A0A077YZD4_TRITR Loading...

Small ribosomal subunit protein uS2

Required for the assembly and/or stability of the 40S ribosomal subunit. Required for the processing of the 20S rRNA-precursor to mature 18S rRNA in a late step of the maturation of 40S ribosomal subunits.

AlphaFold DB , UniProt , Accession A0A077YZD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 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
1M37.3Very low67.8Low238 Ų23887 Ų87100%1.17245%0.454SS*.  01280-67.6170.1-18000106.1D3M1-D3 PolarHBondContact O-N 3.48Å
2E44.2Very low69.6Low138 Ų13883.3 Ų83.365%0.64544%0.437SS*.  trans-65128.2169.9-68.1-174.2166.800107.9S4E2-S4 PolarHBondContact O-N 3.08Å
3D50.6Low71.3Confident100 Ų10085.3 Ų85.354%0.53544%0.44SS..  trans-60100.2-179-79.8-25.4000110.3M1 S5 H6M1-D3 PolarHBondContact O-N 3.48Å; D3-S5 PolarHBondContact O-N 2.98Å; D3-H6 WeakPolarHBondContact CB-CD2 3.4Å; D3-H6 VanDerWaalsContact CB-NE2 3.29Å; D3-H6 WeakPolarHBondContact CB-NE2 3.38Å; D3-H6 PolarHBondContact O-N 3.08Å; D3-H6 IonicContact OD2-CD2 3.71Å; D3-H6 IonicContact OD2-CE1 3.3Å; D3-H6 IonicContact OD2-NE2 2.81Å; D3-H6 PolarHBondContact OD2-NE2 3.16Å
4S56.5Low72.7Confident56 Ų5681.4 Ų81.439%0.39242%0.421SS..THydrogen-bonded Turntrans-60-10.2-178.461.40000114.4E2 Q65 R197E2-S4 PolarHBondContact O-N 3.08Å; S4-Q65 PolarHBondContact O-NE2 2.95Å; S4-R197 PolarHBondContact O-NH1 2.99Å; S4-R197 PolarHBondContact O-NH2 3.25Å
5S61.5Low74.1Confident50 Ų5076 Ų7635%0.3539%0.392SS..THydrogen-bonded Turntrans-82.7-16.6176.350.40000114.7D3 W61D3-S5 PolarHBondContact O-N 2.98Å; S5-W61 PolarHBondContact O-NE1 3Å
6H72.9Confident75.2Confident100 Ų10076.8 Ų76.846%0.46340%0.397SS..SBendtrans-69.1146.2178.8-68-43.8000111.6D3 W61D3-H6 WeakPolarHBondContact CB-CD2 3.4Å; D3-H6 VanDerWaalsContact CB-NE2 3.29Å; D3-H6 WeakPolarHBondContact CB-NE2 3.38Å; D3-H6 PolarHBondContact O-N 3.08Å; D3-H6 IonicContact OD2-CD2 3.71Å; D3-H6 IonicContact OD2-CE1 3.3Å; D3-H6 IonicContact OD2-NE2 2.81Å; D3-H6 PolarHBondContact OD2-NE2 3.16Å; H6-W61 PolarHBondContact O-NE1 3.05Å
7L78.6Confident76.2Confident43 Ų4376.9 Ų76.923%0.22541%0.412CS..  trans-89.1114.7175.5174.454.9000108.2D11 V12 F15 L57 W61L7-D11 HydrophobicContact CD1-CB 3.88Å; L7-V12 HydrophobicContact CD1-CG2 4.17Å; L7-V12 HydrophobicContact CD2-CG2 3.71Å; L7-V12 HydrophobicContact CG-CG2 3.59Å; L7-F15 HydrophobicContact CD1-CD2 4.2Å; L7-F15 HydrophobicContact CD1-CE2 3.81Å; L7-L57 HydrophobicContact CD2-CB 4.45Å; L7-W61 HydrophobicContact CB-CB 4.46Å; L7-W61 HydrophobicContact CB-CG 4Å; L7-W61 HydrophobicContact CD1-CB 4.1Å; L7-W61 HydrophobicContact CD1-CD2 3.74Å; L7-W61 HydrophobicContact CD1-CE3 4.08Å; L7-W61 HydrophobicContact CD1-CG 3.75Å; L7-W61 HydrophobicContact CD2-CB 4.24Å; L7-W61 HydrophobicContact CG-CB 4.49Å; L7-W61 HydrophobicContact CG-CG 4.3Å
8Y82.1Confident77.1Confident74 Ų7473.1 Ų73.129%0.2939%0.393SS..  trans-69.7144.7-179.1-65.5-80.1000111.4D10 D11 V12Y8-D10 PolarHBondContact O-N 3.2Å; Y8-D11 PolarHBondContact O-N 2.86Å; Y8-D11 VanDerWaalsContact O-N 3.08Å; Y8-V12 PolarHBondContact O-N 3.06Å; Y8-V12 VanDerWaalsContact O-N 3.13Å
9V86.7Confident78Confident106 Ų10675.1 Ų75.164%0.64240%0.399SS*.Hα-helixtrans-57.4-34.3-178.2179.60000112V12 K13V9-V12 WeakPolarHBondContact O-CB 3.31Å; V9-V12 PolarHBondContact O-N 2.97Å; V9-K13 WeakPolarHBondContact O-CG 3.31Å; V9-K13 PolarHBondContact O-N 2.68Å
