151-K153 PolarHBondContact O-N 3.2Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 3.07Å; K153-N156 PolarHBondContact O-N 3.16Å; K153-N156 VanDerWaalsContact O-N 3.14Å; K153-L158 HydrophobicContact CG-CD1 3.89Å; K153-L165 HydrophobicContact CD-CD1 4.43Å; K153-L165 HydrophobicContact CG-CD1 4.41Å
154S96Very high95.4Very high90 Ų9074.7 Ų74.763%0.62938%0.378SS*.Hα-helixtrans-67.5-32.6-17982.60000113.2N150 D151 L152 N156N150-S154 PolarHBondContact O-N 3.42Å; D151-S154 WeakPolarHBondContact O-CA 3.5Å; D151-S154 WeakPolarHBondContact O-CB 3.47Å; D151-S154 PolarHBondContact O-N 3.22Å; D151-S154 PolarHBondContact O-OG 2.94Å; L152-S154 VanDerWaalsContact C-N 3.33Å; S154-N156 PolarHBondContact O-N 3.24Å
155Q95.4Very high95.6Very high83 Ų8373.2 Ų73.239%0.38838%0.375SS..THydrogen-bonded Turntrans-77.1-7.5175.1-65177.539.400113.1D151 L152 K153 V157D151-Q155 WeakPolarHBondContact O-CG 3.37Å; D151-Q155 PolarHBondContact O-N 2.85Å; D151-Q155 PolarHBondContact OD1-NE2 3.32Å; D151-Q155 PolarHBondContact OD2-NE2 3.04Å; L152-Q155 PolarHBondContact O-N 3.42Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 3.07Å; Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 HydrophobicContact CB-CG1 4.06Å; Q155-V157 HydrophobicContact CB-CG2 4.29Å; Q155-V157 PolarHBondContact O-N 3.36Å
156N94.7Very high95.8Very high141 Ų14173.1 Ų73.175%0.75437%0.374SS*.THydrogen-bonded Turntrans55.936.9-180-15939.3000113.6L152 K153 S154L152-N156 PolarHBondContact O-N 2.94Å; K153-N156 PolarHBondContact O-N 3.16Å; K153-N156 VanDerWaalsContact O-N 3.14Å; S154-N156 PolarHBondContact O-N 3.24Å
157V96.6Very high96Very high46 Ų4668.4 Ų68.428%0.27935%0.352SS..  trans-94.6-11.5179.5-65.90000113.3L152 Q155 L167 L229L152-V157 HydrophobicContact CB-CG2 4.17Å; L152-V157 HydrophobicContact CD2-CG2 3.96Å; L152-V157 WeakPolarHBondContact O-CG2 2.92Å; Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 HydrophobicContact CB-CG1 4.06Å; Q155-V157 HydrophobicContact CB-CG2 4.29Å; Q155-V157 PolarHBondContact O-N 3.36Å; V157-L167 HydrophobicContact CB-CD1 4.02Å; V157-L167 HydrophobicContact CG2-CD1 3.95Å; V157-L167 WeakPolarHBondContact O-CD1 3.5Å; V157-L229 HydrophobicContact CB-CD2 4.46Å; V157-L229 HydrophobicContact CG1-CD2 4.44Å; V157-L229 HydrophobicContact CG2-CD2 3.89Å
158L97.2Very high96.2Very high23 Ų2366.3 Ų66.312%0.1234%0.338CS..  trans-89.9142.2179.8-60.3175.2000111.2L152 K153 L165 I166 L167 V178L152-L158 HydrophobicContact CB-CD1 3.81Å; L152-L158 HydrophobicContact CB-CD2 4.3Å; L152-L158 HydrophobicContact CB-CG 3.98Å; L152-L158 HydrophobicContact CD1-CD2 4.15Å; K153-L158 HydrophobicContact CG-CD1 3.89Å; L158-L165 HydrophobicContact CD1-CB 4.25Å; L158-L165 HydrophobicContact CD1-CD1 4.26Å; L158-I166 CarbonylContact C-O 3.35Å; L158-I166 WeakPolarHBondContact CA-O 3.42Å; L158-L167 HydrophobicContact CD2-CB 4.04Å; L158-L167 HydrophobicContact CD2-CD1 4.14Å; L158-V178 HydrophobicContact CD2-CB 4.26Å; L158-V178 HydrophobicContact CD2-CG2 3.89Å
159Q96.8Very high96.2Very high111 Ų11166.2 Ų66.252%0.51934%0.338SS..EExtended strand (participates in β ladder)trans-107.2146.7170.1-65.6-177.82.600110.1L165 I166 W168Q159-L165 WeakPolarHBondContact O-CA 3.46Å; Q159-I166 HydrophobicContact CB-CG1 3.99Å; Q159-I166 PolarHBondContact N-O 3.43Å; Q159-I166 WeakPolarHBondContact O-CG1 3.49Å; Q159-I166 PolarHBondContact O-N 3.49Å; Q159-W168 VanDerWaalsContact OE1-CD1 3.28Å
160E96.5Very high96.2Very high157 Ų15769.5 Ų69.573%0.73436%0.36SS*.EExtended strand (participates in β ladder)trans-89.7129.6172.9-166.4174.8170.400110R164 L165E160-R164 CarbonylContact C-O 3.56Å; E160-R164 WeakPolarHBondContact CA-O 3.39Å; E160-L165 HydrophobicContact CB-CD2 4.39Å; E160-L165 HydrophobicContact CG-CD2 4.47Å
161D95.7Very high96Very high59 Ų5975.5 Ų75.532%0.31638%0.381SS..EExtended strand (participates in β ladder)trans-141109.1179179.533.7000109.8G163 R164 I166D161-G163 PolarHBondContact O-N 3.28Å; D161-R164 PolarHBondContact N-O 3.29Å; D161-R164 WeakPolarHBondContact O-CA 3.38Å; D161-R164 WeakPolarHBondContact O-CB 3.31Å; D161-R164 PolarHBondContact O-N 3.05Å; D161-R164 PolarHBondContact O-NE 2.95Å; D161-R164 IonicContact OD2-CZ 3.26Å; D161-R164 IonicContact OD2-NH1 2.77Å; D161-R164 IonicContact OD2-NH2 2.89Å; D161-R164 PolarHBondContact OD2-NH2 3.25Å; D161-I166 HydrophobicContact CB-CD1 3.66Å; D161-I166 HydrophobicContact CB-CG1 4.13Å; D161-I166 HydrophobicContact CB-CG2 4.35Å
162E94.4Very high95.9Very high162 Ų16274 Ų7476%0.75738%0.375SS*.THydrogen-bonded Turntrans52.240.4-178.2-58.9177.915200113.5R164E162-R164 PolarHBondContact O-N 3.28Å; E162-R164 IonicContact OE2-NH2 3.36Å; E162-R164 PolarHBondContact OE2-NH2 2.81Å
163G94.1Very high95.8Very high40 Ų4083 Ų8341%0.41242%0.417SS..THydrogen-bonded Turntrans75.8-0.1-17700000114.7D161 S181D161-G163 PolarHBondContact O-N 3.28Å; G163-S181 WeakPolarHBondContact O-CA 3.12Å
164R96.6Very high95.8Very high63 Ų6381.5 Ų81.524%0.23842%0.417CS..EExtended strand (participates in β ladder)trans-88154.5170.2-57.1174.8-77140.3-2.4109.8E160 D161 E162 I166 T177 V179E160-R164 CarbonylContact C-O 3.56Å; E160-R164 WeakPolarHBondContact CA-O 3.39Å; D161-R164 PolarHBondContact N-O 3.29Å; D161-R164 WeakPolarHBondContact O-CA 3.38Å; D161-R164 WeakPolarHBondContact O-CB 3.31Å; D161-R164 PolarHBondContact O-N 3.05Å; D161-R164 PolarHBondContact O-NE 2.95Å; D161-R164 IonicContact OD2-CZ 3.26Å; D161-R164 IonicContact OD2-NH1 2.77Å; D161-R164 IonicContact OD2-NH2 2.89Å; D161-R164 PolarHBondContact OD2-NH2 3.25Å; E162-R164 PolarHBondContact O-N 3.28Å; E162-R164 IonicContact OE2-NH2 3.36Å; E162-R164 PolarHBondContact OE2-NH2 2.81Å; R164-I166 HydrophobicContact CB-CG2 4.38Å; R164-T177 HydrophobicContact CB-CG2 4.28Å; R164-V179 CarbonylContact C-O 3.41Å; R164-V179 VanDerWaalsContact CA-O 3.25Å; R164-V179 WeakPolarHBondContact CA-O 3.38Å; R164-V179 WeakPolarHBondContact CB-O 3.36Å
165L97.6Very high95.8Very high37 Ų3779 Ų7919%0.19440%0.398CS..EExtended strand (participates in β ladder)trans-104.2120.1167.8-59.6178.4000109.3K153 L158 Q159 E160 V178 V179K153-L165 HydrophobicContact CD-CD1 4.43Å; K153-L165 HydrophobicContact CG-CD1 4.41Å; L158-L165 HydrophobicContact CD1-CB 4.25Å; L158-L165 HydrophobicContact CD1-CD1 4.26Å; Q159-L165 WeakPolarHBondContact O-CA 3.46Å; E160-L165 HydrophobicContact CB-CD2 4.39Å; E160-L165 HydrophobicContact CG-CD2 4.47Å; L165-V178 PolarHBondContact O-N 3.46Å; L165-V179 HydrophobicContact CB-CB 3.95Å; L165-V179 HydrophobicContact CB-CG2 4.18Å; L165-V179 HydrophobicContact CD1-CB 4.11Å; L165-V179 HydrophobicContact CD1-CG2 3.94Å; L165-V179 HydrophobicContact CG-CB 4.16Å; L165-V179 HydrophobicContact CG-CG2 4.44Å; L165-V179 PolarHBondContact N-O 2.98Å; L165-V179 PolarHBondContact O-N 2.87Å; L165-V179 VanDerWaalsContact O-N 3.15Å
166I97.9Very high95.9Very high4 Ų475.2 Ų75.22%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-118.4148.1-176.165.8171.2000111.7L158 Q159 D161 R164 W168 P175 L176L158-I166 CarbonylContact C-O 3.35Å; L158-I166 WeakPolarHBondContact CA-O 3.42Å; Q159-I166 HydrophobicContact CB-CG1 3.99Å; Q159-I166 PolarHBondContact N-O 3.43Å; Q159-I166 WeakPolarHBondContact O-CG1 3.49Å; Q159-I166 PolarHBondContact O-N 3.49Å; D161-I166 HydrophobicContact CB-CD1 3.66Å; D161-I166 HydrophobicContact CB-CG1 4.13Å; D161-I166 HydrophobicContact CB-CG2 4.35Å; R164-I166 HydrophobicContact CB-CG2 4.38Å; I166-W168 HydrophobicContact CD1-CZ2 4.41Å; I166-W168 VanDerWaalsContact CD1-NE1 3.32Å; I166-P175 HydrophobicContact CB-CB 4.17Å; I166-P175 HydrophobicContact CD1-CB 4.16Å; I166-P175 HydrophobicContact CD1-CG 4.24Å; I166-L176 CarbonylContact C-O 3.47Å; I166-L176 WeakPolarHBondContact CA-O 3.43Å
167L97.7Very high96.1Very high0 Ų069.8 Ų69.80%035%0.353CS..EExtended strand (participates in β ladder)trans-112.1136.4172.4-173.472.5000108.2V157 L158 P169 P175 L176 V178 L192 M228 L229V157-L167 HydrophobicContact CB-CD1 4.02Å; V157-L167 HydrophobicContact CG2-CD1 3.95Å; V157-L167 WeakPolarHBondContact O-CD1 3.5Å; L158-L167 HydrophobicContact CD2-CB 4.04Å; L158-L167 HydrophobicContact CD2-CD1 4.14Å; L167-P169 VanDerWaalsContact O-CD 3.22Å; L167-P169 WeakPolarHBondContact O-CD 3.26Å; L167-P175 WeakPolarHBondContact O-CA 3.33Å; L167-P175 WeakPolarHBondContact O-CB 3.28Å; L167-L176 HydrophobicContact CB-CB 4.3Å; L167-L176 HydrophobicContact CD2-CD1 4.36Å; L167-L176 PolarHBondContact N-O 3.43Å; L167-L176 PolarHBondContact O-N 2.95Å; L167-V178 HydrophobicContact CB-CG2 4.12Å; L167-L192 HydrophobicContact CD2-CD1 4.3Å; L167-M228 HydrophobicContact CD1-CE 3.47Å; L167-M228 VanDerWaalsContact CD1-CE 3.47Å; L167-M228 HydrophobicContact CD2-CE 4.3Å; L167-M228 HydrophobicContact CG-CE 3.92Å; L167-L229 HydrophobicContact CD2-CD1 3.89Å; L167-L229 HydrophobicContact CD2-CG 4.47Å
168W97.5Very high96.1Very high105 Ų10567.6 Ų67.640%0.39834%0.339SS..  trans-109.593177.1-79.9101.1000111.2Q159 I166 P175Q159-W168 VanDerWaalsContact OE1-CD1 3.28Å; I166-W168 HydrophobicContact CD1-CZ2 4.41Å; I166-W168 VanDerWaalsContact CD1-NE1 3.32Å; W168-P175 HydrophobicContact CD2-CB 3.82Å; W168-P175 HydrophobicContact CE3-CB 4.05Å; W168-P175 HydrophobicContact CG-CB 4.35Å; W168-P175 HydrophobicContact CH2-CB 4.17Å; W168-P175 HydrophobicContact CH2-CG 3.98Å; W168-P175 HydrophobicContact CZ2-CB 3.93Å; W168-P175 HydrophobicContact CZ2-CG 3.83Å; W168-P175 HydrophobicContact CZ3-CB 4.23Å; W168-P175 HydrophobicContact CZ3-CG 4.42Å
169P97Very high96Very high5 Ų567.1 Ų67.13%0.03234%0.337CS..  trans-63.7148.9172.9-25.437000112.5L167 C172 L176 T221 A224L167-P169 VanDerWaalsContact O-CD 3.22Å; L167-P169 WeakPolarHBondContact O-CD 3.26Å; P169-C172 HydrophobicContact CB-CB 4.31Å; P169-L176 HydrophobicContact CG-CD1 3.96Å; P169-L176 HydrophobicContact CG-CG 4.27Å; P169-T221 HydrophobicContact CG-CG2 3.82Å; P169-T221 WeakPolarHBondContact CG-O 3.35Å; P169-A224 HydrophobicContact CB-CB 3.71Å
170P94.2Very high95.8Very high72 Ų7265 Ų6547%0.46833%0.326SS..THydrogen-bonded Turntrans-62.7141.6177.5-18.531.8000111.2C172 M228P170-C172 PolarHBondContact O-N 3.43Å; P170-M228 HydrophobicContact CG-CB 4.24Å; P170-M228 HydrophobicContact CG-CG 4.14Å; P170-M228 HydrophobicContact CG-SD 4.1Å
171K91.8Very high95.6Very high223 Ų22362 Ų6297%0.9732%0.322SS*.THydrogen-bonded Turntrans63.217.9176.5-50.4174-178170.40115
172C95Very high95.1Very high31 Ų3164.6 Ų64.621%0.20934%0.336CS..  trans-104.3141173.2-67.60000110.7P169 P170 T221P169-C172 HydrophobicContact CB-CB 4.31Å; P170-C172 PolarHBondContact O-N 3.43Å; C172-T221 HydrophobicContact CB-CG2 4.13Å
173E93.3Very high94.7Very high189 Ų18959.1 Ų59.188%0.88332%0.323SS*.SBendtrans-86.1-19.7176.6-63.8-176.2172.700112.8
174V95.4Very high94.4Very high71 Ų7158 Ų5843%0.4331%0.312SS..SBendtrans-117.8136.8-179.3-70.40000110.1V217V174-V217 HydrophobicContact CG2-CG1 3.85Å
175P97.1Very high94.1Very high37 Ų3758.1 Ų58.124%0.2431%0.314CS..  trans-80.9162175.533.4-33.1000111.3I166 L167 W168I166-P175 HydrophobicContact CB-CB 4.17Å; I166-P175 HydrophobicContact CD1-CB 4.16Å; I166-P175 HydrophobicContact CD1-CG 4.24Å; L167-P175 WeakPolarHBondContact O-CA 3.33Å; L167-P175 WeakPolarHBondContact O-CB 3.28Å; W168-P175 HydrophobicContact CD2-CB 3.82Å; W168-P175 HydrophobicContact CE3-CB 4.05Å; W168-P175 HydrophobicContact CG-CB 4.35Å; W168-P175 HydrophobicContact CH2-CB 4.17Å; W168-P175 HydrophobicContact CH2-CG 3.98Å; W168-P175 HydrophobicContact CZ2-CB 3.93Å; W168-P175 HydrophobicContact CZ2-CG 3.83Å; W168-P175 HydrophobicContact CZ3-CB 4.23Å; W168-P175 HydrophobicContact CZ3-CG 4.42Å
176L98Very high93.8Very high4 Ų457.8 Ų57.82%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-87.6128.4165.2-62.4171.1000108.7I166 L167 P169 D188 L192 T221 V222I166-L176 CarbonylContact C-O 3.47Å; I166-L176 WeakPolarHBondContact CA-O 3.43Å; L167-L176 HydrophobicContact CB-CB 4.3Å; L167-L176 HydrophobicContact CD2-CD1 4.36Å; L167-L176 PolarHBondContact N-O 3.43Å; L167-L176 PolarHBondContact O-N 2.95Å; P169-L176 HydrophobicContact CG-CD1 3.96Å; P169-L176 HydrophobicContact CG-CG 4.27Å; L176-D188 WeakPolarHBondContact CA-OD2 3.07Å; L176-D188 HydrophobicContact CB-CB 4.05Å; L176-D188 HydrophobicContact CD2-CB 4.02Å; L176-L192 HydrophobicContact CD1-CD1 3.82Å; L176-L192 HydrophobicContact CD1-CD2 4.43Å; L176-L192 HydrophobicContact CD1-CG 4.32Å; L176-T221 HydrophobicContact CD1-CG2 4.24Å; L176-T221 HydrophobicContact CD2-CG2 3.58Å; L176-T221 HydrophobicContact CG-CG2 3.65Å; L176-V222 HydrophobicContact CD1-CG2 4.47Å; L176-V222 HydrophobicContact CD2-CG2 3.95Å
177T97.7Very high93.5Very high27 Ų2763.6 Ų63.617%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-89.4102.5171.9-59.90000109.2R164 T186 D188R164-T177 HydrophobicContact CB-CG2 4.28Å; T177-T186 HydrophobicContact CG2-CG2 4.1Å; T177-T186 WeakPolarHBondContact O-CB 3.12Å; T177-T186 VanDerWaalsContact O-CG2 3.26Å; T177-T186 WeakPolarHBondContact O-CG2 3.31Å; T177-T186 PolarHBondContact O-OG1 3.39Å; T177-D188 PolarHBondContact N-OD2 2.74Å
178V96.8Very high93.4Very high0 Ų064.9 Ų64.90%034%0.343CS..EExtended strand (participates in β ladder)trans-83.3-33.5-177.7-177.50000111.8V149 L152 L158 L165 L167 T189V149-V178 HydrophobicContact CG2-CG1 3.64Å; L152-V178 HydrophobicContact CD1-CG1 4.17Å; L152-V178 HydrophobicContact CD1-CG2 4.39Å; L158-V178 HydrophobicContact CD2-CB 4.26Å; L158-V178 HydrophobicContact CD2-CG2 3.89Å; L165-V178 PolarHBondContact O-N 3.46Å; L167-V178 HydrophobicContact CB-CG2 4.12Å; V178-T189 HydrophobicContact CG1-CG2 4.16Å; V178-T189 PolarHBondContact O-OG1 2.65Å
179V95.2Very high93.4Very high12 Ų1259.9 Ų59.97%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-137.3131.4176.2-170.30000109.2V149 R164 L165 F185V149-V179 HydrophobicContact CG1-CG2 3.62Å; V149-V179 HydrophobicContact CG2-CG2 4.3Å; R164-V179 CarbonylContact C-O 3.41Å; R164-V179 VanDerWaalsContact CA-O 3.25Å; R164-V179 WeakPolarHBondContact CA-O 3.38Å; R164-V179 WeakPolarHBondContact CB-O 3.36Å; L165-V179 HydrophobicContact CB-CB 3.95Å; L165-V179 HydrophobicContact CB-CG2 4.18Å; L165-V179 HydrophobicContact CD1-CB 4.11Å; L165-V179 HydrophobicContact CD1-CG2 3.94Å; L165-V179 HydrophobicContact CG-CB 4.16Å; L165-V179 HydrophobicContact CG-CG2 4.44Å; L165-V179 PolarHBondContact N-O 2.98Å; L165-V179 PolarHBondContact O-N 2.87Å; L165-V179 VanDerWaalsContact O-N 3.15Å; V179-F185 HydrophobicContact CG2-CD1 4.4Å; V179-F185 HydrophobicContact CG2-CE1 4.4Å
180K93Very high93.3Very high68 Ų6859.7 Ų59.730%0.29632%0.323SS..  trans-74.9168.1173.6-67.5-175.7-67.4129.70111.5D182 G183 G184 T186K180-D182 VanDerWaalsContact CB-OD1 3.23Å; K180-D182 WeakPolarHBondContact CB-OD1 3.38Å; K180-D182 WeakPolarHBondContact CE-OD1 3.43Å; K180-D182 VanDerWaalsContact NZ-CG 3.25Å; K180-D182 IonicContact NZ-OD1 3.82Å; K180-D182 PolarHBondContact NZ-OD1 3.41Å; K180-D182 IonicContact NZ-OD2 2.89Å; K180-D182 PolarHBondContact NZ-OD2 3.24Å; K180-D182 PolarHBondContact O-N 2.98Å; K180-G183 PolarHBondContact O-N 2.86Å; K180-G184 WeakPolarHBondContact CB-O 3.34Å; K180-G184 PolarHBondContact N-O 3.41Å; K180-T186 HydrophobicContact CD-CG2 4.31Å; K180-T186 HydrophobicContact CG-CG2 3.73Å
181S90.9Very high93.4Very high92 Ų9257.2 Ų57.264%0.64331%0.306SS*.THydrogen-bonded Turntrans-61.9-23.3176.152.60000114.3G163 G183G163-S181 WeakPolarHBondContact O-CA 3.12Å; S181-G183 VanDerWaalsContact C-N 3.29Å
182D86.1Confident93.7Very high115 Ų11546.6 Ų46.662%0.61526%0.26SS*.THydrogen-bonded Turntrans-86.74.8173.865.62.2000113.6K180 G184K180-D182 VanDerWaalsContact CB-OD1 3.23Å; K180-D182 WeakPolarHBondContact CB-OD1 3.38Å; K180-D182 WeakPolarHBondContact CE-OD1 3.43Å; K180-D182 VanDerWaalsContact NZ-CG 3.25Å; K180-D182 IonicContact NZ-OD1 3.82Å; K180-D182 PolarHBondContact NZ-OD1 3.41Å; K180-D182 IonicContact NZ-OD2 2.89Å; K180-D182 PolarHBondContact NZ-OD2 3.24Å; K180-D182 PolarHBondContact O-N 2.98Å; D182-G184 VanDerWaalsContact C-N 3.26Å; D182-G184 PolarHBondContact O-N 2.88Å; D182-G184 PolarHBondContact OD1-N 3.09Å
183G86.7Confident93.9Very high47 Ų4745.3 Ų45.349%0.48525%0.251SS..SBendtrans80.7-2.9-176.600000114.6K180 S181K180-G183 PolarHBondContact O-N 2.86Å; S181-G183 VanDerWaalsContact C-N 3.29Å
184G86.6Confident94.1Very high17 Ų1736.3 Ų36.318%0.17521%0.209CC..  trans-75.6145.7-18000000113.4K180 D182K180-G184 WeakPolarHBondContact CB-O 3.34Å; K180-G184 PolarHBondContact N-O 3.41Å; D182-G184 VanDerWaalsContact C-N 3.26Å; D182-G184 PolarHBondContact O-N 2.88Å; D182-G184 PolarHBondContact OD1-N 3.09Å
185F90.4Very high94.2Very high64 Ų6433 Ų3328%0.28119%0.189SC..  trans-75.2162.6172.6-56.5-35.5000112.5M145 E146 V149 V179 T189M145-F185 HydrophobicContact CB-CD2 3.65Å; M145-F185 HydrophobicContact CB-CE2 3.69Å; M145-F185 HydrophobicContact CB-CG 4.39Å; M145-F185 HydrophobicContact CB-CZ 4.46Å; M145-F185 HydrophobicContact CE-CD2 4.08Å; M145-F185 HydrophobicContact CG-CD2 4.48Å; M145-F185 HydrophobicContact SD-CB 4.14Å; M145-F185 HydrophobicContact SD-CD2 4.09Å; M145-F185 HydrophobicContact SD-CG 4.39Å; E146-F185 HydrophobicContact CG-CE2 3.78Å; E146-F185 HydrophobicContact CG-CZ 3.93Å; V149-F185 HydrophobicContact CB-CE1 4.15Å; V149-F185 HydrophobicContact CG1-CE1 4.33Å; V149-F185 HydrophobicContact CG2-CD1 4.06Å; V149-F185 HydrophobicContact CG2-CE1 3.65Å; V149-F185 HydrophobicContact CG2-CZ 4.26Å; V179-F185 HydrophobicContact CG2-CD1 4.4Å; V179-F185 HydrophobicContact CG2-CE1 4.4Å; F185-T189 HydrophobicContact CB-CG2 4.04Å; F185-T189 HydrophobicContact CD1-CG2 4.03Å; F185-T189 HydrophobicContact CG-CG2 4Å
186T91.9Very high94.2Very high31 Ų3132.9 Ų32.919%0.1919%0.186CC..  trans-123.1176.6-176.665.60000111.3T177 K180 D188 T189 S190T177-T186 HydrophobicContact CG2-CG2 4.1Å; T177-T186 WeakPolarHBondContact O-CB 3.12Å; T177-T186 VanDerWaalsContact O-CG2 3.26Å; T177-T186 WeakPolarHBondContact O-CG2 3.31Å; T177-T186 PolarHBondContact O-OG1 3.39Å; K180-T186 HydrophobicContact CD-CG2 4.31Å; K180-T186 HydrophobicContact CG-CG2 3.73Å; T186-D188 PolarHBondContact O-N 3.07Å; T186-D188 PolarHBondContact OG1-N 2.95Å; T186-T189 PolarHBondContact N-OG1 2.75Å; T186-T189 VanDerWaalsContact N-OG1 3.11Å; T186-T189 VanDerWaalsContact O-CB 3.29Å; T186-T189 WeakPolarHBondContact O-CB 3.34Å; T186-T189 PolarHBondContact O-N 2.67Å; T186-T189 VanDerWaalsContact O-N 3.11Å; T186-T189 PolarHBondContact O-OG1 3.05Å; T186-T189 PolarHBondContact OG1-N 2.72Å; T186-T189 PolarHBondContact OG1-OG1 2.89Å; T186-S190 PolarHBondContact O-N 3.4Å; T186-S190 VanDerWaalsContact O-N 3.16Å
187Y91.9Very high94.2Very high126 Ų12633 Ų3349%0.49419%0.186SC..Hα-helixtrans-59-35.2169.4-62.5-60000112.8E138 T189 S190 D191E138-Y187 VanDerWaalsContact OE1-CE1 3.29Å; E138-Y187 WeakPolarHBondContact OE1-CE1 3.4Å; Y187-T189 PolarHBondContact O-N 3.13Å; Y187-S190 WeakPolarHBondContact CA-OG 3.38Å; Y187-S190 PolarHBondContact O-N 3.37Å; Y187-S190 PolarHBondContact O-OG 2.83Å; Y187-D191 WeakPolarHBondContact O-CB 3.31Å; Y187-D191 PolarHBondContact O-N 2.91Å
188D95.9Very high94.3Very high26 Ų2632.8 Ų32.814%0.13918%0.183CC..Hα-helixtrans-61.1-35.1176.5-50.4-7.1000111.2L176 T177 T186 L192 H218L176-D188 WeakPolarHBondContact CA-OD2 3.07Å; L176-D188 HydrophobicContact CB-CB 4.05Å; L176-D188 HydrophobicContact CD2-CB 4.02Å; T177-D188 PolarHBondContact N-OD2 2.74Å; T186-D188 PolarHBondContact O-N 3.07Å; T186-D188 PolarHBondContact OG1-N 2.95Å; D188-L192 WeakPolarHBondContact O-CB 3.42Å; D188-L192 WeakPolarHBondContact O-CG 3.46Å; D188-L192 PolarHBondContact O-N 3.41Å; D188-H218 IonicContact OD1-CE1 3.6Å; D188-H218 PolarHBondContact OD1-CE1 3.38Å; D188-H218 IonicContact OD1-ND1 3.8Å; D188-H218 PolarHBondContact OD1-ND1 3.02Å
189T95.7Very high94.3Very high0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-70.6-47.7178.2-38.30000110.8M145 F148 V149 V178 F185 T186 Y187 T193M145-T189 HydrophobicContact CB-CG2 4.12Å; M145-T189 HydrophobicContact CG-CG2 4.01Å; M145-T189 HydrophobicContact SD-CG2 3.9Å; F148-T189 HydrophobicContact CD1-CG2 4.32Å; V149-T189 HydrophobicContact CG2-CG2 3.72Å; V178-T189 HydrophobicContact CG1-CG2 4.16Å; V178-T189 PolarHBondContact O-OG1 2.65Å; F185-T189 HydrophobicContact CB-CG2 4.04Å; F185-T189 HydrophobicContact CD1-CG2 4.03Å; F185-T189 HydrophobicContact CG-CG2 4Å; T186-T189 PolarHBondContact N-OG1 2.75Å; T186-T189 VanDerWaalsContact N-OG1 3.11Å; T186-T189 VanDerWaalsContact O-CB 3.29Å; T186-T189 WeakPolarHBondContact O-CB 3.34Å; T186-T189 PolarHBondContact O-N 2.67Å; T186-T189 VanDerWaalsContact O-N 3.11Å; T186-T189 PolarHBondContact O-OG1 3.05Å; T186-T189 PolarHBondContact OG1-N 2.72Å; T186-T189 PolarHBondContact OG1-OG1 2.89Å; Y187-T189 PolarHBondContact O-N 3.13Å; T189-T193 VanDerWaalsContact O-CB 3.28Å; T189-T193 WeakPolarHBondContact O-CB 3.39Å; T189-T193 PolarHBondContact O-N 2.97Å; T189-T193 PolarHBondContact O-OG1 2.75Å
190S95.4Very high94.4Very high2 Ų237.5 Ų37.51%0.01420%0.204CC..Hα-helixtrans-66.4-42.3-178.758.10000111.4M145 T186 Y187 T193 A194M145-S190 VanDerWaalsContact SD-CA 3.58Å; T186-S190 PolarHBondContact O-N 3.4Å; T186-S190 VanDerWaalsContact O-N 3.16Å; Y187-S190 WeakPolarHBondContact CA-OG 3.38Å; Y187-S190 PolarHBondContact O-N 3.37Å; Y187-S190 PolarHBondContact O-OG 2.83Å; S190-T193 PolarHBondContact O-N 3.32Å; S190-A194 WeakPolarHBondContact O-CB 3.2Å; S190-A194 PolarHBondContact O-N 2.79Å
191D97.5Very high94.6Very high20 Ų2039 Ų3911%0.10721%0.212CC..Hα-helixtrans-68.6-42-179.1-83.7-32.6000113H40 Y187 A194 L195 H218 V222H40-D191 IonicContact NE2-OD1 3Å; Y187-D191 WeakPolarHBondContact O-CB 3.31Å; Y187-D191 PolarHBondContact O-N 2.91Å; D191-A194 PolarHBondContact O-N 3.11Å; D191-L195 WeakPolarHBondContact O-CB 3.21Å; D191-L195 PolarHBondContact O-N 3.5Å; D191-H218 IonicContact OD2-CD2 3.85Å; D191-H218 IonicContact OD2-CE1 3.37Å; D191-H218 IonicContact OD2-NE2 2.89Å; D191-H218 PolarHBondContact OD2-NE2 2.86Å; D191-V222 HydrophobicContact CB-CG1 4.17Å; D191-V222 HydrophobicContact CB-CG2 4.2Å
192L97.7Very high94.9Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-63.3-45173.9-79.2170.2000111.3F148 L167 L176 D188 A194 L195 L196 V222 A226F148-L192 HydrophobicContact CE1-CB 3.95Å; F148-L192 HydrophobicContact CE1-CD1 4.29Å; F148-L192 HydrophobicContact CE2-CB 4.28Å; F148-L192 HydrophobicContact CZ-CB 3.5Å; F148-L192 VanDerWaalsContact CZ-CB 3.5Å; F148-L192 HydrophobicContact CZ-CD1 4.01Å; F148-L192 HydrophobicContact CZ-CG 4.32Å; L167-L192 HydrophobicContact CD2-CD1 4.3Å; L176-L192 HydrophobicContact CD1-CD1 3.82Å; L176-L192 HydrophobicContact CD1-CD2 4.43Å; L176-L192 HydrophobicContact CD1-CG 4.32Å; D188-L192 WeakPolarHBondContact O-CB 3.42Å; D188-L192 WeakPolarHBondContact O-CG 3.46Å; D188-L192 PolarHBondContact O-N 3.41Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.29Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-L196 PolarHBondContact O-N 3.42Å; L192-V222 HydrophobicContact CD2-CG1 3.93Å; L192-V222 WeakPolarHBondContact CD2-O 3.33Å; L192-V222 HydrophobicContact CG-CG1 4.16Å; L192-A226 HydrophobicContact CD2-CB 4.15Å
193T97.7Very high95.5Very high4 Ų440.4 Ų40.43%0.02520%0.202CC..Hα-helixtrans-63.7-41.7178.5-56.10000111R144 M145 F148 T189 S190 L196 Q197R144-T193 HydrophobicContact CB-CG2 3.58Å; M145-T193 HydrophobicContact CG-CG2 4.08Å; F148-T193 HydrophobicContact CB-CG2 4.4Å; F148-T193 WeakPolarHBondContact CD1-OG1 3.48Å; F148-T193 WeakPolarHBondContact CG-OG1 3.13Å; T189-T193 VanDerWaalsContact O-CB 3.28Å; T189-T193 WeakPolarHBondContact O-CB 3.39Å; T189-T193 PolarHBondContact O-N 2.97Å; T189-T193 PolarHBondContact O-OG1 2.75Å; S190-T193 PolarHBondContact O-N 3.32Å; T193-L196 PolarHBondContact O-N 3.39Å; T193-Q197 WeakPolarHBondContact O-CB 3.47Å; T193-Q197 PolarHBondContact O-N 3.14Å
194A98.1Very high96Very high0 Ų039.3 Ų39.30%019%0.189CC..Hα-helixtrans-66.8-39.2177.600000112Y141 S190 D191 L192 Q197 R198Y141-A194 HydrophobicContact CD1-CB 3.93Å; Y141-A194 HydrophobicContact CD2-CB 4.3Å; Y141-A194 HydrophobicContact CE1-CB 3.59Å; Y141-A194 HydrophobicContact CE2-CB 4.02Å; Y141-A194 HydrophobicContact CG-CB 4.27Å; S190-A194 WeakPolarHBondContact O-CB 3.2Å; S190-A194 PolarHBondContact O-N 2.79Å; D191-A194 PolarHBondContact O-N 3.11Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.29Å; A194-Q197 PolarHBondContact O-N 3.37Å; A194-R198 WeakPolarHBondContact O-CB 3.45Å; A194-R198 VanDerWaalsContact O-CD 3.31Å; A194-R198 WeakPolarHBondContact O-CD 3.36Å; A194-R198 WeakPolarHBondContact O-CG 3.43Å; A194-R198 PolarHBondContact O-N 2.95Å
195L98.2Very high96.6Very high0 Ų044.4 Ų44.40%021%0.212CC..Hα-helixtrans-63.3-45.9174.8-178.751.6000111.1D191 L192 Q197 R198 L199 V207 Y209 V222 F223 A226 V239D191-L195 WeakPolarHBondContact O-CB 3.21Å; D191-L195 PolarHBondContact O-N 3.5Å; L192-L195 PolarHBondContact O-N 3.4Å; L195-Q197 VanDerWaalsContact C-N 3.35Å; L195-Q197 PolarHBondContact O-N 3.31Å; L195-R198 PolarHBondContact O-N 2.83Å; L195-L199 HydrophobicContact CD1-CD1 3.61Å; L195-L199 HydrophobicContact CD1-CG 3.99Å; L195-L199 HydrophobicContact CG-CD1 3.76Å; L195-L199 WeakPolarHBondContact O-CD1 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.41Å; L195-V207 HydrophobicContact CD1-CB 4.5Å; L195-V207 HydrophobicContact CD1-CG1 4.35Å; L195-V207 HydrophobicContact CD1-CG2 4.42Å; L195-Y209 WeakPolarHBondContact CB-OH 3.3Å; L195-Y209 HydrophobicContact CD1-CE2 4.31Å; L195-V222 HydrophobicContact CD2-CG1 4.41Å; L195-F223 HydrophobicContact CD2-CD1 3.95Å; L195-F223 HydrophobicContact CD2-CE1 4.48Å; L195-A226 HydrophobicContact CD2-CB 3.54Å; L195-A226 HydrophobicContact CG-CB 4.32Å; L195-V239 HydrophobicContact CD1-CG1 4Å; L195-V239 HydrophobicContact CD1-CG2 4.22Å; L195-V239 HydrophobicContact CD2-CG1 4.26Å
196L97.8Very high96.9Very high35 Ų3543.7 Ų43.718%0.18321%0.207CC..Hα-helixtrans-56.4-48.7174.9177.762.9000111.3F148 L192 T193 R198 L199 H200 Y231F148-L196 HydrophobicContact CD2-CD2 3.91Å; F148-L196 HydrophobicContact CE2-CD2 4.27Å; L192-L196 PolarHBondContact O-N 3.42Å; T193-L196 PolarHBondContact O-N 3.39Å; L196-R198 PolarHBondContact O-N 2.85Å; L196-L199 PolarHBondContact O-N 3.22Å; L196-H200 HydrophobicContact CD1-CB 4.45Å; L196-H200 VanDerWaalsContact CD1-CE1 3.49Å; L196-H200 WeakPolarHBondContact CD1-CE1 3.41Å; L196-H200 WeakPolarHBondContact O-CB 2.9Å; L196-H200 PolarHBondContact O-N 2.94Å; L196-Y231 HydrophobicContact CB-CD2 4.23Å; L196-Y231 HydrophobicContact CB-CE2 4.39Å; L196-Y231 HydrophobicContact CD1-CD1 3.75Å; L196-Y231 HydrophobicContact CD1-CD2 4.14Å; L196-Y231 HydrophobicContact CD1-CE1 4.07Å; L196-Y231 HydrophobicContact CD1-CE2 4.46Å; L196-Y231 HydrophobicContact CD1-CG 3.79Å
197Q97.9Very high97.3Very high6 Ų642.8 Ų42.83%0.02820%0.201CC..Hα-helixtrans-57.6-46.6177.9-170-79-36.400112F140 Y141 T193 A194 L195 L199 E201 E202F140-Q197 HydrophobicContact CE1-CG 4.34Å; Y141-Q197 HydrophobicContact CD1-CB 4.31Å; Y141-Q197 HydrophobicContact CD1-CG 4.48Å; Y141-Q197 HydrophobicContact CE1-CB 4.03Å; Y141-Q197 HydrophobicContact CE1-CG 4.11Å; T193-Q197 WeakPolarHBondContact O-CB 3.47Å; T193-Q197 PolarHBondContact O-N 3.14Å; A194-Q197 PolarHBondContact O-N 3.37Å; L195-Q197 VanDerWaalsContact C-N 3.35Å; L195-Q197 PolarHBondContact O-N 3.31Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 2.85Å; Q197-E201 HydrophobicContact CG-CB 4.37Å; Q197-E201 HydrophobicContact CG-CG 4.23Å; Q197-E201 WeakPolarHBondContact CG-OE2 3.29Å; Q197-E201 PolarHBondContact NE2-OE2 3.49Å; Q197-E201 WeakPolarHBondContact O-CA 3.49Å; Q197-E201 VanDerWaalsContact O-CB 3.31Å; Q197-E201 WeakPolarHBondContact O-CB 3.34Å; Q197-E201 PolarHBondContact O-N 3.06Å; Q197-E202 PolarHBondContact O-N 3.23Å
198R98.2Very high97.6Very high23 Ų2338.9 Ų38.99%0.08719%0.189CC..Hα-helixtrans-65.4-34-179.9-69.7162.7-171.8168.74.8112.3L38 A194 L195 L196 E202 K203 A204 V207 Y209L38-R198 HydrophobicContact CD1-CG 4.18Å; A194-R198 WeakPolarHBondContact O-CB 3.45Å; A194-R198 VanDerWaalsContact O-CD 3.31Å; A194-R198 WeakPolarHBondContact O-CD 3.36Å; A194-R198 WeakPolarHBondContact O-CG 3.43Å; A194-R198 PolarHBondContact O-N 2.95Å; L195-R198 PolarHBondContact O-N 2.83Å; L196-R198 PolarHBondContact O-N 2.85Å; R198-E202 WeakPolarHBondContact O-CB 3.19Å; R198-K203 PolarHBondContact O-N 3.33Å; R198-A204 VanDerWaalsContact O-CB 3.3Å; R198-A204 WeakPolarHBondContact O-CB 3.31Å; R198-A204 PolarHBondContact O-N 3.26Å; R198-A204 VanDerWaalsContact O-N 3.14Å; R198-V207 HydrophobicContact CB-CG2 4.39Å; R198-Y209 VanDerWaalsContact NH1-CE1 3.28Å; R198-Y209 PolarHBondContact NH1-OH 3.28Å
199L98Very high97.7Very high7 Ų738.3 Ų38.34%0.03719%0.185CC..Hα-helixtrans-81.1-39.8179.4-70.1162.8000112.2L195 L196 Q197 K203 V207 Y232 H237 V239L195-L199 HydrophobicContact CD1-CD1 3.61Å; L195-L199 HydrophobicContact CD1-CG 3.99Å; L195-L199 HydrophobicContact CG-CD1 3.76Å; L195-L199 WeakPolarHBondContact O-CD1 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 3.22Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 2.85Å; L199-K203 VanDerWaalsContact O-CA 3.25Å; L199-K203 WeakPolarHBondContact O-CA 3.27Å; L199-K203 PolarHBondContact O-N 3.42Å; L199-V207 HydrophobicContact CD2-CG2 4.09Å; L199-V207 HydrophobicContact CG-CG2 4.47Å; L199-Y232 HydrophobicContact CD1-CD1 4.18Å; L199-Y232 HydrophobicContact CD1-CG 4.29Å; L199-H237 HydrophobicContact CD2-CB 4.19Å; L199-V239 HydrophobicContact CD2-CG2 4.35Å
200H97.1Very high97.8Very high104 Ų10438.7 Ų38.748%0.48119%0.187SC..Hα-helixtrans-98.5-41.7-169-72.7-150.4000113L196 Y231L196-H200 HydrophobicContact CD1-CB 4.45Å; L196-H200 VanDerWaalsContact CD1-CE1 3.49Å; L196-H200 WeakPolarHBondContact CD1-CE1 3.41Å; L196-H200 WeakPolarHBondContact O-CB 2.9Å; L196-H200 PolarHBondContact O-N 2.94Å; H200-Y231 PolarHBondContact NE2-O 3.41Å
201E97.3Very high97.9Very high101 Ų10140.7 Ų40.747%0.47220%0.199SC..THydrogen-bonded Turntrans-83.6-50.9177.8-62-178.6-159.800110.9R144 Q197 K203R144-E201 IonicContact CZ-OE1 2.75Å; R144-E201 IonicContact CZ-OE2 3.11Å; R144-E201 IonicContact NE-OE1 2.69Å; R144-E201 PolarHBondContact NE-OE1 3.13Å; R144-E201 IonicContact NE-OE2 3.35Å; R144-E201 IonicContact NH2-OE1 3.05Å; R144-E201 PolarHBondContact NH2-OE1 3.27Å; R144-E201 IonicContact NH2-OE2 3.44Å; R144-E201 PolarHBondContact NH2-OE2 2.97Å; Q197-E201 HydrophobicContact CG-CB 4.37Å; Q197-E201 HydrophobicContact CG-CG 4.23Å; Q197-E201 WeakPolarHBondContact CG-OE2 3.29Å; Q197-E201 PolarHBondContact NE2-OE2 3.49Å; Q197-E201 WeakPolarHBondContact O-CA 3.49Å; Q197-E201 VanDerWaalsContact O-CB 3.31Å; Q197-E201 WeakPolarHBondContact O-CB 3.34Å; Q197-E201 PolarHBondContact O-N 3.06Å; E201-K203 VanDerWaalsContact C-N 3.31Å
202E97.3Very high97.8Very high75 Ų7542 Ų4235%0.3521%0.206SC..SBendtrans-78.7-15.7179.6-59.8-66.1167.100113.1L36 R136 Q197 R198 A204L36-E202 HydrophobicContact CD2-CG 4.09Å; R136-E202 IonicContact CZ-OE1 3.44Å; R136-E202 IonicContact NH1-OE1 2.79Å; R136-E202 PolarHBondContact NH1-OE1 2.94Å; R136-E202 IonicContact NH2-OE1 2.84Å; R136-E202 PolarHBondContact NH2-OE1 2.9Å; Q197-E202 PolarHBondContact O-N 3.23Å; R198-E202 WeakPolarHBondContact O-CB 3.19Å; E202-A204 VanDerWaalsContact C-N 3.27Å; E202-A204 PolarHBondContact O-N 2.88Å
203K97.7Very high97.8Very high161 Ų16145.7 Ų45.770%0.722%0.224SC*.  trans55.541.4-179.9-56.8-178-179.4-177.90112.7R198 L199 E201 D205R198-K203 PolarHBondContact O-N 3.33Å; L199-K203 VanDerWaalsContact O-CA 3.25Å; L199-K203 WeakPolarHBondContact O-CA 3.27Å; L199-K203 PolarHBondContact O-N 3.42Å; E201-K203 VanDerWaalsContact C-N 3.31Å; K203-D205 PolarHBondContact O-N 2.76Å
204A98.3Very high97.6Very high24 Ų2448.5 Ų48.520%0.19825%0.254CS..  trans-69.9124.5-177.700000111.7R198 E202 W206 V207 H237R198-A204 VanDerWaalsContact O-CB 3.3Å; R198-A204 WeakPolarHBondContact O-CB 3.31Å; R198-A204 PolarHBondContact O-N 3.26Å; R198-A204 VanDerWaalsContact O-N 3.14Å; E202-A204 VanDerWaalsContact C-N 3.27Å; E202-A204 PolarHBondContact O-N 2.88Å; A204-W206 VanDerWaalsContact C-N 3.3Å; A204-V207 HydrophobicContact CB-CG2 3.81Å; A204-H237 PolarHBondContact O-CD2 3.35Å
205D98.2Very high97.5Very high124 Ų12453 Ų5366%0.66328%0.275SS*.SBendtrans-71.4-29168.7-54.6-75.8000111.9K203 H237 K238K203-D205 PolarHBondContact O-N 2.76Å; D205-H237 WeakPolarHBondContact O-CA 3.12Å; D205-K238 PolarHBondContact O-N 3.21Å
206W98Very high97.4Very high49 Ų4954.3 Ų54.319%0.18628%0.284CS..EExtended strand (participates in β ladder)trans-137.6121.1-177-154.8-13.8000111.5L28 A204 L208 K238 Q240 Q392 F395L28-W206 HydrophobicContact CD2-CZ3 4.08Å; A204-W206 VanDerWaalsContact C-N 3.3Å; W206-L208 VanDerWaalsContact CD1-CD2 3.48Å; W206-L208 HydrophobicContact CD2-CD2 4.48Å; W206-L208 HydrophobicContact CG-CD2 4.35Å; W206-L208 HydrophobicContact CG-CG 4.47Å; W206-K238 CarbonylContact C-O 3.54Å; W206-K238 VanDerWaalsContact CA-O 3.28Å; W206-K238 WeakPolarHBondContact CA-O 3.32Å; W206-K238 HydrophobicContact CB-CB 4.35Å; W206-K238 HydrophobicContact CD2-CB 4.17Å; W206-K238 HydrophobicContact CD2-CD 3.86Å; W206-K238 HydrophobicContact CE3-CD 4.33Å; W206-K238 HydrophobicContact CG-CB 3.71Å; W206-K238 HydrophobicContact CG-CD 4.25Å; W206-K238 HydrophobicContact CH2-CD 4.29Å; W206-K238 HydrophobicContact CZ2-CD 3.82Å; W206-Q240 VanDerWaalsContact CE2-OE1 3.27Å; W206-Q240 VanDerWaalsContact CZ2-OE1 3.23Å; W206-Q392 HydrophobicContact CH2-CG 4.24Å; W206-Q392 VanDerWaalsContact CH2-O 3.29Å; W206-Q392 WeakPolarHBondContact CH2-O 3.47Å; W206-Q392 HydrophobicContact CZ3-CG 4.18Å; W206-F395 HydrophobicContact CD2-CZ 4.48Å; W206-F395 AromaticContact CE2-CE2 3.89Å; W206-F395 AromaticContact CE2-CZ 3.81Å; W206-F395 HydrophobicContact CH2-CE1 4.39Å; W206-F395 AromaticContact CH2-CE2 3.79Å; W206-F395 HydrophobicContact CH2-CE2 3.79Å; W206-F395 AromaticContact CH2-CZ 3.38Å; W206-F395 HydrophobicContact CH2-CZ 3.38Å; W206-F395 AromaticContact CZ2-CE2 3.26Å; W206-F395 HydrophobicContact CZ2-CE2 3.26Å; W206-F395 AromaticContact CZ2-CZ 3.27Å; W206-F395 HydrophobicContact CZ2-CZ 3.27Å; W206-F395 HydrophobicContact CZ3-CZ 4.02Å
207V98.5Very high97.4Very high11 Ų1157.2 Ų57.27%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-115.5119.1175-168.40000109.6L195 R198 L199 A204 Y209 K238 V239 Q240L195-V207 HydrophobicContact CD1-CB 4.5Å; L195-V207 HydrophobicContact CD1-CG1 4.35Å; L195-V207 HydrophobicContact CD1-CG2 4.42Å; R198-V207 HydrophobicContact CB-CG2 4.39Å; L199-V207 HydrophobicContact CD2-CG2 4.09Å; L199-V207 HydrophobicContact CG-CG2 4.47Å; A204-V207 HydrophobicContact CB-CG2 3.81Å; V207-Y209 HydrophobicContact CB-CE2 4.34Å; V207-Y209 HydrophobicContact CG1-CD2 4.09Å; V207-Y209 HydrophobicContact CG1-CE2 3.44Å; V207-Y209 VanDerWaalsContact CG1-CE2 3.44Å; V207-K238 PolarHBondContact N-O 2.65Å; V207-V239 WeakPolarHBondContact O-CA 3.46Å; V207-Q240 PolarHBondContact O-N 2.84Å
208L98.6Very high97.4Very high44 Ų4458.7 Ų58.723%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-111.5120.5-177.3-63-178.4000111.6I24 L28 W206 Q240 I242 F395I24-L208 HydrophobicContact CG2-CD1 3.71Å; L28-L208 HydrophobicContact CD1-CD1 3.78Å; W206-L208 VanDerWaalsContact CD1-CD2 3.48Å; W206-L208 HydrophobicContact CD2-CD2 4.48Å; W206-L208 HydrophobicContact CG-CD2 4.35Å; W206-L208 HydrophobicContact CG-CG 4.47Å; L208-Q240 HydrophobicContact CD2-CB 3.97Å; L208-I242 HydrophobicContact CB-CG1 4.23Å; L208-I242 HydrophobicContact CD2-CD1 4Å; L208-I242 HydrophobicContact CD2-CG1 4.04Å; L208-F395 HydrophobicContact CD1-CE1 3.97Å; L208-F395 HydrophobicContact CD1-CE2 4.09Å; L208-F395 HydrophobicContact CD1-CZ 3.57Å; L208-F395 HydrophobicContact CD2-CE2 3.76Å; L208-F395 HydrophobicContact CD2-CZ 4.02Å; L208-F395 HydrophobicContact CG-CZ 4.44Å
209Y98.6Very high97.3Very high14 Ų1457.8 Ų57.86%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-101.298.7176.7-72.6-104.9000110L195 R198 V207 V211 L219 F223 V239 Q240 H241 I242L195-Y209 WeakPolarHBondContact CB-OH 3.3Å; L195-Y209 HydrophobicContact CD1-CE2 4.31Å; R198-Y209 VanDerWaalsContact NH1-CE1 3.28Å; R198-Y209 PolarHBondContact NH1-OH 3.28Å; V207-Y209 HydrophobicContact CB-CE2 4.34Å; V207-Y209 HydrophobicContact CG1-CD2 4.09Å; V207-Y209 HydrophobicContact CG1-CE2 3.44Å; V207-Y209 VanDerWaalsContact CG1-CE2 3.44Å; Y209-V211 PolarHBondContact O-N 3.31Å; Y209-L219 HydrophobicContact CD1-CD2 3.88Å; Y209-L219 HydrophobicContact CE1-CD2 4.33Å; Y209-L219 HydrophobicContact CG-CD2 4.48Å; Y209-F223 AromaticContact CD2-CE1 3.74Å; Y209-F223 HydrophobicContact CD2-CE1 3.74Å; Y209-F223 AromaticContact CD2-CZ 3.59Å; Y209-F223 HydrophobicContact CD2-CZ 3.59Å; Y209-F223 AromaticContact CE2-CE1 3.65Å; Y209-F223 HydrophobicContact CE2-CE1 3.65Å; Y209-F223 HydrophobicContact CE2-CZ 4.01Å; Y209-F223 HydrophobicContact CG-CE1 4.26Å; Y209-F223 AromaticContact CG-CZ 3.95Å; Y209-F223 HydrophobicContact CG-CZ 3.95Å; Y209-V239 HydrophobicContact CE2-CG1 4.19Å; Y209-Q240 PolarHBondContact N-O 3.36Å; Y209-H241 PolarHBondContact O-CD2 3.46Å; Y209-I242 PolarHBondContact O-N 2.79Å
210V98.5Very high97.3Very high8 Ų861.7 Ų61.75%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-87.690.7178.1-168.60000109.6M1 S17 I20 I242 F244M1-V210 HydrophobicContact CB-CB 4.27Å; M1-V210 HydrophobicContact CB-CG2 4.48Å; S17-V210 PolarHBondContact OG-O 3.34Å; I20-V210 HydrophobicContact CB-CG1 4.09Å; I20-V210 HydrophobicContact CG2-CG1 3.87Å; V210-I242 HydrophobicContact CB-CB 4.47Å; V210-I242 HydrophobicContact CG1-CG2 4.4Å; V210-I242 HydrophobicContact CG2-CB 4.06Å; V210-I242 HydrophobicContact CG2-CG1 4.42Å; V210-I242 HydrophobicContact CG2-CG2 4.35Å; V210-F244 HydrophobicContact CG1-CD1 4.15Å; V210-F244 HydrophobicContact CG1-CE1 4.07Å
211V97.2Very high97.3Very high44 Ų4457 Ų5727%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-140.2151.1-170.5-172.20000110.1Y209 Q215 L219 H241 I242 G243 F244Y209-V211 PolarHBondContact O-N 3.31Å; V211-Q215 HydrophobicContact CG1-CB 3.76Å; V211-Q215 HydrophobicContact CG1-CG 3.84Å; V211-L219 HydrophobicContact CB-CD1 3.96Å; V211-L219 HydrophobicContact CG1-CD1 4.39Å; V211-L219 HydrophobicContact CG2-CD1 4.07Å; V211-H241 PolarHBondContact O-NE2 2.87Å; V211-I242 PolarHBondContact N-O 3.35Å; V211-G243 WeakPolarHBondContact O-CA 3.38Å; V211-F244 PolarHBondContact O-N 3.46Å
212D95.9Very high97.4Very high47 Ų4752.2 Ų52.225%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-51.3144.7175.8178.1-97.2000112.7G214 Q215 F244D212-G214 PolarHBondContact O-N 3.12Å; D212-G214 VanDerWaalsContact OD1-CA 3.31Å; D212-G214 WeakPolarHBondContact OD1-CA 3.38Å; D212-G214 PolarHBondContact OD1-N 2.98Å; D212-Q215 PolarHBondContact O-N 3.46Å; D212-F244 HydrophobicContact CB-CD2 4.42Å; D212-F244 HydrophobicContact CB-CE2 3.82Å; D212-F244 HydrophobicContact CB-CZ 4.16Å; D212-F244 VanDerWaalsContact N-CZ 3.27Å
213M96Very high97.4Very high78 Ų7849.2 Ų49.238%0.38427%0.27SS..G310 helixtrans-62.6-21.6-179.1-81.4-176.5133.900113.7Q215 S216 F244 T316M213-Q215 PolarHBondContact O-N 2.98Å; M213-Q215 VanDerWaalsContact O-N 3.17Å; M213-S216 WeakPolarHBondContact O-CB 3.34Å; M213-S216 PolarHBondContact O-N 3.36Å; M213-S216 VanDerWaalsContact O-N 3.08Å; M213-S216 PolarHBondContact O-OG 3.03Å; M213-F244 WeakPolarHBondContact CG-O 3.47Å; M213-F244 PolarHBondContact N-O 3.28Å; M213-T316 HydrophobicContact CE-CG2 3.83Å; M213-T316 VanDerWaalsContact SD-O 3.39Å
214G94.4Very high97.4Very high63 Ų6342.5 Ų42.565%0.64925%0.245SC*.G310 helixtrans-61.1-19.417200000113.8D212D212-G214 PolarHBondContact O-N 3.12Å; D212-G214 VanDerWaalsContact OD1-CA 3.31Å; D212-G214 WeakPolarHBondContact OD1-CA 3.38Å; D212-G214 PolarHBondContact OD1-N 2.98Å
215Q95.7Very high97.4Very high94 Ų9441.4 Ų41.444%0.43924%0.236SC..G310 helixtrans-95.75.7176.8-63.6-63.4-32.700113.6V211 D212 M213 V217 H218 L219V211-Q215 HydrophobicContact CG1-CB 3.76Å; V211-Q215 HydrophobicContact CG1-CG 3.84Å; D212-Q215 PolarHBondContact O-N 3.46Å; M213-Q215 PolarHBondContact O-N 2.98Å; M213-Q215 VanDerWaalsContact O-N 3.17Å; Q215-V217 VanDerWaalsContact C-N 3.33Å; Q215-V217 PolarHBondContact O-N 3.47Å; Q215-H218 PolarHBondContact O-N 2.95Å; Q215-L219 HydrophobicContact CB-CD1 4.48Å; Q215-L219 PolarHBondContact O-N 3.42Å
216S96.7Very high97.4Very high28 Ų2835.5 Ų35.520%0.19620%0.204CC..Hα-helixtrans-59.5-42.2-175.6-52.90000112.6M213 N220 H241M213-S216 WeakPolarHBondContact O-CB 3.34Å; M213-S216 PolarHBondContact O-N 3.36Å; M213-S216 VanDerWaalsContact O-N 3.08Å; M213-S216 PolarHBondContact O-OG 3.03Å; S216-N220 VanDerWaalsContact O-CB 3.27Å; S216-N220 WeakPolarHBondContact O-CB 3.3Å; S216-N220 PolarHBondContact O-N 2.67Å; S216-N220 PolarHBondContact O-ND2 3.04Å; S216-N220 VanDerWaalsContact O-ND2 3.13Å; S216-H241 PolarHBondContact OG-CE1 2.71Å
217V96.9Very high97.3Very high96 Ų9637.7 Ų37.758%0.58222%0.216SC*.Hα-helixtrans-63.1-45.1-179.2176.80000110.8V174 Q215 T221V174-V217 HydrophobicContact CG2-CG1 3.85Å; Q215-V217 VanDerWaalsContact C-N 3.33Å; Q215-V217 PolarHBondContact O-N 3.47Å; V217-T221 WeakPolarHBondContact O-CB 3.33Å; V217-T221 PolarHBondContact O-N 3.08Å; V217-T221 VanDerWaalsContact O-N 3.07Å; V217-T221 PolarHBondContact O-OG1 3.23Å
218H97.4Very high97.2Very high37 Ų3740.8 Ų40.817%0.17123%0.231CC..Hα-helixtrans-59.3-56.2176.6173.659.8000111.3D188 D191 Q215 N220 T221 V222D188-H218 IonicContact OD1-CE1 3.6Å; D188-H218 PolarHBondContact OD1-CE1 3.38Å; D188-H218 IonicContact OD1-ND1 3.8Å; D188-H218 PolarHBondContact OD1-ND1 3.02Å; D191-H218 IonicContact OD2-CD2 3.85Å; D191-H218 IonicContact OD2-CE1 3.37Å; D191-H218 IonicContact OD2-NE2 2.89Å; D191-H218 PolarHBondContact OD2-NE2 2.86Å; Q215-H218 PolarHBondContact O-N 2.95Å; H218-N220 PolarHBondContact O-N 3.19Å; H218-T221 WeakPolarHBondContact O-CB 3.43Å; H218-T221 PolarHBondContact O-N 3.17Å; H218-T221 VanDerWaalsContact O-N 3.09Å; H218-V222 WeakPolarHBondContact O-CG2 3.4Å; H218-V222 PolarHBondContact O-N 3.44Å
219L97.6Very high97.2Very high5 Ų539.6 Ų39.63%0.02623%0.225CC..Hα-helixtrans-63.5-41.3-176-68.3174.5000112.7Y209 V211 Q215 T221 V222 F223 H241Y209-L219 HydrophobicContact CD1-CD2 3.88Å; Y209-L219 HydrophobicContact CE1-CD2 4.33Å; Y209-L219 HydrophobicContact CG-CD2 4.48Å; V211-L219 HydrophobicContact CB-CD1 3.96Å; V211-L219 HydrophobicContact CG1-CD1 4.39Å; V211-L219 HydrophobicContact CG2-CD1 4.07Å; Q215-L219 HydrophobicContact CB-CD1 4.48Å; Q215-L219 PolarHBondContact O-N 3.42Å; L219-T221 VanDerWaalsContact C-N 3.28Å; L219-T221 PolarHBondContact O-N 2.9Å; L219-V222 PolarHBondContact O-N 3.28Å; L219-F223 HydrophobicContact CB-CE1 4.46Å; L219-F223 HydrophobicContact CB-CE2 4.18Å; L219-F223 HydrophobicContact CB-CZ 3.96Å; L219-F223 VanDerWaalsContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD2 3.2Å; L219-F223 WeakPolarHBondContact O-CG 3.23Å; L219-F223 PolarHBondContact O-N 2.95Å; L219-H241 HydrophobicContact CD1-CB 4.36Å; L219-H241 WeakPolarHBondContact CD1-CD2 3.42Å
220N97.1Very high97Very high89 Ų8941.7 Ų41.748%0.47625%0.251SS..Hα-helixtrans-63.5-37.2175.9-71-26.8000111.7S216 H218 F223 A224S216-N220 VanDerWaalsContact O-CB 3.27Å; S216-N220 WeakPolarHBondContact O-CB 3.3Å; S216-N220 PolarHBondContact O-N 2.67Å; S216-N220 PolarHBondContact O-ND2 3.04Å; S216-N220 VanDerWaalsContact O-ND2 3.13Å; H218-N220 PolarHBondContact O-N 3.19Å; N220-F223 PolarHBondContact O-N 2.79Å; N220-A224 WeakPolarHBondContact O-CB 3.34Å; N220-A224 PolarHBondContact O-N 2.89Å
221T98Very high96.9Very high6 Ų642 Ų424%0.03725%0.251CS..Hα-helixtrans-66.8-42.3174.8-53.50000111.1P169 C172 L176 V217 H218 L219 F223 A224 G225P169-T221 HydrophobicContact CG-CG2 3.82Å; P169-T221 WeakPolarHBondContact CG-O 3.35Å; C172-T221 HydrophobicContact CB-CG2 4.13Å; L176-T221 HydrophobicContact CD1-CG2 4.24Å; L176-T221 HydrophobicContact CD2-CG2 3.58Å; L176-T221 HydrophobicContact CG-CG2 3.65Å; V217-T221 WeakPolarHBondContact O-CB 3.33Å; V217-T221 PolarHBondContact O-N 3.08Å; V217-T221 VanDerWaalsContact O-N 3.07Å; V217-T221 PolarHBondContact O-OG1 3.23Å; H218-T221 WeakPolarHBondContact O-CB 3.43Å; H218-T221 PolarHBondContact O-N 3.17Å; H218-T221 VanDerWaalsContact O-N 3.09Å; L219-T221 VanDerWaalsContact C-N 3.28Å; L219-T221 PolarHBondContact O-N 2.9Å; T221-F223 PolarHBondContact O-N 2.97Å; T221-A224 PolarHBondContact O-N 3.26Å; T221-G225 PolarHBondContact O-N 3.09Å
222V98.2Very high96.9Very high0 Ų041.1 Ų41.10%024%0.243CC..Hα-helixtrans-59.4-45.2172.9169.30000111.4L176 D191 L192 L195 H218 L219 G225 A226L176-V222 HydrophobicContact CD1-CG2 4.47Å; L176-V222 HydrophobicContact CD2-CG2 3.95Å; D191-V222 HydrophobicContact CB-CG1 4.17Å; D191-V222 HydrophobicContact CB-CG2 4.2Å; L192-V222 HydrophobicContact CD2-CG1 3.93Å; L192-V222 WeakPolarHBondContact CD2-O 3.33Å; L192-V222 HydrophobicContact CG-CG1 4.16Å; L195-V222 HydrophobicContact CD2-CG1 4.41Å; H218-V222 WeakPolarHBondContact O-CG2 3.4Å; H218-V222 PolarHBondContact O-N 3.44Å; L219-V222 PolarHBondContact O-N 3.28Å; V222-G225 PolarHBondContact O-N 2.9Å; V222-A226 WeakPolarHBondContact O-CB 3.36Å; V222-A226 PolarHBondContact O-N 3.44Å
223F98.1Very high96.9Very high12 Ų1242.4 Ų42.45%0.05325%0.25CS..Hα-helixtrans-64.8-45.6179.5-57.7-19.1000111.5L195 Y209 L219 N220 T221 G225 A226 E227 Y232 V239 H241L195-F223 HydrophobicContact CD2-CD1 3.95Å; L195-F223 HydrophobicContact CD2-CE1 4.48Å; Y209-F223 AromaticContact CD2-CE1 3.74Å; Y209-F223 HydrophobicContact CD2-CE1 3.74Å; Y209-F223 AromaticContact CD2-CZ 3.59Å; Y209-F223 HydrophobicContact CD2-CZ 3.59Å; Y209-F223 AromaticContact CE2-CE1 3.65Å; Y209-F223 HydrophobicContact CE2-CE1 3.65Å; Y209-F223 HydrophobicContact CE2-CZ 4.01Å; Y209-F223 HydrophobicContact CG-CE1 4.26Å; Y209-F223 AromaticContact CG-CZ 3.95Å; Y209-F223 HydrophobicContact CG-CZ 3.95Å; L219-F223 HydrophobicContact CB-CE1 4.46Å; L219-F223 HydrophobicContact CB-CE2 4.18Å; L219-F223 HydrophobicContact CB-CZ 3.96Å; L219-F223 VanDerWaalsContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD2 3.2Å; L219-F223 WeakPolarHBondContact O-CG 3.23Å; L219-F223 PolarHBondContact O-N 2.95Å; N220-F223 PolarHBondContact O-N 2.79Å; T221-F223 PolarHBondContact O-N 2.97Å; F223-G225 VanDerWaalsContact C-N 3.27Å; F223-G225 PolarHBondContact O-N 3.42Å; F223-A226 PolarHBondContact O-N 3.32Å; F223-E227 PolarHBondContact O-N 3.43Å; F223-Y232 WeakPolarHBondContact O-CE1 3.21Å; F223-Y232 PolarHBondContact O-OH 3.46Å; F223-V239 HydrophobicContact CD1-CG1 3.55Å; F223-V239 HydrophobicContact CD2-CG1 4.29Å; F223-V239 HydrophobicContact CE1-CG1 3.6Å; F223-V239 HydrophobicContact CE2-CG1 4.31Å; F223-V239 HydrophobicContact CG-CG1 3.93Å; F223-V239 HydrophobicContact CZ-CG1 3.99Å; F223-H241 HydrophobicContact CE2-CB 3.99Å; F223-H241 HydrophobicContact CZ-CB 4.46Å
224A97.8Very high96.9Very high20 Ų2041.7 Ų41.717%0.16525%0.251CS..Hα-helixtrans-60.5-38.2174.700000111.9P169 N220 T221 M228P169-A224 HydrophobicContact CB-CB 3.71Å; N220-A224 WeakPolarHBondContact O-CB 3.34Å; N220-A224 PolarHBondContact O-N 2.89Å; T221-A224 PolarHBondContact O-N 3.26Å; A224-M228 WeakPolarHBondContact O-CB 3.42Å; A224-M228 PolarHBondContact O-N 3.49Å
225G97.6Very high97Very high0 Ų045.9 Ų45.90%026%0.258CS..Hα-helixtrans-62.9-48.217400000111.9T221 V222 F223 E227 M228 L229T221-G225 PolarHBondContact O-N 3.09Å; V222-G225 PolarHBondContact O-N 2.9Å; F223-G225 VanDerWaalsContact C-N 3.27Å; F223-G225 PolarHBondContact O-N 3.42Å; G225-E227 PolarHBondContact O-N 3.25Å; G225-M228 PolarHBondContact O-N 3.01Å; G225-L229 WeakPolarHBondContact O-CB 3.48Å; G225-L229 WeakPolarHBondContact O-CD1 3.02Å; G225-L229 WeakPolarHBondContact O-CG 3.15Å; G225-L229 PolarHBondContact O-N 2.69Å
226A97.8Very high97Very high0 Ų045.9 Ų45.90%027%0.265CS..Hα-helixtrans-64.6-36.1177.800000113.1L192 L195 V222 F223 G230 Y231 Y232L192-A226 HydrophobicContact CD2-CB 4.15Å; L195-A226 HydrophobicContact CD2-CB 3.54Å; L195-A226 HydrophobicContact CG-CB 4.32Å; V222-A226 WeakPolarHBondContact O-CB 3.36Å; V222-A226 PolarHBondContact O-N 3.44Å; F223-A226 PolarHBondContact O-N 3.32Å; A226-G230 PolarHBondContact O-N 3.27Å; A226-Y231 HydrophobicContact CB-CD2 3.89Å; A226-Y231 WeakPolarHBondContact O-CB 3.33Å; A226-Y231 PolarHBondContact O-N 3.39Å; A226-Y232 HydrophobicContact CB-CD1 4.14Å; A226-Y232 HydrophobicContact CB-CE1 3.97Å
227E97.6Very high97Very high96 Ų9646.7 Ų46.745%0.44927%0.265SS..Hα-helixtrans-65.6-46173-175.7178.3170.600111F223 G225 L229 G230 Y232 P234F223-E227 PolarHBondContact O-N 3.43Å; G225-E227 PolarHBondContact O-N 3.25Å; E227-L229 VanDerWaalsContact C-N 3.25Å; E227-L229 PolarHBondContact O-N 2.65Å; E227-G230 PolarHBondContact O-N 3.14Å; E227-Y232 HydrophobicContact CB-CE1 3.9Å; E227-P234 HydrophobicContact CG-CG 4.22Å; E227-P234 WeakPolarHBondContact OE1-CG 3.43Å
228M96.5Very high97Very high75 Ų7546.8 Ų46.837%0.36926%0.258SS..Hα-helixtrans-58.4-39.4177.4-175.6-175.480.800112.1L167 P170 A224 G225 G230L167-M228 HydrophobicContact CD1-CE 3.47Å; L167-M228 VanDerWaalsContact CD1-CE 3.47Å; L167-M228 HydrophobicContact CD2-CE 4.3Å; L167-M228 HydrophobicContact CG-CE 3.92Å; P170-M228 HydrophobicContact CG-CB 4.24Å; P170-M228 HydrophobicContact CG-CG 4.14Å; P170-M228 HydrophobicContact CG-SD 4.1Å; A224-M228 WeakPolarHBondContact O-CB 3.42Å; A224-M228 PolarHBondContact O-N 3.49Å; G225-M228 PolarHBondContact O-N 3.01Å; M228-G230 PolarHBondContact O-N 3.49Å
229L96.7Very high97.1Very high20 Ų2045.9 Ų45.911%0.10526%0.255CS..THydrogen-bonded Turntrans-77.3-1.6178.2-63.9166.7000113.1L152 V157 L167 G225 E227 Y231L152-L229 HydrophobicContact CD2-CD1 3.7Å; L152-L229 HydrophobicContact CD2-CD2 3.5Å; L152-L229 HydrophobicContact CD2-CG 4.23Å; V157-L229 HydrophobicContact CB-CD2 4.46Å; V157-L229 HydrophobicContact CG1-CD2 4.44Å; V157-L229 HydrophobicContact CG2-CD2 3.89Å; L167-L229 HydrophobicContact CD2-CD1 3.89Å; L167-L229 HydrophobicContact CD2-CG 4.47Å; G225-L229 WeakPolarHBondContact O-CB 3.48Å; G225-L229 WeakPolarHBondContact O-CD1 3.02Å; G225-L229 WeakPolarHBondContact O-CG 3.15Å; G225-L229 PolarHBondContact O-N 2.69Å; E227-L229 VanDerWaalsContact C-N 3.25Å; E227-L229 PolarHBondContact O-N 2.65Å; L229-Y231 VanDerWaalsContact C-N 3.32Å; L229-Y231 HydrophobicContact CB-CD1 3.93Å; L229-Y231 HydrophobicContact CB-CD2 4.14Å; L229-Y231 HydrophobicContact CB-CE1 3.64Å; L229-Y231 HydrophobicContact CB-CE2 3.83Å; L229-Y231 HydrophobicContact CB-CG 4.18Å; L229-Y231 HydrophobicContact CD1-CD2 4.38Å; L229-Y231 HydrophobicContact CD1-CE2 3.55Å; L229-Y231 HydrophobicContact CG-CE2 4.35Å; L229-Y231 PolarHBondContact O-N 3.45Å
230G95.9Very high97Very high58 Ų5849 Ų4960%0.59827%0.269SS*.THydrogen-bonded Turntrans74.218.6178.300000114.3A226 E227 M228 Y232A226-G230 PolarHBondContact O-N 3.27Å; E227-G230 PolarHBondContact O-N 3.14Å; M228-G230 PolarHBondContact O-N 3.49Å; G230-Y232 VanDerWaalsContact C-N 3.31Å; G230-Y232 PolarHBondContact O-N 2.86Å
231Y95.6Very high97.1Very high15 Ų1546.3 Ų46.36%0.05925%0.254CS..SBendtrans-71.3-28.6-178.2-60.8-17.4000112.8F148 L196 H200 A226 L229F148-Y231 AromaticContact CE2-CE2 3.59Å; F148-Y231 HydrophobicContact CE2-CE2 3.59Å; F148-Y231 AromaticContact CE2-CZ 3.69Å; F148-Y231 WeakPolarHBondContact CE2-OH 3.48Å; F148-Y231 HydrophobicContact CZ-CE2 4.21Å; L196-Y231 HydrophobicContact CB-CD2 4.23Å; L196-Y231 HydrophobicContact CB-CE2 4.39Å; L196-Y231 HydrophobicContact CD1-CD1 3.75Å; L196-Y231 HydrophobicContact CD1-CD2 4.14Å; L196-Y231 HydrophobicContact CD1-CE1 4.07Å; L196-Y231 HydrophobicContact CD1-CE2 4.46Å; L196-Y231 HydrophobicContact CD1-CG 3.79Å; H200-Y231 PolarHBondContact NE2-O 3.41Å; A226-Y231 HydrophobicContact CB-CD2 3.89Å; A226-Y231 WeakPolarHBondContact O-CB 3.33Å; A226-Y231 PolarHBondContact O-N 3.39Å; L229-Y231 VanDerWaalsContact C-N 3.32Å; L229-Y231 HydrophobicContact CB-CD1 3.93Å; L229-Y231 HydrophobicContact CB-CD2 4.14Å; L229-Y231 HydrophobicContact CB-CE1 3.64Å; L229-Y231 HydrophobicContact CB-CE2 3.83Å; L229-Y231 HydrophobicContact CB-CG 4.18Å; L229-Y231 HydrophobicContact CD1-CD2 4.38Å; L229-Y231 HydrophobicContact CD1-CE2 3.55Å; L229-Y231 HydrophobicContact CG-CE2 4.35Å; L229-Y231 PolarHBondContact O-N 3.45Å