10D86.9Confident78.7Confident47 Ų4771.4 Ų71.425%0.25138%0.38SS..Hα-helixtrans-70.8-39.7178.2-62.4-37.7000112.3Y8 V12 K13 L14 F201Y8-D10 PolarHBondContact O-N 3.2Å; D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.38Å; D10-K13 WeakPolarHBondContact O-CB 3.43Å; D10-K13 PolarHBondContact O-N 3.37Å; D10-K13 VanDerWaalsContact O-N 3.07Å; D10-K13 IonicContact OD1-NZ 3.85Å; D10-K13 PolarHBondContact OD1-NZ 3Å; D10-L14 PolarHBondContact O-N 3.03Å; D10-L14 VanDerWaalsContact O-N 3.17Å; D10-F201 HydrophobicContact CB-CD1 4.23Å; D10-F201 HydrophobicContact CB-CE1 3.72Å; D10-F201 HydrophobicContact CB-CZ 4.19Å; D10-F201 WeakPolarHBondContact O-CE1 3.23Å
11D88Confident79.4Confident5 Ų569.5 Ų69.53%0.02737%0.369CS..Hα-helixtrans-63.3-35.3173.8-66.1-25.4000111.5L7 Y8 K13 L14 F15 M183 R186L7-D11 HydrophobicContact CD1-CB 3.88Å; Y8-D11 PolarHBondContact O-N 2.86Å; Y8-D11 VanDerWaalsContact O-N 3.08Å; D11-K13 PolarHBondContact O-N 3.09Å; D11-L14 PolarHBondContact O-N 3.21Å; D11-F15 HydrophobicContact CB-CE2 4.36Å; D11-F15 WeakPolarHBondContact O-CD2 3.24Å; D11-F15 WeakPolarHBondContact O-CG 3.44Å; D11-F15 PolarHBondContact O-N 3.47Å; D11-M183 HydrophobicContact CB-CE 3.96Å; D11-R186 VanDerWaalsContact CG-NH2 3.34Å; D11-R186 IonicContact OD1-CZ 2.66Å; D11-R186 IonicContact OD1-NH1 3.45Å; D11-R186 PolarHBondContact OD1-NH1 3.06Å; D11-R186 IonicContact OD1-NH2 3.78Å; D11-R186 PolarHBondContact OD1-NH2 2.96Å; D11-R186 IonicContact OD2-CZ 3.21Å; D11-R186 IonicContact OD2-NH1 3.7Å; D11-R186 IonicContact OD2-NH2 3.02Å; D11-R186 PolarHBondContact OD2-NH2 3.39Å
12V90.4Very high82Confident42 Ų4259 Ų5926%0.25532%0.318SS..Hα-helixtrans-61-42.3171.7-176.70000111.5L7 Y8 V9 D10 L14 F15 L16 L57L7-V12 HydrophobicContact CD1-CG2 4.17Å; L7-V12 HydrophobicContact CD2-CG2 3.71Å; L7-V12 HydrophobicContact CG-CG2 3.59Å; Y8-V12 PolarHBondContact O-N 3.06Å; Y8-V12 VanDerWaalsContact O-N 3.13Å; V9-V12 WeakPolarHBondContact O-CB 3.31Å; V9-V12 PolarHBondContact O-N 2.97Å; D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.38Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.32Å; V12-F15 PolarHBondContact O-N 3.03Å; V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.79Å; V12-L57 HydrophobicContact CG1-CD1 4.46Å
13K91.7Very high84.3Confident110 Ų11052.9 Ų52.948%0.47829%0.291SS..Hα-helixtrans-59.5-44.5177.4-65.3167.9-169.7160.30110.9V9 D10 D11 L16 A17 F201V9-K13 WeakPolarHBondContact O-CG 3.31Å; V9-K13 PolarHBondContact O-N 2.68Å; D10-K13 WeakPolarHBondContact O-CB 3.43Å; D10-K13 PolarHBondContact O-N 3.37Å; D10-K13 VanDerWaalsContact O-N 3.07Å; D10-K13 IonicContact OD1-NZ 3.85Å; D10-K13 PolarHBondContact OD1-NZ 3Å; D11-K13 PolarHBondContact O-N 3.09Å; K13-L16 PolarHBondContact O-N 2.9Å; K13-A17 VanDerWaalsContact O-CB 3.28Å; K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 2.95Å; K13-F201 HydrophobicContact CD-CZ 4.28Å
14L91.1Very high86.2Confident31 Ų3149 Ų4916%0.16227%0.271CS..Hα-helixtrans-62.1-46.6175.7-66.6179.8000111.6D10 D11 V12 L16 A17 A18 L179 W182 M183 F201 V212D10-L14 PolarHBondContact O-N 3.03Å; D10-L14 VanDerWaalsContact O-N 3.17Å; D11-L14 PolarHBondContact O-N 3.21Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.32Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 2.63Å; L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 3.22Å; L14-L179 HydrophobicContact CB-CD1 3.74Å; L14-L179 VanDerWaalsContact O-CD1 3.25Å; L14-L179 WeakPolarHBondContact O-CD1 3.45Å; L14-W182 HydrophobicContact CD1-CH2 4.41Å; L14-W182 HydrophobicContact CD1-CZ3 4.07Å; L14-M183 HydrophobicContact CB-CE 4.1Å; L14-M183 HydrophobicContact CD1-CE 3.64Å; L14-F201 HydrophobicContact CD1-CD1 3.69Å; L14-F201 HydrophobicContact CD1-CE1 4.26Å; L14-F201 HydrophobicContact CD2-CD1 3.86Å; L14-F201 HydrophobicContact CD2-CE1 3.97Å; L14-F201 HydrophobicContact CG-CD1 3.67Å; L14-F201 HydrophobicContact CG-CE1 3.75Å; L14-V212 HydrophobicContact CD1-CG2 4.28Å
15F92.6Very high87.7Confident0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-61.2-35.6177.4-73.4-45.8000113.6L7 D11 V12 E19 T20 L57 W61 L179 M180 M183L7-F15 HydrophobicContact CD1-CD2 4.2Å; L7-F15 HydrophobicContact CD1-CE2 3.81Å; D11-F15 HydrophobicContact CB-CE2 4.36Å; D11-F15 WeakPolarHBondContact O-CD2 3.24Å; D11-F15 WeakPolarHBondContact O-CG 3.44Å; D11-F15 PolarHBondContact O-N 3.47Å; V12-F15 PolarHBondContact O-N 3.03Å; F15-E19 PolarHBondContact O-N 3.02Å; F15-T20 WeakPolarHBondContact CB-OG1 3.41Å; F15-T20 HydrophobicContact CD1-CG2 3.96Å; F15-T20 WeakPolarHBondContact CD1-OG1 3.39Å; F15-T20 PolarHBondContact O-N 3.41Å; F15-T20 PolarHBondContact O-OG1 2.85Å; F15-T20 VanDerWaalsContact O-OG1 3.04Å; F15-L57 HydrophobicContact CB-CD1 3.98Å; F15-L57 HydrophobicContact CB-CD2 3.94Å; F15-L57 HydrophobicContact CG-CD2 4.27Å; F15-W61 HydrophobicContact CE2-CE3 4.06Å; F15-W61 HydrophobicContact CZ-CE3 4.09Å; F15-L179 HydrophobicContact CD1-CD2 3.51Å; F15-L179 HydrophobicContact CE1-CD2 3.41Å; F15-L179 VanDerWaalsContact CE1-CD2 3.41Å; F15-M180 HydrophobicContact CD1-SD 4.37Å; F15-M180 HydrophobicContact CE1-SD 3.77Å; F15-M183 HydrophobicContact CE1-CE 4.48Å; F15-M183 HydrophobicContact CE1-CG 4.16Å; F15-M183 HydrophobicContact CZ-CE 4.29Å; F15-M183 HydrophobicContact CZ-CG 4.21Å; F15-M183 HydrophobicContact CZ-SD 4.46Å
16L92.5Very high89.1Confident88 Ų8855.9 Ų55.946%0.46129%0.29SS..Hα-helixtrans-72.3-46.2174.7-69174.9000111.6V12 K13 L14 A18 E19 L57V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.79Å; K13-L16 PolarHBondContact O-N 2.9Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.28Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.4Å; L16-E19 PolarHBondContact O-N 3.16Å; L16-E19 VanDerWaalsContact O-N 3.1Å; L16-L57 HydrophobicContact CD2-CD1 4.07Å; L16-L57 HydrophobicContact CG-CD1 4.41Å
17A92.6Very high89.9Confident79 Ų7952.8 Ų52.865%0.65328%0.282SS*.Hα-helixtrans-64.8-32.5-178.700000113.7K13 L14 E19K13-A17 VanDerWaalsContact O-CB 3.28Å; K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 2.63Å; A17-E19 VanDerWaalsContact C-N 3.35Å
18A92.3Very high90.6Very high9 Ų952.7 Ų52.77%0.07428%0.282CS..THydrogen-bonded Turntrans-92.111.3174.800000113.9L14 L16 T20 K175 S176 L179L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 3.22Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.4Å; A18-T20 HydrophobicContact CB-CG2 4.05Å; A18-T20 PolarHBondContact O-N 3.42Å; A18-T20 VanDerWaalsContact O-N 3.14Å; A18-K175 HydrophobicContact CB-CB 4.21Å; A18-S176 WeakPolarHBondContact O-CB 3.07Å; A18-L179 HydrophobicContact CB-CB 4.24Å; A18-L179 HydrophobicContact CB-CD1 3.52Å
19E93Very high91.1Very high110 Ų11056.1 Ų56.151%0.51430%0.298SS..THydrogen-bonded Turntrans57.427.9175.5-59-172157.300115.2F15 L16 A17 H21 I22 N170F15-E19 PolarHBondContact O-N 3.02Å; L16-E19 PolarHBondContact O-N 3.16Å; L16-E19 VanDerWaalsContact O-N 3.1Å; A17-E19 VanDerWaalsContact C-N 3.35Å; E19-H21 PolarHBondContact O-N 2.84Å; E19-H21 VanDerWaalsContact O-N 3.17Å; E19-I22 HydrophobicContact CB-CD1 3.82Å; E19-I22 HydrophobicContact CB-CG1 4.08Å; E19-I22 HydrophobicContact CG-CD1 3.99Å; E19-I22 WeakPolarHBondContact O-CB 3.28Å; E19-I22 PolarHBondContact O-N 3.18Å; E19-N170 PolarHBondContact O-ND2 3.07Å