232Y97.6Very high97.1Very high25 Ų2546.2 Ų46.210%0.09825%0.253CS..  trans-145.8162.3170.575.7-76000111.8L199 F223 A226 E227 G230 P234 H237 V239L199-Y232 HydrophobicContact CD1-CD1 4.18Å; L199-Y232 HydrophobicContact CD1-CG 4.29Å; F223-Y232 WeakPolarHBondContact O-CE1 3.21Å; F223-Y232 PolarHBondContact O-OH 3.46Å; A226-Y232 HydrophobicContact CB-CD1 4.14Å; A226-Y232 HydrophobicContact CB-CE1 3.97Å; E227-Y232 HydrophobicContact CB-CE1 3.9Å; G230-Y232 VanDerWaalsContact C-N 3.31Å; G230-Y232 PolarHBondContact O-N 2.86Å; Y232-P234 HydrophobicContact CD2-CG 4.39Å; Y232-P234 HydrophobicContact CE2-CB 4.35Å; Y232-P234 HydrophobicContact CE2-CG 3.79Å; Y232-H237 HydrophobicContact CD2-CB 4.21Å; Y232-V239 HydrophobicContact CD1-CG2 4.26Å; Y232-V239 HydrophobicContact CD2-CG2 3.87Å; Y232-V239 HydrophobicContact CE1-CG2 4.32Å; Y232-V239 HydrophobicContact CE2-CB 4.21Å; Y232-V239 HydrophobicContact CE2-CG2 3.95Å; Y232-V239 HydrophobicContact CG-CG2 4.04Å
233N96.2Very high97.1Very high74 Ų7446.3 Ų46.340%0.39625%0.254SS..  trans-112.7121.8170-179.2-23.1000108.6N235 V236 H237N233-N235 PolarHBondContact O-N 3.16Å; N233-N235 VanDerWaalsContact O-N 3.1Å; N233-N235 VanDerWaalsContact OD1-CB 3.31Å; N233-N235 WeakPolarHBondContact OD1-CB 3.13Å; N233-N235 PolarHBondContact OD1-N 2.97Å; N233-N235 PolarHBondContact OD1-ND2 3.47Å; N233-V236 HydrophobicContact CB-CB 4.28Å; N233-V236 HydrophobicContact CB-CG2 4.13Å; N233-V236 PolarHBondContact O-N 3.06Å; N233-H237 PolarHBondContact O-N 3.34Å
234P95.6Very high97.1Very high62 Ų6245.9 Ų45.940%0.40325%0.252SS..THydrogen-bonded Turntrans-59.2-18.3178.6-23.831.6000115.3E227 Y232 V236E227-P234 HydrophobicContact CG-CG 4.22Å; E227-P234 WeakPolarHBondContact OE1-CG 3.43Å; Y232-P234 HydrophobicContact CD2-CG 4.39Å; Y232-P234 HydrophobicContact CE2-CB 4.35Å; Y232-P234 HydrophobicContact CE2-CG 3.79Å; P234-V236 VanDerWaalsContact C-N 3.32Å
235N95.8Very high97Very high151 Ų15145.1 Ų45.181%0.80725%0.246SC*.THydrogen-bonded Turntrans-81.4-13.1174.3-57.9-67.7000113.2N233N233-N235 PolarHBondContact O-N 3.16Å; N233-N235 VanDerWaalsContact O-N 3.1Å; N233-N235 VanDerWaalsContact OD1-CB 3.31Å; N233-N235 WeakPolarHBondContact OD1-CB 3.13Å; N233-N235 PolarHBondContact OD1-N 2.97Å; N233-N235 PolarHBondContact OD1-ND2 3.47Å
236V95.9Very high96.8Very high94 Ų9447.6 Ų47.657%0.5726%0.261SS*.THydrogen-bonded Turntrans-114.4-49.1-177.2179.60000110.4N233 P234N233-V236 HydrophobicContact CB-CB 4.28Å; N233-V236 HydrophobicContact CB-CG2 4.13Å; N233-V236 PolarHBondContact O-N 3.06Å; P234-V236 VanDerWaalsContact C-N 3.32Å
237H97.7Very high96.5Very high45 Ų4548 Ų4821%0.20826%0.264CS..  trans-107.1145-177.1-48.782.6000110L199 A204 D205 Y232 N233L199-H237 HydrophobicContact CD2-CB 4.19Å; A204-H237 PolarHBondContact O-CD2 3.35Å; D205-H237 WeakPolarHBondContact O-CA 3.12Å; Y232-H237 HydrophobicContact CD2-CB 4.21Å; N233-H237 PolarHBondContact O-N 3.34Å
238K96.9Very high96.3Very high99 Ų9944.6 Ų44.643%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-103114.2171.1-64.9179.3-178.8-179.30109D205 W206 V207D205-K238 PolarHBondContact O-N 3.21Å; W206-K238 CarbonylContact C-O 3.54Å; W206-K238 VanDerWaalsContact CA-O 3.28Å; W206-K238 WeakPolarHBondContact CA-O 3.32Å; W206-K238 HydrophobicContact CB-CB 4.35Å; W206-K238 HydrophobicContact CD2-CB 4.17Å; W206-K238 HydrophobicContact CD2-CD 3.86Å; W206-K238 HydrophobicContact CE3-CD 4.33Å; W206-K238 HydrophobicContact CG-CB 3.71Å; W206-K238 HydrophobicContact CG-CD 4.25Å; W206-K238 HydrophobicContact CH2-CD 4.29Å; W206-K238 HydrophobicContact CZ2-CD 3.82Å; V207-K238 PolarHBondContact N-O 2.65Å
239V98.1Very high96Very high18 Ų1841.3 Ų41.311%0.10923%0.234CC..EExtended strand (participates in β ladder)trans-116.5116.4171.8-176.50000107.3L195 L199 V207 Y209 F223 Y232L195-V239 HydrophobicContact CD1-CG1 4Å; L195-V239 HydrophobicContact CD1-CG2 4.22Å; L195-V239 HydrophobicContact CD2-CG1 4.26Å; L199-V239 HydrophobicContact CD2-CG2 4.35Å; V207-V239 WeakPolarHBondContact O-CA 3.46Å; Y209-V239 HydrophobicContact CE2-CG1 4.19Å; F223-V239 HydrophobicContact CD1-CG1 3.55Å; F223-V239 HydrophobicContact CD2-CG1 4.29Å; F223-V239 HydrophobicContact CE1-CG1 3.6Å; F223-V239 HydrophobicContact CE2-CG1 4.31Å; F223-V239 HydrophobicContact CG-CG1 3.93Å; F223-V239 HydrophobicContact CZ-CG1 3.99Å; Y232-V239 HydrophobicContact CD1-CG2 4.26Å; Y232-V239 HydrophobicContact CD2-CG2 3.87Å; Y232-V239 HydrophobicContact CE1-CG2 4.32Å; Y232-V239 HydrophobicContact CE2-CB 4.21Å; Y232-V239 HydrophobicContact CE2-CG2 3.95Å; Y232-V239 HydrophobicContact CG-CG2 4.04Å
240Q97.1Very high95.7Very high69 Ų6946.1 Ų46.132%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-137.9137.1-169.2-66.8-178.7-50.400113W206 V207 L208 Y209 I242W206-Q240 VanDerWaalsContact CE2-OE1 3.27Å; W206-Q240 VanDerWaalsContact CZ2-OE1 3.23Å; V207-Q240 PolarHBondContact O-N 2.84Å; L208-Q240 HydrophobicContact CD2-CB 3.97Å; Y209-Q240 PolarHBondContact N-O 3.36Å; Q240-I242 HydrophobicContact CB-CD1 4.4Å
241H98.2Very high95.4Very high34 Ų3448.2 Ų48.216%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-85.4115166.8175.5-140.2000110.1Y209 V211 S216 L219 F223 G243Y209-H241 PolarHBondContact O-CD2 3.46Å; V211-H241 PolarHBondContact O-NE2 2.87Å; S216-H241 PolarHBondContact OG-CE1 2.71Å; L219-H241 HydrophobicContact CD1-CB 4.36Å; L219-H241 WeakPolarHBondContact CD1-CD2 3.42Å; F223-H241 HydrophobicContact CE2-CB 3.99Å; F223-H241 HydrophobicContact CZ-CB 4.46Å; H241-G243 VanDerWaalsContact C-N 3.33Å; H241-G243 WeakPolarHBondContact NE2-CA 3.13Å; H241-G243 PolarHBondContact O-N 3.34Å
242I98.3Very high95.2Very high3 Ų355.3 Ų55.32%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-91.176.6171-52.1-52.8000107.8I20 I24 L208 Y209 V210 V211 Q240 F395I20-I242 HydrophobicContact CG2-CG2 4.3Å; I24-I242 HydrophobicContact CD1-CG1 4.46Å; I24-I242 HydrophobicContact CD1-CG2 3.61Å; L208-I242 HydrophobicContact CB-CG1 4.23Å; L208-I242 HydrophobicContact CD2-CD1 4Å; L208-I242 HydrophobicContact CD2-CG1 4.04Å; Y209-I242 PolarHBondContact O-N 2.79Å; V210-I242 HydrophobicContact CB-CB 4.47Å; V210-I242 HydrophobicContact CG1-CG2 4.4Å; V210-I242 HydrophobicContact CG2-CB 4.06Å; V210-I242 HydrophobicContact CG2-CG1 4.42Å; V210-I242 HydrophobicContact CG2-CG2 4.35Å; V211-I242 PolarHBondContact N-O 3.35Å; Q240-I242 HydrophobicContact CB-CD1 4.4Å; I242-F395 HydrophobicContact CD1-CB 4.18Å; I242-F395 HydrophobicContact CD1-CD2 3.42Å; I242-F395 VanDerWaalsContact CD1-CD2 3.42Å; I242-F395 HydrophobicContact CD1-CE2 4Å; I242-F395 HydrophobicContact CD1-CG 4.02Å; I242-F395 HydrophobicContact CG1-CD2 4.5Å
243G97.7Very high94.8Very high2 Ų260.8 Ų60.82%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-64.3142.8179.200000113.9V211 H241 R315V211-G243 WeakPolarHBondContact O-CA 3.38Å; H241-G243 VanDerWaalsContact C-N 3.33Å; H241-G243 WeakPolarHBondContact NE2-CA 3.13Å; H241-G243 PolarHBondContact O-N 3.34Å; G243-R315 PolarHBondContact O-NH1 2.9Å
244F97.9Very high94.4Very high4 Ų464.5 Ų64.52%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-133.9152.1167.156.5-99.4000112.6R16 I20 V210 V211 D212 M213 R315R16-F244 HydrophobicContact CB-CD2 3.86Å; R16-F244 HydrophobicContact CB-CE2 3.84Å; R16-F244 HydrophobicContact CB-CG 4.32Å; R16-F244 HydrophobicContact CB-CZ 4.28Å; I20-F244 HydrophobicContact CD1-CB 3.77Å; I20-F244 HydrophobicContact CD1-CD1 4.05Å; I20-F244 HydrophobicContact CD1-CG 4.02Å; V210-F244 HydrophobicContact CG1-CD1 4.15Å; V210-F244 HydrophobicContact CG1-CE1 4.07Å; V211-F244 PolarHBondContact O-N 3.46Å; D212-F244 HydrophobicContact CB-CD2 4.42Å; D212-F244 HydrophobicContact CB-CE2 3.82Å; D212-F244 HydrophobicContact CB-CZ 4.16Å; D212-F244 VanDerWaalsContact N-CZ 3.27Å; M213-F244 WeakPolarHBondContact CG-O 3.47Å; M213-F244 PolarHBondContact N-O 3.28Å; F244-R315 CarbonylContact C-O 3.58Å; F244-R315 WeakPolarHBondContact CA-O 3.44Å; F244-R315 HydrophobicContact CB-CB 4.2Å; F244-R315 WeakPolarHBondContact CB-O 3.44Å
245G95.9Very high94Very high3 Ų363.4 Ų63.43%0.03131%0.31CS..PPolyproline II helixtrans-75.5173.8178.400000113.6R16 R315R16-G245 PolarHBondContact NH1-O 2.73Å; G245-R315 PolarHBondContact N-O 3.44Å
246V93.3Very high93.3Very high53 Ų5361.8 Ų61.832%0.32130%0.296SS..PPolyproline II helixtrans-78161.5-176.7-62.80000112.2L248 D318 Y319V246-L248 HydrophobicContact CG2-CD2 3.81Å; V246-L248 HydrophobicContact CG2-CG 4.36Å; V246-D318 HydrophobicContact CG2-CB 4.28Å; V246-D318 VanDerWaalsContact CG2-CG 3.48Å; V246-D318 VanDerWaalsContact CG2-OD1 3.31Å; V246-D318 WeakPolarHBondContact CG2-OD1 3.08Å; V246-D318 PolarHBondContact N-OD1 3.16Å; V246-D318 WeakPolarHBondContact O-CA 3.04Å; V246-Y319 PolarHBondContact O-N 3.44Å
247V92.1Very high92.3Very high9 Ų959.7 Ų59.76%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-91.6125.2172.4-172.80000109.8V12 R16 F255 Y319 F321V12-V247 HydrophobicContact CB-CB 4.08Å; V12-V247 HydrophobicContact CB-CG1 4.11Å; V12-V247 HydrophobicContact CB-CG2 3.94Å; V12-V247 HydrophobicContact CG2-CB 3.64Å; V12-V247 HydrophobicContact CG2-CG1 3.97Å; V12-V247 HydrophobicContact CG2-CG2 3.93Å; R16-V247 HydrophobicContact CG-CG2 3.68Å; V247-F255 HydrophobicContact CB-CB 4.38Å; V247-F255 HydrophobicContact CG1-CB 3.92Å; V247-F255 HydrophobicContact CG1-CD1 4.45Å; V247-F255 HydrophobicContact CG1-CG 4.26Å; V247-F255 WeakPolarHBondContact O-CB 3.46Å; V247-F255 PolarHBondContact O-N 3.04Å; V247-Y319 CarbonylContact C-O 3.54Å; V247-Y319 WeakPolarHBondContact CA-O 3.14Å; V247-Y319 HydrophobicContact CG1-CD1 4.13Å; V247-Y319 HydrophobicContact CG1-CE1 4.5Å; V247-Y319 HydrophobicContact CG2-CD1 4.25Å; V247-F321 HydrophobicContact CG1-CB 3.9Å
248L93.1Very high91.2Very high23 Ų2370.2 Ų70.212%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-110.1151.1179.2-56.1179.5000110.6V246 K253 D318 Y319 V320 F321V246-L248 HydrophobicContact CG2-CD2 3.81Å; V246-L248 HydrophobicContact CG2-CG 4.36Å; L248-K253 CarbonylContact C-O 3.47Å; L248-K253 WeakPolarHBondContact CA-O 3.47Å; L248-D318 HydrophobicContact CD1-CB 3.71Å; L248-D318 HydrophobicContact CG-CB 4.11Å; L248-Y319 PolarHBondContact N-O 3.36Å; L248-V320 HydrophobicContact CB-CG2 4.19Å; L248-V320 HydrophobicContact CD1-CG2 4.4Å; L248-F321 PolarHBondContact O-N 3.18Å
249G91.1Very high90Very high6 Ų669.9 Ų69.96%0.06233%0.331CS..  trans-79176.3163.900000112.2D251 K252 K253G249-D251 PolarHBondContact O-N 2.92Å; G249-D251 VanDerWaalsContact O-N 3.14Å; G249-K252 WeakPolarHBondContact O-CA 3.27Å; G249-K252 PolarHBondContact O-N 3.5Å; G249-K253 PolarHBondContact N-O 2.96Å
250E89.3Confident88.9Confident121 Ų12170.5 Ų70.557%0.56534%0.341SS*.THydrogen-bonded Turntrans-60.9-22176.8-61-169.7135.300113K252 S322E250-K252 PolarHBondContact O-N 3.27Å; E250-S322 WeakPolarHBondContact OE1-CB 3.47Å; E250-S322 PolarHBondContact OE1-OG 3.19Å
251D90.6Very high87.8Confident103 Ų10371 Ų7155%0.55135%0.346SS*.THydrogen-bonded Turntrans-77.62.3172.772.6-16.4000114G249 K253G249-D251 PolarHBondContact O-N 2.92Å; G249-D251 VanDerWaalsContact O-N 3.14Å; D251-K253 PolarHBondContact O-N 2.91Å; D251-K253 PolarHBondContact OD1-N 3.21Å; D251-K253 WeakPolarHBondContact OD2-CD 3.41Å
252K90.9Very high86.7Confident163 Ų16372.8 Ų72.871%0.70936%0.36SS*.SBendtrans60.420.7-175.5-56.8-176.4176.6-176.80114.3G249 E250G249-K252 WeakPolarHBondContact O-CA 3.27Å; G249-K252 PolarHBondContact O-N 3.5Å; E250-K252 PolarHBondContact O-N 3.27Å
253K90.3Very high86Confident140 Ų14073.7 Ų73.761%0.60937%0.366SS*.SBendtrans-103.9165.8171.3-60.7-179.6-175.9169.60110.1L248 G249 D251 F255L248-K253 CarbonylContact C-O 3.47Å; L248-K253 WeakPolarHBondContact CA-O 3.47Å; G249-K253 PolarHBondContact N-O 2.96Å; D251-K253 PolarHBondContact O-N 2.91Å; D251-K253 PolarHBondContact OD1-N 3.21Å; D251-K253 WeakPolarHBondContact OD2-CD 3.41Å; K253-F255 PolarHBondContact O-N 3.49Å
254K86.7Confident85.4Confident152 Ų15278.1 Ų78.166%0.66138%0.381SS*.BIsolated β-bridgetrans-52.1126.5178.4-171.4170.7-174.7171.50110.1K256K254-K256 PolarHBondContact O-N 3.35Å
255F86.9Confident84.9Confident39 Ų3978 Ų7817%0.17138%0.381CS..PPolyproline II helixtrans-62.7118.2-174-167.5-115.4000111.3V12 V247 K253 V263 L268 F321V12-F255 HydrophobicContact CG1-CD1 3.73Å; V12-F255 HydrophobicContact CG1-CE1 4.03Å; V12-F255 HydrophobicContact CG2-CB 4.4Å; V12-F255 HydrophobicContact CG2-CD1 4.16Å; V247-F255 HydrophobicContact CB-CB 4.38Å; V247-F255 HydrophobicContact CG1-CB 3.92Å; V247-F255 HydrophobicContact CG1-CD1 4.45Å; V247-F255 HydrophobicContact CG1-CG 4.26Å; V247-F255 WeakPolarHBondContact O-CB 3.46Å; V247-F255 PolarHBondContact O-N 3.04Å; K253-F255 PolarHBondContact O-N 3.49Å; F255-V263 HydrophobicContact CD1-CB 4.17Å; F255-V263 HydrophobicContact CD1-CG2 3.79Å; F255-V263 HydrophobicContact CE1-CB 3.95Å; F255-V263 HydrophobicContact CE1-CG1 4.04Å; F255-V263 HydrophobicContact CE1-CG2 3.63Å; F255-V263 HydrophobicContact CZ-CG2 4.34Å; F255-L268 HydrophobicContact CE1-CD1 4.17Å; F255-F321 HydrophobicContact CD2-CB 4.35Å; F255-F321 HydrophobicContact CE1-CD1 4.21Å; F255-F321 HydrophobicContact CE1-CG 4.45Å; F255-F321 HydrophobicContact CE2-CB 4.21Å; F255-F321 AromaticContact CE2-CD1 3.84Å; F255-F321 HydrophobicContact CE2-CD1 3.84Å; F255-F321 HydrophobicContact CE2-CG 4.34Å; F255-F321 HydrophobicContact CZ-CB 4.42Å; F255-F321 AromaticContact CZ-CD1 3.52Å; F255-F321 HydrophobicContact CZ-CD1 3.52Å; F255-F321 HydrophobicContact CZ-CE1 4.04Å; F255-F321 HydrophobicContact CZ-CG 4.1Å
256K81.7Confident84.6Confident118 Ų11880.3 Ų80.351%0.51339%0.394SS..  trans-143.2158.3-174.4-76.2178.4162.2-140.60109.9K254 G260 D261K254-K256 PolarHBondContact O-N 3.35Å; K256-G260 VanDerWaalsContact CD-O 3.3Å; K256-G260 WeakPolarHBondContact CD-O 3.44Å; K256-G260 WeakPolarHBondContact CE-O 3.42Å; K256-G260 PolarHBondContact NZ-O 2.75Å; K256-D261 CarbonylContact C-O 3.46Å; K256-D261 WeakPolarHBondContact CA-O 3.32Å; K256-D261 WeakPolarHBondContact CB-O 3.44Å
257T75.7Confident84.4Confident49 Ų4980.8 Ų80.830%0.30140%0.395SS..  trans-65.9168.5170.265.90000110.4S259 G260 D261 V263T257-S259 PolarHBondContact O-N 3.47Å; T257-S259 PolarHBondContact OG1-N 3.08Å; T257-S259 PolarHBondContact OG1-OG 3.01Å; T257-G260 PolarHBondContact O-N 3.31Å; T257-G260 PolarHBondContact OG1-N 2.8Å; T257-D261 HydrophobicContact CG2-CB 4.44Å; T257-D261 PolarHBondContact N-O 3.32Å; T257-D261 WeakPolarHBondContact OG1-CA 3.33Å; T257-D261 WeakPolarHBondContact OG1-CB 3.34Å; T257-D261 PolarHBondContact OG1-N 2.97Å; T257-D261 PolarHBondContact OG1-O 2.74Å; T257-V263 HydrophobicContact CG2-CB 4.44Å; T257-V263 HydrophobicContact CG2-CG2 3.84Å
258R73.2Confident84.3Confident266 Ų26680.6 Ų80.6100%1.00439%0.394SS*.THydrogen-bonded Turntrans-58.5-27.6174.1-70.1-176.6-179.8176.41113.3G260R258-G260 VanDerWaalsContact C-N 3.28Å
259S71.3Confident84.4Confident92 Ų9279.6 Ų79.664%0.64339%0.388SS*.THydrogen-bonded Turntrans-78.4-9.9174.4570000113.4T257 D261T257-S259 PolarHBondContact O-N 3.47Å; T257-S259 PolarHBondContact OG1-N 3.08Å; T257-S259 PolarHBondContact OG1-OG 3.01Å; S259-D261 WeakPolarHBondContact CB-OD2 3.31Å; S259-D261 PolarHBondContact OG-OD2 3.44Å
260G75.4Confident84.6Confident31 Ų3182.9 Ų82.932%0.3241%0.405SS..SBendtrans88.43.1-174.800000114.3K256 T257 R258K256-G260 VanDerWaalsContact CD-O 3.3Å; K256-G260 WeakPolarHBondContact CD-O 3.44Å; K256-G260 WeakPolarHBondContact CE-O 3.42Å; K256-G260 PolarHBondContact NZ-O 2.75Å; T257-G260 PolarHBondContact O-N 3.31Å; T257-G260 PolarHBondContact OG1-N 2.8Å; R258-G260 VanDerWaalsContact C-N 3.28Å
261D73.5Confident84.7Confident80 Ų8080.7 Ų80.743%0.42839%0.394SS..PPolyproline II helixtrans-76.6167.3174.5-66.5-58.9000111.9K256 T257 S259K256-D261 CarbonylContact C-O 3.46Å; K256-D261 WeakPolarHBondContact CA-O 3.32Å; K256-D261 WeakPolarHBondContact CB-O 3.44Å; T257-D261 HydrophobicContact CG2-CB 4.44Å; T257-D261 PolarHBondContact N-O 3.32Å; T257-D261 WeakPolarHBondContact OG1-CA 3.33Å; T257-D261 WeakPolarHBondContact OG1-CB 3.34Å; T257-D261 PolarHBondContact OG1-N 2.97Å; T257-D261 PolarHBondContact OG1-O 2.74Å; S259-D261 WeakPolarHBondContact CB-OD2 3.31Å; S259-D261 PolarHBondContact OG-OD2 3.44Å
262T76Confident84.9Confident72 Ų7275.9 Ų75.944%0.44237%0.369SS..PPolyproline II helixtrans-72.7135.1176.4-37.40000109.7H11 R264H11-T262 HydrophobicContact CB-CG2 3.34Å; T262-R264 PolarHBondContact O-N 2.62Å
263V83.5Confident85.1Confident22 Ų2269.4 Ų69.413%0.13334%0.342CS..PPolyproline II helixtrans-72.9127.9176.3-177.70000109.6F255 T257 L268F255-V263 HydrophobicContact CD1-CB 4.17Å; F255-V263 HydrophobicContact CD1-CG2 3.79Å; F255-V263 HydrophobicContact CE1-CB 3.95Å; F255-V263 HydrophobicContact CE1-CG1 4.04Å; F255-V263 HydrophobicContact CE1-CG2 3.63Å; F255-V263 HydrophobicContact CZ-CG2 4.34Å; T257-V263 HydrophobicContact CG2-CB 4.44Å; T257-V263 HydrophobicContact CG2-CG2 3.84Å; V263-L268 HydrophobicContact CG1-CB 4.4Å
264R84.6Confident85.4Confident94 Ų9466.8 Ų66.836%0.35533%0.332SS..PPolyproline II helixtrans-73.5137176.6-45.1-163.2-73.7175.44.9109.9E9 T262 V266 D267 L268E9-R264 WeakPolarHBondContact OE1-CD 3.28Å; E9-R264 IonicContact OE1-NH1 3.57Å; E9-R264 WeakPolarHBondContact OE2-CD 3.35Å; E9-R264 WeakPolarHBondContact OE2-CG 3.4Å; T262-R264 PolarHBondContact O-N 2.62Å; R264-V266 VanDerWaalsContact C-N 3.34Å; R264-V266 PolarHBondContact O-N 3.23Å; R264-D267 HydrophobicContact CB-CB 4.34Å; R264-D267 IonicContact CZ-OD1 3.18Å; R264-D267 IonicContact CZ-OD2 2.72Å; R264-D267 IonicContact NE-OD1 2.86Å; R264-D267 PolarHBondContact NE-OD1 3.07Å; R264-D267 IonicContact NE-OD2 3.5Å; R264-D267 PolarHBondContact NE-OD2 3.27Å; R264-D267 IonicContact NH2-OD1 2.7Å; R264-D267 PolarHBondContact NH2-OD1 3.29Å; R264-D267 IonicContact NH2-OD2 2.69Å; R264-D267 PolarHBondContact NH2-OD2 3.47Å; R264-D267 PolarHBondContact O-N 3.34Å; R264-L268 PolarHBondContact O-N 3.42Å
265L89Confident85.7Confident3 Ų363.2 Ų63.22%0.01631%0.314CS..Hα-helixtrans-64.8-38179.2-69.2-168.3000113M10 H11 V12 L15 V124 D267 L268 L269M10-L265 HydrophobicContact CB-CB 4.35Å; M10-L265 HydrophobicContact CB-CD1 3.48Å; M10-L265 VanDerWaalsContact CB-CD1 3.48Å; M10-L265 HydrophobicContact CB-CG 3.86Å; M10-L265 HydrophobicContact CE-CD1 4.08Å; M10-L265 WeakPolarHBondContact O-CG 3.07Å; M10-L265 PolarHBondContact O-N 2.85Å; M10-L265 HydrophobicContact SD-CD1 4.45Å; H11-L265 VanDerWaalsContact C-CD2 3.47Å; V12-L265 HydrophobicContact CG1-CD2 4.13Å; L15-L265 HydrophobicContact CB-CD1 3.81Å; L15-L265 HydrophobicContact CB-CD2 3.7Å; L15-L265 HydrophobicContact CB-CG 4.42Å; L15-L265 HydrophobicContact CD1-CD1 4.33Å; L15-L265 HydrophobicContact CD2-CD2 4.02Å; L15-L265 HydrophobicContact CG-CD2 4.32Å; V124-L265 HydrophobicContact CG1-CD1 4.25Å; V124-L265 HydrophobicContact CG2-CB 4.45Å; L265-D267 PolarHBondContact O-N 2.86Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.31Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.09Å; L265-L269 PolarHBondContact O-N 3.18Å
266V88.8Confident86.1Confident50 Ų5061.3 Ų61.330%0.30331%0.306SS..Hα-helixtrans-58.1-50.1178.4178.60000110.4V124 R264 L268 L269 D270V124-V266 HydrophobicContact CG2-CG2 3.93Å; R264-V266 VanDerWaalsContact C-N 3.34Å; R264-V266 PolarHBondContact O-N 3.23Å; V266-L268 VanDerWaalsContact C-N 3.29Å; V266-L268 PolarHBondContact O-N 2.72Å; V266-L269 PolarHBondContact O-N 3.2Å; V266-L269 VanDerWaalsContact O-N 3.14Å; V266-D270 VanDerWaalsContact O-CG 3.24Å; V266-D270 PolarHBondContact O-N 2.59Å
267D89.1Confident86.7Confident64 Ų6459.4 Ų59.434%0.34230%0.298SS..Hα-helixtrans-59-40.1177.2-59.9-17.4000112.1R264 L265 D270 E271R264-D267 HydrophobicContact CB-CB 4.34Å; R264-D267 IonicContact CZ-OD1 3.18Å; R264-D267 IonicContact CZ-OD2 2.72Å; R264-D267 IonicContact NE-OD1 2.86Å; R264-D267 PolarHBondContact NE-OD1 3.07Å; R264-D267 IonicContact NE-OD2 3.5Å; R264-D267 PolarHBondContact NE-OD2 3.27Å; R264-D267 IonicContact NH2-OD1 2.7Å; R264-D267 PolarHBondContact NH2-OD1 3.29Å; R264-D267 IonicContact NH2-OD2 2.69Å; R264-D267 PolarHBondContact NH2-OD2 3.47Å; R264-D267 PolarHBondContact O-N 3.34Å; L265-D267 PolarHBondContact O-N 2.86Å; D267-D270 PolarHBondContact O-N 3.21Å; D267-E271 WeakPolarHBondContact O-CB 3.46Å; D267-E271 PolarHBondContact O-N 2.89Å
268L90.8Very high87.5Confident5 Ų560.3 Ų60.33%0.02630%0.301CS..Hα-helixtrans-64.6-42.5178.1-175.8155.9000111.4V12 L15 F255 V263 R264 L265 V266 G272 I306 F321 F323V12-L268 HydrophobicContact CG1-CD1 3.77Å; L15-L268 HydrophobicContact CD2-CD2 4.26Å; F255-L268 HydrophobicContact CE1-CD1 4.17Å; V263-L268 HydrophobicContact CG1-CB 4.4Å; R264-L268 PolarHBondContact O-N 3.42Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.31Å; V266-L268 VanDerWaalsContact C-N 3.29Å; V266-L268 PolarHBondContact O-N 2.72Å; L268-G272 PolarHBondContact O-N 2.97Å; L268-I306 HydrophobicContact CD2-CD1 3.87Å; L268-I306 HydrophobicContact CD2-CG1 4.4Å; L268-I306 HydrophobicContact CD2-CG2 4.42Å; L268-F321 HydrophobicContact CD1-CD2 4.43Å; L268-F321 HydrophobicContact CD1-CE1 4.3Å; L268-F321 HydrophobicContact CD1-CE2 3.77Å; L268-F321 HydrophobicContact CD1-CZ 3.7Å; L268-F321 HydrophobicContact CD2-CE2 4Å; L268-F321 HydrophobicContact CD2-CZ 3.88Å; L268-F321 HydrophobicContact CG-CE2 4.18Å; L268-F321 HydrophobicContact CG-CZ 3.77Å; L268-F323 HydrophobicContact CG-CZ 4.15Å
269L93.9Very high88.3Confident1 Ų152.7 Ų52.71%0.00527%0.272CS..Hα-helixtrans-69.8-34.6177.8-64.4176.4000111.6V124 R127 L128 L265 V266 G272 L273 Y303 I306V124-L269 HydrophobicContact CG1-CD1 4.29Å; R127-L269 HydrophobicContact CB-CD1 4.19Å; R127-L269 PolarHBondContact NH2-O 3.1Å; L128-L269 HydrophobicContact CD2-CD2 3.87Å; L128-L269 HydrophobicContact CG-CD1 4.45Å; L128-L269 HydrophobicContact CG-CD2 4.49Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.09Å; L265-L269 PolarHBondContact O-N 3.18Å; V266-L269 PolarHBondContact O-N 3.2Å; V266-L269 VanDerWaalsContact O-N 3.14Å; L269-G272 PolarHBondContact O-N 2.84Å; L269-L273 PolarHBondContact O-N 2.76Å; L269-Y303 HydrophobicContact CB-CE1 4.38Å; L269-Y303 HydrophobicContact CD2-CD1 4.2Å; L269-Y303 HydrophobicContact CD2-CE1 4.3Å; L269-I306 HydrophobicContact CD2-CD1 3.84Å
270D94.5Very high89.2Confident75 Ų7548.8 Ų48.840%0.40124%0.244SC..Hα-helixtrans-67.6-46.9176.3-69.4-13.4000111R127 V266 D267 G272 L273 E274R127-D270 IonicContact CZ-OD1 2.67Å; R127-D270 IonicContact NH1-OD1 3.11Å; R127-D270 PolarHBondContact NH1-OD1 3.46Å; R127-D270 VanDerWaalsContact NH2-N 3.15Å; R127-D270 IonicContact NH2-OD1 3.17Å; R127-D270 PolarHBondContact NH2-OD1 2.95Å; V266-D270 VanDerWaalsContact O-CG 3.24Å; V266-D270 PolarHBondContact O-N 2.59Å; D267-D270 PolarHBondContact O-N 3.21Å; D270-G272 VanDerWaalsContact C-N 3.29Å; D270-G272 PolarHBondContact O-N 2.78Å; D270-L273 WeakPolarHBondContact O-CB 3.38Å; D270-L273 PolarHBondContact O-N 2.7Å; D270-E274 PolarHBondContact O-N 2.82Å
271E93.3Very high90Very high75 Ų7550.5 Ų50.535%0.3525%0.246SC..Hα-helixtrans-60.1-40.5173.9179.568.1-173.800111.3D267 L273 E274 R275 F323D267-E271 WeakPolarHBondContact O-CB 3.46Å; D267-E271 PolarHBondContact O-N 2.89Å; E271-L273 PolarHBondContact O-N 3.01Å; E271-E274 PolarHBondContact O-N 3.34Å; E271-R275 WeakPolarHBondContact O-CG 3.25Å; E271-R275 PolarHBondContact O-N 2.92Å; E271-R275 IonicContact OE1-CZ 3.35Å; E271-R275 VanDerWaalsContact OE1-CZ 3.25Å; E271-R275 IonicContact OE1-NE 2.86Å; E271-R275 PolarHBondContact OE1-NE 3.5Å; E271-R275 IonicContact OE1-NH2 3.77Å; E271-R275 PolarHBondContact OE1-NH2 2.97Å; E271-F323 HydrophobicContact CB-CE2 4.15Å; E271-F323 HydrophobicContact CB-CZ 3.86Å; E271-F323 HydrophobicContact CG-CD2 4.1Å; E271-F323 HydrophobicContact CG-CE1 4.34Å; E271-F323 HydrophobicContact CG-CE2 3.46Å; E271-F323 VanDerWaalsContact CG-CE2 3.46Å; E271-F323 HydrophobicContact CG-CZ 3.6Å
272G93.9Very high90.8Very high2 Ų252.9 Ų52.92%0.02125%0.254CS..Hα-helixtrans-60.1-42.9174.600000112.9L268 L269 D270 A276 A302L268-G272 PolarHBondContact O-N 2.97Å; L269-G272 PolarHBondContact O-N 2.84Å; D270-G272 VanDerWaalsContact C-N 3.29Å; D270-G272 PolarHBondContact O-N 2.78Å; G272-A276 VanDerWaalsContact O-CB 3.29Å; G272-A276 WeakPolarHBondContact O-CB 3.25Å; G272-A276 PolarHBondContact O-N 2.78Å; G272-A302 WeakPolarHBondContact O-CB 3.4Å
273L95.5Very high91.2Very high28 Ų2855 Ų5515%0.14726%0.258CS..Hα-helixtrans-63.2-45.6175-81.1175.3000112L269 D270 E271 A276 K277 Q298 K299 A302 Y303L269-L273 PolarHBondContact O-N 2.76Å; D270-L273 WeakPolarHBondContact O-CB 3.38Å; D270-L273 PolarHBondContact O-N 2.7Å; E271-L273 PolarHBondContact O-N 3.01Å; L273-A276 PolarHBondContact O-N 3.48Å; L273-K277 WeakPolarHBondContact O-CB 3.3Å; L273-K277 PolarHBondContact O-N 3.46Å; L273-Q298 HydrophobicContact CD2-CG 4.04Å; L273-Q298 PolarHBondContact O-NE2 3.06Å; L273-K299 HydrophobicContact CD2-CG 3.92Å; L273-A302 HydrophobicContact CD2-CB 3.84Å; L273-A302 HydrophobicContact CG-CB 4.25Å; L273-Y303 HydrophobicContact CD1-CE1 4.47Å; L273-Y303 WeakPolarHBondContact CD1-OH 3.44Å; L273-Y303 HydrophobicContact CD2-CE1 4.2Å; L273-Y303 HydrophobicContact CG-CE1 4.06Å