20T92.9Very high91.3Very high1 Ų154.7 Ų54.71%0.00629%0.285CS..THydrogen-bonded Turntrans-67.7-20.3-174.570.50000113.5F15 A18 I22 N170 L179 M180F15-T20 WeakPolarHBondContact CB-OG1 3.41Å; F15-T20 HydrophobicContact CD1-CG2 3.96Å; F15-T20 WeakPolarHBondContact CD1-OG1 3.39Å; F15-T20 PolarHBondContact O-N 3.41Å; F15-T20 PolarHBondContact O-OG1 2.85Å; F15-T20 VanDerWaalsContact O-OG1 3.04Å; A18-T20 HydrophobicContact CB-CG2 4.05Å; A18-T20 PolarHBondContact O-N 3.42Å; A18-T20 VanDerWaalsContact O-N 3.14Å; T20-I22 VanDerWaalsContact C-N 3.32Å; T20-N170 PolarHBondContact O-N 3.05Å; T20-L179 HydrophobicContact CG2-CD1 4.45Å; T20-L179 HydrophobicContact CG2-CD2 4.23Å; T20-M180 HydrophobicContact CG2-SD 4.5Å
21H93Very high91.7Very high32 Ų3252.5 Ų52.515%0.14827%0.273CS..THydrogen-bonded Turntrans-78-12.2176.367.9-83.1000113.7E19 G23 I54 I55 L57E19-H21 PolarHBondContact O-N 2.84Å; E19-H21 VanDerWaalsContact O-N 3.17Å; H21-G23 PolarHBondContact O-N 3Å; H21-I54 WeakPolarHBondContact O-CA 3.43Å; H21-I55 PolarHBondContact O-N 2.84Å; H21-L57 HydrophobicContact CB-CD1 4.29Å; H21-L57 HydrophobicContact CB-CD2 3.94Å; H21-L57 HydrophobicContact CB-CG 4.08Å
22I92.1Very high91.8Very high19 Ų1958.2 Ų58.210%0.09730%0.299CS..BIsolated β-bridgetrans-85.8107.7-178.2-55-168.9000109.1E19 T20 L49 V52 N170E19-I22 HydrophobicContact CB-CD1 3.82Å; E19-I22 HydrophobicContact CB-CG1 4.08Å; E19-I22 HydrophobicContact CG-CD1 3.99Å; E19-I22 WeakPolarHBondContact O-CB 3.28Å; E19-I22 PolarHBondContact O-N 3.18Å; T20-I22 VanDerWaalsContact C-N 3.32Å; I22-L49 HydrophobicContact CD1-CD1 4.11Å; I22-L49 HydrophobicContact CD1-CD2 4.39Å; I22-L49 HydrophobicContact CG2-CD2 3.93Å; I22-V52 HydrophobicContact CG2-CG1 3.76Å; I22-N170 WeakPolarHBondContact O-CB 3.46Å; I22-N170 PolarHBondContact O-ND2 3.47Å
23G91.7Very high92Very high9 Ų961.4 Ų61.49%0.09331%0.312CS..  trans-82.9-157.6175.800000113.4H21 V52 H53 N155H21-G23 PolarHBondContact O-N 3Å; G23-V52 VanDerWaalsContact O-CG1 3.24Å; G23-V52 WeakPolarHBondContact O-CG1 3.18Å; G23-H53 VanDerWaalsContact CA-O 3.27Å; G23-H53 WeakPolarHBondContact CA-O 3.42Å; G23-H53 PolarHBondContact N-O 2.87Å; G23-N155 WeakPolarHBondContact CA-OD1 3.46Å
24S90.7Very high92.1Very high17 Ų1756.9 Ų56.912%0.11929%0.292CS..  trans-94.3167.9172.1-163.60000112N26 H53 N155 T156 D157 K172S24-N26 PolarHBondContact O-N 3.32Å; S24-H53 PolarHBondContact O-N 3.43Å; S24-H53 VanDerWaalsContact O-N 3.1Å; S24-H53 PolarHBondContact O-ND1 3.34Å; S24-N155 PolarHBondContact N-OD1 3.44Å; S24-T156 WeakPolarHBondContact CA-OG1 3.43Å; S24-T156 WeakPolarHBondContact CB-OG1 3.26Å; S24-T156 PolarHBondContact N-OG1 2.96Å; S24-D157 WeakPolarHBondContact CB-OD2 3.19Å; S24-D157 VanDerWaalsContact OG-CG 3.26Å; S24-D157 PolarHBondContact OG-OD2 3.2Å; S24-K172 PolarHBondContact OG-NZ 3.35Å
25R89.2Confident92.2Very high137 Ų13756.9 Ų56.952%0.51729%0.293SS..SBendtrans-67.8-26.8171.9-71.4-174.2179.8159.77.3112.7P48 I50 V52 H53R25-P48 PolarHBondContact NH2-O 3Å; R25-I50 PolarHBondContact NE-O 2.9Å; R25-V52 HydrophobicContact CG-CG2 4.08Å; R25-H53 PolarHBondContact O-CE1 3.39Å; R25-H53 PolarHBondContact O-ND1 2.9Å
26N90.6Very high92.2Very high114 Ų11463.7 Ų63.761%0.6132%0.319SS*.SBendtrans-101.6149.7174.7-61.7-3.8000109.4S24 T156 D157S24-N26 PolarHBondContact O-N 3.32Å; N26-T156 PolarHBondContact O-OG1 3.39Å; N26-D157 HydrophobicContact CB-CB 4.38Å
27A89.6Confident92.1Very high36 Ų3665.3 Ų65.330%0.29832%0.323SS..  trans-121.9137.1168.800000108.5T156A27-T156 CarbonylContact C-O 3.59Å; A27-T156 VanDerWaalsContact CA-O 3.31Å; A27-T156 WeakPolarHBondContact CA-O 3.46Å
28D92.5Very high92Very high41 Ų4168.2 Ų68.222%0.21932%0.317CS..  trans-79.4146166.3-173.836.7000109.5Q30 M31 E32 T156D28-Q30 PolarHBondContact O-N 3.45Å; D28-Q30 VanDerWaalsContact O-N 3.13Å; D28-M31 HydrophobicContact CB-CB 4.45Å; D28-M31 HydrophobicContact CB-CG 4.43Å; D28-M31 WeakPolarHBondContact O-CA 3.19Å; D28-M31 WeakPolarHBondContact O-CB 3.32Å; D28-M31 PolarHBondContact O-N 3.46Å; D28-E32 PolarHBondContact O-N 2.98Å; D28-T156 PolarHBondContact N-O 2.83Å
29F92.2Very high91.6Very high146 Ų14671 Ų7164%0.6433%0.326SS*.THydrogen-bonded Turntrans-60.1-30.8-172.870.6-80.4000112.5M31F29-M31 VanDerWaalsContact C-N 3.33Å
30Q92.4Very high90.9Very high76 Ų7670.3 Ų70.336%0.35533%0.33SS..THydrogen-bonded Turntrans-76.3-20.7177.2-52.3-171.5-57.900113.2D28 Q33 L160D28-Q30 PolarHBondContact O-N 3.45Å; D28-Q30 VanDerWaalsContact O-N 3.13Å; Q30-Q33 PolarHBondContact O-NE2 3.09Å; Q30-L160 HydrophobicContact CB-CD1 3.81Å; Q30-L160 HydrophobicContact CB-CG 4.34Å
31M93.8Very high89.6Confident1 Ų174.4 Ų74.41%0.00535%0.352CS..THydrogen-bonded Turntrans-91.8-13.6-179.7-73.6-62.5-72.600113.6D28 F29 Q33 Y34 C154 N155 L160 P168D28-M31 HydrophobicContact CB-CB 4.45Å; D28-M31 HydrophobicContact CB-CG 4.43Å; D28-M31 WeakPolarHBondContact O-CA 3.19Å; D28-M31 WeakPolarHBondContact O-CB 3.32Å; D28-M31 PolarHBondContact O-N 3.46Å; F29-M31 VanDerWaalsContact C-N 3.33Å; M31-Q33 PolarHBondContact O-N 3.1Å; M31-Q33 VanDerWaalsContact O-N 3.13Å; M31-Y34 HydrophobicContact CE-CD2 3.8Å; M31-Y34 HydrophobicContact CE-CE2 4.5Å; M31-Y34 PolarHBondContact O-N 3.44Å; M31-Y34 HydrophobicContact SD-CD2 3.54Å; M31-Y34 VanDerWaalsContact SD-CD2 3.54Å; M31-Y34 HydrophobicContact SD-CE2 3.82Å; M31-C154 HydrophobicContact CE-CB 3.89Å; M31-C154 HydrophobicContact SD-CB 4.14Å; M31-N155 WeakPolarHBondContact CE-O 3.4Å; M31-L160 HydrophobicContact CG-CD1 4.23Å; M31-L160 HydrophobicContact CG-CD2 4.39Å; M31-L160 HydrophobicContact CG-CG 4.29Å; M31-L160 HydrophobicContact SD-CD1 3.73Å; M31-L160 HydrophobicContact SD-CD2 3.77Å; M31-L160 HydrophobicContact SD-CG 4.07Å; M31-P168 HydrophobicContact CE-CB 3.95Å
32E91.3Very high88Confident124 Ų12477.2 Ų77.258%0.57938%0.381SS*.G310 helixtrans-51.1-38.3178.5-69.2-175.9-179.400112.7D28 Y34 V35D28-E32 PolarHBondContact O-N 2.98Å; E32-Y34 PolarHBondContact O-N 3.01Å; E32-Y34 VanDerWaalsContact O-N 3.09Å; E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 PolarHBondContact O-N 3.46Å
33Q93.3Very high86.2Confident110 Ų11081 Ų8151%0.51440%0.401SS..G310 helixtrans-57.7-24.3176.567.4-179.3-51.700114.3Q30 M31 K59Q30-Q33 PolarHBondContact O-NE2 3.09Å; M31-Q33 PolarHBondContact O-N 3.1Å; M31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-K59 VanDerWaalsContact O-CD 3.31Å; Q33-K59 WeakPolarHBondContact O-CD 3.22Å; Q33-K59 WeakPolarHBondContact O-CE 3.35Å; Q33-K59 PolarHBondContact O-NZ 3.43Å