274E96.3Very high91.5Very high85 Ų8559 Ų5940%0.39728%0.275SS..Hα-helixtrans-65-43.7-178.5-177.454.4-15200111.2D270 E271 K277 N278D270-E274 PolarHBondContact O-N 2.82Å; E271-E274 PolarHBondContact O-N 3.34Å; E274-K277 WeakPolarHBondContact O-CB 3.5Å; E274-K277 PolarHBondContact O-N 3.02Å; E274-N278 PolarHBondContact O-N 2.76Å; E274-N278 PolarHBondContact O-ND2 2.9Å; E274-N278 PolarHBondContact OE1-ND2 3.06Å
275R93.9Very high91.5Very high76 Ų7656.6 Ų56.629%0.28727%0.265SS..Hα-helixtrans-65-41.8175.4-68.2-175.9-176.3-130-1112.7E271 K277 N278 R279 F323 D324 L327E271-R275 WeakPolarHBondContact O-CG 3.25Å; E271-R275 PolarHBondContact O-N 2.92Å; E271-R275 IonicContact OE1-CZ 3.35Å; E271-R275 VanDerWaalsContact OE1-CZ 3.25Å; E271-R275 IonicContact OE1-NE 2.86Å; E271-R275 PolarHBondContact OE1-NE 3.5Å; E271-R275 IonicContact OE1-NH2 3.77Å; E271-R275 PolarHBondContact OE1-NH2 2.97Å; R275-K277 VanDerWaalsContact C-N 3.31Å; R275-K277 PolarHBondContact O-N 3.34Å; R275-N278 PolarHBondContact O-N 3.42Å; R275-R279 WeakPolarHBondContact O-CG 3.28Å; R275-R279 PolarHBondContact O-N 2.84Å; R275-F323 VanDerWaalsContact NH1-CB 3.28Å; R275-D324 IonicContact NH1-OD1 3.78Å; R275-D324 PolarHBondContact NH1-OD1 3.41Å; R275-L327 HydrophobicContact CB-CD1 3.38Å; R275-L327 HydrophobicContact CG-CD1 4.35Å
276A93.4Very high91.3Very high0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-61.3-41175.900000111.7G272 L273 R279 L280 Q298 V301 A302G272-A276 VanDerWaalsContact O-CB 3.29Å; G272-A276 WeakPolarHBondContact O-CB 3.25Å; G272-A276 PolarHBondContact O-N 2.78Å; L273-A276 PolarHBondContact O-N 3.48Å; A276-R279 PolarHBondContact O-N 3.43Å; A276-L280 WeakPolarHBondContact O-CG 3.25Å; A276-L280 PolarHBondContact O-N 2.99Å; A276-Q298 HydrophobicContact CB-CG 4.35Å; A276-V301 HydrophobicContact CB-CB 4.15Å; A276-V301 HydrophobicContact CB-CG1 3.82Å; A276-A302 HydrophobicContact CB-CB 3.79Å
277K94.6Very high91.2Very high77 Ų7764.5 Ų64.534%0.33530%0.3SS..Hα-helixtrans-59.1-49.5174177.7178.2178.3-172.30111.6L273 E274 R275 R279 L280 L281 F294 Q298L273-K277 WeakPolarHBondContact O-CB 3.3Å; L273-K277 PolarHBondContact O-N 3.46Å; E274-K277 WeakPolarHBondContact O-CB 3.5Å; E274-K277 PolarHBondContact O-N 3.02Å; R275-K277 VanDerWaalsContact C-N 3.31Å; R275-K277 PolarHBondContact O-N 3.34Å; K277-R279 VanDerWaalsContact C-N 3.3Å; K277-R279 PolarHBondContact O-N 3.1Å; K277-L280 PolarHBondContact O-N 3.36Å; K277-L280 VanDerWaalsContact O-N 3.13Å; K277-L281 HydrophobicContact CG-CD1 4.02Å; K277-L281 HydrophobicContact CG-CG 4.42Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 3.28Å; K277-F294 HydrophobicContact CG-CE1 4.08Å; K277-F294 HydrophobicContact CG-CZ 4.23Å; K277-Q298 HydrophobicContact CB-CG 4.06Å
278N93.4Very high90.9Very high69 Ų6967.7 Ų67.737%0.36931%0.312SS..Hα-helixtrans-60-41.6179.9-70.7-36.6000111.5E274 R275 L280 L281 E282E274-N278 PolarHBondContact O-N 2.76Å; E274-N278 PolarHBondContact O-ND2 2.9Å; E274-N278 PolarHBondContact OE1-ND2 3.06Å; R275-N278 PolarHBondContact O-N 3.42Å; N278-L280 PolarHBondContact O-N 2.92Å; N278-L281 PolarHBondContact O-N 3.48Å; N278-E282 WeakPolarHBondContact O-CG 3.4Å; N278-E282 PolarHBondContact O-N 3.04Å
279R89.3Confident90.8Very high105 Ų10568.2 Ų68.240%0.39632%0.315SS..Hα-helixtrans-60.4-42.8172.8-72.9-61.5-157.1-167.52.5113.5R275 A276 K277 E282 K283 L327R275-R279 WeakPolarHBondContact O-CG 3.28Å; R275-R279 PolarHBondContact O-N 2.84Å; A276-R279 PolarHBondContact O-N 3.43Å; K277-R279 VanDerWaalsContact C-N 3.3Å; K277-R279 PolarHBondContact O-N 3.1Å; R279-E282 IonicContact NH1-OE2 2.72Å; R279-E282 PolarHBondContact NH1-OE2 2.93Å; R279-E282 PolarHBondContact O-N 3.41Å; R279-K283 WeakPolarHBondContact O-CG 3.36Å; R279-K283 PolarHBondContact O-N 3.42Å; R279-L327 PolarHBondContact NE-O 3.01Å
280L90.3Very high90.7Very high11 Ų1172.1 Ų72.16%0.05834%0.339CS..Hα-helixtrans-68.2-36178.5-70.5169.8000112A276 K277 N278 K283 E284 R285 F294 A297 Q298 M462A276-L280 WeakPolarHBondContact O-CG 3.25Å; A276-L280 PolarHBondContact O-N 2.99Å; K277-L280 PolarHBondContact O-N 3.36Å; K277-L280 VanDerWaalsContact O-N 3.13Å; N278-L280 PolarHBondContact O-N 2.92Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 PolarHBondContact O-N 2.88Å; L280-E284 PolarHBondContact O-N 3.39Å; L280-R285 HydrophobicContact CB-CB 4.43Å; L280-R285 HydrophobicContact CD2-CB 4.4Å; L280-R285 HydrophobicContact CD2-CG 4.17Å; L280-R285 WeakPolarHBondContact O-CB 3.25Å; L280-R285 PolarHBondContact O-N 3.19Å; L280-F294 HydrophobicContact CB-CE2 3.65Å; L280-F294 HydrophobicContact CB-CZ 3.83Å; L280-F294 HydrophobicContact CD1-CE2 4.47Å; L280-F294 HydrophobicContact CD1-CZ 4.48Å; L280-A297 HydrophobicContact CD1-CB 4Å; L280-Q298 HydrophobicContact CD1-CB 4.03Å; L280-M462 HydrophobicContact CD2-CG 4.16Å
281L92.6Very high90.6Very high67 Ų6775.9 Ų75.935%0.35135%0.354SS..Hα-helixtrans-67.7-41.7174.1-68.8174.5000112.1K277 N278 K283 E284 N286 F294K277-L281 HydrophobicContact CG-CD1 4.02Å; K277-L281 HydrophobicContact CG-CG 4.42Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 3.28Å; N278-L281 PolarHBondContact O-N 3.48Å; L281-K283 PolarHBondContact O-N 3.14Å; L281-E284 WeakPolarHBondContact O-CA 3.39Å; L281-E284 PolarHBondContact O-N 2.98Å; L281-N286 HydrophobicContact CD2-CB 3.84Å; L281-F294 HydrophobicContact CD2-CE2 4.18Å; L281-F294 HydrophobicContact CD2-CZ 3.88Å; L281-F294 HydrophobicContact CG-CZ 4Å
282E89.8Confident90.6Very high130 Ų13075.8 Ų75.861%0.60737%0.366SS*.Hα-helixtrans-57.3-32.9174.2-77.2173.4-179.100112.3N278 R279 E284N278-E282 WeakPolarHBondContact O-CG 3.4Å; N278-E282 PolarHBondContact O-N 3.04Å; R279-E282 IonicContact NH1-OE2 2.72Å; R279-E282 PolarHBondContact NH1-OE2 2.93Å; R279-E282 PolarHBondContact O-N 3.41Å; E282-E284 VanDerWaalsContact C-N 3.31Å
283K85.5Confident90.5Very high117 Ų11778.5 Ų78.551%0.50938%0.378SS..THydrogen-bonded Turntrans-90.410.4176.7-62.4-75.7-174.9175.80113.2R279 L280 L281 R285 D329R279-K283 WeakPolarHBondContact O-CG 3.36Å; R279-K283 PolarHBondContact O-N 3.42Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 PolarHBondContact O-N 2.88Å; L281-K283 PolarHBondContact O-N 3.14Å; K283-R285 HydrophobicContact CB-CG 3.96Å; K283-R285 PolarHBondContact O-N 2.92Å; K283-D329 WeakPolarHBondContact CE-OD2 3.15Å; K283-D329 IonicContact NZ-OD2 2.71Å; K283-D329 PolarHBondContact NZ-OD2 3.48Å
284E88.1Confident90.4Very high105 Ų10577.7 Ų77.749%0.49137%0.373SS..THydrogen-bonded Turntrans56.625.7178.8-48.7-160.4133.300115.4L280 L281 E282 N286 K287L280-E284 PolarHBondContact O-N 3.39Å; L281-E284 WeakPolarHBondContact O-CA 3.39Å; L281-E284 PolarHBondContact O-N 2.98Å; E282-E284 VanDerWaalsContact C-N 3.31Å; E284-N286 PolarHBondContact O-N 3.48Å; E284-K287 HydrophobicContact CB-CD 4.12Å; E284-K287 HydrophobicContact CB-CG 4.45Å; E284-K287 WeakPolarHBondContact O-CB 3.31Å; E284-K287 PolarHBondContact O-N 3.46Å; E284-K287 IonicContact OE1-NZ 2.67Å; E284-K287 PolarHBondContact OE1-NZ 3.31Å; E284-K287 IonicContact OE2-NZ 2.78Å; E284-K287 PolarHBondContact OE2-NZ 2.65Å
285R84.7Confident90.3Very high43 Ų4377.9 Ų77.916%0.16237%0.374CS..G310 helixtrans-68.3-22.6-174.7-59.3-54-172.4157.50.4113.9L280 K283 K287 E288 L289 M462L280-R285 HydrophobicContact CB-CB 4.43Å; L280-R285 HydrophobicContact CD2-CB 4.4Å; L280-R285 HydrophobicContact CD2-CG 4.17Å; L280-R285 WeakPolarHBondContact O-CB 3.25Å; L280-R285 PolarHBondContact O-N 3.19Å; K283-R285 HydrophobicContact CB-CG 3.96Å; K283-R285 PolarHBondContact O-N 2.92Å; R285-K287 PolarHBondContact O-N 3.49Å; R285-E288 IonicContact CZ-OE2 3.48Å; R285-E288 IonicContact NH1-OE2 2.88Å; R285-E288 PolarHBondContact NH1-OE2 3.18Å; R285-E288 PolarHBondContact O-N 2.84Å; R285-E288 VanDerWaalsContact O-N 3.16Å; R285-L289 HydrophobicContact CB-CD1 4.08Å; R285-L289 WeakPolarHBondContact O-CB 3.45Å; R285-L289 WeakPolarHBondContact O-CG 3.28Å; R285-L289 PolarHBondContact O-N 3.27Å; R285-M462 WeakPolarHBondContact CD-OXT 3.5Å; R285-M462 WeakPolarHBondContact CG-OXT 3.31Å; R285-M462 PolarHBondContact NE-OXT 2.89Å; R285-M462 PolarHBondContact NH1-O 3.22Å
286N85.8Confident90.3Very high80 Ų8080.8 Ų80.843%0.42839%0.385SS..G310 helixtrans-63.4-14.8171.366.4-52.7000113.8L281 E284 F294L281-N286 HydrophobicContact CD2-CB 3.84Å; E284-N286 PolarHBondContact O-N 3.48Å; N286-F294 HydrophobicContact CB-CD2 3.98Å; N286-F294 HydrophobicContact CB-CE2 3.88Å
287K85.8Confident90.2Very high140 Ų14080.8 Ų80.861%0.60939%0.385SS*.G310 helixtrans-86.1-25.1175.2-58.3-176.6-170169.50113E284 R285E284-K287 HydrophobicContact CB-CD 4.12Å; E284-K287 HydrophobicContact CB-CG 4.45Å; E284-K287 WeakPolarHBondContact O-CB 3.31Å; E284-K287 PolarHBondContact O-N 3.46Å; E284-K287 IonicContact OE1-NZ 2.67Å; E284-K287 PolarHBondContact OE1-NZ 3.31Å; E284-K287 IonicContact OE2-NZ 2.78Å; E284-K287 PolarHBondContact OE2-NZ 2.65Å; R285-K287 PolarHBondContact O-N 3.49Å
288E84.1Confident90.2Very high131 Ų13178.4 Ų78.461%0.61238%0.375SS*.THydrogen-bonded Turntrans-101-27.5-175-61.9-177.3159.700112.7R285R285-E288 IonicContact CZ-OE2 3.48Å; R285-E288 IonicContact NH1-OE2 2.88Å; R285-E288 PolarHBondContact NH1-OE2 3.18Å; R285-E288 PolarHBondContact O-N 2.84Å; R285-E288 VanDerWaalsContact O-N 3.16Å
289L88.2Confident90.3Very high16 Ų1678.8 Ų78.88%0.08437%0.374CS..SBendtrans-101.2144.5-175.7-58.6178.3000111R285 E293 F294 A297 K461R285-L289 HydrophobicContact CB-CD1 4.08Å; R285-L289 WeakPolarHBondContact O-CB 3.45Å; R285-L289 WeakPolarHBondContact O-CG 3.28Å; R285-L289 PolarHBondContact O-N 3.27Å; L289-E293 HydrophobicContact CB-CB 3.9Å; L289-E293 HydrophobicContact CD2-CB 4.12Å; L289-E293 HydrophobicContact CG-CB 4.44Å; L289-F294 HydrophobicContact CB-CB 4.28Å; L289-A297 HydrophobicContact CD1-CB 4.19Å; L289-K461 HydrophobicContact CD2-CB 3.64Å; L289-K461 HydrophobicContact CD2-CD 4.24Å
290T92.6Very high90.6Very high82 Ų8273.9 Ų73.950%0.50336%0.356SS..  trans-65160.616358.90000110.7A292 E293 F294T290-A292 PolarHBondContact O-N 3.22Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.46Å; T290-E293 PolarHBondContact N-OE2 2.68Å; T290-E293 PolarHBondContact O-N 2.96Å; T290-E293 WeakPolarHBondContact OG1-CB 3.28Å; T290-E293 VanDerWaalsContact OG1-CG 3.28Å; T290-E293 WeakPolarHBondContact OG1-CG 3.43Å; T290-E293 PolarHBondContact OG1-N 2.82Å; T290-E293 PolarHBondContact OG1-OE2 3.04Å; T290-F294 WeakPolarHBondContact O-CB 3.46Å; T290-F294 PolarHBondContact O-N 3.45Å
291E92.5Very high90.8Very high155 Ų15573.6 Ų73.672%0.72435%0.354SS*.Hα-helixtrans-53.3-43.2178.5-170.863.3-158.300112.3F294 E295E291-F294 PolarHBondContact O-N 3.49Å; E291-E295 PolarHBondContact O-N 3.14Å
292A92.8Very high91Very high72 Ų7270.4 Ų70.460%0.59534%0.338SS*.Hα-helixtrans-68.2-38.3178.100000113T290 F294 R296T290-A292 PolarHBondContact O-N 3.22Å; A292-F294 VanDerWaalsContact C-N 3.34Å; A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 PolarHBondContact O-N 3.33Å; A292-R296 VanDerWaalsContact O-N 3.1Å
293E91.7Very high91.3Very high60 Ų6065.4 Ų65.428%0.2831%0.313SS..Hα-helixtrans-66.3-38.4173.5-76.3168.5137.600111L289 T290 R296 A297 K461L289-E293 HydrophobicContact CB-CB 3.9Å; L289-E293 HydrophobicContact CD2-CB 4.12Å; L289-E293 HydrophobicContact CG-CB 4.44Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.46Å; T290-E293 PolarHBondContact N-OE2 2.68Å; T290-E293 PolarHBondContact O-N 2.96Å; T290-E293 WeakPolarHBondContact OG1-CB 3.28Å; T290-E293 VanDerWaalsContact OG1-CG 3.28Å; T290-E293 WeakPolarHBondContact OG1-CG 3.43Å; T290-E293 PolarHBondContact OG1-N 2.82Å; T290-E293 PolarHBondContact OG1-OE2 3.04Å; E293-R296 PolarHBondContact O-N 3.09Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 3.29Å; E293-K461 IonicContact OE1-NZ 3.55Å; E293-K461 PolarHBondContact OE1-NZ 3.36Å
294F93.6Very high91.8Very high10 Ų1059.9 Ų59.94%0.04429%0.29CS..Hα-helixtrans-65.9-46.4178.1-174.1-87.8000111.6K277 L280 L281 N286 L289 T290 E291 A292 R296 A297 Q298K277-F294 HydrophobicContact CG-CE1 4.08Å; K277-F294 HydrophobicContact CG-CZ 4.23Å; L280-F294 HydrophobicContact CB-CE2 3.65Å; L280-F294 HydrophobicContact CB-CZ 3.83Å; L280-F294 HydrophobicContact CD1-CE2 4.47Å; L280-F294 HydrophobicContact CD1-CZ 4.48Å; L281-F294 HydrophobicContact CD2-CE2 4.18Å; L281-F294 HydrophobicContact CD2-CZ 3.88Å; L281-F294 HydrophobicContact CG-CZ 4Å; N286-F294 HydrophobicContact CB-CD2 3.98Å; N286-F294 HydrophobicContact CB-CE2 3.88Å; L289-F294 HydrophobicContact CB-CB 4.28Å; T290-F294 WeakPolarHBondContact O-CB 3.46Å; T290-F294 PolarHBondContact O-N 3.45Å; E291-F294 PolarHBondContact O-N 3.49Å; A292-F294 VanDerWaalsContact C-N 3.34Å; F294-R296 VanDerWaalsContact C-N 3.3Å; F294-R296 PolarHBondContact O-N 3.28Å; F294-A297 PolarHBondContact O-N 2.99Å; F294-Q298 WeakPolarHBondContact O-CB 3.48Å; F294-Q298 PolarHBondContact O-N 2.96Å
295E93.6Very high92.2Very high89 Ų8954.9 Ų54.942%0.41627%0.267SS..Hα-helixtrans-61.3-40.5176.1-168.4-170.2165.900111.4E291 Q298 K299E291-E295 PolarHBondContact O-N 3.14Å; E295-Q298 WeakPolarHBondContact O-CB 3.39Å; E295-Q298 PolarHBondContact O-N 3.18Å; E295-K299 WeakPolarHBondContact O-CG 3.34Å; E295-K299 PolarHBondContact O-N 2.98Å; E295-K299 WeakPolarHBondContact OE1-CE 3.44Å; E295-K299 IonicContact OE1-NZ 3.44Å; E295-K299 PolarHBondContact OE1-NZ 3.29Å
296R93.1Very high92.7Very high137 Ų13753 Ų5352%0.51726%0.26SS..Hα-helixtrans-65.1-43.5176-166.7178.9-173.9173.62.3111.9A292 E293 F294 Q298 K299 A300 E457 V459A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 PolarHBondContact O-N 3.33Å; A292-R296 VanDerWaalsContact O-N 3.1Å; E293-R296 PolarHBondContact O-N 3.09Å; F294-R296 VanDerWaalsContact C-N 3.3Å; F294-R296 PolarHBondContact O-N 3.28Å; R296-Q298 VanDerWaalsContact C-N 3.33Å; R296-Q298 PolarHBondContact O-N 3.45Å; R296-K299 PolarHBondContact O-N 3Å; R296-A300 VanDerWaalsContact O-CB 3.25Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.38Å; R296-E457 IonicContact CZ-OE1 2.85Å; R296-E457 IonicContact NE-OE1 2.89Å; R296-E457 PolarHBondContact NE-OE1 3.41Å; R296-E457 IonicContact NH2-OE1 2.83Å; R296-E457 PolarHBondContact NH2-OE1 3.19Å; R296-V459 HydrophobicContact CG-CG1 3.97Å
297A93Very high93.2Very high0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-61.7-42.1174.900000111.4L280 L289 E293 F294 A300 V301L280-A297 HydrophobicContact CD1-CB 4Å; L289-A297 HydrophobicContact CD1-CB 4.19Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 3.29Å; F294-A297 PolarHBondContact O-N 2.99Å; A297-A300 PolarHBondContact O-N 3.17Å; A297-V301 WeakPolarHBondContact O-CB 3.49Å; A297-V301 VanDerWaalsContact O-CG2 3.28Å; A297-V301 WeakPolarHBondContact O-CG2 3.47Å; A297-V301 PolarHBondContact O-N 3.36Å
298Q95Very high93.8Very high28 Ų2843.4 Ų43.413%0.13121%0.214CC..Hα-helixtrans-58.9-50.2176.3-175.9-167.4100111.4L273 A276 K277 L280 F294 E295 R296 V301 A302L273-Q298 HydrophobicContact CD2-CG 4.04Å; L273-Q298 PolarHBondContact O-NE2 3.06Å; A276-Q298 HydrophobicContact CB-CG 4.35Å; K277-Q298 HydrophobicContact CB-CG 4.06Å; L280-Q298 HydrophobicContact CD1-CB 4.03Å; F294-Q298 WeakPolarHBondContact O-CB 3.48Å; F294-Q298 PolarHBondContact O-N 2.96Å; E295-Q298 WeakPolarHBondContact O-CB 3.39Å; E295-Q298 PolarHBondContact O-N 3.18Å; R296-Q298 VanDerWaalsContact C-N 3.33Å; R296-Q298 PolarHBondContact O-N 3.45Å; Q298-V301 PolarHBondContact O-N 2.87Å; Q298-A302 VanDerWaalsContact O-CB 3.27Å; Q298-A302 WeakPolarHBondContact O-CB 3.42Å; Q298-A302 PolarHBondContact O-N 3.05Å
299K95.3Very high94.3Very high77 Ų7737.7 Ų37.734%0.33519%0.189SC..Hα-helixtrans-63.7-45.3178.5-72.2175.1-175.9171.70111.9L273 E295 R296 V301 A302 Y303L273-K299 HydrophobicContact CD2-CG 3.92Å; E295-K299 WeakPolarHBondContact O-CG 3.34Å; E295-K299 PolarHBondContact O-N 2.98Å; E295-K299 WeakPolarHBondContact OE1-CE 3.44Å; E295-K299 IonicContact OE1-NZ 3.44Å; E295-K299 PolarHBondContact OE1-NZ 3.29Å; R296-K299 PolarHBondContact O-N 3Å; K299-V301 PolarHBondContact O-N 3.17Å; K299-A302 PolarHBondContact O-N 2.86Å; K299-Y303 HydrophobicContact CB-CD2 4.12Å; K299-Y303 HydrophobicContact CB-CE2 3.93Å; K299-Y303 HydrophobicContact CG-CE2 3.98Å; K299-Y303 WeakPolarHBondContact O-CB 3.24Å; K299-Y303 VanDerWaalsContact O-CD2 3.31Å; K299-Y303 WeakPolarHBondContact O-CD2 3.34Å; K299-Y303 PolarHBondContact O-N 2.9Å
300A95Very high94.6Very high2 Ų237.2 Ų37.22%0.01719%0.187CC..Hα-helixtrans-58.7-46.4177.800000111.8R296 A297 G304 E457 V459R296-A300 VanDerWaalsContact O-CB 3.25Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.38Å; A297-A300 PolarHBondContact O-N 3.17Å; A300-G304 WeakPolarHBondContact O-CA 3.4Å; A300-G304 PolarHBondContact O-N 3.3Å; A300-E457 HydrophobicContact CB-CB 4.47Å; A300-E457 WeakPolarHBondContact CB-O 3.29Å; A300-V459 HydrophobicContact CB-CG1 3.93Å
301V94.8Very high94.9Very high4 Ų433.5 Ų33.52%0.02416%0.164CC..Hα-helixtrans-66.4-51.8177.2171.50000110.8A276 A297 Q298 K299 C305 L327 V335 L338 M462A276-V301 HydrophobicContact CB-CB 4.15Å; A276-V301 HydrophobicContact CB-CG1 3.82Å; A297-V301 WeakPolarHBondContact O-CB 3.49Å; A297-V301 VanDerWaalsContact O-CG2 3.28Å; A297-V301 WeakPolarHBondContact O-CG2 3.47Å; A297-V301 PolarHBondContact O-N 3.36Å; Q298-V301 PolarHBondContact O-N 2.87Å; K299-V301 PolarHBondContact O-N 3.17Å; V301-C305 VanDerWaalsContact O-CB 3.27Å; V301-C305 WeakPolarHBondContact O-CB 3.49Å; V301-C305 PolarHBondContact O-N 2.94Å; V301-C305 PolarHBondContact O-SG 3.36Å; V301-L327 HydrophobicContact CG1-CD2 4.05Å; V301-V335 HydrophobicContact CG1-CG2 4.18Å; V301-L338 HydrophobicContact CG2-CD1 4.43Å; V301-M462 HydrophobicContact CG2-CE 3.61Å; V301-M462 HydrophobicContact CG2-SD 3.78Å
302A95.5Very high95.1Very high1 Ų127 Ų271%0.00814%0.135CC..Hα-helixtrans-58.7-57.3-17600000112G272 L273 A276 Q298 K299 C305 I306G272-A302 WeakPolarHBondContact O-CB 3.4Å; L273-A302 HydrophobicContact CD2-CB 3.84Å; L273-A302 HydrophobicContact CG-CB 4.25Å; A276-A302 HydrophobicContact CB-CB 3.79Å; Q298-A302 VanDerWaalsContact O-CB 3.27Å; Q298-A302 WeakPolarHBondContact O-CB 3.42Å; Q298-A302 PolarHBondContact O-N 3.05Å; K299-A302 PolarHBondContact O-N 2.86Å; A302-C305 PolarHBondContact O-N 2.82Å; A302-I306 WeakPolarHBondContact O-CG1 3.37Å; A302-I306 PolarHBondContact O-N 3.23Å
303Y96.2Very high95.1Very high24 Ų2427.8 Ų27.89%0.09413%0.127CC..Hα-helixtrans-74.7-33.2-176-52.3-34.1000111.7R127 L269 L273 K299 I306 K307R127-Y303 HydrophobicContact CB-CE1 4.44Å; R127-Y303 HydrophobicContact CB-CE2 4.32Å; R127-Y303 PolarHBondContact NE-OH 2.87Å; R127-Y303 WeakPolarHBondContact O-CD2 3.27Å; R127-Y303 WeakPolarHBondContact O-CE2 3.31Å; L269-Y303 HydrophobicContact CB-CE1 4.38Å; L269-Y303 HydrophobicContact CD2-CD1 4.2Å; L269-Y303 HydrophobicContact CD2-CE1 4.3Å; L273-Y303 HydrophobicContact CD1-CE1 4.47Å; L273-Y303 WeakPolarHBondContact CD1-OH 3.44Å; L273-Y303 HydrophobicContact CD2-CE1 4.2Å; L273-Y303 HydrophobicContact CG-CE1 4.06Å; K299-Y303 HydrophobicContact CB-CD2 4.12Å; K299-Y303 HydrophobicContact CB-CE2 3.93Å; K299-Y303 HydrophobicContact CG-CE2 3.98Å; K299-Y303 WeakPolarHBondContact O-CB 3.24Å; K299-Y303 VanDerWaalsContact O-CD2 3.31Å; K299-Y303 WeakPolarHBondContact O-CD2 3.34Å; K299-Y303 PolarHBondContact O-N 2.9Å; Y303-I306 PolarHBondContact O-N 3.19Å; Y303-K307 WeakPolarHBondContact O-CB 3.46Å; Y303-K307 WeakPolarHBondContact O-CD 3.43Å; Y303-K307 VanDerWaalsContact O-CG 3.25Å; Y303-K307 WeakPolarHBondContact O-CG 3.36Å; Y303-K307 PolarHBondContact O-N 2.98Å
304G96.3Very high95.4Very high1 Ų126.2 Ų26.21%0.0112%0.122CC..Hα-helixtrans-60-45.617300000111.9A300 K307 Y308A300-G304 WeakPolarHBondContact O-CA 3.4Å; A300-G304 PolarHBondContact O-N 3.3Å; G304-K307 PolarHBondContact O-N 3.5Å; G304-Y308 WeakPolarHBondContact O-CB 3.12Å; G304-Y308 PolarHBondContact O-N 3.33Å
305C95.9Very high95.5Very high1 Ų127.4 Ų27.41%0.00713%0.126CC..Hα-helixtrans-66.7-41.9178.9-66.90000112.5V301 A302 K307 Y308 A309 M326 L327 A334 V335V301-C305 VanDerWaalsContact O-CB 3.27Å; V301-C305 WeakPolarHBondContact O-CB 3.49Å; V301-C305 PolarHBondContact O-N 2.94Å; V301-C305 PolarHBondContact O-SG 3.36Å; A302-C305 PolarHBondContact O-N 2.82Å; C305-K307 PolarHBondContact O-N 3.16Å; C305-Y308 PolarHBondContact O-N 3.12Å; C305-A309 WeakPolarHBondContact O-CB 3.41Å; C305-A309 PolarHBondContact O-N 2.97Å; C305-M326 HydrophobicContact CB-CB 4.34Å; C305-M326 HydrophobicContact CB-CG 4.2Å; C305-M326 HydrophobicContact CB-SD 4.44Å; C305-M326 PolarHBondContact SG-O 3.29Å; C305-M326 VanDerWaalsContact SG-O 3.42Å; C305-L327 HydrophobicContact CB-CD2 3.91Å; C305-A334 HydrophobicContact CB-CB 4.49Å; C305-V335 WeakPolarHBondContact SG-CG2 3.27Å
306I95.3Very high95.6Very high3 Ų325.9 Ų25.92%0.01512%0.123CC..Hα-helixtrans-62.2-45.2177.4-68.4167.1000110.8L15 I19 L268 L269 A302 Y303 M326L15-I306 HydrophobicContact CD2-CG2 4.03Å; I19-I306 HydrophobicContact CD1-CG2 4.18Å; L268-I306 HydrophobicContact CD2-CD1 3.87Å; L268-I306 HydrophobicContact CD2-CG1 4.4Å; L268-I306 HydrophobicContact CD2-CG2 4.42Å; L269-I306 HydrophobicContact CD2-CD1 3.84Å; A302-I306 WeakPolarHBondContact O-CG1 3.37Å; A302-I306 PolarHBondContact O-N 3.23Å; Y303-I306 PolarHBondContact O-N 3.19Å; I306-M326 HydrophobicContact CG1-SD 4.01Å
307K97.1Very high95.6Very high17 Ų1723.6 Ų23.67%0.07412%0.12CC..Hα-helixtrans-65-50.8176.7-70.4168.7179171.60111.8I19 L128 Y303 G304 C305 A309 D310 L311 G455I19-K307 HydrophobicContact CD1-CG 4.25Å; I19-K307 HydrophobicContact CG1-CG 4.12Å; I19-K307 HydrophobicContact CG2-CB 4.1Å; I19-K307 HydrophobicContact CG2-CG 4.08Å; L128-K307 WeakPolarHBondContact O-CE 3.48Å; L128-K307 PolarHBondContact O-NZ 3.37Å; Y303-K307 WeakPolarHBondContact O-CB 3.46Å; Y303-K307 WeakPolarHBondContact O-CD 3.43Å; Y303-K307 VanDerWaalsContact O-CG 3.25Å; Y303-K307 WeakPolarHBondContact O-CG 3.36Å; Y303-K307 PolarHBondContact O-N 2.98Å; G304-K307 PolarHBondContact O-N 3.5Å; C305-K307 PolarHBondContact O-N 3.16Å; K307-A309 PolarHBondContact O-N 3.06Å; K307-D310 PolarHBondContact O-N 2.79Å; K307-L311 WeakPolarHBondContact O-CB 3.41Å; K307-L311 VanDerWaalsContact O-CG 3.28Å; K307-L311 WeakPolarHBondContact O-CG 3.3Å; K307-L311 PolarHBondContact O-N 2.96Å; K307-G455 VanDerWaalsContact CD-O 3.25Å; K307-G455 WeakPolarHBondContact CD-O 3.32Å; K307-G455 PolarHBondContact NZ-O 3.27Å
308Y97.6Very high95.7Very high2 Ų227.7 Ų27.71%0.00814%0.142CC..Hα-helixtrans-66.2-40-174.6-167-93.8000112.4G304 C305 D310 L311 S312 N332 A334 L337 C401 L454 I456G304-Y308 WeakPolarHBondContact O-CB 3.12Å; G304-Y308 PolarHBondContact O-N 3.33Å; C305-Y308 PolarHBondContact O-N 3.12Å; Y308-D310 PolarHBondContact O-N 3.49Å; Y308-L311 PolarHBondContact O-N 3.38Å; Y308-S312 WeakPolarHBondContact O-CB 3.36Å; Y308-S312 PolarHBondContact O-N 3.47Å; Y308-S312 PolarHBondContact O-OG 2.98Å; Y308-N332 WeakPolarHBondContact CE1-O 3.48Å; Y308-N332 VanDerWaalsContact CE1-OD1 3.28Å; Y308-N332 WeakPolarHBondContact CE1-OD1 3.43Å; Y308-N332 VanDerWaalsContact CZ-OD1 3.29Å; Y308-N332 PolarHBondContact OH-OD1 3.34Å; Y308-A334 HydrophobicContact CD1-CB 4.44Å; Y308-A334 HydrophobicContact CG-CB 4.01Å; Y308-L337 HydrophobicContact CD2-CD1 4.29Å; Y308-L337 HydrophobicContact CE1-CD1 4.24Å; Y308-L337 HydrophobicContact CE2-CD1 3.42Å; Y308-L337 VanDerWaalsContact CE2-CD1 3.42Å; Y308-L337 VanDerWaalsContact OH-CD1 3.27Å; Y308-L337 WeakPolarHBondContact OH-CD1 3.28Å; Y308-C401 HydrophobicContact CE2-CB 3.72Å; Y308-C401 VanDerWaalsContact CE2-SG 3.54Å; Y308-C401 WeakPolarHBondContact OH-CA 3.36Å; Y308-C401 WeakPolarHBondContact OH-CB 3.35Å; Y308-C401 PolarHBondContact OH-O 3.37Å; Y308-C401 VanDerWaalsContact OH-O 3.06Å; Y308-L454 HydrophobicContact CD2-CD1 4.13Å; Y308-L454 HydrophobicContact CE2-CD1 4.08Å; Y308-I456 HydrophobicContact CD2-CD1 3.63Å; Y308-I456 HydrophobicContact CG-CD1 4.23Å
309A94.9Very high95.6Very high11 Ų1126.9 Ų26.99%0.09114%0.138CC..Hα-helixtrans-63.8-30.1-179.900000112.8C305 K307 H313 Y319 M326C305-A309 WeakPolarHBondContact O-CB 3.41Å; C305-A309 PolarHBondContact O-N 2.97Å; K307-A309 PolarHBondContact O-N 3.06Å; A309-H313 PolarHBondContact O-CE1 3.4Å; A309-H313 PolarHBondContact O-ND1 3.4Å; A309-Y319 HydrophobicContact CB-CE2 4.4Å; A309-Y319 WeakPolarHBondContact CB-OH 3.28Å; A309-Y319 WeakPolarHBondContact O-CE2 3.44Å; A309-M326 HydrophobicContact CB-CB 3.6Å; A309-M326 HydrophobicContact CB-CE 4.35Å
310D95.4Very high95.5Very high5 Ų525.5 Ų25.53%0.02714%0.136CC..Hα-helixtrans-74.2-53.8169.9-171.6-4.3000110.5R16 K307 Y308 S312 H313 Y319R16-D310 WeakPolarHBondContact CA-OD2 3.37Å; R16-D310 VanDerWaalsContact CG-OD2 3.3Å; R16-D310 WeakPolarHBondContact CG-OD2 3.28Å; R16-D310 IonicContact CZ-OD1 3.24Å; R16-D310 IonicContact NE-OD1 2.74Å; R16-D310 PolarHBondContact NE-OD1 2.89Å; R16-D310 IonicContact NE-OD2 3.25Å; R16-D310 PolarHBondContact NE-OD2 2.89Å; R16-D310 IonicContact NH2-OD1 3.28Å; R16-D310 PolarHBondContact NH2-OD1 2.77Å; K307-D310 PolarHBondContact O-N 2.79Å; Y308-D310 PolarHBondContact O-N 3.49Å; D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.33Å; D310-H313 PolarHBondContact O-N 2.93Å; D310-Y319 HydrophobicContact CB-CE1 4.47Å
311L97.7Very high95.3Very high5 Ų525.8 Ų25.83%0.02614%0.137CC..Hα-helixtrans-67.4-25.7-172.3-66.2179.1000114.5I19 I20 K307 Y308 H313 L397 H398 L454I19-L311 HydrophobicContact CG2-CD1 3.9Å; I19-L311 HydrophobicContact CG2-CD2 3.99Å; I19-L311 HydrophobicContact CG2-CG 3.76Å; I20-L311 HydrophobicContact CG1-CD2 4.02Å; K307-L311 WeakPolarHBondContact O-CB 3.41Å; K307-L311 VanDerWaalsContact O-CG 3.28Å; K307-L311 WeakPolarHBondContact O-CG 3.3Å; K307-L311 PolarHBondContact O-N 2.96Å; Y308-L311 PolarHBondContact O-N 3.38Å; L311-H313 PolarHBondContact O-N 3.31Å; L311-L397 HydrophobicContact CD2-CB 4.21Å; L311-L397 HydrophobicContact CD2-CD1 3.59Å; L311-H398 WeakPolarHBondContact O-CA 3.31Å; L311-H398 WeakPolarHBondContact O-CB 3.18Å; L311-H398 PolarHBondContact O-N 2.88Å; L311-H398 VanDerWaalsContact O-N 3.16Å; L311-L454 HydrophobicContact CB-CD2 4.32Å; L311-L454 HydrophobicContact CD1-CB 4.19Å; L311-L454 HydrophobicContact CD1-CD2 3.73Å