34Y94.6Very high84.3Confident15 Ų1589.8 Ų89.86%0.05943%0.431CS..G310 helixtrans-94.8-15.9179.2-56.1-64.2000113.1M31 E32 N56 K59 K63 A166 P168M31-Y34 HydrophobicContact CE-CD2 3.8Å; M31-Y34 HydrophobicContact CE-CE2 4.5Å; M31-Y34 PolarHBondContact O-N 3.44Å; M31-Y34 HydrophobicContact SD-CD2 3.54Å; M31-Y34 VanDerWaalsContact SD-CD2 3.54Å; M31-Y34 HydrophobicContact SD-CE2 3.82Å; E32-Y34 PolarHBondContact O-N 3.01Å; E32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-N56 WeakPolarHBondContact O-CB 3.33Å; Y34-N56 PolarHBondContact O-N 3.46Å; Y34-K59 HydrophobicContact CD1-CB 4.16Å; Y34-K59 HydrophobicContact CD1-CD 4.28Å; Y34-K63 HydrophobicContact CE1-CG 4.15Å; Y34-K63 WeakPolarHBondContact OH-CE 3.26Å; Y34-K63 PolarHBondContact OH-NZ 2.88Å; Y34-K63 VanDerWaalsContact OH-NZ 3.14Å; Y34-A166 HydrophobicContact CE2-CB 4.41Å; Y34-P168 HydrophobicContact CD1-CB 4.29Å; Y34-P168 HydrophobicContact CD1-CG 3.66Å; Y34-P168 HydrophobicContact CD2-CB 4.28Å; Y34-P168 HydrophobicContact CD2-CG 4.44Å; Y34-P168 HydrophobicContact CE1-CG 4.28Å; Y34-P168 HydrophobicContact CG-CB 3.84Å; Y34-P168 HydrophobicContact CG-CG 3.74Å
35V93.6Very high82.6Confident30 Ų3096.3 Ų96.318%0.18247%0.465CS..EExtended strand (participates in β ladder)trans-71.6134.9173.4178.90000109.1E32 H53 T156E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 PolarHBondContact O-N 3.46Å; V35-H53 HydrophobicContact CG1-CB 4.03Å; V35-H53 HydrophobicContact CG2-CB 4.1Å; V35-T156 HydrophobicContact CG2-CG2 3.95Å
36Y92.5Very high81Confident143 Ų14393.6 Ų93.656%0.56146%0.463SS*.EExtended strand (participates in β ladder)trans-89.2-54.8172.5179.5-116.1000111.2I54Y36-I54 PolarHBondContact N-O 2.99Å
37K91.4Very high79.2Confident123 Ų12393.9 Ų93.954%0.53547%0.469SS..EExtended strand (participates in β ladder)trans-152.4155.3178.8-68.6-175.4-178.3177.60109.2I54K37-I54 WeakPolarHBondContact O-CB 3.39Å; K37-I54 PolarHBondContact O-N 3.19Å
38R89.5Confident77.9Confident139 Ų13996 Ų9653%0.52548%0.479SS..EExtended strand (participates in β ladder)trans-87.2136.6163.6-164.3174.9-176.5-163-4.2108.8G51R38-G51 PolarHBondContact NE-O 3.36Å; R38-G51 PolarHBondContact NH2-O 3.2Å
39R83.8Confident76.4Confident69 Ų6996 Ų9626%0.2648%0.479SS..PPolyproline II helixtrans-66.9127.7174.3-176.9174.9-75.8-173.8-0.1108.3V52 I54R39-V52 PolarHBondContact N-O 3Å; R39-I54 HydrophobicContact CB-CD1 4.47Å
40P78.8Confident75.3Confident95 Ų9592.1 Ų92.162%0.61747%0.465SS*.PPolyproline II helixtrans-69.6141-179.728.4-34.7000111A42P40-A42 PolarHBondContact O-N 3.34Å
41D64.5Low74.7Confident87 Ų8788.7 Ų88.747%0.46545%0.449SS..THydrogen-bonded Turntrans-68.5-7.2-175.5-61.9-23000114.2L43 I50 G51D41-L43 VanDerWaalsContact C-N 3.32Å; D41-L43 PolarHBondContact O-N 3.14Å; D41-I50 HydrophobicContact CB-CG2 3.81Å; D41-I50 WeakPolarHBondContact OD1-CG2 3.43Å; D41-G51 WeakPolarHBondContact OD1-CA 3.44Å; D41-G51 PolarHBondContact OD1-N 3.31Å
42A60.1Low74.5Confident90 Ų9089.2 Ų89.274%0.74445%0.452SS*.THydrogen-bonded Turntrans-73.2-16-177.300000114.4P40 R44P40-A42 PolarHBondContact O-N 3.34Å; A42-R44 PolarHBondContact O-N 3.17Å
43L55.2Low74.5Confident100 Ų10084.4 Ų84.452%0.52443%0.43SS..  trans-8368.3177-157.986.2000110.7D41 D45D41-L43 VanDerWaalsContact C-N 3.32Å; D41-L43 PolarHBondContact O-N 3.14Å; L43-D45 VanDerWaalsContact C-N 3.26Å; L43-D45 PolarHBondContact O-N 2.91Å
44R50.3Low74.5Confident193 Ų19381.5 Ų81.573%0.72842%0.418SS*.THydrogen-bonded Turntrans-67.3-17.8-170.2-79.1-174.4169.9-172-2.9115.4A42 V46 V47A42-R44 PolarHBondContact O-N 3.17Å; R44-V46 VanDerWaalsContact C-N 3.31Å; R44-V46 PolarHBondContact O-N 3.11Å; R44-V47 VanDerWaalsContact O-CG2 3.26Å; R44-V47 WeakPolarHBondContact O-CG2 3.46Å
45D55.7Low74.5Confident154 Ų15481 Ų8182%0.82442%0.416SS*.THydrogen-bonded Turntrans-83.5-2.9-166.9-51-36.4000114.4L43L43-D45 VanDerWaalsContact C-N 3.26Å; L43-D45 PolarHBondContact O-N 2.91Å
46V55.9Low74.5Confident79 Ų7981.4 Ų81.448%0.47942%0.417SS..SBendtrans-123.884.5176.9-171.10000110.1R44 P48R44-V46 VanDerWaalsContact C-N 3.31Å; R44-V46 PolarHBondContact O-N 3.11Å; V46-P48 VanDerWaalsContact O-CD 3.3Å; V46-P48 WeakPolarHBondContact O-CD 3.5Å; V46-P48 VanDerWaalsContact O-N 3.08Å
47V52.1Low74.5Confident120 Ų12075.8 Ų75.873%0.72740%0.397SS*.THydrogen-bonded Turntrans-85.661.9-163-166.80000113.8R44R44-V47 VanDerWaalsContact O-CG2 3.26Å; R44-V47 WeakPolarHBondContact O-CG2 3.46Å
48P62Low74.5Confident81 Ų8177.4 Ų77.453%0.52640%0.399SS..THydrogen-bonded Turntrans-134.1-18.4133.714.74.6000115R25 V46 I50R25-P48 PolarHBondContact NH2-O 3Å; V46-P48 VanDerWaalsContact O-CD 3.3Å; V46-P48 WeakPolarHBondContact O-CD 3.5Å; V46-P48 VanDerWaalsContact O-N 3.08Å; P48-I50 PolarHBondContact O-N 2.75Å
49L62.1Low74.7Confident42 Ų4275 Ų7522%0.2239%0.393CS..  trans-97.223.2-159.7-63.8175.4000115.1I22 V52I22-L49 HydrophobicContact CD1-CD1 4.11Å; I22-L49 HydrophobicContact CD1-CD2 4.39Å; I22-L49 HydrophobicContact CG2-CD2 3.93Å; L49-V52 HydrophobicContact CB-CG2 4.47Å; L49-V52 HydrophobicContact CD2-CG2 4.24Å
50I69Low75.2Confident64 Ų6471.8 Ų71.833%0.32838%0.38SS..THydrogen-bonded Turntrans-64.7135174.3-61.1176.9000109.7R25 D41 P48 V52R25-I50 PolarHBondContact NE-O 2.9Å; D41-I50 HydrophobicContact CB-CG2 3.81Å; D41-I50 WeakPolarHBondContact OD1-CG2 3.43Å; P48-I50 PolarHBondContact O-N 2.75Å; I50-V52 VanDerWaalsContact C-N 3.27Å; I50-V52 PolarHBondContact O-N 3.35Å
51G79.7Confident75.9Confident3 Ų367.2 Ų67.23%0.03135%0.351CS..THydrogen-bonded Turntrans69.68.9175.500000116.9R38 D41R38-G51 PolarHBondContact NE-O 3.36Å; R38-G51 PolarHBondContact NH2-O 3.2Å; D41-G51 WeakPolarHBondContact OD1-CA 3.44Å; D41-G51 PolarHBondContact OD1-N 3.31Å
52V88.6Confident77.3Confident12 Ų1267.1 Ų67.17%0.07335%0.348CS..PPolyproline II helixtrans-77.3138.6-174.7178.80000112.3I22 G23 R25 R39 L49 I50I22-V52 HydrophobicContact CG2-CG1 3.76Å; G23-V52 VanDerWaalsContact O-CG1 3.24Å; G23-V52 WeakPolarHBondContact O-CG1 3.18Å; R25-V52 HydrophobicContact CG-CG2 4.08Å; R39-V52 PolarHBondContact N-O 3Å; L49-V52 HydrophobicContact CB-CG2 4.47Å; L49-V52 HydrophobicContact CD2-CG2 4.24Å; I50-V52 VanDerWaalsContact C-N 3.27Å; I50-V52 PolarHBondContact O-N 3.35Å
53H91.6Very high78.9Confident24 Ų2465.2 Ų65.211%0.11132%0.323CS..EExtended strand (participates in β ladder)trans-77.8131.9173-64.597.4000111.5G23 S24 R25 V35 T156G23-H53 VanDerWaalsContact CA-O 3.27Å; G23-H53 WeakPolarHBondContact CA-O 3.42Å; G23-H53 PolarHBondContact N-O 2.87Å; S24-H53 PolarHBondContact O-N 3.43Å; S24-H53 VanDerWaalsContact O-N 3.1Å; S24-H53 PolarHBondContact O-ND1 3.34Å; R25-H53 PolarHBondContact O-CE1 3.39Å; R25-H53 PolarHBondContact O-ND1 2.9Å; V35-H53 HydrophobicContact CG1-CB 4.03Å; V35-H53 HydrophobicContact CG2-CB 4.1Å; H53-T156 HydrophobicContact CB-CG2 3.98Å
54I93.2Very high80.8Confident49 Ų4960.5 Ų60.525%0.25130%0.298SS..EExtended strand (participates in β ladder)trans-93.1121.8175.6-57.9173.5000108.4H21 Y36 K37 R39H21-I54 WeakPolarHBondContact O-CA 3.43Å; Y36-I54 PolarHBondContact N-O 2.99Å; K37-I54 WeakPolarHBondContact O-CB 3.39Å; K37-I54 PolarHBondContact O-N 3.19Å; R39-I54 HydrophobicContact CB-CD1 4.47Å