312S96.8Very high95.2Very high17 Ų1725.9 Ų25.912%0.11914%0.137CC..THydrogen-bonded Turntrans-75.6-7.3179.267.40000113.9Y308 D310Y308-S312 WeakPolarHBondContact O-CB 3.36Å; Y308-S312 PolarHBondContact O-N 3.47Å; Y308-S312 PolarHBondContact O-OG 2.98Å; D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.33Å
313H94.6Very high94.9Very high90 Ų9027 Ų2742%0.41714%0.142SC..SBendtrans-107.3153.9172.7-59.987.3000109.9A309 D310 L311 R315A309-H313 PolarHBondContact O-CE1 3.4Å; A309-H313 PolarHBondContact O-ND1 3.4Å; D310-H313 PolarHBondContact O-N 2.93Å; L311-H313 PolarHBondContact O-N 3.31Å; H313-R315 PolarHBondContact O-N 2.85Å
314S96.2Very high94.5Very high26 Ų2630.4 Ų30.418%0.18216%0.162CC..  trans-58128.4172.7-178.10000110T316 I317S314-T316 PolarHBondContact O-N 3.02Å; S314-T316 VanDerWaalsContact O-N 3.11Å; S314-T316 PolarHBondContact OG-OG1 3.33Å; S314-T316 VanDerWaalsContact OG-OG1 3.06Å; S314-I317 WeakPolarHBondContact O-CG1 3.33Å; S314-I317 PolarHBondContact O-N 2.85Å
315R96.8Very high94.3Very high35 Ų3538.8 Ų38.813%0.13219%0.193CC..THydrogen-bonded Turntrans-57.1-31.7179.962176.817281.40.9112.3I20 G243 F244 G245 H313 I317 D394 F395 L396I20-R315 HydrophobicContact CD1-CB 4.05Å; G243-R315 PolarHBondContact O-NH1 2.9Å; F244-R315 CarbonylContact C-O 3.58Å; F244-R315 WeakPolarHBondContact CA-O 3.44Å; F244-R315 HydrophobicContact CB-CB 4.2Å; F244-R315 WeakPolarHBondContact CB-O 3.44Å; G245-R315 PolarHBondContact N-O 3.44Å; H313-R315 PolarHBondContact O-N 2.85Å; R315-I317 PolarHBondContact O-N 3.47Å; R315-D394 PolarHBondContact NH2-O 3.07Å; R315-F395 PolarHBondContact NE-O 3.47Å; R315-L396 HydrophobicContact CG-CD2 4.19Å
316T95.3Very high94.1Very high57 Ų5739.2 Ų39.235%0.3520%0.195SC..THydrogen-bonded Turntrans-74.8-8.8-174.761.70000114.4M213 S314M213-T316 HydrophobicContact CE-CG2 3.83Å; M213-T316 VanDerWaalsContact SD-O 3.39Å; S314-T316 PolarHBondContact O-N 3.02Å; S314-T316 VanDerWaalsContact O-N 3.11Å; S314-T316 PolarHBondContact OG-OG1 3.33Å; S314-T316 VanDerWaalsContact OG-OG1 3.06Å
317I93.7Very high93.8Very high89 Ų8939.5 Ų39.546%0.45620%0.197SC..SBendtrans-101158.6174.761.7164000110.7R16 S314 R315R16-I317 PolarHBondContact NH1-O 3.16Å; S314-I317 WeakPolarHBondContact O-CG1 3.33Å; S314-I317 PolarHBondContact O-N 2.85Å; R315-I317 PolarHBondContact O-N 3.47Å
318D94.1Very high93.4Very high86 Ų8641.8 Ų41.846%0.4621%0.21SC..  trans-63.4137.6170.8-67.7-13.4000110.1V246 L248V246-D318 HydrophobicContact CG2-CB 4.28Å; V246-D318 VanDerWaalsContact CG2-CG 3.48Å; V246-D318 VanDerWaalsContact CG2-OD1 3.31Å; V246-D318 WeakPolarHBondContact CG2-OD1 3.08Å; V246-D318 PolarHBondContact N-OD1 3.16Å; V246-D318 WeakPolarHBondContact O-CA 3.04Å; L248-D318 HydrophobicContact CD1-CB 3.71Å; L248-D318 HydrophobicContact CG-CB 4.11Å
319Y92.3Very high92.8Very high12 Ų1244.9 Ų44.95%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-105.4121.5-175.7165.5-124.7000110V246 V247 L248 A309 D310 F321V246-Y319 PolarHBondContact O-N 3.44Å; V247-Y319 CarbonylContact C-O 3.54Å; V247-Y319 WeakPolarHBondContact CA-O 3.14Å; V247-Y319 HydrophobicContact CG1-CD1 4.13Å; V247-Y319 HydrophobicContact CG1-CE1 4.5Å; V247-Y319 HydrophobicContact CG2-CD1 4.25Å; L248-Y319 PolarHBondContact N-O 3.36Å; A309-Y319 HydrophobicContact CB-CE2 4.4Å; A309-Y319 WeakPolarHBondContact CB-OH 3.28Å; A309-Y319 WeakPolarHBondContact O-CE2 3.44Å; D310-Y319 HydrophobicContact CB-CE1 4.47Å; Y319-F321 HydrophobicContact CE1-CB 4.14Å; Y319-F321 AromaticContact CE1-CD2 3.88Å; Y319-F321 HydrophobicContact CE1-CD2 3.88Å
320V93.4Very high92.4Very high47 Ų4751.9 Ų51.929%0.28526%0.255SS..EExtended strand (participates in β ladder)trans-88110.2174.9177.60000109.3L248L248-V320 HydrophobicContact CB-CG2 4.19Å; L248-V320 HydrophobicContact CD1-CG2 4.4Å
321F92.3Very high92.1Very high8 Ų853 Ų534%0.03527%0.268CS..  trans-76.9123.1176.5-172.5-83000110.6V247 L248 F255 L268 Y319 F323 M326V247-F321 HydrophobicContact CG1-CB 3.9Å; L248-F321 PolarHBondContact O-N 3.18Å; F255-F321 HydrophobicContact CD2-CB 4.35Å; F255-F321 HydrophobicContact CE1-CD1 4.21Å; F255-F321 HydrophobicContact CE1-CG 4.45Å; F255-F321 HydrophobicContact CE2-CB 4.21Å; F255-F321 AromaticContact CE2-CD1 3.84Å; F255-F321 HydrophobicContact CE2-CD1 3.84Å; F255-F321 HydrophobicContact CE2-CG 4.34Å; F255-F321 HydrophobicContact CZ-CB 4.42Å; F255-F321 AromaticContact CZ-CD1 3.52Å; F255-F321 HydrophobicContact CZ-CD1 3.52Å; F255-F321 HydrophobicContact CZ-CE1 4.04Å; F255-F321 HydrophobicContact CZ-CG 4.1Å; L268-F321 HydrophobicContact CD1-CD2 4.43Å; L268-F321 HydrophobicContact CD1-CE1 4.3Å; L268-F321 HydrophobicContact CD1-CE2 3.77Å; L268-F321 HydrophobicContact CD1-CZ 3.7Å; L268-F321 HydrophobicContact CD2-CE2 4Å; L268-F321 HydrophobicContact CD2-CZ 3.88Å; L268-F321 HydrophobicContact CG-CE2 4.18Å; L268-F321 HydrophobicContact CG-CZ 3.77Å; Y319-F321 HydrophobicContact CE1-CB 4.14Å; Y319-F321 AromaticContact CE1-CD2 3.88Å; Y319-F321 HydrophobicContact CE1-CD2 3.88Å; F321-F323 HydrophobicContact CE1-CD1 4.22Å; F321-F323 AromaticContact CE1-CD2 3.7Å; F321-F323 HydrophobicContact CE1-CD2 3.7Å; F321-F323 HydrophobicContact CE1-CE1 4.1Å; F321-F323 AromaticContact CE1-CE2 3.56Å; F321-F323 HydrophobicContact CE1-CE2 3.56Å; F321-F323 HydrophobicContact CE1-CG 4.03Å; F321-F323 AromaticContact CE1-CZ 3.77Å; F321-F323 HydrophobicContact CE1-CZ 3.77Å; F321-F323 HydrophobicContact CZ-CD1 4.14Å; F321-F323 HydrophobicContact CZ-CD2 4.34Å; F321-F323 AromaticContact CZ-CE1 3.75Å; F321-F323 HydrophobicContact CZ-CE1 3.75Å; F321-F323 AromaticContact CZ-CE2 3.97Å; F321-F323 HydrophobicContact CZ-CE2 3.97Å; F321-F323 HydrophobicContact CZ-CG 4.41Å; F321-F323 AromaticContact CZ-CZ 3.66Å; F321-F323 HydrophobicContact CZ-CZ 3.66Å; F321-M326 HydrophobicContact CD1-CE 4.3Å; F321-M326 HydrophobicContact CD2-CE 3.8Å; F321-M326 HydrophobicContact CE1-CE 3.96Å; F321-M326 HydrophobicContact CE2-CE 3.43Å; F321-M326 VanDerWaalsContact CE2-CE 3.43Å; F321-M326 HydrophobicContact CE2-SD 4.48Å; F321-M326 HydrophobicContact CG-CE 4.22Å; F321-M326 HydrophobicContact CZ-CE 3.51Å; F321-M326 HydrophobicContact CZ-SD 4.39Å
322S91.7Very high92Very high6 Ų655.1 Ų55.14%0.04228%0.279CS..  trans-147116176.41730000109.9E250 D324 R325 M326E250-S322 WeakPolarHBondContact OE1-CB 3.47Å; E250-S322 PolarHBondContact OE1-OG 3.19Å; S322-D324 VanDerWaalsContact C-N 3.31Å; S322-D324 PolarHBondContact O-N 3.3Å; S322-R325 WeakPolarHBondContact OG-CG 3.31Å; S322-R325 PolarHBondContact OG-N 2.84Å; S322-M326 VanDerWaalsContact O-CE 3.23Å; S322-M326 WeakPolarHBondContact O-CE 3.4Å; S322-M326 WeakPolarHBondContact O-CG 3.39Å; S322-M326 PolarHBondContact O-N 3.15Å; S322-M326 VanDerWaalsContact O-N 3.13Å
323F89.3Confident91.9Very high26 Ų2654.9 Ų54.911%0.11428%0.277CS..Hα-helixtrans-61.6-41.1176.5-83.6-62.8000111.8L268 E271 R275 F321 R325 M326 L327L268-F323 HydrophobicContact CG-CZ 4.15Å; E271-F323 HydrophobicContact CB-CE2 4.15Å; E271-F323 HydrophobicContact CB-CZ 3.86Å; E271-F323 HydrophobicContact CG-CD2 4.1Å; E271-F323 HydrophobicContact CG-CE1 4.34Å; E271-F323 HydrophobicContact CG-CE2 3.46Å; E271-F323 VanDerWaalsContact CG-CE2 3.46Å; E271-F323 HydrophobicContact CG-CZ 3.6Å; R275-F323 VanDerWaalsContact NH1-CB 3.28Å; F321-F323 HydrophobicContact CE1-CD1 4.22Å; F321-F323 AromaticContact CE1-CD2 3.7Å; F321-F323 HydrophobicContact CE1-CD2 3.7Å; F321-F323 HydrophobicContact CE1-CE1 4.1Å; F321-F323 AromaticContact CE1-CE2 3.56Å; F321-F323 HydrophobicContact CE1-CE2 3.56Å; F321-F323 HydrophobicContact CE1-CG 4.03Å; F321-F323 AromaticContact CE1-CZ 3.77Å; F321-F323 HydrophobicContact CE1-CZ 3.77Å; F321-F323 HydrophobicContact CZ-CD1 4.14Å; F321-F323 HydrophobicContact CZ-CD2 4.34Å; F321-F323 AromaticContact CZ-CE1 3.75Å; F321-F323 HydrophobicContact CZ-CE1 3.75Å; F321-F323 AromaticContact CZ-CE2 3.97Å; F321-F323 HydrophobicContact CZ-CE2 3.97Å; F321-F323 HydrophobicContact CZ-CG 4.41Å; F321-F323 AromaticContact CZ-CZ 3.66Å; F321-F323 HydrophobicContact CZ-CZ 3.66Å; F323-R325 PolarHBondContact O-N 3.11Å; F323-M326 HydrophobicContact CD1-SD 4.14Å; F323-M326 WeakPolarHBondContact O-CG 3.14Å; F323-M326 PolarHBondContact O-N 2.79Å; F323-L327 WeakPolarHBondContact O-CB 3.21Å; F323-L327 WeakPolarHBondContact O-CG 3.21Å; F323-L327 PolarHBondContact O-N 3.22Å; F323-L327 VanDerWaalsContact O-N 3.07Å
324D88.6Confident91.9Very high95 Ų9550.7 Ų50.751%0.50826%0.258SS..Hα-helixtrans-66.6-40.4-175.5-63.7-14.9000111R275 S322 D328R275-D324 IonicContact NH1-OD1 3.78Å; R275-D324 PolarHBondContact NH1-OD1 3.41Å; S322-D324 VanDerWaalsContact C-N 3.31Å; S322-D324 PolarHBondContact O-N 3.3Å; D324-D328 PolarHBondContact O-N 3.01Å
325R90.7Very high91.8Very high177 Ų17750.7 Ų50.767%0.66826%0.257SS*.Hα-helixtrans-69.5-42.6176.6-66.9-179.2-174.7-169.6-1.7112.8S322 F323 L327 D328S322-R325 WeakPolarHBondContact OG-CG 3.31Å; S322-R325 PolarHBondContact OG-N 2.84Å; F323-R325 PolarHBondContact O-N 3.11Å; R325-L327 VanDerWaalsContact C-N 3.3Å; R325-L327 PolarHBondContact O-N 3Å; R325-D328 WeakPolarHBondContact O-CB 3.2Å; R325-D328 PolarHBondContact O-N 2.8Å
326M91.8Very high91.6Very high9 Ų951.2 Ų51.24%0.04426%0.259CS..Hα-helixtrans-72.9-25.1-176.871.3179.27200113.3C305 I306 A309 F321 S322 F323C305-M326 HydrophobicContact CB-CB 4.34Å; C305-M326 HydrophobicContact CB-CG 4.2Å; C305-M326 HydrophobicContact CB-SD 4.44Å; C305-M326 PolarHBondContact SG-O 3.29Å; C305-M326 VanDerWaalsContact SG-O 3.42Å; I306-M326 HydrophobicContact CG1-SD 4.01Å; A309-M326 HydrophobicContact CB-CB 3.6Å; A309-M326 HydrophobicContact CB-CE 4.35Å; F321-M326 HydrophobicContact CD1-CE 4.3Å; F321-M326 HydrophobicContact CD2-CE 3.8Å; F321-M326 HydrophobicContact CE1-CE 3.96Å; F321-M326 HydrophobicContact CE2-CE 3.43Å; F321-M326 VanDerWaalsContact CE2-CE 3.43Å; F321-M326 HydrophobicContact CE2-SD 4.48Å; F321-M326 HydrophobicContact CG-CE 4.22Å; F321-M326 HydrophobicContact CZ-CE 3.51Å; F321-M326 HydrophobicContact CZ-SD 4.39Å; S322-M326 VanDerWaalsContact O-CE 3.23Å; S322-M326 WeakPolarHBondContact O-CE 3.4Å; S322-M326 WeakPolarHBondContact O-CG 3.39Å; S322-M326 PolarHBondContact O-N 3.15Å; S322-M326 VanDerWaalsContact O-N 3.13Å; F323-M326 HydrophobicContact CD1-SD 4.14Å; F323-M326 WeakPolarHBondContact O-CG 3.14Å; F323-M326 PolarHBondContact O-N 2.79Å
327L89.1Confident91.7Very high9 Ų948.5 Ų48.55%0.04724%0.243CC..THydrogen-bonded Turntrans-98.715.1177.7-64.7171.4000113R275 R279 V301 C305 F323 R325 V335R275-L327 HydrophobicContact CB-CD1 3.38Å; R275-L327 HydrophobicContact CG-CD1 4.35Å; R279-L327 PolarHBondContact NE-O 3.01Å; V301-L327 HydrophobicContact CG1-CD2 4.05Å; C305-L327 HydrophobicContact CB-CD2 3.91Å; F323-L327 WeakPolarHBondContact O-CB 3.21Å; F323-L327 WeakPolarHBondContact O-CG 3.21Å; F323-L327 PolarHBondContact O-N 3.22Å; F323-L327 VanDerWaalsContact O-N 3.07Å; R325-L327 VanDerWaalsContact C-N 3.3Å; R325-L327 PolarHBondContact O-N 3Å; L327-V335 HydrophobicContact CD2-CG2 4.42Å
328D89.6Confident91.7Very high65 Ų6544.3 Ų44.335%0.34822%0.221SC..  trans-68.9135.7172-159.7-44.3000109.6D324 R325 K330 T333D324-D328 PolarHBondContact O-N 3.01Å; R325-D328 WeakPolarHBondContact O-CB 3.2Å; R325-D328 PolarHBondContact O-N 2.8Å; D328-K330 PolarHBondContact O-N 3.3Å; D328-K330 WeakPolarHBondContact OD1-CB 3.43Å; D328-K330 PolarHBondContact OD1-N 3.33Å; D328-T333 HydrophobicContact CB-CG2 4.27Å; D328-T333 WeakPolarHBondContact O-CB 3.17Å; D328-T333 PolarHBondContact O-OG1 2.88Å
329D85.5Confident91.7Very high67 Ų6745.4 Ų45.436%0.35822%0.219SC..SBendtrans-81.9-1.9177.968.8-10000112.9K283 V335K283-D329 WeakPolarHBondContact CE-OD2 3.15Å; K283-D329 IonicContact NZ-OD2 2.71Å; K283-D329 PolarHBondContact NZ-OD2 3.48Å; D329-V335 HydrophobicContact CB-CG1 4.2Å
330K86.3Confident91.8Very high158 Ų15845.2 Ų45.269%0.68722%0.221SC*.SBendtrans-117.9149.5176.4-62.4176.5-172.8177.10111.7D328D328-K330 PolarHBondContact O-N 3.3Å; D328-K330 WeakPolarHBondContact OD1-CB 3.43Å; D328-K330 PolarHBondContact OD1-N 3.33Å
331G89.5Confident91.9Very high29 Ų2943.4 Ų43.430%0.29921%0.209SC..SBendtrans82.6-163174.800000113.1T333 Y336 Y405G331-T333 VanDerWaalsContact C-N 3.27Å; G331-T333 PolarHBondContact O-N 2.7Å; G331-Y336 VanDerWaalsContact O-CB 3.32Å; G331-Y336 WeakPolarHBondContact O-CB 3.42Å; G331-Y336 WeakPolarHBondContact O-CD1 3.44Å; G331-Y405 VanDerWaalsContact O-CE2 3.3Å; G331-Y405 WeakPolarHBondContact O-CE2 3.48Å
332N94.1Very high92Very high49 Ų4943.4 Ų43.426%0.26221%0.209SC..SBendtrans-79.172.4-173-168.33.4000111.4Y308 D402 Y405Y308-N332 WeakPolarHBondContact CE1-O 3.48Å; Y308-N332 VanDerWaalsContact CE1-OD1 3.28Å; Y308-N332 WeakPolarHBondContact CE1-OD1 3.43Å; Y308-N332 VanDerWaalsContact CZ-OD1 3.29Å; Y308-N332 PolarHBondContact OH-OD1 3.34Å; N332-D402 PolarHBondContact ND2-OD1 3.29Å; N332-Y405 HydrophobicContact CB-CD1 4.29Å; N332-Y405 HydrophobicContact CB-CD2 3.9Å; N332-Y405 HydrophobicContact CB-CE1 4.48Å; N332-Y405 HydrophobicContact CB-CE2 4.11Å; N332-Y405 HydrophobicContact CB-CG 3.98Å
333T94.6Very high92.1Very high13 Ų1347.3 Ų47.38%0.0822%0.223CC..SBendtrans-127.3157.7-179.5710000111.7D328 G331 V335 Y336 L337D328-T333 HydrophobicContact CB-CG2 4.27Å; D328-T333 WeakPolarHBondContact O-CB 3.17Å; D328-T333 PolarHBondContact O-OG1 2.88Å; G331-T333 VanDerWaalsContact C-N 3.27Å; G331-T333 PolarHBondContact O-N 2.7Å; T333-V335 VanDerWaalsContact C-N 3.26Å; T333-V335 PolarHBondContact O-N 3.23Å; T333-Y336 PolarHBondContact O-N 2.86Å; T333-Y336 PolarHBondContact OG1-N 2.97Å; T333-L337 WeakPolarHBondContact O-CG 3.41Å; T333-L337 PolarHBondContact O-N 3.3Å; T333-L337 VanDerWaalsContact O-N 3.1Å
334A94.9Very high92.4Very high2 Ų246.1 Ų46.12%0.01722%0.218CC..Hα-helixtrans-64.2-32.7173.800000112.2C305 Y308 L337 L338C305-A334 HydrophobicContact CB-CB 4.49Å; Y308-A334 HydrophobicContact CD1-CB 4.44Å; Y308-A334 HydrophobicContact CG-CB 4.01Å; A334-L337 PolarHBondContact O-N 3.45Å; A334-L338 VanDerWaalsContact O-CB 3.25Å; A334-L338 WeakPolarHBondContact O-CB 3.35Å; A334-L338 WeakPolarHBondContact O-CG 3.47Å; A334-L338 PolarHBondContact O-N 3.46Å
335V93.4Very high92.7Very high25 Ų2543.7 Ų43.715%0.15220%0.201CC..Hα-helixtrans-57.7-51.4175.8-175.80000110.1V301 C305 L327 D329 T333 L337 L338 Y339V301-V335 HydrophobicContact CG1-CG2 4.18Å; C305-V335 WeakPolarHBondContact SG-CG2 3.27Å; L327-V335 HydrophobicContact CD2-CG2 4.42Å; D329-V335 HydrophobicContact CB-CG1 4.2Å; T333-V335 VanDerWaalsContact C-N 3.26Å; T333-V335 PolarHBondContact O-N 3.23Å; V335-L337 PolarHBondContact O-N 2.89Å; V335-L338 PolarHBondContact O-N 2.9Å; V335-Y339 WeakPolarHBondContact O-CB 3.48Å; V335-Y339 PolarHBondContact O-N 2.89Å
336Y94.2Very high92.8Very high47 Ų4737 Ų3718%0.18418%0.181CC..Hα-helixtrans-60.1-47.4179.1172.1-104000111.4G331 T333 Y339 A340 Y405 S408G331-Y336 VanDerWaalsContact O-CB 3.32Å; G331-Y336 WeakPolarHBondContact O-CB 3.42Å; G331-Y336 WeakPolarHBondContact O-CD1 3.44Å; T333-Y336 PolarHBondContact O-N 2.86Å; T333-Y336 PolarHBondContact OG1-N 2.97Å; Y336-Y339 PolarHBondContact O-N 3.48Å; Y336-A340 WeakPolarHBondContact O-CB 3.27Å; Y336-A340 PolarHBondContact O-N 3.5Å; Y336-Y405 AromaticContact CD1-CD2 3.82Å; Y336-Y405 HydrophobicContact CD1-CD2 3.82Å; Y336-Y405 AromaticContact CD1-CE2 3.66Å; Y336-Y405 HydrophobicContact CD1-CE2 3.66Å; Y336-Y405 AromaticContact CE1-CD2 3.72Å; Y336-Y405 HydrophobicContact CE1-CD2 3.72Å; Y336-Y405 AromaticContact CE1-CE2 3.48Å; Y336-Y405 HydrophobicContact CE1-CE2 3.48Å; Y336-Y405 VanDerWaalsContact CE1-CE2 3.48Å; Y336-S408 WeakPolarHBondContact CE1-OG 3.47Å
337L96.6Very high93Very high0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-65.9-41.2-178.5-73.3-176.3000113.6Y308 T333 A334 V335 Y339 A340 Y341 L404 M447 F451Y308-L337 HydrophobicContact CD2-CD1 4.29Å; Y308-L337 HydrophobicContact CE1-CD1 4.24Å; Y308-L337 HydrophobicContact CE2-CD1 3.42Å; Y308-L337 VanDerWaalsContact CE2-CD1 3.42Å; Y308-L337 VanDerWaalsContact OH-CD1 3.27Å; Y308-L337 WeakPolarHBondContact OH-CD1 3.28Å; T333-L337 WeakPolarHBondContact O-CG 3.41Å; T333-L337 PolarHBondContact O-N 3.3Å; T333-L337 VanDerWaalsContact O-N 3.1Å; A334-L337 PolarHBondContact O-N 3.45Å; V335-L337 PolarHBondContact O-N 2.89Å; L337-Y339 VanDerWaalsContact C-N 3.34Å; L337-A340 PolarHBondContact O-N 2.83Å; L337-Y341 WeakPolarHBondContact O-CB 3.27Å; L337-Y341 PolarHBondContact O-N 2.77Å; L337-L404 HydrophobicContact CD1-CB 4.18Å; L337-M447 HydrophobicContact CD2-CE 4.34Å; L337-F451 HydrophobicContact CB-CE1 3.84Å; L337-F451 HydrophobicContact CB-CZ 3.77Å; L337-F451 HydrophobicContact CD1-CE1 4.09Å
338L95.1Very high93.2Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-66.2-38.8176.2-73.4169.4000111.1V301 A334 V335 Y341 T342 I456 T458 M462V301-L338 HydrophobicContact CG2-CD1 4.43Å; A334-L338 VanDerWaalsContact O-CB 3.25Å; A334-L338 WeakPolarHBondContact O-CB 3.35Å; A334-L338 WeakPolarHBondContact O-CG 3.47Å; A334-L338 PolarHBondContact O-N 3.46Å; V335-L338 PolarHBondContact O-N 2.9Å; L338-Y341 PolarHBondContact O-N 3.01Å; L338-T342 WeakPolarHBondContact O-CG2 3.49Å; L338-T342 PolarHBondContact O-N 3.04Å; L338-T342 PolarHBondContact O-OG1 3.22Å; L338-I456 HydrophobicContact CD1-CG2 4.34Å; L338-I456 HydrophobicContact CD2-CG2 3.94Å; L338-I456 HydrophobicContact CG-CG2 4.37Å; L338-T458 HydrophobicContact CD2-CG2 4.45Å; L338-M462 HydrophobicContact CB-CE 3.54Å; L338-M462 HydrophobicContact CB-SD 4.11Å; L338-M462 HydrophobicContact CD1-CE 3.98Å; L338-M462 HydrophobicContact CG-CE 4.24Å
339Y92.2Very high93.4Very high109 Ų10938.8 Ų38.843%0.42718%0.183SC..Hα-helixtrans-66.6-41173.7-176.8-103.6000112.5V335 Y336 L337 Y341 T342 R343V335-Y339 WeakPolarHBondContact O-CB 3.48Å; V335-Y339 PolarHBondContact O-N 2.89Å; Y336-Y339 PolarHBondContact O-N 3.48Å; L337-Y339 VanDerWaalsContact C-N 3.34Å; Y339-Y341 VanDerWaalsContact C-N 3.32Å; Y339-Y341 PolarHBondContact O-N 2.86Å; Y339-T342 PolarHBondContact O-N 3.18Å; Y339-T342 PolarHBondContact O-OG1 2.9Å; Y339-R343 WeakPolarHBondContact O-CB 3.37Å; Y339-R343 PolarHBondContact O-N 3.25Å
340A94.4Very high93.7Very high9 Ų940.4 Ų40.47%0.07419%0.192CC..Hα-helixtrans-59.8-44.9174.100000110.8Y336 L337 R343 I344 M447Y336-A340 WeakPolarHBondContact O-CB 3.27Å; Y336-A340 PolarHBondContact O-N 3.5Å; L337-A340 PolarHBondContact O-N 2.83Å; A340-R343 PolarHBondContact O-N 3.18Å; A340-I344 WeakPolarHBondContact O-CD1 3.43Å; A340-I344 VanDerWaalsContact O-CG1 3.27Å; A340-I344 WeakPolarHBondContact O-CG1 3.29Å; A340-I344 PolarHBondContact O-N 2.89Å; A340-M447 HydrophobicContact CB-CE 4.33Å
341Y96.9Very high94Very high9 Ų933.2 Ų33.24%0.03516%0.162CC..Hα-helixtrans-59.4-49.3174.8178-95.6000112.4L337 L338 Y339 R343 I344 R345 A444 M447 K448 F451 T458 E460L337-Y341 WeakPolarHBondContact O-CB 3.27Å; L337-Y341 PolarHBondContact O-N 2.77Å; L338-Y341 PolarHBondContact O-N 3.01Å; Y339-Y341 VanDerWaalsContact C-N 3.32Å; Y339-Y341 PolarHBondContact O-N 2.86Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.9Å; Y341-I344 WeakPolarHBondContact O-CB 3.39Å; Y341-I344 PolarHBondContact O-N 3.47Å; Y341-I344 VanDerWaalsContact O-N 3.17Å; Y341-R345 HydrophobicContact CD1-CG 4.17Å; Y341-R345 HydrophobicContact CE1-CG 3.7Å; Y341-R345 HydrophobicContact CE2-CG 4.23Å; Y341-R345 WeakPolarHBondContact O-CG 3.37Å; Y341-R345 PolarHBondContact O-N 2.83Å; Y341-A444 HydrophobicContact CE2-CB 4.07Å; Y341-A444 WeakPolarHBondContact CE2-O 3.48Å; Y341-M447 HydrophobicContact CD2-CB 4.15Å; Y341-K448 HydrophobicContact CE2-CB 4.09Å; Y341-F451 HydrophobicContact CD2-CE2 4.17Å; Y341-F451 HydrophobicContact CG-CE2 4.1Å; Y341-T458 HydrophobicContact CD1-CG2 4.18Å; Y341-T458 HydrophobicContact CE1-CG2 4.09Å; Y341-E460 PolarHBondContact OH-OE1 2.9Å
342T93.9Very high94.1Very high7 Ų735 Ų354%0.04318%0.18CC..Hα-helixtrans-64.6-34.2-179.764.10000112.1L338 Y339 R345 S346 V459 M462L338-T342 WeakPolarHBondContact O-CG2 3.49Å; L338-T342 PolarHBondContact O-N 3.04Å; L338-T342 PolarHBondContact O-OG1 3.22Å; Y339-T342 PolarHBondContact O-N 3.18Å; Y339-T342 PolarHBondContact O-OG1 2.9Å; T342-R345 PolarHBondContact O-N 2.94Å; T342-S346 WeakPolarHBondContact O-CB 3.3Å; T342-S346 PolarHBondContact O-N 2.85Å; T342-V459 HydrophobicContact CG2-CG2 3.98Å; T342-V459 WeakPolarHBondContact CG2-O 3.36Å; T342-M462 HydrophobicContact CG2-CB 3.54Å
343R93.9Very high93.8Very high89 Ų8934.9 Ų34.934%0.33618%0.176SC..Hα-helixtrans-62.5-45.6172.9-175.8177.5173.9-177-4.3111.6Y339 A340 Y341 R345 S346 I347 D416Y339-R343 WeakPolarHBondContact O-CB 3.37Å; Y339-R343 PolarHBondContact O-N 3.25Å; A340-R343 PolarHBondContact O-N 3.18Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.9Å; R343-R345 PolarHBondContact O-N 3.46Å; R343-S346 WeakPolarHBondContact O-CB 3.47Å; R343-S346 PolarHBondContact O-N 3.17Å; R343-I347 HydrophobicContact CG-CD1 4.43Å; R343-I347 WeakPolarHBondContact O-CG1 3.43Å; R343-I347 PolarHBondContact O-N 2.99Å; R343-D416 IonicContact NH2-OD1 3.63Å
344I96Very high93.5Very high0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-58.5-48.7175.7-64.4159.6000110.5A340 Y341 S346 I347 I348 F411 C440 T443 A444 M447A340-I344 WeakPolarHBondContact O-CD1 3.43Å; A340-I344 VanDerWaalsContact O-CG1 3.27Å; A340-I344 WeakPolarHBondContact O-CG1 3.29Å; A340-I344 PolarHBondContact O-N 2.89Å; Y341-I344 WeakPolarHBondContact O-CB 3.39Å; Y341-I344 PolarHBondContact O-N 3.47Å; Y341-I344 VanDerWaalsContact O-N 3.17Å; I344-S346 VanDerWaalsContact C-N 3.27Å; I344-S346 PolarHBondContact O-N 2.85Å; I344-I347 WeakPolarHBondContact O-CB 3.43Å; I344-I347 PolarHBondContact O-N 3.31Å; I344-I348 HydrophobicContact CG2-CD1 4.16Å; I344-I348 PolarHBondContact O-N 2.95Å; I344-F411 HydrophobicContact CB-CE1 4.48Å; I344-F411 HydrophobicContact CB-CZ 4.3Å; I344-F411 HydrophobicContact CD1-CD1 3.98Å; I344-F411 HydrophobicContact CD1-CD2 4.25Å; I344-F411 HydrophobicContact CD1-CE1 4.22Å; I344-F411 HydrophobicContact CD1-CE2 4.45Å; I344-F411 HydrophobicContact CD1-CG 4.02Å; I344-F411 HydrophobicContact CD1-CZ 4.45Å; I344-F411 HydrophobicContact CG1-CD1 3.63Å; I344-F411 HydrophobicContact CG1-CD2 4.15Å; I344-F411 HydrophobicContact CG1-CE1 3.36Å; I344-F411 HydrophobicContact CG1-CE2 3.89Å; I344-F411 HydrophobicContact CG1-CG 4.04Å; I344-F411 HydrophobicContact CG1-CZ 3.5Å; I344-F411 HydrophobicContact CG2-CE2 4.35Å; I344-F411 HydrophobicContact CG2-CZ 4.3Å; I344-C440 HydrophobicContact CG2-CB 4.12Å; I344-C440 WeakPolarHBondContact CG2-O 3.45Å; I344-T443 HydrophobicContact CD1-CG2 3.76Å; I344-A444 HydrophobicContact CG2-CB 3.88Å; I344-M447 HydrophobicContact CD1-SD 3.55Å; I344-M447 VanDerWaalsContact CD1-SD 3.55Å
345R94.8Very high93.2Very high45 Ų4542.4 Ų42.417%0.1722%0.217CC..Hα-helixtrans-61.9-35.4177.5-62.2-60.1-66.1178.9-10.7112.4Y341 T342 R343 I348 R349 E441 E460Y341-R345 HydrophobicContact CD1-CG 4.17Å; Y341-R345 HydrophobicContact CE1-CG 3.7Å; Y341-R345 HydrophobicContact CE2-CG 4.23Å; Y341-R345 WeakPolarHBondContact O-CG 3.37Å; Y341-R345 PolarHBondContact O-N 2.83Å; T342-R345 PolarHBondContact O-N 2.94Å; R343-R345 PolarHBondContact O-N 3.46Å; R345-I348 PolarHBondContact O-N 3.33Å; R345-R349 WeakPolarHBondContact O-CB 3.29Å; R345-R349 PolarHBondContact O-N 3.01Å; R345-E441 IonicContact NH1-OE1 3.92Å; R345-E441 IonicContact NH1-OE2 2.89Å; R345-E441 PolarHBondContact NH1-OE2 2.96Å; R345-E460 IonicContact CZ-OE2 3.61Å; R345-E460 IonicContact NE-OE1 3.42Å; R345-E460 IonicContact NE-OE2 2.75Å; R345-E460 PolarHBondContact NE-OE2 3.33Å; R345-E460 IonicContact NH2-OE1 3.5Å; R345-E460 IonicContact NH2-OE2 2.71Å; R345-E460 PolarHBondContact NH2-OE2 3.4Å
346S93.2Very high93.1Very high35 Ų3548.2 Ų48.225%0.24524%0.24CC..Hα-helixtrans-65.1-41.1175.2-164.60000112.6T342 R343 I344 I348 R349 N350T342-S346 WeakPolarHBondContact O-CB 3.3Å; T342-S346 PolarHBondContact O-N 2.85Å; R343-S346 WeakPolarHBondContact O-CB 3.47Å; R343-S346 PolarHBondContact O-N 3.17Å; I344-S346 VanDerWaalsContact C-N 3.27Å; I344-S346 PolarHBondContact O-N 2.85Å; S346-I348 VanDerWaalsContact C-N 3.33Å; S346-I348 PolarHBondContact O-N 3.19Å; S346-R349 PolarHBondContact O-N 2.85Å; S346-R349 PolarHBondContact OG-NH2 3.48Å; S346-R349 VanDerWaalsContact OG-NH2 3.12Å; S346-N350 WeakPolarHBondContact O-CB 3.5Å; S346-N350 PolarHBondContact O-N 3.36Å; S346-N350 PolarHBondContact O-ND2 3.22Å
347I94.8Very high92.9Very high6 Ų648.1 Ų48.13%0.03125%0.245CC..Hα-helixtrans-59.4-46.8175.7-66.8156000110.3R343 I344 R349 N350 A351 F411 Y415 C420 I437R343-I347 HydrophobicContact CG-CD1 4.43Å; R343-I347 WeakPolarHBondContact O-CG1 3.43Å; R343-I347 PolarHBondContact O-N 2.99Å; I344-I347 WeakPolarHBondContact O-CB 3.43Å; I344-I347 PolarHBondContact O-N 3.31Å; I347-R349 PolarHBondContact O-N 3.08Å; I347-N350 PolarHBondContact O-N 3.4Å; I347-A351 PolarHBondContact O-N 3.33Å; I347-F411 HydrophobicContact CD1-CE1 4.04Å; I347-F411 HydrophobicContact CD1-CZ 3.84Å; I347-Y415 HydrophobicContact CB-CE2 4.47Å; I347-Y415 HydrophobicContact CD1-CD2 3.41Å; I347-Y415 VanDerWaalsContact CD1-CD2 3.41Å; I347-Y415 HydrophobicContact CD1-CE1 4.4Å; I347-Y415 HydrophobicContact CD1-CE2 3.18Å; I347-Y415 HydrophobicContact CD1-CG 4.11Å; I347-Y415 HydrophobicContact CG1-CD2 4.28Å; I347-Y415 HydrophobicContact CG1-CE2 3.55Å; I347-Y415 HydrophobicContact CG2-CE2 4.06Å; I347-C420 HydrophobicContact CG2-CB 4.04Å; I347-I437 HydrophobicContact CG2-CD1 4.13Å
348I94.4Very high92.7Very high8 Ų848.3 Ų48.34%0.04125%0.246CC..Hα-helixtrans-61.5-45.2178.7-65.2161.2000111I344 R345 S346 N350 A351 G352 I358 I437 C440 E441I344-I348 HydrophobicContact CG2-CD1 4.16Å; I344-I348 PolarHBondContact O-N 2.95Å; R345-I348 PolarHBondContact O-N 3.33Å; S346-I348 VanDerWaalsContact C-N 3.33Å; S346-I348 PolarHBondContact O-N 3.19Å; I348-N350 VanDerWaalsContact C-N 3.34Å; I348-N350 PolarHBondContact O-N 2.89Å; I348-A351 WeakPolarHBondContact O-CB 3.5Å; I348-A351 PolarHBondContact O-N 3.06Å; I348-G352 PolarHBondContact O-N 3.28Å; I348-I358 HydrophobicContact CG2-CD1 3.35Å; I348-I437 HydrophobicContact CG1-CG2 4.36Å; I348-C440 HydrophobicContact CD1-CB 4.14Å; I348-C440 HydrophobicContact CG1-CB 3.92Å; I348-E441 HydrophobicContact CD1-CB 4.23Å; I348-E441 WeakPolarHBondContact CD1-OE2 3.41Å
349R92.4Very high92.5Very high108 Ų10850.8 Ų50.841%0.40826%0.259SS..Hα-helixtrans-62.2-40.8176.6-178.1173.657.7-119.1-0.9112.2R345 S346 I347 A351 G352 E460R345-R349 WeakPolarHBondContact O-CB 3.29Å; R345-R349 PolarHBondContact O-N 3.01Å; S346-R349 PolarHBondContact O-N 2.85Å; S346-R349 PolarHBondContact OG-NH2 3.48Å; S346-R349 VanDerWaalsContact OG-NH2 3.12Å; I347-R349 PolarHBondContact O-N 3.08Å; R349-A351 VanDerWaalsContact C-N 3.27Å; R349-A351 PolarHBondContact O-N 3.27Å; R349-G352 PolarHBondContact O-N 3.49Å; R349-E460 PolarHBondContact NH1-O 2.91Å
350N93Very high92.6Very high100 Ų10050.3 Ų50.354%0.53526%0.26SS..Hα-helixtrans-70.1-24.1178.1-70.8-16.4000112.9S346 I347 I348 G352 I421S346-N350 WeakPolarHBondContact O-CB 3.5Å; S346-N350 PolarHBondContact O-N 3.36Å; S346-N350 PolarHBondContact O-ND2 3.22Å; I347-N350 PolarHBondContact O-N 3.4Å; I348-N350 VanDerWaalsContact C-N 3.34Å; I348-N350 PolarHBondContact O-N 2.89Å; N350-G352 PolarHBondContact O-N 2.95Å; N350-I421 HydrophobicContact CB-CD1 3.94Å
351A92.9Very high92.4Very high7 Ų750.7 Ų50.76%0.05826%0.261CS..THydrogen-bonded Turntrans-73.6-8.2169.100000112.7I347 I348 R349 Y353 I421 I432 I437I347-A351 PolarHBondContact O-N 3.33Å; I348-A351 WeakPolarHBondContact O-CB 3.5Å; I348-A351 PolarHBondContact O-N 3.06Å; R349-A351 VanDerWaalsContact C-N 3.27Å; R349-A351 PolarHBondContact O-N 3.27Å; A351-Y353 HydrophobicContact CB-CD2 3.96Å; A351-Y353 HydrophobicContact CB-CE2 4.28Å; A351-Y353 PolarHBondContact O-N 3.32Å; A351-I421 HydrophobicContact CB-CD1 3.94Å; A351-I421 HydrophobicContact CB-CG1 4.31Å; A351-I432 HydrophobicContact CB-CD1 4.27Å; A351-I432 HydrophobicContact CB-CG2 4.08Å; A351-I432 VanDerWaalsContact O-CD1 3.25Å; A351-I432 WeakPolarHBondContact O-CD1 3.27Å; A351-I437 HydrophobicContact CB-CD1 3.77Å; A351-I437 HydrophobicContact CB-CG1 4.08Å
352G91.1Very high92.1Very high66 Ų6652.7 Ų52.768%0.6828%0.276SS*.THydrogen-bonded Turntrans7116.6177.300000114.2I348 R349 N350I348-G352 PolarHBondContact O-N 3.28Å; R349-G352 PolarHBondContact O-N 3.49Å; N350-G352 PolarHBondContact O-N 2.95Å
353Y88.1Confident92.1Very high48 Ų4860.8 Ų60.819%0.18831%0.311CS..  trans-95.6134.6178.5-62.5-42.1000111.9A351 T357 I361 I432 K434 I437A351-Y353 HydrophobicContact CB-CD2 3.96Å; A351-Y353 HydrophobicContact CB-CE2 4.28Å; A351-Y353 PolarHBondContact O-N 3.32Å; Y353-T357 HydrophobicContact CD1-CG2 3.68Å; Y353-T357 HydrophobicContact CE1-CG2 4.33Å; Y353-T357 HydrophobicContact CG-CG2 4.28Å; Y353-I361 HydrophobicContact CD1-CD1 4.21Å; Y353-I361 HydrophobicContact CD2-CD1 4.15Å; Y353-I361 HydrophobicContact CE1-CD1 4.04Å; Y353-I361 HydrophobicContact CE2-CD1 3.98Å; Y353-I361 HydrophobicContact CG-CD1 4.28Å; Y353-I432 HydrophobicContact CE2-CG2 3.58Å; Y353-K434 HydrophobicContact CE2-CG 4.49Å; Y353-K434 WeakPolarHBondContact OH-CE 3.39Å; Y353-I437 HydrophobicContact CD2-CB 4.4Å; Y353-I437 HydrophobicContact CD2-CG1 4.41Å; Y353-I437 HydrophobicContact CD2-CG2 3.9Å; Y353-I437 HydrophobicContact CE2-CG1 4.29Å
354S88.6Confident91.9Very high61 Ų6161.8 Ų61.843%0.42733%0.327SS..  trans-79.4160.1166.575.30000110.6K356 T357 I358S354-K356 PolarHBondContact O-N 2.86Å; S354-T357 WeakPolarHBondContact O-CA 3.44Å; S354-T357 WeakPolarHBondContact O-CB 3.43Å; S354-T357 PolarHBondContact O-N 3Å; S354-T357 PolarHBondContact OG-N 3.22Å; S354-T357 VanDerWaalsContact OG-N 3.12Å; S354-T357 PolarHBondContact OG-OG1 2.9Å; S354-I358 WeakPolarHBondContact O-CG1 3.46Å; S354-I358 PolarHBondContact O-N 3.28Å
355E86.8Confident91.5Very high111 Ų11163.2 Ų63.252%0.51934%0.336SS..Hα-helixtrans-55.2-38.6174.2-171.5-177.3169.200111.9T357 I358 N359 R445E355-T357 PolarHBondContact O-N 3.33Å; E355-I358 PolarHBondContact O-N 3.5Å; E355-N359 WeakPolarHBondContact O-CB 3.35Å; E355-N359 PolarHBondContact O-N 2.96Å; E355-N359 PolarHBondContact O-ND2 3.3Å; E355-R445 IonicContact OE1-NH2 2.86Å
356K91.1Very high91.1Very high148 Ų14865.5 Ų65.564%0.64336%0.356SS*.Hα-helixtrans-60.5-45.8174.6-173.8-177.9176-1730111.4S354 I358 N359 E360S354-K356 PolarHBondContact O-N 2.86Å; K356-I358 VanDerWaalsContact C-N 3.35Å; K356-I358 PolarHBondContact O-N 3.16Å; K356-N359 PolarHBondContact O-N 3.32Å; K356-E360 VanDerWaalsContact CE-OE1 3.27Å; K356-E360 WeakPolarHBondContact CE-OE1 3.27Å; K356-E360 WeakPolarHBondContact O-CG 3.33Å; K356-E360 PolarHBondContact O-N 2.95Å
357T91.7Very high90.9Very high45 Ų4567.5 Ų67.528%0.27636%0.364SS..Hα-helixtrans-62.3-42.3178.5-49.90000111.3Y353 S354 E355 N359 E360 I361Y353-T357 HydrophobicContact CD1-CG2 3.68Å; Y353-T357 HydrophobicContact CE1-CG2 4.33Å; Y353-T357 HydrophobicContact CG-CG2 4.28Å; S354-T357 WeakPolarHBondContact O-CA 3.44Å; S354-T357 WeakPolarHBondContact O-CB 3.43Å; S354-T357 PolarHBondContact O-N 3Å; S354-T357 PolarHBondContact OG-N 3.22Å; S354-T357 VanDerWaalsContact OG-N 3.12Å; S354-T357 PolarHBondContact OG-OG1 2.9Å; E355-T357 PolarHBondContact O-N 3.33Å; T357-N359 PolarHBondContact O-N 2.99Å; T357-E360 PolarHBondContact O-N 3.43Å; T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 HydrophobicContact CG2-CG1 4.48Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.35Å; T357-I361 PolarHBondContact O-N 3.48Å
358I91.9Very high90.5Very high4 Ų472.3 Ų72.32%0.02139%0.389CS..Hα-helixtrans-66.2-40178.6-58.6165.7000111I348 S354 E355 K356 E360 I361 S362 I437 V438 E441I348-I358 HydrophobicContact CG2-CD1 3.35Å; S354-I358 WeakPolarHBondContact O-CG1 3.46Å; S354-I358 PolarHBondContact O-N 3.28Å; E355-I358 PolarHBondContact O-N 3.5Å; K356-I358 VanDerWaalsContact C-N 3.35Å; K356-I358 PolarHBondContact O-N 3.16Å; I358-E360 PolarHBondContact O-N 2.89Å; I358-I361 PolarHBondContact O-N 3.12Å; I358-S362 WeakPolarHBondContact O-CB 3.44Å; I358-S362 PolarHBondContact O-N 3.4Å; I358-S362 PolarHBondContact O-OG 3.38Å; I358-I437 HydrophobicContact CD1-CG2 4.33Å; I358-I437 HydrophobicContact CG1-CG2 4.42Å; I358-V438 HydrophobicContact CG2-CG2 4.23Å; I358-E441 HydrophobicContact CD1-CB 4.27Å; I358-E441 HydrophobicContact CD1-CG 4.34Å; I358-E441 HydrophobicContact CG2-CB 3.77Å; I358-E441 HydrophobicContact CG2-CG 3.79Å
359N91.3Very high90.3Very high51 Ų5175.1 Ų75.127%0.27340%0.4SS..Hα-helixtrans-64.7-26.7174.8-75.3-30000113.4E355 K356 T357 S362 K363 R445E355-N359 WeakPolarHBondContact O-CB 3.35Å; E355-N359 PolarHBondContact O-N 2.96Å; E355-N359 PolarHBondContact O-ND2 3.3Å; K356-N359 PolarHBondContact O-N 3.32Å; T357-N359 PolarHBondContact O-N 2.99Å; N359-S362 PolarHBondContact O-OG 3.12Å; N359-K363 WeakPolarHBondContact O-CG 3.15Å; N359-R445 PolarHBondContact OD1-NH1 2.84Å; N359-R445 VanDerWaalsContact OD1-NH1 3.08Å; N359-R445 PolarHBondContact OD1-NH2 3Å
360E93.1Very high90.2Very high100 Ų10078.1 Ų78.147%0.46742%0.419SS..Hα-helixtrans-78.3-45.7172.6-72.1168-177.300110.7K356 T357 I358 S362 K363K356-E360 VanDerWaalsContact CE-OE1 3.27Å; K356-E360 WeakPolarHBondContact CE-OE1 3.27Å; K356-E360 WeakPolarHBondContact O-CG 3.33Å; K356-E360 PolarHBondContact O-N 2.95Å; T357-E360 PolarHBondContact O-N 3.43Å; I358-E360 PolarHBondContact O-N 2.89Å; E360-S362 VanDerWaalsContact C-N 3.32Å; E360-S362 PolarHBondContact O-N 3.44Å; E360-K363 PolarHBondContact O-N 2.96Å
361I90.8Very high90.3Very high16 Ų1676.6 Ų76.68%0.08241%0.409CS..Hα-helixtrans-55.8-46.6175.9-71.3170.1000110.7Y353 T357 I358 K363 T364 V365 K434 V438Y353-I361 HydrophobicContact CD1-CD1 4.21Å; Y353-I361 HydrophobicContact CD2-CD1 4.15Å; Y353-I361 HydrophobicContact CE1-CD1 4.04Å; Y353-I361 HydrophobicContact CE2-CD1 3.98Å; Y353-I361 HydrophobicContact CG-CD1 4.28Å; T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 HydrophobicContact CG2-CG1 4.48Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.35Å; T357-I361 PolarHBondContact O-N 3.48Å; I358-I361 PolarHBondContact O-N 3.12Å; I361-K363 PolarHBondContact O-N 3.27Å; I361-K363 VanDerWaalsContact O-N 3.14Å; I361-T364 PolarHBondContact O-N 2.94Å; I361-T364 PolarHBondContact O-OG1 3.35Å; I361-T364 VanDerWaalsContact O-OG1 3.08Å; I361-V365 HydrophobicContact CG2-CB 4.18Å; I361-V365 HydrophobicContact CG2-CG2 3.62Å; I361-V365 WeakPolarHBondContact O-CB 3.34Å; I361-V365 PolarHBondContact O-N 3.07Å; I361-K434 HydrophobicContact CD1-CD 4.37Å; I361-K434 HydrophobicContact CD1-CG 4.47Å; I361-K434 HydrophobicContact CG2-CB 3.88Å; I361-K434 HydrophobicContact CG2-CD 4.41Å; I361-K434 HydrophobicContact CG2-CG 4.5Å; I361-V438 HydrophobicContact CG2-CG2 3.79Å
362S91.4Very high90.5Very high52 Ų5280.3 Ų80.336%0.36443%0.432SS..Hα-helixtrans-63.8-19.2-177.268.10000114.1I358 N359 E360I358-S362 WeakPolarHBondContact O-CB 3.44Å; I358-S362 PolarHBondContact O-N 3.4Å; I358-S362 PolarHBondContact O-OG 3.38Å; N359-S362 PolarHBondContact O-OG 3.12Å; E360-S362 VanDerWaalsContact C-N 3.32Å; E360-S362 PolarHBondContact O-N 3.44Å
363K92.7Very high90.8Very high177 Ų17780 Ų8077%0.7741%0.414SS*.Hα-helixtrans-83.6-21.4174.1-66.4173-175.4178.10113.1N359 E360 I361N359-K363 WeakPolarHBondContact O-CG 3.15Å; E360-K363 PolarHBondContact O-N 2.96Å; I361-K363 PolarHBondContact O-N 3.27Å; I361-K363 VanDerWaalsContact O-N 3.14Å
364T89.9Confident91.2Very high109 Ų10978.1 Ų78.167%0.66941%0.407SS*.Hα-helixtrans-112.6-29-171.259.20000114I361I361-T364 PolarHBondContact O-N 2.94Å; I361-T364 PolarHBondContact O-OG1 3.35Å; I361-T364 VanDerWaalsContact O-OG1 3.08Å
365V87.1Confident91.6Very high31 Ų3178.6 Ų78.619%0.18840%0.404CS..SBendtrans-90.1120.5-175.7175.90000109.2I361 L367 K434 E435I361-V365 HydrophobicContact CG2-CB 4.18Å; I361-V365 HydrophobicContact CG2-CG2 3.62Å; I361-V365 WeakPolarHBondContact O-CB 3.34Å; I361-V365 PolarHBondContact O-N 3.07Å; V365-L367 PolarHBondContact O-N 3.49Å; V365-K434 HydrophobicContact CG2-CB 4.3Å; V365-K434 HydrophobicContact CG2-CD 4.41Å; V365-E435 HydrophobicContact CG1-CB 4.07Å
366P87.3Confident92.1Very high92 Ų9276 Ų7660%0.59740%0.396SS*.  trans-66.2126.5172.727.2-31.9000109.6I368P366-I368 HydrophobicContact CB-CD1 4.5Å; P366-I368 HydrophobicContact CB-CG1 4.29Å; P366-I368 PolarHBondContact O-N 3.22Å
367L88Confident92.5Very high77 Ų7769 Ų6940%0.40337%0.366SS..  trans-82.892.2174.9-65177.2000109.3V365 F369 E435 V438V365-L367 PolarHBondContact O-N 3.49Å; L367-F369 HydrophobicContact CB-CE1 4.02Å; L367-F369 HydrophobicContact CB-CZ 3.8Å; L367-F369 HydrophobicContact CD1-CZ 4.39Å; L367-E435 HydrophobicContact CD2-CB 3.93Å; L367-V438 HydrophobicContact CD1-CG1 4.21Å; L367-V438 HydrophobicContact CD2-CB 4.1Å; L367-V438 HydrophobicContact CD2-CG1 3.96Å
368I87.2Confident92.7Very high108 Ų10867.4 Ų67.455%0.55436%0.357SS*.  trans-102.6116.9175-54.5177.1000107.5P366 E370P366-I368 HydrophobicContact CB-CD1 4.5Å; P366-I368 HydrophobicContact CB-CG1 4.29Å; P366-I368 PolarHBondContact O-N 3.22Å; I368-E370 HydrophobicContact CG2-CG 3.91Å; I368-E370 PolarHBondContact O-N 2.95Å
369F90.2Very high93Very high66 Ų6672.8 Ų72.829%0.28938%0.38SS..  trans-97.888.6-178.9-50.7-55000109.7L367 E374 L375 A378 L439L367-F369 HydrophobicContact CB-CE1 4.02Å; L367-F369 HydrophobicContact CB-CZ 3.8Å; L367-F369 HydrophobicContact CD1-CZ 4.39Å; F369-E374 HydrophobicContact CB-CB 4Å; F369-E374 HydrophobicContact CD1-CB 4Å; F369-E374 HydrophobicContact CG-CB 4.39Å; F369-L375 HydrophobicContact CB-CB 4.25Å; F369-L375 HydrophobicContact CB-CD1 4.47Å; F369-L375 HydrophobicContact CD2-CD1 4.42Å; F369-A378 HydrophobicContact CD1-CB 4.45Å; F369-A378 HydrophobicContact CD2-CB 3.91Å; F369-A378 HydrophobicContact CE1-CB 4.12Å; F369-A378 HydrophobicContact CE2-CB 3.53Å; F369-A378 HydrophobicContact CG-CB 4.35Å; F369-A378 HydrophobicContact CZ-CB 3.64Å; F369-L439 HydrophobicContact CD1-CD1 4.16Å; F369-L439 HydrophobicContact CE1-CD1 3.9Å; F369-L439 HydrophobicContact CE1-CD2 3.77Å; F369-L439 HydrophobicContact CE1-CG 4.06Å; F369-L439 HydrophobicContact CZ-CD2 4.22Å
370E89.7Confident93.3Very high172 Ų17270.6 Ų70.680%0.80437%0.369SS*.  trans-82.2-35.9-180-62.9-172166.200111.3I368 E374I368-E370 HydrophobicContact CG2-CG 3.91Å; I368-E370 PolarHBondContact O-N 2.95Å; E370-E374 PolarHBondContact N-OE2 3.42Å
371H95.9Very high93.5Very high68 Ų6866.9 Ų66.932%0.31535%0.352SS..SBendtrans-83.3137.7-178.8-166.7-96000111.3M373 E374 L375 C418H371-M373 WeakPolarHBondContact ND1-CB 3.44Å; H371-M373 PolarHBondContact ND1-N 3.07Å; H371-M373 VanDerWaalsContact ND1-N 3.19Å; H371-M373 PolarHBondContact O-N 3.06Å; H371-M373 VanDerWaalsContact O-N 3.12Å; H371-E374 HydrophobicContact CB-CB 4.48Å; H371-E374 HydrophobicContact CB-CG 4.02Å; H371-E374 PolarHBondContact N-OE2 2.99Å; H371-E374 WeakPolarHBondContact O-CB 3.3Å; H371-E374 PolarHBondContact O-N 3.46Å; H371-L375 PolarHBondContact O-N 3.22Å; H371-C418 PolarHBondContact ND1-SG 3.48Å
372P96.7Very high93.8Very high84 Ų8470.8 Ų70.855%0.54538%0.38SS..Hα-helixtrans-54.2-36.2179.5-28.735.4000114.2L375 T376P372-L375 PolarHBondContact O-N 3.47Å; P372-T376 PolarHBondContact O-N 2.88Å; P372-T376 PolarHBondContact O-OG1 2.99Å; P372-T376 VanDerWaalsContact O-OG1 3.08Å
373M97.4Very high94.1Very high60 Ų6075.3 Ų75.330%0.29639%0.389SS..Hα-helixtrans-71.4-31.7179-60.1-61.9107.200113.2H371 L375 T376 L377 N413 F414 A417H371-M373 WeakPolarHBondContact ND1-CB 3.44Å; H371-M373 PolarHBondContact ND1-N 3.07Å; H371-M373 VanDerWaalsContact ND1-N 3.19Å; H371-M373 PolarHBondContact O-N 3.06Å; H371-M373 VanDerWaalsContact O-N 3.12Å; M373-L375 VanDerWaalsContact C-N 3.35Å; M373-T376 PolarHBondContact O-N 3.48Å; M373-L377 WeakPolarHBondContact O-CB 3.45Å; M373-L377 PolarHBondContact O-N 3.24Å; M373-N413 HydrophobicContact SD-CB 3.96Å; M373-F414 HydrophobicContact CB-CB 4.31Å; M373-A417 HydrophobicContact CG-CB 4.02Å
374E96.9Very high94.4Very high8 Ų867.8 Ų67.84%0.03736%0.357CS..Hα-helixtrans-64.1-44.6172.5-68.1166.2167.300110F369 E370 H371 L377 A378 F414 R436 L439F369-E374 HydrophobicContact CB-CB 4Å; F369-E374 HydrophobicContact CD1-CB 4Å; F369-E374 HydrophobicContact CG-CB 4.39Å; E370-E374 PolarHBondContact N-OE2 3.42Å; H371-E374 HydrophobicContact CB-CB 4.48Å; H371-E374 HydrophobicContact CB-CG 4.02Å; H371-E374 PolarHBondContact N-OE2 2.99Å; H371-E374 WeakPolarHBondContact O-CB 3.3Å; H371-E374 PolarHBondContact O-N 3.46Å; E374-L377 PolarHBondContact O-N 3.31Å; E374-A378 VanDerWaalsContact O-CB 3.31Å; E374-A378 WeakPolarHBondContact O-CB 3.48Å; E374-A378 PolarHBondContact O-N 3.3Å; E374-F414 HydrophobicContact CG-CD2 3.93Å; E374-F414 HydrophobicContact CG-CE2 3.78Å; E374-R436 IonicContact OE1-CZ 3.91Å; E374-R436 VanDerWaalsContact OE1-CZ 3.28Å; E374-R436 IonicContact OE1-NE 2.76Å; E374-R436 PolarHBondContact OE1-NE 3.34Å; E374-R436 IonicContact OE1-NH2 3.85Å; E374-R436 PolarHBondContact OE1-NH2 3.49Å; E374-L439 HydrophobicContact CB-CD1 4.21Å; E374-L439 HydrophobicContact CG-CD1 4.24Å
375L96.5Very high94.8Very high72 Ų7266 Ų6638%0.37735%0.348SS..Hα-helixtrans-65.8-39.8178.6-17663.2000112.3F369 H371 P372 M373 K379F369-L375 HydrophobicContact CB-CB 4.25Å; F369-L375 HydrophobicContact CB-CD1 4.47Å; F369-L375 HydrophobicContact CD2-CD1 4.42Å; H371-L375 PolarHBondContact O-N 3.22Å; P372-L375 PolarHBondContact O-N 3.47Å; M373-L375 VanDerWaalsContact C-N 3.35Å; L375-K379 HydrophobicContact CG-CD 4.33Å; L375-K379 WeakPolarHBondContact O-CB 3.3Å; L375-K379 VanDerWaalsContact O-CG 3.3Å; L375-K379 WeakPolarHBondContact O-CG 3.33Å; L375-K379 PolarHBondContact O-N 3.22Å
376T97.9Very high95.3Very high57 Ų5769.8 Ų69.835%0.3537%0.367SS..Hα-helixtrans-60.4-51.9175.1-64.90000110.8P372 M373 A378 K379 A380P372-T376 PolarHBondContact O-N 2.88Å; P372-T376 PolarHBondContact O-OG1 2.99Å; P372-T376 VanDerWaalsContact O-OG1 3.08Å; M373-T376 PolarHBondContact O-N 3.48Å; T376-A378 PolarHBondContact O-N 3Å; T376-K379 PolarHBondContact O-N 3.46Å; T376-A380 PolarHBondContact O-N 3.19Å
377L98.2Very high95.8Very high0 Ų067.2 Ų67.20%035%0.348CS..Hα-helixtrans-60.8-45.8179.2179.860.9000111.5M373 E374 K379 A380 L381 L407 D410 F411 F414 L439M373-L377 WeakPolarHBondContact O-CB 3.45Å; M373-L377 PolarHBondContact O-N 3.24Å; E374-L377 PolarHBondContact O-N 3.31Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 3.43Å; L377-A380 WeakPolarHBondContact O-CB 3.25Å; L377-A380 PolarHBondContact O-N 3.35Å; L377-A380 VanDerWaalsContact O-N 3.12Å; L377-L381 HydrophobicContact CD1-CG 4.41Å; L377-L381 HydrophobicContact CG-CD1 4.24Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.41Å; L377-L407 HydrophobicContact CD1-CD1 3.69Å; L377-D410 HydrophobicContact CD1-CB 4.35Å; L377-F411 HydrophobicContact CD1-CB 4.35Å; L377-F411 HydrophobicContact CD2-CD2 4.02Å; L377-F414 HydrophobicContact CB-CB 4.48Å; L377-F414 HydrophobicContact CD2-CB 4.01Å; L377-F414 HydrophobicContact CD2-CD1 3.58Å; L377-F414 HydrophobicContact CD2-CD2 4.43Å; L377-F414 HydrophobicContact CD2-CE1 4.14Å; L377-F414 HydrophobicContact CD2-CG 3.73Å; L377-L439 HydrophobicContact CD2-CB 4.4Å
378A96.9Very high96.3Very high12 Ų1263.7 Ų63.710%0.09933%0.329CS..Hα-helixtrans-58.6-41.5178.300000112.4F369 E374 T376 L381 C382 L439F369-A378 HydrophobicContact CD1-CB 4.45Å; F369-A378 HydrophobicContact CD2-CB 3.91Å; F369-A378 HydrophobicContact CE1-CB 4.12Å; F369-A378 HydrophobicContact CE2-CB 3.53Å; F369-A378 HydrophobicContact CG-CB 4.35Å; F369-A378 HydrophobicContact CZ-CB 3.64Å; E374-A378 VanDerWaalsContact O-CB 3.31Å; E374-A378 WeakPolarHBondContact O-CB 3.48Å; E374-A378 PolarHBondContact O-N 3.3Å; T376-A378 PolarHBondContact O-N 3Å; A378-L381 PolarHBondContact O-N 3.17Å; A378-C382 PolarHBondContact O-N 3.46Å; A378-C382 PolarHBondContact O-SG 3.37Å; A378-L439 HydrophobicContact CB-CD2 4.38Å
379K97.1Very high96.8Very high117 Ų11762.8 Ų62.851%0.50933%0.325SS..Hα-helixtrans-65.6-41.7174.8-74.7173.2179.9174.90111.9L375 T376 L377 L381 C382L375-K379 HydrophobicContact CG-CD 4.33Å; L375-K379 WeakPolarHBondContact O-CB 3.3Å; L375-K379 VanDerWaalsContact O-CG 3.3Å; L375-K379 WeakPolarHBondContact O-CG 3.33Å; L375-K379 PolarHBondContact O-N 3.22Å; T376-K379 PolarHBondContact O-N 3.46Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 3.43Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-C382 PolarHBondContact O-N 3.4Å
380A98.2Very high97.2Very high5 Ų564.9 Ų64.94%0.04133%0.334CS..Hα-helixtrans-61.8-4217800000111.7T376 L377 C382 R383 Y403 L407T376-A380 PolarHBondContact O-N 3.19Å; L377-A380 WeakPolarHBondContact O-CB 3.25Å; L377-A380 PolarHBondContact O-N 3.35Å; L377-A380 VanDerWaalsContact O-N 3.12Å; A380-C382 VanDerWaalsContact C-N 3.28Å; A380-C382 PolarHBondContact O-N 2.94Å; A380-R383 PolarHBondContact O-N 3.01Å; A380-R383 VanDerWaalsContact O-N 3.16Å; A380-Y403 VanDerWaalsContact O-CE2 3.29Å; A380-Y403 WeakPolarHBondContact O-CE2 3.44Å; A380-Y403 PolarHBondContact O-OH 3.49Å; A380-L407 HydrophobicContact CB-CD1 4.02Å
381L98.2Very high97.6Very high21 Ų2156.7 Ų56.711%0.1130%0.296CS..Hα-helixtrans-59.9-37.1176.2-67.8169.4000112.7L377 A378 K379 R383 L407 L439 A442 V446L377-L381 HydrophobicContact CD1-CG 4.41Å; L377-L381 HydrophobicContact CG-CD1 4.24Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.41Å; A378-L381 PolarHBondContact O-N 3.17Å; K379-L381 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 3.35Å; L381-L407 HydrophobicContact CD2-CD1 3.76Å; L381-L407 HydrophobicContact CD2-CD2 4.17Å; L381-L407 HydrophobicContact CG-CD1 4.19Å; L381-L439 HydrophobicContact CD1-CD2 4.21Å; L381-A442 HydrophobicContact CD1-CB 3.89Å; L381-V446 HydrophobicContact CD2-CB 3.94Å; L381-V446 HydrophobicContact CD2-CG1 4.24Å; L381-V446 HydrophobicContact CD2-CG2 3.81Å
382C97.3Very high97.6Very high99 Ų9955.1 Ų55.167%0.66929%0.288SS*.THydrogen-bonded Turntrans-71.9-12.4-179.7-63.60000114.1A378 K379 A380 P385A378-C382 PolarHBondContact O-N 3.46Å; A378-C382 PolarHBondContact O-SG 3.37Å; K379-C382 PolarHBondContact O-N 3.4Å; A380-C382 VanDerWaalsContact C-N 3.28Å; A380-C382 PolarHBondContact O-N 2.94Å; C382-P385 WeakPolarHBondContact O-CD 3.47Å
383R97.8Very high97.6Very high147 Ų14756.6 Ų56.656%0.55529%0.292SS*.THydrogen-bonded Turntrans-82.7-14.7-177-70.5176.1-179.8173.3-0.2114.4A380 L381 P385 D386 I387 Y403A380-R383 PolarHBondContact O-N 3.01Å; A380-R383 VanDerWaalsContact O-N 3.16Å; L381-R383 PolarHBondContact O-N 3.35Å; R383-P385 VanDerWaalsContact C-CD 3.46Å; R383-P385 VanDerWaalsContact C-N 3.34Å; R383-D386 PolarHBondContact O-N 3.19Å; R383-D386 VanDerWaalsContact O-N 3.09Å; R383-I387 WeakPolarHBondContact O-CG1 3.38Å; R383-I387 PolarHBondContact O-N 3.47Å; R383-I387 VanDerWaalsContact O-N 3.17Å; R383-Y403 HydrophobicContact CB-CE2 4.1Å
384L98.3Very high97.6Very high18 Ų1856 Ų569%0.09429%0.29CS..Hα-helixtrans-50.3-48-176.1177.668.9000112.5D386 I387 L388 L400 Y403 V446 C449L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.87Å; L384-I387 PolarHBondContact O-N 2.53Å; L384-L388 HydrophobicContact CD1-CD1 4.17Å; L384-L388 HydrophobicContact CD1-CD2 4.09Å; L384-L388 HydrophobicContact CD1-CG 3.98Å; L384-L388 HydrophobicContact CG-CD1 4.08Å; L384-L388 HydrophobicContact CG-CG 4.22Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.38Å; L384-L400 HydrophobicContact CD1-CD1 4.06Å; L384-Y403 HydrophobicContact CB-CE1 4.15Å; L384-Y403 HydrophobicContact CD1-CD1 4.19Å; L384-Y403 HydrophobicContact CD1-CE1 3.74Å; L384-V446 HydrophobicContact CB-CG1 4.39Å; L384-V446 HydrophobicContact CD2-CG1 4.18Å; L384-C449 HydrophobicContact CD2-CB 4.44Å
385P98.1Very high97.6Very high73 Ų7355.8 Ų55.847%0.47429%0.289SS..Hα-helixtrans-58.5-41.5-179.8-24.335.8000113.4C382 R383 I387 L388 L389C382-P385 WeakPolarHBondContact O-CD 3.47Å; R383-P385 VanDerWaalsContact C-CD 3.46Å; R383-P385 VanDerWaalsContact C-N 3.34Å; P385-I387 VanDerWaalsContact C-N 3.33Å; P385-I387 PolarHBondContact O-N 2.77Å; P385-L388 PolarHBondContact O-N 2.87Å; P385-L389 WeakPolarHBondContact O-CB 3.28Å; P385-L389 VanDerWaalsContact O-CG 3.32Å; P385-L389 WeakPolarHBondContact O-CG 3.45Å; P385-L389 PolarHBondContact O-N 3Å
386D97.6Very high97.7Very high110 Ų11054.3 Ų54.359%0.58828%0.281SS*.Hα-helixtrans-64.2-40179.5-62.2-32000111.3R383 L384 K390R383-D386 PolarHBondContact O-N 3.19Å; R383-D386 VanDerWaalsContact O-N 3.09Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.87Å; D386-K390 WeakPolarHBondContact O-CB 3.49Å; D386-K390 PolarHBondContact O-N 3.49Å
387I98.3Very high97.7Very high37 Ų3752 Ų5219%0.1927%0.266CS..Hα-helixtrans-63.4-47.2175.5-60.4-59.3000110.4R383 L384 P385 K390 I391 L400 Y403R383-I387 WeakPolarHBondContact O-CG1 3.38Å; R383-I387 PolarHBondContact O-N 3.47Å; R383-I387 VanDerWaalsContact O-N 3.17Å; L384-I387 PolarHBondContact O-N 2.53Å; P385-I387 VanDerWaalsContact C-N 3.33Å; P385-I387 PolarHBondContact O-N 2.77Å; I387-K390 WeakPolarHBondContact O-CB 3.44Å; I387-K390 PolarHBondContact O-N 2.83Å; I387-I391 HydrophobicContact CG2-CD1 3.78Å; I387-I391 VanDerWaalsContact O-CG1 3.24Å; I387-I391 WeakPolarHBondContact O-CG1 3.27Å; I387-I391 PolarHBondContact O-N 2.97Å; I387-L400 HydrophobicContact CG2-CD1 4.48Å; I387-Y403 HydrophobicContact CG1-CD2 4.03Å; I387-Y403 HydrophobicContact CG1-CG 4.15Å
388L98.6Very high97.7Very high3 Ų354 Ų542%0.01628%0.276CS..Hα-helixtrans-65.9-40.8-179.2-60.8-173.9000112.6L27 F30 L31 L384 P385 K390 I391 Q392 L400 I453L27-L388 HydrophobicContact CD1-CB 4.12Å; L27-L388 HydrophobicContact CD1-CD2 3.88Å; L27-L388 HydrophobicContact CD1-CG 4.41Å; F30-L388 HydrophobicContact CD1-CD1 3.84Å; F30-L388 HydrophobicContact CE1-CD1 3.49Å; F30-L388 VanDerWaalsContact CE1-CD1 3.49Å; L31-L388 HydrophobicContact CD2-CB 4.36Å; L384-L388 HydrophobicContact CD1-CD1 4.17Å; L384-L388 HydrophobicContact CD1-CD2 4.09Å; L384-L388 HydrophobicContact CD1-CG 3.98Å; L384-L388 HydrophobicContact CG-CD1 4.08Å; L384-L388 HydrophobicContact CG-CG 4.22Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.38Å; P385-L388 PolarHBondContact O-N 2.87Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.95Å; L388-I391 PolarHBondContact O-N 3.34Å; L388-Q392 PolarHBondContact O-N 3.32Å; L388-L400 HydrophobicContact CD2-CD1 4.11Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; L388-I453 HydrophobicContact CD1-CD1 3.85Å; L388-I453 HydrophobicContact CD2-CD1 3.7Å; L388-I453 HydrophobicContact CG-CD1 4.44Å
389L97.2Very high97.7Very high89 Ų8954.1 Ų54.147%0.46628%0.276SS..Hα-helixtrans-65.6-36.3175.9-71.6174.8000112P385 Q392 N393P385-L389 WeakPolarHBondContact O-CB 3.28Å; P385-L389 VanDerWaalsContact O-CG 3.32Å; P385-L389 WeakPolarHBondContact O-CG 3.45Å; P385-L389 PolarHBondContact O-N 3Å; L389-Q392 PolarHBondContact O-N 3.1Å; L389-N393 PolarHBondContact O-ND2 3.19Å
390K97.9Very high97.8Very high111 Ų11148.5 Ų48.548%0.48325%0.251SS..Hα-helixtrans-61.5-49.6171.6-178.9-174.7172.2-170.20110.8D386 I387 L388 Q392 N393 D394D386-K390 WeakPolarHBondContact O-CB 3.49Å; D386-K390 PolarHBondContact O-N 3.49Å; I387-K390 WeakPolarHBondContact O-CB 3.44Å; I387-K390 PolarHBondContact O-N 2.83Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.95Å; K390-Q392 VanDerWaalsContact C-N 3.28Å; K390-Q392 PolarHBondContact O-N 3.4Å; K390-N393 WeakPolarHBondContact O-CB 3.19Å; K390-N393 PolarHBondContact O-N 3.42Å; K390-D394 PolarHBondContact O-N 2.76Å
391I98.3Very high97.8Very high0 Ų048.3 Ų48.30%025%0.25CC..Hα-helixtrans-64.1-33.5-179-61.5163.6000111.5L27 I387 L388 N393 D394 F395 L397 S399 L400L27-I391 HydrophobicContact CD2-CB 3.95Å; L27-I391 HydrophobicContact CD2-CG2 3.4Å; L27-I391 VanDerWaalsContact CD2-CG2 3.4Å; I387-I391 HydrophobicContact CG2-CD1 3.78Å; I387-I391 VanDerWaalsContact O-CG1 3.24Å; I387-I391 WeakPolarHBondContact O-CG1 3.27Å; I387-I391 PolarHBondContact O-N 2.97Å; L388-I391 PolarHBondContact O-N 3.34Å; I391-N393 PolarHBondContact O-N 2.83Å; I391-D394 WeakPolarHBondContact CA-OD1 3.2Å; I391-D394 PolarHBondContact O-N 3.48Å; I391-F395 WeakPolarHBondContact O-CA 3.44Å; I391-F395 PolarHBondContact O-N 3.37Å; I391-L397 HydrophobicContact CG2-CD2 3.95Å; I391-L397 HydrophobicContact CG2-CG 4.41Å; I391-S399 WeakPolarHBondContact CD1-OG 3.35Å; I391-S399 WeakPolarHBondContact CG1-OG 2.98Å; I391-L400 HydrophobicContact CD1-CB 3.59Å
392Q97.1Very high97.8Very high34 Ų3450.4 Ų50.416%0.15926%0.261CS..Hα-helixtrans-57.6-32.1173.2-173.2-173.3-8.700111.8L28 L31 H33 W206 L388 L389 K390L28-Q392 HydrophobicContact CD2-CG 4.12Å; L31-Q392 HydrophobicContact CD1-CB 3.87Å; L31-Q392 HydrophobicContact CD1-CG 4.06Å; H33-Q392 PolarHBondContact NE2-NE2 3.35Å; W206-Q392 HydrophobicContact CH2-CG 4.24Å; W206-Q392 VanDerWaalsContact CH2-O 3.29Å; W206-Q392 WeakPolarHBondContact CH2-O 3.47Å; W206-Q392 HydrophobicContact CZ3-CG 4.18Å; L388-Q392 PolarHBondContact O-N 3.32Å; L389-Q392 PolarHBondContact O-N 3.1Å; K390-Q392 VanDerWaalsContact C-N 3.28Å; K390-Q392 PolarHBondContact O-N 3.4Å
393N95.9Very high97.8Very high116 Ų11646.5 Ų46.562%0.6223%0.232SC*.Hα-helixtrans-81.8-40.5-177.8-66.4-45.2000113.4L389 K390 I391L389-N393 PolarHBondContact O-ND2 3.19Å; K390-N393 WeakPolarHBondContact O-CB 3.19Å; K390-N393 PolarHBondContact O-N 3.42Å; I391-N393 PolarHBondContact O-N 2.83Å
394D96.4Very high97.9Very high48 Ų4839.5 Ų39.526%0.25721%0.206SC..Hα-helixtrans-108.8-13.8-173.463.220.1000114.6R315 K390 I391 L396R315-D394 PolarHBondContact NH2-O 3.07Å; K390-D394 PolarHBondContact O-N 2.76Å; I391-D394 WeakPolarHBondContact CA-OD1 3.2Å; I391-D394 PolarHBondContact O-N 3.48Å; D394-L396 HydrophobicContact CB-CD1 4.1Å; D394-L396 HydrophobicContact CB-CG 4.03Å; D394-L396 PolarHBondContact O-N 3.42Å; D394-L396 WeakPolarHBondContact OD1-CB 3.25Å; D394-L396 PolarHBondContact OD1-N 3.13Å
395F97.8Very high97.9Very high2 Ų241.6 Ų41.61%0.00921%0.213CC..  trans51.935.8-172-60.9-71.1000113.6I24 L28 W206 L208 I242 R315 I391 L397I24-F395 HydrophobicContact CB-CD1 4.47Å; I24-F395 HydrophobicContact CD1-CB 3.99Å; I24-F395 HydrophobicContact CD1-CD1 4.1Å; I24-F395 HydrophobicContact CD1-CG 4.23Å; I24-F395 HydrophobicContact CG1-CB 4.47Å; I24-F395 HydrophobicContact CG1-CD1 4Å; I24-F395 HydrophobicContact CG2-CD1 3.73Å; I24-F395 HydrophobicContact CG2-CE1 3.67Å; L28-F395 HydrophobicContact CD1-CE1 4.16Å; L28-F395 HydrophobicContact CD1-CZ 4.43Å; L28-F395 HydrophobicContact CD2-CE1 4.12Å; L28-F395 HydrophobicContact CD2-CZ 4.49Å; L28-F395 HydrophobicContact CG-CE1 4.28Å; W206-F395 HydrophobicContact CD2-CZ 4.48Å; W206-F395 AromaticContact CE2-CE2 3.89Å; W206-F395 AromaticContact CE2-CZ 3.81Å; W206-F395 HydrophobicContact CH2-CE1 4.39Å; W206-F395 AromaticContact CH2-CE2 3.79Å; W206-F395 HydrophobicContact CH2-CE2 3.79Å; W206-F395 AromaticContact CH2-CZ 3.38Å; W206-F395 HydrophobicContact CH2-CZ 3.38Å; W206-F395 AromaticContact CZ2-CE2 3.26Å; W206-F395 HydrophobicContact CZ2-CE2 3.26Å; W206-F395 AromaticContact CZ2-CZ 3.27Å; W206-F395 HydrophobicContact CZ2-CZ 3.27Å; W206-F395 HydrophobicContact CZ3-CZ 4.02Å; L208-F395 HydrophobicContact CD1-CE1 3.97Å; L208-F395 HydrophobicContact CD1-CE2 4.09Å; L208-F395 HydrophobicContact CD1-CZ 3.57Å; L208-F395 HydrophobicContact CD2-CE2 3.76Å; L208-F395 HydrophobicContact CD2-CZ 4.02Å; L208-F395 HydrophobicContact CG-CZ 4.44Å; I242-F395 HydrophobicContact CD1-CB 4.18Å; I242-F395 HydrophobicContact CD1-CD2 3.42Å; I242-F395 VanDerWaalsContact CD1-CD2 3.42Å; I242-F395 HydrophobicContact CD1-CE2 4Å; I242-F395 HydrophobicContact CD1-CG 4.02Å; I242-F395 HydrophobicContact CG1-CD2 4.5Å; R315-F395 PolarHBondContact NE-O 3.47Å; I391-F395 WeakPolarHBondContact O-CA 3.44Å; I391-F395 PolarHBondContact O-N 3.37Å; F395-L397 PolarHBondContact O-N 3.49Å
396L97.7Very high97.9Very high41 Ų4142.6 Ų42.622%0.21522%0.215CC..  trans-95.581.6176.9-67.3179.1000110.8R315 D394 H398 S399R315-L396 HydrophobicContact CG-CD2 4.19Å; D394-L396 HydrophobicContact CB-CD1 4.1Å; D394-L396 HydrophobicContact CB-CG 4.03Å; D394-L396 PolarHBondContact O-N 3.42Å; D394-L396 WeakPolarHBondContact OD1-CB 3.25Å; D394-L396 PolarHBondContact OD1-N 3.13Å; L396-H398 PolarHBondContact O-N 2.83Å; L396-H398 VanDerWaalsContact O-N 3.16Å; L396-S399 PolarHBondContact O-N 2.97Å; L396-S399 PolarHBondContact O-OG 3.01Å
397L98.4Very high97.9Very high8 Ų837.4 Ų37.44%0.04219%0.187CC..THydrogen-bonded Turntrans-60.3-24.1-175.2-71.7165.3000114.9I20 S23 I24 L311 I391 F395 S399 L400 C401I20-L397 HydrophobicContact CG2-CD1 4.49Å; S23-L397 WeakPolarHBondContact OG-CD1 3.37Å; S23-L397 WeakPolarHBondContact OG-CD2 3.44Å; I24-L397 HydrophobicContact CG1-CD1 4.02Å; L311-L397 HydrophobicContact CD2-CB 4.21Å; L311-L397 HydrophobicContact CD2-CD1 3.59Å; I391-L397 HydrophobicContact CG2-CD2 3.95Å; I391-L397 HydrophobicContact CG2-CG 4.41Å; F395-L397 PolarHBondContact O-N 3.49Å; L397-S399 PolarHBondContact O-N 3.14Å; L397-S399 VanDerWaalsContact O-N 3.12Å; L397-L400 WeakPolarHBondContact O-CB 3.09Å; L397-L400 PolarHBondContact O-N 3.02Å; L397-C401 PolarHBondContact O-N 3.27Å
398H97.9Very high97.9Very high44 Ų4435.7 Ų35.720%0.20418%0.178CC..Hα-helixtrans-57.2-28.7177.167.1-87.4000113.1L311 L396 L400 C401 D402L311-H398 WeakPolarHBondContact O-CA 3.31Å; L311-H398 WeakPolarHBondContact O-CB 3.18Å; L311-H398 PolarHBondContact O-N 2.88Å; L311-H398 VanDerWaalsContact O-N 3.16Å; L396-H398 PolarHBondContact O-N 2.83Å; L396-H398 VanDerWaalsContact O-N 3.16Å; H398-L400 VanDerWaalsContact C-N 3.26Å; H398-L400 PolarHBondContact O-N 3.47Å; H398-C401 WeakPolarHBondContact O-CA 3.46Å; H398-C401 VanDerWaalsContact O-CB 3.3Å; H398-C401 WeakPolarHBondContact O-CB 3.38Å; H398-C401 PolarHBondContact O-N 3.13Å; H398-C401 VanDerWaalsContact O-N 3.07Å; H398-D402 IonicContact CD2-OD2 2.9Å; H398-D402 PolarHBondContact O-N 3.38Å
399S97.6Very high97.8Very high13 Ų1337.3 Ų37.39%0.09119%0.189CC..Hα-helixtrans-66.6-25.8176.260.90000113.6I391 L396 L397 Y403I391-S399 WeakPolarHBondContact CD1-OG 3.35Å; I391-S399 WeakPolarHBondContact CG1-OG 2.98Å; L396-S399 PolarHBondContact O-N 2.97Å; L396-S399 PolarHBondContact O-OG 3.01Å; L397-S399 PolarHBondContact O-N 3.14Å; L397-S399 VanDerWaalsContact O-N 3.12Å; S399-Y403 WeakPolarHBondContact O-CB 3.4Å; S399-Y403 PolarHBondContact O-N 2.73Å; S399-Y403 VanDerWaalsContact O-N 3.12Å
400L98.7Very high97.8Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-73.9-38.6169.7-179.358.4000111L384 I387 L388 I391 L397 H398 Y403 L404 I453 L454L384-L400 HydrophobicContact CD1-CD1 4.06Å; I387-L400 HydrophobicContact CG2-CD1 4.48Å; L388-L400 HydrophobicContact CD2-CD1 4.11Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; I391-L400 HydrophobicContact CD1-CB 3.59Å; L397-L400 WeakPolarHBondContact O-CB 3.09Å; L397-L400 PolarHBondContact O-N 3.02Å; H398-L400 VanDerWaalsContact C-N 3.26Å; H398-L400 PolarHBondContact O-N 3.47Å; L400-Y403 HydrophobicContact CD1-CD1 4.1Å; L400-Y403 PolarHBondContact O-N 2.85Å; L400-L404 HydrophobicContact CD1-CG 4.33Å; L400-L404 HydrophobicContact CG-CD1 4.33Å; L400-L404 VanDerWaalsContact O-CG 3.3Å; L400-L404 WeakPolarHBondContact O-CG 3.21Å; L400-L404 PolarHBondContact O-N 3.24Å; L400-I453 HydrophobicContact CD2-CB 3.98Å; L400-I453 HydrophobicContact CD2-CD1 4.49Å; L400-I453 HydrophobicContact CD2-CG2 3.69Å; L400-L454 HydrophobicContact CD2-CD1 4.49Å; L400-L454 HydrophobicContact CD2-CD2 3.98Å; L400-L454 HydrophobicContact CD2-CG 3.93Å; L400-L454 HydrophobicContact CG-CD1 4.45Å; L400-L454 HydrophobicContact CG-CD2 4.42Å; L400-L454 HydrophobicContact CG-CG 4.4Å
401C98.5Very high97.8Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-60.5-49.6174.6-63.70000111.1Y308 L397 H398 Y403 L404 Y405Y308-C401 HydrophobicContact CE2-CB 3.72Å; Y308-C401 VanDerWaalsContact CE2-SG 3.54Å; Y308-C401 WeakPolarHBondContact OH-CA 3.36Å; Y308-C401 WeakPolarHBondContact OH-CB 3.35Å; Y308-C401 PolarHBondContact OH-O 3.37Å; Y308-C401 VanDerWaalsContact OH-O 3.06Å; L397-C401 PolarHBondContact O-N 3.27Å; H398-C401 WeakPolarHBondContact O-CA 3.46Å; H398-C401 VanDerWaalsContact O-CB 3.3Å; H398-C401 WeakPolarHBondContact O-CB 3.38Å; H398-C401 PolarHBondContact O-N 3.13Å; H398-C401 VanDerWaalsContact O-N 3.07Å; C401-Y403 VanDerWaalsContact C-N 3.32Å; C401-Y403 PolarHBondContact O-N 2.89Å; C401-L404 PolarHBondContact O-N 3.03Å; C401-Y405 PolarHBondContact O-N 3.01Å
402D98Very high97.8Very high66 Ų6631.7 Ų31.735%0.35317%0.166SC..Hα-helixtrans-58.3-44.6176.3-65.8-26.9000111.3N332 H398 L404 Y405 D406N332-D402 PolarHBondContact ND2-OD1 3.29Å; H398-D402 IonicContact CD2-OD2 2.9Å; H398-D402 PolarHBondContact O-N 3.38Å; D402-L404 PolarHBondContact O-N 3.34Å; D402-Y405 PolarHBondContact O-N 3.31Å; D402-D406 PolarHBondContact O-N 2.91Å
403Y98.5Very high97.8Very high16 Ų1634 Ų346%0.06318%0.179CC..Hα-helixtrans-58.6-46.3175.6169.7-102.3000113.1A380 R383 L384 I387 S399 L400 C401 Y405 D406 L407 V446A380-Y403 VanDerWaalsContact O-CE2 3.29Å; A380-Y403 WeakPolarHBondContact O-CE2 3.44Å; A380-Y403 PolarHBondContact O-OH 3.49Å; R383-Y403 HydrophobicContact CB-CE2 4.1Å; L384-Y403 HydrophobicContact CB-CE1 4.15Å; L384-Y403 HydrophobicContact CD1-CD1 4.19Å; L384-Y403 HydrophobicContact CD1-CE1 3.74Å; I387-Y403 HydrophobicContact CG1-CD2 4.03Å; I387-Y403 HydrophobicContact CG1-CG 4.15Å; S399-Y403 WeakPolarHBondContact O-CB 3.4Å; S399-Y403 PolarHBondContact O-N 2.73Å; S399-Y403 VanDerWaalsContact O-N 3.12Å; L400-Y403 HydrophobicContact CD1-CD1 4.1Å; L400-Y403 PolarHBondContact O-N 2.85Å; C401-Y403 VanDerWaalsContact C-N 3.32Å; C401-Y403 PolarHBondContact O-N 2.89Å; Y403-Y405 VanDerWaalsContact C-N 3.31Å; Y403-Y405 PolarHBondContact O-N 3.16Å; Y403-D406 PolarHBondContact O-N 3.17Å; Y403-L407 HydrophobicContact CE1-CD2 4.26Å; Y403-L407 VanDerWaalsContact O-CB 3.27Å; Y403-L407 WeakPolarHBondContact O-CB 3.23Å; Y403-L407 PolarHBondContact O-N 3.02Å; Y403-V446 HydrophobicContact CE1-CG1 3.86Å; Y403-V446 WeakPolarHBondContact OH-CG1 3.4Å
404L98.6Very high97.9Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-65.5-37.4179.8-71.6174.9000111.8L337 L400 C401 D402 S408 M447 F451 L454L337-L404 HydrophobicContact CD1-CB 4.18Å; L400-L404 HydrophobicContact CD1-CG 4.33Å; L400-L404 HydrophobicContact CG-CD1 4.33Å; L400-L404 VanDerWaalsContact O-CG 3.3Å; L400-L404 WeakPolarHBondContact O-CG 3.21Å; L400-L404 PolarHBondContact O-N 3.24Å; C401-L404 PolarHBondContact O-N 3.03Å; D402-L404 PolarHBondContact O-N 3.34Å; L404-S408 PolarHBondContact O-N 3.39Å; L404-S408 VanDerWaalsContact O-N 3.07Å; L404-S408 PolarHBondContact O-OG 2.92Å; L404-M447 HydrophobicContact CD2-CG 4.38Å; L404-F451 HydrophobicContact CD1-CD1 4.13Å; L404-F451 HydrophobicContact CD1-CE1 4.23Å; L404-L454 HydrophobicContact CD1-CD1 3.64Å
405Y98.1Very high97.9Very high62 Ų6229.9 Ų29.924%0.24315%0.152CC..Hα-helixtrans-64.6-50.8174.3-175.8-106.2000111.9G331 N332 Y336 C401 D402 Y403 L407 S408 C409G331-Y405 VanDerWaalsContact O-CE2 3.3Å; G331-Y405 WeakPolarHBondContact O-CE2 3.48Å; N332-Y405 HydrophobicContact CB-CD1 4.29Å; N332-Y405 HydrophobicContact CB-CD2 3.9Å; N332-Y405 HydrophobicContact CB-CE1 4.48Å; N332-Y405 HydrophobicContact CB-CE2 4.11Å; N332-Y405 HydrophobicContact CB-CG 3.98Å; Y336-Y405 AromaticContact CD1-CD2 3.82Å; Y336-Y405 HydrophobicContact CD1-CD2 3.82Å; Y336-Y405 AromaticContact CD1-CE2 3.66Å; Y336-Y405 HydrophobicContact CD1-CE2 3.66Å; Y336-Y405 AromaticContact CE1-CD2 3.72Å; Y336-Y405 HydrophobicContact CE1-CD2 3.72Å; Y336-Y405 AromaticContact CE1-CE2 3.48Å; Y336-Y405 HydrophobicContact CE1-CE2 3.48Å; Y336-Y405 VanDerWaalsContact CE1-CE2 3.48Å; C401-Y405 PolarHBondContact O-N 3.01Å; D402-Y405 PolarHBondContact O-N 3.31Å; Y403-Y405 VanDerWaalsContact C-N 3.31Å; Y403-Y405 PolarHBondContact O-N 3.16Å; Y405-L407 VanDerWaalsContact C-N 3.3Å; Y405-L407 PolarHBondContact O-N 2.97Å; Y405-S408 PolarHBondContact O-N 3.05Å; Y405-S408 VanDerWaalsContact O-N 3.1Å; Y405-S408 PolarHBondContact O-OG 3.06Å; Y405-C409 PolarHBondContact O-N 3.47Å; Y405-C409 PolarHBondContact O-SG 3.19Å
406D98Very high97.9Very high95 Ų9535.1 Ų35.151%0.50818%0.18SC..Hα-helixtrans-59.8-41.9177.3-72.3-14000111.5D402 Y403 S408 C409 D410D402-D406 PolarHBondContact O-N 2.91Å; Y403-D406 PolarHBondContact O-N 3.17Å; D406-S408 VanDerWaalsContact C-N 3.3Å; D406-S408 PolarHBondContact O-N 3.34Å; D406-C409 WeakPolarHBondContact O-CB 3.35Å; D406-C409 PolarHBondContact O-N 3.18Å; D406-D410 PolarHBondContact O-N 3.45Å
407L98.4Very high97.8Very high1 Ų135.7 Ų35.71%0.00519%0.19CC..Hα-helixtrans-60.1-39.4176-179.963.5000112.2L377 A380 L381 Y403 Y405 D410 F411 T443 V446 M447L377-L407 HydrophobicContact CD1-CD1 3.69Å; A380-L407 HydrophobicContact CB-CD1 4.02Å; L381-L407 HydrophobicContact CD2-CD1 3.76Å; L381-L407 HydrophobicContact CD2-CD2 4.17Å; L381-L407 HydrophobicContact CG-CD1 4.19Å; Y403-L407 HydrophobicContact CE1-CD2 4.26Å; Y403-L407 VanDerWaalsContact O-CB 3.27Å; Y403-L407 WeakPolarHBondContact O-CB 3.23Å; Y403-L407 PolarHBondContact O-N 3.02Å; Y405-L407 VanDerWaalsContact C-N 3.3Å; Y405-L407 PolarHBondContact O-N 2.97Å; L407-D410 PolarHBondContact O-N 3.12Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 3.25Å; L407-T443 HydrophobicContact CD1-CG2 4.36Å; L407-T443 HydrophobicContact CD2-CG2 4.28Å; L407-T443 HydrophobicContact CG-CG2 4.13Å; L407-V446 HydrophobicContact CD2-CB 4.22Å; L407-V446 HydrophobicContact CD2-CG1 3.49Å; L407-V446 VanDerWaalsContact CD2-CG1 3.49Å; L407-M447 HydrophobicContact CD2-CG 3.93Å
408S97.5Very high97.7Very high1 Ų135.4 Ų35.41%0.00719%0.189CC..Hα-helixtrans-70.4-33.6177.571.30000113Y336 L404 Y405 D406 T412Y336-S408 WeakPolarHBondContact CE1-OG 3.47Å; L404-S408 PolarHBondContact O-N 3.39Å; L404-S408 VanDerWaalsContact O-N 3.07Å; L404-S408 PolarHBondContact O-OG 2.92Å; Y405-S408 PolarHBondContact O-N 3.05Å; Y405-S408 VanDerWaalsContact O-N 3.1Å; Y405-S408 PolarHBondContact O-OG 3.06Å; D406-S408 VanDerWaalsContact C-N 3.3Å; D406-S408 PolarHBondContact O-N 3.34Å; S408-T412 PolarHBondContact O-N 3.42Å; S408-T412 PolarHBondContact O-OG1 3.21Å
409C97Very high97.5Very high36 Ų3641 Ų4124%0.24321%0.21CC..Hα-helixtrans-65.7-47.8171.3-69.10000111.1Y405 D406 F411 T412 N413Y405-C409 PolarHBondContact O-N 3.47Å; Y405-C409 PolarHBondContact O-SG 3.19Å; D406-C409 WeakPolarHBondContact O-CB 3.35Å; D406-C409 PolarHBondContact O-N 3.18Å; C409-F411 VanDerWaalsContact C-N 3.3Å; C409-F411 PolarHBondContact O-N 3.1Å; C409-T412 WeakPolarHBondContact O-CB 3.37Å; C409-T412 PolarHBondContact O-N 3.3Å; C409-T412 VanDerWaalsContact O-N 3.13Å; C409-N413 PolarHBondContact O-N 3.01Å; C409-N413 PolarHBondContact O-ND2 3.27Å
410D97.9Very high97.4Very high41 Ų4140.5 Ų40.522%0.21921%0.206CC..Hα-helixtrans-60.1-40.8176.4-77.9-16.9000111.4L377 D406 L407 N413 F414L377-D410 HydrophobicContact CD1-CB 4.35Å; D406-D410 PolarHBondContact O-N 3.45Å; L407-D410 PolarHBondContact O-N 3.12Å; D410-N413 PolarHBondContact O-N 2.89Å; D410-F414 WeakPolarHBondContact O-CB 3.31Å; D410-F414 PolarHBondContact O-N 2.9Å
411F98.3Very high97.2Very high6 Ų642.2 Ų42.23%0.02622%0.215CC..Hα-helixtrans-62-43.1174-178.5-91000112.1I344 I347 L377 L407 C409 F414 Y415 C440 T443I344-F411 HydrophobicContact CB-CE1 4.48Å; I344-F411 HydrophobicContact CB-CZ 4.3Å; I344-F411 HydrophobicContact CD1-CD1 3.98Å; I344-F411 HydrophobicContact CD1-CD2 4.25Å; I344-F411 HydrophobicContact CD1-CE1 4.22Å; I344-F411 HydrophobicContact CD1-CE2 4.45Å; I344-F411 HydrophobicContact CD1-CG 4.02Å; I344-F411 HydrophobicContact CD1-CZ 4.45Å; I344-F411 HydrophobicContact CG1-CD1 3.63Å; I344-F411 HydrophobicContact CG1-CD2 4.15Å; I344-F411 HydrophobicContact CG1-CE1 3.36Å; I344-F411 HydrophobicContact CG1-CE2 3.89Å; I344-F411 HydrophobicContact CG1-CG 4.04Å; I344-F411 HydrophobicContact CG1-CZ 3.5Å; I344-F411 HydrophobicContact CG2-CE2 4.35Å; I344-F411 HydrophobicContact CG2-CZ 4.3Å; I347-F411 HydrophobicContact CD1-CE1 4.04Å; I347-F411 HydrophobicContact CD1-CZ 3.84Å; L377-F411 HydrophobicContact CD1-CB 4.35Å; L377-F411 HydrophobicContact CD2-CD2 4.02Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 3.25Å; C409-F411 VanDerWaalsContact C-N 3.3Å; C409-F411 PolarHBondContact O-N 3.1Å; F411-F414 HydrophobicContact CD2-CD1 4.01Å; F411-F414 HydrophobicContact CD2-CE1 4.47Å; F411-F414 AromaticContact CE2-CD1 3.91Å; F411-F414 HydrophobicContact CE2-CD1 3.91Å; F411-F414 AromaticContact CE2-CE1 3.97Å; F411-F414 HydrophobicContact CE2-CE1 3.97Å; F411-F414 WeakPolarHBondContact O-CB 3.48Å; F411-F414 PolarHBondContact O-N 3.47Å; F411-Y415 HydrophobicContact CE1-CG 4.45Å; F411-Y415 HydrophobicContact CZ-CD2 4.42Å; F411-Y415 WeakPolarHBondContact O-CB 3.36Å; F411-Y415 PolarHBondContact O-N 3.36Å; F411-C440 HydrophobicContact CE2-CB 4.29Å; F411-T443 HydrophobicContact CB-CG2 4.19Å; F411-T443 HydrophobicContact CD2-CG2 3.88Å; F411-T443 HydrophobicContact CG-CG2 4.22Å
412T97.1Very high96.8Very high35 Ų3545.4 Ų45.422%0.21523%0.23CC..Hα-helixtrans-61.1-47.2178.4-59.10000110.7S408 C409 F414 Y415 D416S408-T412 PolarHBondContact O-N 3.42Å; S408-T412 PolarHBondContact O-OG1 3.21Å; C409-T412 WeakPolarHBondContact O-CB 3.37Å; C409-T412 PolarHBondContact O-N 3.3Å; C409-T412 VanDerWaalsContact O-N 3.13Å; T412-F414 VanDerWaalsContact C-N 3.32Å; T412-F414 PolarHBondContact O-N 3.18Å; T412-Y415 PolarHBondContact O-N 2.88Å; T412-D416 WeakPolarHBondContact O-CB 3.3Å; T412-D416 VanDerWaalsContact O-CG 3.31Å; T412-D416 PolarHBondContact O-N 2.94Å
413N97.4Very high96.4Very high83 Ų8350.8 Ų50.844%0.44425%0.245SC..Hα-helixtrans-61.5-39.7176.7-67.2-31.7000112.5M373 C409 D410 A417M373-N413 HydrophobicContact SD-CB 3.96Å; C409-N413 PolarHBondContact O-N 3.01Å; C409-N413 PolarHBondContact O-ND2 3.27Å; D410-N413 PolarHBondContact O-N 2.89Å; N413-A417 VanDerWaalsContact O-CB 3.32Å; N413-A417 WeakPolarHBondContact O-CB 3.48Å; N413-A417 PolarHBondContact O-N 2.9Å
414F98Very high95.8Very high0 Ų053.7 Ų53.70%026%0.261CS..Hα-helixtrans-61.5-51.2172.6156.2-104.2000111.7M373 E374 L377 D410 F411 T412 D416 A417 C418 R436 L439M373-F414 HydrophobicContact CB-CB 4.31Å; E374-F414 HydrophobicContact CG-CD2 3.93Å; E374-F414 HydrophobicContact CG-CE2 3.78Å; L377-F414 HydrophobicContact CB-CB 4.48Å; L377-F414 HydrophobicContact CD2-CB 4.01Å; L377-F414 HydrophobicContact CD2-CD1 3.58Å; L377-F414 HydrophobicContact CD2-CD2 4.43Å; L377-F414 HydrophobicContact CD2-CE1 4.14Å; L377-F414 HydrophobicContact CD2-CG 3.73Å; D410-F414 WeakPolarHBondContact O-CB 3.31Å; D410-F414 PolarHBondContact O-N 2.9Å; F411-F414 HydrophobicContact CD2-CD1 4.01Å; F411-F414 HydrophobicContact CD2-CE1 4.47Å; F411-F414 AromaticContact CE2-CD1 3.91Å; F411-F414 HydrophobicContact CE2-CD1 3.91Å; F411-F414 AromaticContact CE2-CE1 3.97Å; F411-F414 HydrophobicContact CE2-CE1 3.97Å; F411-F414 WeakPolarHBondContact O-CB 3.48Å; F411-F414 PolarHBondContact O-N 3.47Å; T412-F414 VanDerWaalsContact C-N 3.32Å; T412-F414 PolarHBondContact O-N 3.18Å; F414-D416 VanDerWaalsContact C-N 3.31Å; F414-D416 PolarHBondContact O-N 3.04Å; F414-A417 PolarHBondContact O-N 3.36Å; F414-C418 HydrophobicContact CD2-CB 3.77Å; F414-C418 HydrophobicContact CE2-CB 3.65Å; F414-C418 WeakPolarHBondContact O-CA 3.43Å; F414-C418 VanDerWaalsContact O-CB 3.22Å; F414-C418 WeakPolarHBondContact O-CB 3.48Å; F414-C418 PolarHBondContact O-N 3.1Å; F414-R436 HydrophobicContact CE2-CB 4.44Å; F414-R436 HydrophobicContact CE2-CG 4.01Å; F414-R436 HydrophobicContact CZ-CB 3.87Å; F414-R436 HydrophobicContact CZ-CG 3.95Å; F414-L439 HydrophobicContact CE2-CD1 4.05Å; F414-L439 HydrophobicContact CZ-CB 4.32Å; F414-L439 HydrophobicContact CZ-CD1 4.23Å
415Y97.1Very high95.1Very high78 Ų7863.1 Ų63.131%0.30631%0.306SS..Hα-helixtrans-65.2-35.3-175.5-175-98.9000112.6I347 F411 T412 C420I347-Y415 HydrophobicContact CB-CE2 4.47Å; I347-Y415 HydrophobicContact CD1-CD2 3.41Å; I347-Y415 VanDerWaalsContact CD1-CD2 3.41Å; I347-Y415 HydrophobicContact CD1-CE1 4.4Å; I347-Y415 HydrophobicContact CD1-CE2 3.18Å; I347-Y415 HydrophobicContact CD1-CG 4.11Å; I347-Y415 HydrophobicContact CG1-CD2 4.28Å; I347-Y415 HydrophobicContact CG1-CE2 3.55Å; I347-Y415 HydrophobicContact CG2-CE2 4.06Å; F411-Y415 HydrophobicContact CE1-CG 4.45Å; F411-Y415 HydrophobicContact CZ-CD2 4.42Å; F411-Y415 WeakPolarHBondContact O-CB 3.36Å; F411-Y415 PolarHBondContact O-N 3.36Å; T412-Y415 PolarHBondContact O-N 2.88Å; Y415-C420 HydrophobicContact CE2-CB 4.32Å
416D96.5Very high94.4Very high112 Ų11268.9 Ų68.960%0.59934%0.335SS*.Hα-helixtrans-73.1-30.3178.5-68.9-11.4000112.2R343 T412 F414R343-D416 IonicContact NH2-OD1 3.63Å; T412-D416 WeakPolarHBondContact O-CB 3.3Å; T412-D416 VanDerWaalsContact O-CG 3.31Å; T412-D416 PolarHBondContact O-N 2.94Å; F414-D416 VanDerWaalsContact C-N 3.31Å; F414-D416 PolarHBondContact O-N 3.04Å
417A96.4Very high93.8Very high52 Ų5268.2 Ų68.243%0.4333%0.334SS..Hα-helixtrans-94.6-21.5-178.900000114.3M373 N413 F414M373-A417 HydrophobicContact CG-CB 4.02Å; N413-A417 VanDerWaalsContact O-CB 3.32Å; N413-A417 WeakPolarHBondContact O-CB 3.48Å; N413-A417 PolarHBondContact O-N 2.9Å; F414-A417 PolarHBondContact O-N 3.36Å
418C95.6Very high93.1Very high2 Ų270.8 Ų70.81%0.01436%0.361CS..SBendtrans-130.1104.5-169.6-60.60000110.9H371 F414 C420H371-C418 PolarHBondContact ND1-SG 3.48Å; F414-C418 HydrophobicContact CD2-CB 3.77Å; F414-C418 HydrophobicContact CE2-CB 3.65Å; F414-C418 WeakPolarHBondContact O-CA 3.43Å; F414-C418 VanDerWaalsContact O-CB 3.22Å; F414-C418 WeakPolarHBondContact O-CB 3.48Å; F414-C418 PolarHBondContact O-N 3.1Å; C418-C420 PolarHBondContact O-N 2.65Å; C418-C420 VanDerWaalsContact O-N 3.14Å
419Y94.3Very high92.6Very high163 Ų16375.9 Ų75.964%0.63939%0.388SS*.  trans-59.5120179.3-71-77.5000111.7E422 N433 R436Y419-E422 HydrophobicContact CD1-CG 4.36Å; Y419-E422 HydrophobicContact CD2-CG 4.44Å; Y419-E422 HydrophobicContact CG-CG 3.84Å; Y419-N433 PolarHBondContact O-ND2 3.22Å; Y419-R436 WeakPolarHBondContact O-CD 3.32Å; Y419-R436 PolarHBondContact O-NH1 3.34Å
420C94.8Very high92.2Very high2 Ų277.8 Ų77.81%0.01440%0.398CS..SBendtrans-83.5-37172-65.60000111.8I347 Y415 C418 N433 R436 I437I347-C420 HydrophobicContact CG2-CB 4.04Å; Y415-C420 HydrophobicContact CE2-CB 4.32Å; C418-C420 PolarHBondContact O-N 2.65Å; C418-C420 VanDerWaalsContact O-N 3.14Å; C420-N433 PolarHBondContact O-N 2.93Å; C420-R436 HydrophobicContact CB-CB 4.49Å; C420-I437 HydrophobicContact CB-CD1 3.96Å
421I94.1Very high91.9Very high35 Ų3581.4 Ų81.418%0.17941%0.414CS..EExtended strand (participates in β ladder)trans-132.8116.9179-55.1173.6000106.8N350 A351 V430 Q431N350-I421 HydrophobicContact CB-CD1 3.94Å; A351-I421 HydrophobicContact CB-CD1 3.94Å; A351-I421 HydrophobicContact CB-CG1 4.31Å; I421-V430 HydrophobicContact CG2-CG1 3.43Å; I421-V430 VanDerWaalsContact CG2-CG1 3.43Å; I421-Q431 WeakPolarHBondContact CA-O 3.43Å
422E91.8Very high91.6Very high68 Ų6883.2 Ų83.232%0.31842%0.424SS..EExtended strand (participates in β ladder)trans-103.8126.9177.3-66.8175.9-13600108.4Y419 V430 Q431 N433Y419-E422 HydrophobicContact CD1-CG 4.36Å; Y419-E422 HydrophobicContact CD2-CG 4.44Å; Y419-E422 HydrophobicContact CG-CG 3.84Å; E422-V430 CarbonylContact O-C 3.55Å; E422-V430 WeakPolarHBondContact O-CA 3.27Å; E422-Q431 HydrophobicContact CB-CB 4.29Å; E422-Q431 PolarHBondContact N-O 3.12Å; E422-Q431 PolarHBondContact O-N 3.03Å; E422-N433 PolarHBondContact OE1-ND2 2.71Å
423R88.9Confident91.4Very high179 Ų17982.4 Ų82.468%0.67542%0.418SS*.EExtended strand (participates in β ladder)trans-111.2118.8174.3-63.2-168.8176.8-179.1-1.3108.5Q425 D429 V430R423-Q425 PolarHBondContact O-N 3.3Å; R423-D429 WeakPolarHBondContact CA-O 3.43Å; R423-V430 HydrophobicContact CG-CG1 4.36Å; R423-V430 HydrophobicContact CG-CG2 4.11Å
424N85.3Confident91.2Very high76 Ų7683 Ų8341%0.40642%0.417SS..  trans-69.5117.6171.5-173.9-37.1000108.6E426 T427 G428 D429N424-E426 VanDerWaalsContact C-N 3.25Å; N424-E426 PolarHBondContact O-N 3.48Å; N424-E426 WeakPolarHBondContact OD1-CB 3.48Å; N424-E426 PolarHBondContact OD1-N 3.43Å; N424-T427 WeakPolarHBondContact CB-OG1 3.5Å; N424-T427 VanDerWaalsContact CG-OG1 3.32Å; N424-T427 PolarHBondContact OD1-N 3.01Å; N424-G428 VanDerWaalsContact O-CA 3.31Å; N424-G428 WeakPolarHBondContact O-CA 3.47Å; N424-G428 PolarHBondContact O-N 3.04Å; N424-D429 HydrophobicContact CB-CB 4.46Å; N424-D429 PolarHBondContact N-O 2.9Å
425Q83.6Confident90.9Very high198 Ų19885.5 Ų85.593%0.92543%0.428SS*.THydrogen-bonded Turntrans-67.4-25.1-177.3-68.4-173.4-2.800113.2R423R423-Q425 PolarHBondContact O-N 3.3Å
426E84.6Confident90.8Very high183 Ų18383.8 Ų83.886%0.85542%0.421SS*.THydrogen-bonded Turntrans-86.5-43-178.5-62.1-176.7169.100112.1N424N424-E426 VanDerWaalsContact C-N 3.25Å; N424-E426 PolarHBondContact O-N 3.48Å; N424-E426 WeakPolarHBondContact OD1-CB 3.48Å; N424-E426 PolarHBondContact OD1-N 3.43Å
427T85.2Confident90.7Very high81 Ų8178.5 Ų78.550%0.49739%0.393SS..THydrogen-bonded Turntrans-97.4-20.5-174.6690000113.8N424 D429N424-T427 WeakPolarHBondContact CB-OG1 3.5Å; N424-T427 VanDerWaalsContact CG-OG1 3.32Å; N424-T427 PolarHBondContact OD1-N 3.01Å; T427-D429 VanDerWaalsContact CB-OD2 3.29Å; T427-D429 WeakPolarHBondContact CB-OD2 3.41Å; T427-D429 PolarHBondContact O-N 3.35Å; T427-D429 WeakPolarHBondContact OG1-CB 3.41Å; T427-D429 PolarHBondContact OG1-N 3.26Å; T427-D429 PolarHBondContact OG1-OD2 3.39Å
428G84.6Confident90.6Very high55 Ų5576.7 Ų76.757%0.56738%0.377SS*.  trans76.10.9-170.600000114N424N424-G428 VanDerWaalsContact O-CA 3.31Å; N424-G428 WeakPolarHBondContact O-CA 3.47Å; N424-G428 PolarHBondContact O-N 3.04Å
429D86.3Confident90.6Very high108 Ų10877 Ų7758%0.57838%0.378SS*.  trans-64.5139178.2-66.9-44.9000110.9R423 N424 T427R423-D429 WeakPolarHBondContact CA-O 3.43Å; N424-D429 HydrophobicContact CB-CB 4.46Å; N424-D429 PolarHBondContact N-O 2.9Å; T427-D429 VanDerWaalsContact CB-OD2 3.29Å; T427-D429 WeakPolarHBondContact CB-OD2 3.41Å; T427-D429 PolarHBondContact O-N 3.35Å; T427-D429 WeakPolarHBondContact OG1-CB 3.41Å; T427-D429 PolarHBondContact OG1-N 3.26Å; T427-D429 PolarHBondContact OG1-OD2 3.39Å
430V88.1Confident90.7Very high76 Ų7669.2 Ų69.246%0.46135%0.348SS..EExtended strand (participates in β ladder)trans-111113.9179.2-172.90000109.1I421 E422 R423 I432I421-V430 HydrophobicContact CG2-CG1 3.43Å; I421-V430 VanDerWaalsContact CG2-CG1 3.43Å; E422-V430 CarbonylContact O-C 3.55Å; E422-V430 WeakPolarHBondContact O-CA 3.27Å; R423-V430 HydrophobicContact CG-CG1 4.36Å; R423-V430 HydrophobicContact CG-CG2 4.11Å; V430-I432 HydrophobicContact CG1-CG1 4.17Å
431Q91.8Very high90.8Very high117 Ų11769.5 Ų69.555%0.54735%0.349SS..EExtended strand (participates in β ladder)trans-96.1131170.3177.5174.8-1800109.4I421 E422I421-Q431 WeakPolarHBondContact CA-O 3.43Å; E422-Q431 HydrophobicContact CB-CB 4.29Å; E422-Q431 PolarHBondContact N-O 3.12Å; E422-Q431 PolarHBondContact O-N 3.03Å
432I91.6Very high90.9Very high45 Ų4569.5 Ų69.523%0.23135%0.354CS..EExtended strand (participates in β ladder)trans-116.5120.3-179.7-58.4170.1000108.8A351 Y353 V430 K434 I437A351-I432 HydrophobicContact CB-CD1 4.27Å; A351-I432 HydrophobicContact CB-CG2 4.08Å; A351-I432 VanDerWaalsContact O-CD1 3.25Å; A351-I432 WeakPolarHBondContact O-CD1 3.27Å; Y353-I432 HydrophobicContact CE2-CG2 3.58Å; V430-I432 HydrophobicContact CG1-CG1 4.17Å; I432-K434 PolarHBondContact O-N 3.46Å; I432-I437 HydrophobicContact CG2-CD1 4.36Å; I432-I437 HydrophobicContact CG2-CG1 3.7Å
433N93.1Very high91.1Very high18 Ų1866.2 Ų66.210%0.09634%0.339CS..  trans-82.499.8177.9-68.3-46.6000108.9Y419 C420 E422 E435 R436 I437Y419-N433 PolarHBondContact O-ND2 3.22Å; C420-N433 PolarHBondContact O-N 2.93Å; E422-N433 PolarHBondContact OE1-ND2 2.71Å; N433-E435 WeakPolarHBondContact CB-OE1 3.3Å; N433-E435 PolarHBondContact O-N 3.47Å; N433-R436 HydrophobicContact CB-CB 4.11Å; N433-R436 HydrophobicContact CB-CG 4.16Å; N433-R436 WeakPolarHBondContact O-CB 3.2Å; N433-R436 PolarHBondContact O-N 2.89Å; N433-I437 WeakPolarHBondContact O-CG1 3.38Å; N433-I437 PolarHBondContact O-N 2.84Å; N433-I437 VanDerWaalsContact O-N 3.1Å
434K92.4Very high91.5Very high95 Ų9557.8 Ų57.841%0.41331%0.307SS..Hα-helixtrans-66.1-41.4-165.7-71.2-179.2-177.3175.70112.5Y353 I361 V365 I432 R436 I437 V438Y353-K434 HydrophobicContact CE2-CG 4.49Å; Y353-K434 WeakPolarHBondContact OH-CE 3.39Å; I361-K434 HydrophobicContact CD1-CD 4.37Å; I361-K434 HydrophobicContact CD1-CG 4.47Å; I361-K434 HydrophobicContact CG2-CB 3.88Å; I361-K434 HydrophobicContact CG2-CD 4.41Å; I361-K434 HydrophobicContact CG2-CG 4.5Å; V365-K434 HydrophobicContact CG2-CB 4.3Å; V365-K434 HydrophobicContact CG2-CD 4.41Å; I432-K434 PolarHBondContact O-N 3.46Å; K434-R436 VanDerWaalsContact C-N 3.28Å; K434-R436 PolarHBondContact O-N 3.43Å; K434-I437 PolarHBondContact O-N 3.42Å; K434-V438 WeakPolarHBondContact O-CG2 3.49Å; K434-V438 PolarHBondContact O-N 3.35Å
435E92.5Very high92.1Very high53 Ų5359 Ų5925%0.24831%0.306CS..Hα-helixtrans-58.3-39.1174.963.9-66.9156.600112V365 L367 N433 V438 L439V365-E435 HydrophobicContact CG1-CB 4.07Å; L367-E435 HydrophobicContact CD2-CB 3.93Å; N433-E435 WeakPolarHBondContact CB-OE1 3.3Å; N433-E435 PolarHBondContact O-N 3.47Å; E435-V438 WeakPolarHBondContact O-CB 3.39Å; E435-V438 PolarHBondContact O-N 3.18Å; E435-L439 PolarHBondContact O-N 2.94Å
436R94.7Very high92.7Very high41 Ų4150.7 Ų50.716%0.15527%0.269CS..Hα-helixtrans-70.2-36.6175.4-69.4-178.8178.9156.63.3112.4E374 F414 Y419 C420 N433 K434 V438 L439 C440E374-R436 IonicContact OE1-CZ 3.91Å; E374-R436 VanDerWaalsContact OE1-CZ 3.28Å; E374-R436 IonicContact OE1-NE 2.76Å; E374-R436 PolarHBondContact OE1-NE 3.34Å; E374-R436 IonicContact OE1-NH2 3.85Å; E374-R436 PolarHBondContact OE1-NH2 3.49Å; F414-R436 HydrophobicContact CE2-CB 4.44Å; F414-R436 HydrophobicContact CE2-CG 4.01Å; F414-R436 HydrophobicContact CZ-CB 3.87Å; F414-R436 HydrophobicContact CZ-CG 3.95Å; Y419-R436 WeakPolarHBondContact O-CD 3.32Å; Y419-R436 PolarHBondContact O-NH1 3.34Å; C420-R436 HydrophobicContact CB-CB 4.49Å; N433-R436 HydrophobicContact CB-CB 4.11Å; N433-R436 HydrophobicContact CB-CG 4.16Å; N433-R436 WeakPolarHBondContact O-CB 3.2Å; N433-R436 PolarHBondContact O-N 2.89Å; K434-R436 VanDerWaalsContact C-N 3.28Å; K434-R436 PolarHBondContact O-N 3.43Å; R436-V438 VanDerWaalsContact C-N 3.31Å; R436-V438 PolarHBondContact O-N 3.26Å; R436-L439 WeakPolarHBondContact O-CB 3.44Å; R436-L439 PolarHBondContact O-N 3.25Å; R436-C440 PolarHBondContact O-N 3.5Å; R436-C440 PolarHBondContact O-SG 3.38Å
437I95Very high93.4Very high2 Ų242 Ų421%0.0123%0.228CC..Hα-helixtrans-66.3-35.6172.2-57.6-59.3000111.5I347 I348 A351 Y353 I358 C420 I432 N433 K434 L439 C440 E441I347-I437 HydrophobicContact CG2-CD1 4.13Å; I348-I437 HydrophobicContact CG1-CG2 4.36Å; A351-I437 HydrophobicContact CB-CD1 3.77Å; A351-I437 HydrophobicContact CB-CG1 4.08Å; Y353-I437 HydrophobicContact CD2-CB 4.4Å; Y353-I437 HydrophobicContact CD2-CG1 4.41Å; Y353-I437 HydrophobicContact CD2-CG2 3.9Å; Y353-I437 HydrophobicContact CE2-CG1 4.29Å; I358-I437 HydrophobicContact CD1-CG2 4.33Å; I358-I437 HydrophobicContact CG1-CG2 4.42Å; C420-I437 HydrophobicContact CB-CD1 3.96Å; I432-I437 HydrophobicContact CG2-CD1 4.36Å; I432-I437 HydrophobicContact CG2-CG1 3.7Å; N433-I437 WeakPolarHBondContact O-CG1 3.38Å; N433-I437 PolarHBondContact O-N 2.84Å; N433-I437 VanDerWaalsContact O-N 3.1Å; K434-I437 PolarHBondContact O-N 3.42Å; I437-L439 VanDerWaalsContact C-N 3.33Å; I437-C440 WeakPolarHBondContact O-CB 3.38Å; I437-C440 PolarHBondContact O-N 2.58Å; I437-E441 PolarHBondContact O-N 3.22Å
438V94.8Very high94Very high14 Ų1441 Ų419%0.08522%0.217CC..Hα-helixtrans-62.9-40.51721740000111I358 I361 L367 K434 E435 R436 E441 A442I358-V438 HydrophobicContact CG2-CG2 4.23Å; I361-V438 HydrophobicContact CG2-CG2 3.79Å; L367-V438 HydrophobicContact CD1-CG1 4.21Å; L367-V438 HydrophobicContact CD2-CB 4.1Å; L367-V438 HydrophobicContact CD2-CG1 3.96Å; K434-V438 WeakPolarHBondContact O-CG2 3.49Å; K434-V438 PolarHBondContact O-N 3.35Å; E435-V438 WeakPolarHBondContact O-CB 3.39Å; E435-V438 PolarHBondContact O-N 3.18Å; R436-V438 VanDerWaalsContact C-N 3.31Å; R436-V438 PolarHBondContact O-N 3.26Å; V438-E441 PolarHBondContact O-N 3.46Å; V438-A442 WeakPolarHBondContact O-CB 3.49Å; V438-A442 PolarHBondContact O-N 3.24Å
439L95.6Very high94.6Very high8 Ų839.4 Ų39.44%0.04220%0.197CC..Hα-helixtrans-61.1-44.3172.3-77.6174.3000112.2F369 E374 L377 A378 L381 F414 E435 R436 I437 E441 A442 T443F369-L439 HydrophobicContact CD1-CD1 4.16Å; F369-L439 HydrophobicContact CE1-CD1 3.9Å; F369-L439 HydrophobicContact CE1-CD2 3.77Å; F369-L439 HydrophobicContact CE1-CG 4.06Å; F369-L439 HydrophobicContact CZ-CD2 4.22Å; E374-L439 HydrophobicContact CB-CD1 4.21Å; E374-L439 HydrophobicContact CG-CD1 4.24Å; L377-L439 HydrophobicContact CD2-CB 4.4Å; A378-L439 HydrophobicContact CB-CD2 4.38Å; L381-L439 HydrophobicContact CD1-CD2 4.21Å; F414-L439 HydrophobicContact CE2-CD1 4.05Å; F414-L439 HydrophobicContact CZ-CB 4.32Å; F414-L439 HydrophobicContact CZ-CD1 4.23Å; E435-L439 PolarHBondContact O-N 2.94Å; R436-L439 WeakPolarHBondContact O-CB 3.44Å; R436-L439 PolarHBondContact O-N 3.25Å; I437-L439 VanDerWaalsContact C-N 3.33Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 2.91Å; L439-A442 PolarHBondContact O-N 3.49Å; L439-T443 PolarHBondContact O-N 3.22Å; L439-T443 PolarHBondContact O-OG1 3.04Å
440C96.4Very high95.2Very high0 Ų034.2 Ų34.20%017%0.169CC..Hα-helixtrans-56.8-46.8174.3-66.40000112I344 I348 F411 R436 I437 T443 A444I344-C440 HydrophobicContact CG2-CB 4.12Å; I344-C440 WeakPolarHBondContact CG2-O 3.45Å; I348-C440 HydrophobicContact CD1-CB 4.14Å; I348-C440 HydrophobicContact CG1-CB 3.92Å; F411-C440 HydrophobicContact CE2-CB 4.29Å; R436-C440 PolarHBondContact O-N 3.5Å; R436-C440 PolarHBondContact O-SG 3.38Å; I437-C440 WeakPolarHBondContact O-CB 3.38Å; I437-C440 PolarHBondContact O-N 2.58Å; C440-T443 PolarHBondContact O-N 3.06Å; C440-A444 PolarHBondContact O-N 2.75Å
441E95.6Very high95.7Very high7 Ų730.6 Ų30.63%0.03315%0.147CC..Hα-helixtrans-65.5-41.1179.1177.564.4-173.300111.9R345 I348 I358 I437 V438 L439 T443 A444 R445R345-E441 IonicContact NH1-OE1 3.92Å; R345-E441 IonicContact NH1-OE2 2.89Å; R345-E441 PolarHBondContact NH1-OE2 2.96Å; I348-E441 HydrophobicContact CD1-CB 4.23Å; I348-E441 WeakPolarHBondContact CD1-OE2 3.41Å; I358-E441 HydrophobicContact CD1-CB 4.27Å; I358-E441 HydrophobicContact CD1-CG 4.34Å; I358-E441 HydrophobicContact CG2-CB 3.77Å; I358-E441 HydrophobicContact CG2-CG 3.79Å; I437-E441 PolarHBondContact O-N 3.22Å; V438-E441 PolarHBondContact O-N 3.46Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 2.91Å; E441-T443 VanDerWaalsContact C-N 3.34Å; E441-T443 PolarHBondContact O-N 3.44Å; E441-A444 PolarHBondContact O-N 3.08Å; E441-R445 WeakPolarHBondContact O-CG 3.34Å; E441-R445 PolarHBondContact O-N 2.84Å; E441-R445 IonicContact OE1-CZ 2.65Å; E441-R445 VanDerWaalsContact OE1-CZ 3.26Å; E441-R445 IonicContact OE1-NE 3.58Å; E441-R445 PolarHBondContact OE1-NE 3.14Å; E441-R445 IonicContact OE1-NH2 2.76Å; E441-R445 PolarHBondContact OE1-NH2 3.22Å
442A96Very high96Very high35 Ų3528.2 Ų28.229%0.28914%0.138SC..Hα-helixtrans-60.1-44.5175.300000111.3L381 V438 L439 R445 V446L381-A442 HydrophobicContact CD1-CB 3.89Å; V438-A442 WeakPolarHBondContact O-CB 3.49Å; V438-A442 PolarHBondContact O-N 3.24Å; L439-A442 PolarHBondContact O-N 3.49Å; A442-R445 PolarHBondContact O-N 2.74Å; A442-V446 WeakPolarHBondContact O-CG2 3.4Å; A442-V446 PolarHBondContact O-N 2.9Å
443T97.9Very high96.4Very high0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-61-46.9174.9-54.40000112I344 L407 F411 L439 C440 E441 R445 V446 M447I344-T443 HydrophobicContact CD1-CG2 3.76Å; L407-T443 HydrophobicContact CD1-CG2 4.36Å; L407-T443 HydrophobicContact CD2-CG2 4.28Å; L407-T443 HydrophobicContact CG-CG2 4.13Å; F411-T443 HydrophobicContact CB-CG2 4.19Å; F411-T443 HydrophobicContact CD2-CG2 3.88Å; F411-T443 HydrophobicContact CG-CG2 4.22Å; L439-T443 PolarHBondContact O-N 3.22Å; L439-T443 PolarHBondContact O-OG1 3.04Å; C440-T443 PolarHBondContact O-N 3.06Å; E441-T443 VanDerWaalsContact C-N 3.34Å; E441-T443 PolarHBondContact O-N 3.44Å; T443-R445 VanDerWaalsContact C-N 3.32Å; T443-R445 PolarHBondContact O-N 3.03Å; T443-V446 PolarHBondContact O-N 3.23Å; T443-M447 HydrophobicContact CG2-CG 4.35Å; T443-M447 HydrophobicContact CG2-SD 4.1Å; T443-M447 WeakPolarHBondContact O-CB 3.11Å; T443-M447 WeakPolarHBondContact O-CG 3.48Å; T443-M447 PolarHBondContact O-N 2.83Å
444A97Very high96.6Very high2 Ų225.6 Ų25.62%0.01712%0.124CC..Hα-helixtrans-57.9-44.6176.800000111.9Y341 I344 C440 E441 M447 K448Y341-A444 HydrophobicContact CE2-CB 4.07Å; Y341-A444 WeakPolarHBondContact CE2-O 3.48Å; I344-A444 HydrophobicContact CG2-CB 3.88Å; C440-A444 PolarHBondContact O-N 2.75Å; E441-A444 PolarHBondContact O-N 3.08Å; A444-M447 PolarHBondContact O-N 3.3Å; A444-K448 VanDerWaalsContact O-CB 3.28Å; A444-K448 WeakPolarHBondContact O-CB 3.41Å; A444-K448 PolarHBondContact O-N 3.4Å
445R96.4Very high96.9Very high102 Ų10221.4 Ų21.439%0.38511%0.108SC..Hα-helixtrans-64.5-43.8179-72.1-179.6-174.4-175.47.1112.9E355 N359 E441 A442 T443 K448 C449E355-R445 IonicContact OE1-NH2 2.86Å; N359-R445 PolarHBondContact OD1-NH1 2.84Å; N359-R445 VanDerWaalsContact OD1-NH1 3.08Å; N359-R445 PolarHBondContact OD1-NH2 3Å; E441-R445 WeakPolarHBondContact O-CG 3.34Å; E441-R445 PolarHBondContact O-N 2.84Å; E441-R445 IonicContact OE1-CZ 2.65Å; E441-R445 VanDerWaalsContact OE1-CZ 3.26Å; E441-R445 IonicContact OE1-NE 3.58Å; E441-R445 PolarHBondContact OE1-NE 3.14Å; E441-R445 IonicContact OE1-NH2 2.76Å; E441-R445 PolarHBondContact OE1-NH2 3.22Å; A442-R445 PolarHBondContact O-N 2.74Å; T443-R445 VanDerWaalsContact C-N 3.32Å; T443-R445 PolarHBondContact O-N 3.03Å; R445-K448 PolarHBondContact O-N 2.94Å; R445-C449 WeakPolarHBondContact O-CB 3.5Å; R445-C449 PolarHBondContact O-N 2.97Å
446V98.2Very high97.1Very high22 Ų2219 Ų1913%0.13310%0.097CC..Hα-helixtrans-63.4-45.8177.1166.30000110.6L381 L384 Y403 L407 A442 T443 C449 G450L381-V446 HydrophobicContact CD2-CB 3.94Å; L381-V446 HydrophobicContact CD2-CG1 4.24Å; L381-V446 HydrophobicContact CD2-CG2 3.81Å; L384-V446 HydrophobicContact CB-CG1 4.39Å; L384-V446 HydrophobicContact CD2-CG1 4.18Å; Y403-V446 HydrophobicContact CE1-CG1 3.86Å; Y403-V446 WeakPolarHBondContact OH-CG1 3.4Å; L407-V446 HydrophobicContact CD2-CB 4.22Å; L407-V446 HydrophobicContact CD2-CG1 3.49Å; L407-V446 VanDerWaalsContact CD2-CG1 3.49Å; A442-V446 WeakPolarHBondContact O-CG2 3.4Å; A442-V446 PolarHBondContact O-N 2.9Å; T443-V446 PolarHBondContact O-N 3.23Å; V446-C449 PolarHBondContact O-N 3.13Å; V446-G450 PolarHBondContact O-N 3.37Å
447M98.3Very high97.1Very high0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-61.4-45.8175.8-71.8-176.376.400111.7L337 A340 Y341 I344 L404 L407 T443 A444 C449 G450 F451L337-M447 HydrophobicContact CD2-CE 4.34Å; A340-M447 HydrophobicContact CB-CE 4.33Å; Y341-M447 HydrophobicContact CD2-CB 4.15Å; I344-M447 HydrophobicContact CD1-SD 3.55Å; I344-M447 VanDerWaalsContact CD1-SD 3.55Å; L404-M447 HydrophobicContact CD2-CG 4.38Å; L407-M447 HydrophobicContact CD2-CG 3.93Å; T443-M447 HydrophobicContact CG2-CG 4.35Å; T443-M447 HydrophobicContact CG2-SD 4.1Å; T443-M447 WeakPolarHBondContact O-CB 3.11Å; T443-M447 WeakPolarHBondContact O-CG 3.48Å; T443-M447 PolarHBondContact O-N 2.83Å; A444-M447 PolarHBondContact O-N 3.3Å; M447-C449 VanDerWaalsContact C-N 3.32Å; M447-C449 PolarHBondContact O-N 3.41Å; M447-G450 PolarHBondContact O-N 2.81Å; M447-G450 VanDerWaalsContact O-N 3.16Å; M447-F451 HydrophobicContact CB-CD2 4.44Å; M447-F451 HydrophobicContact CB-CE2 4.03Å; M447-F451 HydrophobicContact CE-CE2 4.1Å; M447-F451 HydrophobicContact CE-CZ 3.78Å; M447-F451 WeakPolarHBondContact O-CD2 3.49Å; M447-F451 VanDerWaalsContact O-CG 3.3Å; M447-F451 WeakPolarHBondContact O-CG 3.22Å; M447-F451 PolarHBondContact O-N 2.85Å
448K97.8Very high97.1Very high60 Ų6021.6 Ų21.626%0.26111%0.112SC..Hα-helixtrans-58.8-43.3177.5-177.462.517272.60111.9Y341 A444 R445 F451 D452 T458Y341-K448 HydrophobicContact CE2-CB 4.09Å; A444-K448 VanDerWaalsContact O-CB 3.28Å; A444-K448 WeakPolarHBondContact O-CB 3.41Å; A444-K448 PolarHBondContact O-N 3.4Å; R445-K448 PolarHBondContact O-N 2.94Å; K448-F451 PolarHBondContact O-N 3.42Å; K448-D452 IonicContact NZ-OD1 2.73Å; K448-D452 PolarHBondContact NZ-OD1 3.12Å; K448-D452 IonicContact NZ-OD2 3.82Å; K448-D452 PolarHBondContact NZ-OD2 3.19Å; K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 VanDerWaalsContact O-CG 3.25Å; K448-D452 PolarHBondContact O-N 3Å; K448-T458 HydrophobicContact CD-CG2 3.51Å; K448-T458 VanDerWaalsContact CD-OG1 3.25Å; K448-T458 WeakPolarHBondContact CD-OG1 3.48Å; K448-T458 WeakPolarHBondContact CE-OG1 3.48Å
449C98.1Very high96.7Very high22 Ų2221.2 Ų21.215%0.14911%0.11CC..Hα-helixtrans-60-46.2174.91770000111.7F30 L384 R445 V446 M447 D452 I453F30-C449 WeakPolarHBondContact CZ-SG 3.36Å; L384-C449 HydrophobicContact CD2-CB 4.44Å; R445-C449 WeakPolarHBondContact O-CB 3.5Å; R445-C449 PolarHBondContact O-N 2.97Å; V446-C449 PolarHBondContact O-N 3.13Å; M447-C449 VanDerWaalsContact C-N 3.32Å; M447-C449 PolarHBondContact O-N 3.41Å; C449-D452 PolarHBondContact O-N 3.34Å; C449-I453 WeakPolarHBondContact O-CG1 3.47Å; C449-I453 PolarHBondContact O-N 3.02Å
450G98.5Very high95.9Very high0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-62.1-43.9175.700000112.9V446 M447 D452 I453 L454V446-G450 PolarHBondContact O-N 3.37Å; M447-G450 PolarHBondContact O-N 2.81Å; M447-G450 VanDerWaalsContact O-N 3.16Å; G450-D452 VanDerWaalsContact C-N 3.34Å; G450-D452 PolarHBondContact O-N 2.82Å; G450-I453 PolarHBondContact O-N 2.82Å; G450-L454 VanDerWaalsContact O-CG 3.31Å; G450-L454 WeakPolarHBondContact O-CG 3.47Å; G450-L454 PolarHBondContact O-N 3.21Å
451F98.5Very high94.9Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-62.1-40.8174.9-65.8-39.2000112.5L337 Y341 L404 M447 K448 I453 L454 G455 I456 T458L337-F451 HydrophobicContact CB-CE1 3.84Å; L337-F451 HydrophobicContact CB-CZ 3.77Å; L337-F451 HydrophobicContact CD1-CE1 4.09Å; Y341-F451 HydrophobicContact CD2-CE2 4.17Å; Y341-F451 HydrophobicContact CG-CE2 4.1Å; L404-F451 HydrophobicContact CD1-CD1 4.13Å; L404-F451 HydrophobicContact CD1-CE1 4.23Å; M447-F451 HydrophobicContact CB-CD2 4.44Å; M447-F451 HydrophobicContact CB-CE2 4.03Å; M447-F451 HydrophobicContact CE-CE2 4.1Å; M447-F451 HydrophobicContact CE-CZ 3.78Å; M447-F451 WeakPolarHBondContact O-CD2 3.49Å; M447-F451 VanDerWaalsContact O-CG 3.3Å; M447-F451 WeakPolarHBondContact O-CG 3.22Å; M447-F451 PolarHBondContact O-N 2.85Å; K448-F451 PolarHBondContact O-N 3.42Å; F451-I453 VanDerWaalsContact C-N 3.31Å; F451-I453 PolarHBondContact O-N 3.19Å; F451-L454 CarbonylContact O-C 3.55Å; F451-L454 PolarHBondContact O-N 2.88Å; F451-G455 PolarHBondContact O-N 2.71Å; F451-I456 HydrophobicContact CB-CB 4.08Å; F451-I456 HydrophobicContact CD1-CB 4.24Å; F451-I456 HydrophobicContact CD1-CD1 4.23Å; F451-I456 HydrophobicContact CD1-CG2 4.28Å; F451-I456 HydrophobicContact CG-CB 4.44Å; F451-I456 HydrophobicContact CG-CG2 4.5Å; F451-I456 PolarHBondContact O-N 2.78Å; F451-T458 HydrophobicContact CB-CG2 4.04Å; F451-T458 HydrophobicContact CD2-CG2 3.28Å; F451-T458 HydrophobicContact CE2-CG2 3.99Å; F451-T458 HydrophobicContact CG-CG2 4.02Å
452D98.2Very high93.8Very high67 Ų6729.6 Ų29.636%0.35815%0.147SC..Hα-helixtrans-61.3-41.6177-75.5-26.5000111.6R26 K448 C449 G450 G455R26-D452 VanDerWaalsContact CD-O 3.23Å; R26-D452 WeakPolarHBondContact CD-O 3.49Å; R26-D452 PolarHBondContact NH1-O 2.92Å; K448-D452 IonicContact NZ-OD1 2.73Å; K448-D452 PolarHBondContact NZ-OD1 3.12Å; K448-D452 IonicContact NZ-OD2 3.82Å; K448-D452 PolarHBondContact NZ-OD2 3.19Å; K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 VanDerWaalsContact O-CG 3.25Å; K448-D452 PolarHBondContact O-N 3Å; C449-D452 PolarHBondContact O-N 3.34Å; G450-D452 VanDerWaalsContact C-N 3.34Å; G450-D452 PolarHBondContact O-N 2.82Å; D452-G455 PolarHBondContact O-N 2.67Å
453I98.6Very high93.6Very high4 Ų429.3 Ų29.32%0.02114%0.14CC..Hα-helixtrans-63.1-45.9174-68.1167.6000110.6S23 L27 F30 L388 L400 C449 G450 F451 G455S23-I453 WeakPolarHBondContact CA-O 3.42Å; S23-I453 PolarHBondContact OG-O 3.21Å; S23-I453 VanDerWaalsContact OG-O 3.1Å; L27-I453 HydrophobicContact CB-CG2 3.9Å; L27-I453 HydrophobicContact CD1-CD1 4.34Å; L27-I453 HydrophobicContact CD1-CG2 4.37Å; F30-I453 HydrophobicContact CD1-CD1 4.08Å; F30-I453 HydrophobicContact CG-CD1 4.31Å; L388-I453 HydrophobicContact CD1-CD1 3.85Å; L388-I453 HydrophobicContact CD2-CD1 3.7Å; L388-I453 HydrophobicContact CG-CD1 4.44Å; L400-I453 HydrophobicContact CD2-CB 3.98Å; L400-I453 HydrophobicContact CD2-CD1 4.49Å; L400-I453 HydrophobicContact CD2-CG2 3.69Å; C449-I453 WeakPolarHBondContact O-CG1 3.47Å; C449-I453 PolarHBondContact O-N 3.02Å; G450-I453 PolarHBondContact O-N 2.82Å; F451-I453 VanDerWaalsContact C-N 3.31Å; F451-I453 PolarHBondContact O-N 3.19Å; I453-G455 PolarHBondContact O-N 2.7Å
454L98.6Very high93.4Very high3 Ų330.8 Ų30.82%0.01615%0.147CC..Hα-helixtrans-70.9-7177.5-62.9174.8000113.8Y308 L311 L400 L404 G450 F451 I456Y308-L454 HydrophobicContact CD2-CD1 4.13Å; Y308-L454 HydrophobicContact CE2-CD1 4.08Å; L311-L454 HydrophobicContact CB-CD2 4.32Å; L311-L454 HydrophobicContact CD1-CB 4.19Å; L311-L454 HydrophobicContact CD1-CD2 3.73Å; L400-L454 HydrophobicContact CD2-CD1 4.49Å; L400-L454 HydrophobicContact CD2-CD2 3.98Å; L400-L454 HydrophobicContact CD2-CG 3.93Å; L400-L454 HydrophobicContact CG-CD1 4.45Å; L400-L454 HydrophobicContact CG-CD2 4.42Å; L400-L454 HydrophobicContact CG-CG 4.4Å; L404-L454 HydrophobicContact CD1-CD1 3.64Å; G450-L454 VanDerWaalsContact O-CG 3.31Å; G450-L454 WeakPolarHBondContact O-CG 3.47Å; G450-L454 PolarHBondContact O-N 3.21Å; F451-L454 CarbonylContact O-C 3.55Å; F451-L454 PolarHBondContact O-N 2.88Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 HydrophobicContact CB-CD1 4.01Å; L454-I456 HydrophobicContact CB-CG1 4.07Å; L454-I456 HydrophobicContact CD1-CD1 4.26Å
455G97.8Very high93.2Very high7 Ų732.4 Ų32.47%0.07216%0.155CC..THydrogen-bonded Turntrans71.325.8-176.600000113.7K307 F451 D452 I453K307-G455 VanDerWaalsContact CD-O 3.25Å; K307-G455 WeakPolarHBondContact CD-O 3.32Å; K307-G455 PolarHBondContact NZ-O 3.27Å; F451-G455 PolarHBondContact O-N 2.71Å; D452-G455 PolarHBondContact O-N 2.67Å; I453-G455 PolarHBondContact O-N 2.7Å
456I97.4Very high93Very high3 Ų328.4 Ų28.42%0.01514%0.141CC..PPolyproline II helixtrans-94.2122.4178.9-60.9175.3000108.8Y308 L338 F451 L454Y308-I456 HydrophobicContact CD2-CD1 3.63Å; Y308-I456 HydrophobicContact CG-CD1 4.23Å; L338-I456 HydrophobicContact CD1-CG2 4.34Å; L338-I456 HydrophobicContact CD2-CG2 3.94Å; L338-I456 HydrophobicContact CG-CG2 4.37Å; F451-I456 HydrophobicContact CB-CB 4.08Å; F451-I456 HydrophobicContact CD1-CB 4.24Å; F451-I456 HydrophobicContact CD1-CD1 4.23Å; F451-I456 HydrophobicContact CD1-CG2 4.28Å; F451-I456 HydrophobicContact CG-CB 4.44Å; F451-I456 HydrophobicContact CG-CG2 4.5Å; F451-I456 PolarHBondContact O-N 2.78Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 HydrophobicContact CB-CD1 4.01Å; L454-I456 HydrophobicContact CB-CG1 4.07Å; L454-I456 HydrophobicContact CD1-CD1 4.26Å
457E95.3Very high92.7Very high86 Ų8628.8 Ų28.840%0.40214%0.142SC..PPolyproline II helixtrans-76.4129.4174.1-171.7177.2177.700110.1R296 A300R296-E457 IonicContact CZ-OE1 2.85Å; R296-E457 IonicContact NE-OE1 2.89Å; R296-E457 PolarHBondContact NE-OE1 3.41Å; R296-E457 IonicContact NH2-OE1 2.83Å; R296-E457 PolarHBondContact NH2-OE1 3.19Å; A300-E457 HydrophobicContact CB-CB 4.47Å; A300-E457 WeakPolarHBondContact CB-O 3.29Å
458T93.4Very high92.3Very high11 Ų1130.7 Ų30.77%0.06715%0.151CC..PPolyproline II helixtrans-91.3153.117459.70000111.8L338 Y341 K448 F451L338-T458 HydrophobicContact CD2-CG2 4.45Å; Y341-T458 HydrophobicContact CD1-CG2 4.18Å; Y341-T458 HydrophobicContact CE1-CG2 4.09Å; K448-T458 HydrophobicContact CD-CG2 3.51Å; K448-T458 VanDerWaalsContact CD-OG1 3.25Å; K448-T458 WeakPolarHBondContact CD-OG1 3.48Å; K448-T458 WeakPolarHBondContact CE-OG1 3.48Å; F451-T458 HydrophobicContact CB-CG2 4.04Å; F451-T458 HydrophobicContact CD2-CG2 3.28Å; F451-T458 HydrophobicContact CE2-CG2 3.99Å; F451-T458 HydrophobicContact CG-CG2 4.02Å
459V87.2Confident91.9Very high7 Ų728.6 Ų28.64%0.04214%0.143CC..  trans-119.4146.3169.2-67.90000110.6R296 A300 T342 K461 M462R296-V459 HydrophobicContact CG-CG1 3.97Å; A300-V459 HydrophobicContact CB-CG1 3.93Å; T342-V459 HydrophobicContact CG2-CG2 3.98Å; T342-V459 WeakPolarHBondContact CG2-O 3.36Å; V459-K461 VanDerWaalsContact C-N 3.31Å; V459-K461 WeakPolarHBondContact CB-O 3.37Å; V459-K461 VanDerWaalsContact CG2-O 3.27Å; V459-K461 WeakPolarHBondContact CG2-O 3.46Å; V459-M462 HydrophobicContact CG2-CB 3.89Å; V459-M462 HydrophobicContact CG2-CE 3.28Å; V459-M462 HydrophobicContact CG2-CG 4.36Å
460E78.5Confident91.5Very high85 Ų8529.1 Ų29.140%0.39714%0.143SC..SBendtrans-80.8-15.3180-67.4-6713000112.9Y341 R345 R349Y341-E460 PolarHBondContact OH-OE1 2.9Å; R345-E460 IonicContact CZ-OE2 3.61Å; R345-E460 IonicContact NE-OE1 3.42Å; R345-E460 IonicContact NE-OE2 2.75Å; R345-E460 PolarHBondContact NE-OE2 3.33Å; R345-E460 IonicContact NH2-OE1 3.5Å; R345-E460 IonicContact NH2-OE2 2.71Å; R345-E460 PolarHBondContact NH2-OE2 3.4Å; R349-E460 PolarHBondContact NH1-O 2.91Å
461K75.1Confident90.9Very high89 Ų8931.5 Ų31.539%0.38716%0.155SC..  trans-141.1138.3172.8-60.5-179.9-165.11540108.1L289 E293 V459L289-K461 HydrophobicContact CD2-CB 3.64Å; L289-K461 HydrophobicContact CD2-CD 4.24Å; E293-K461 IonicContact OE1-NZ 3.55Å; E293-K461 PolarHBondContact OE1-NZ 3.36Å; V459-K461 VanDerWaalsContact C-N 3.31Å; V459-K461 WeakPolarHBondContact CB-O 3.37Å; V459-K461 VanDerWaalsContact CG2-O 3.27Å; V459-K461 WeakPolarHBondContact CG2-O 3.46Å
462M72.3Confident90.2Very high16 Ų1634.4 Ų34.48%0.07917%0.169CC..  trans-141.80174.9-168.4178-74.100109.8L280 R285 V301 L338 T342 V459L280-M462 HydrophobicContact CD2-CG 4.16Å; R285-M462 WeakPolarHBondContact CD-OXT 3.5Å; R285-M462 WeakPolarHBondContact CG-OXT 3.31Å; R285-M462 PolarHBondContact NE-OXT 2.89Å; R285-M462 PolarHBondContact NH1-O 3.22Å; V301-M462 HydrophobicContact CG2-CE 3.61Å; V301-M462 HydrophobicContact CG2-SD 3.78Å; L338-M462 HydrophobicContact CB-CE 3.54Å; L338-M462 HydrophobicContact CB-SD 4.11Å; L338-M462 HydrophobicContact CD1-CE 3.98Å; L338-M462 HydrophobicContact CG-CE 4.24Å; T342-M462 HydrophobicContact CG2-CB 3.54Å; V459-M462 HydrophobicContact CG2-CB 3.89Å; V459-M462 HydrophobicContact CG2-CE 3.28Å; V459-M462 HydrophobicContact CG2-CG 4.36Å

Retrieved 462 of 462 residues in 1091.4 ms (Link to these results)

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