55I94.5Very high82.9Confident4 Ų451.9 Ų51.92%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-79138.6178.8-58.1176.3000109.9H21 L57 T60 T156 P168H21-I55 PolarHBondContact O-N 2.84Å; I55-L57 PolarHBondContact O-N 2.73Å; I55-T60 HydrophobicContact CG2-CG2 3.46Å; I55-T60 VanDerWaalsContact CG2-CG2 3.46Å; I55-T156 HydrophobicContact CD1-CG2 4.13Å; I55-T156 HydrophobicContact CG1-CG2 3.82Å; I55-P168 HydrophobicContact CG2-CB 3.83Å; I55-P168 HydrophobicContact CG2-CG 4.4Å
56N93.7Very high84.7Confident39 Ų3948.4 Ų48.421%0.20925%0.247CC..  trans-76.2101.8177.9-171.3-29.9000111.7Y34 R58 K59 T60Y34-N56 WeakPolarHBondContact O-CB 3.33Å; Y34-N56 PolarHBondContact O-N 3.46Å; N56-R58 PolarHBondContact O-N 3.46Å; N56-R58 VanDerWaalsContact O-N 3.11Å; N56-R58 WeakPolarHBondContact OD1-CB 3.44Å; N56-R58 PolarHBondContact OD1-N 3.32Å; N56-R58 VanDerWaalsContact OD1-N 3.07Å; N56-K59 HydrophobicContact CB-CB 4.25Å; N56-K59 HydrophobicContact CB-CD 4.31Å; N56-K59 HydrophobicContact CB-CG 4.13Å; N56-K59 WeakPolarHBondContact O-CA 3.48Å; N56-K59 WeakPolarHBondContact O-CB 3.41Å; N56-K59 PolarHBondContact O-N 2.83Å; N56-T60 PolarHBondContact O-N 2.92Å
57L92.8Very high86.6Confident25 Ų2544.7 Ų44.713%0.13122%0.224CC..Hα-helixtrans-55.6-26.5180-67.2-178.1000114.9L7 V12 F15 L16 H21 I55 K59 T60 W61L7-L57 HydrophobicContact CD2-CB 4.45Å; V12-L57 HydrophobicContact CG1-CD1 4.46Å; F15-L57 HydrophobicContact CB-CD1 3.98Å; F15-L57 HydrophobicContact CB-CD2 3.94Å; F15-L57 HydrophobicContact CG-CD2 4.27Å; L16-L57 HydrophobicContact CD2-CD1 4.07Å; L16-L57 HydrophobicContact CG-CD1 4.41Å; H21-L57 HydrophobicContact CB-CD1 4.29Å; H21-L57 HydrophobicContact CB-CD2 3.94Å; H21-L57 HydrophobicContact CB-CG 4.08Å; I55-L57 PolarHBondContact O-N 2.73Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-T60 WeakPolarHBondContact CA-OG1 3.23Å; L57-T60 HydrophobicContact CD2-CG2 4.24Å; L57-T60 PolarHBondContact O-OG1 3.12Å; L57-W61 WeakPolarHBondContact O-CB 3.49Å; L57-W61 PolarHBondContact O-N 3.07Å; L57-W61 VanDerWaalsContact O-N 3.1Å
58R92.3Very high88.7Confident156 Ų15639 Ų3959%0.58919%0.19SC*.Hα-helixtrans-68.5-36.8172.9-170.9176.6-179.5-178.82.4111.4N56 H62N56-R58 PolarHBondContact O-N 3.46Å; N56-R58 VanDerWaalsContact O-N 3.11Å; N56-R58 WeakPolarHBondContact OD1-CB 3.44Å; N56-R58 PolarHBondContact OD1-N 3.32Å; N56-R58 VanDerWaalsContact OD1-N 3.07Å; R58-H62 PolarHBondContact O-CD2 3.16Å; R58-H62 PolarHBondContact O-N 2.84Å; R58-H62 VanDerWaalsContact O-N 3.13Å
59K92.6Very high90.2Very high89 Ų8941.8 Ų41.839%0.38719%0.19SC..Hα-helixtrans-75.1-34.7176.2-62.4-170.4179.1-170.90112Q33 Y34 N56 L57 K63Q33-K59 VanDerWaalsContact O-CD 3.31Å; Q33-K59 WeakPolarHBondContact O-CD 3.22Å; Q33-K59 WeakPolarHBondContact O-CE 3.35Å; Q33-K59 PolarHBondContact O-NZ 3.43Å; Y34-K59 HydrophobicContact CD1-CB 4.16Å; Y34-K59 HydrophobicContact CD1-CD 4.28Å; N56-K59 HydrophobicContact CB-CB 4.25Å; N56-K59 HydrophobicContact CB-CD 4.31Å; N56-K59 HydrophobicContact CB-CG 4.13Å; N56-K59 WeakPolarHBondContact O-CA 3.48Å; N56-K59 WeakPolarHBondContact O-CB 3.41Å; N56-K59 PolarHBondContact O-N 2.83Å; L57-K59 VanDerWaalsContact C-N 3.34Å; K59-K63 WeakPolarHBondContact O-CB 3.31Å; K59-K63 WeakPolarHBondContact O-CG 3.32Å; K59-K63 PolarHBondContact O-N 2.95Å; K59-K63 VanDerWaalsContact O-N 3.08Å
60T94Very high91.8Very high1 Ų141.2 Ų41.21%0.00619%0.191CC..Hα-helixtrans-59.1-48.5172.275.20000110.2I55 N56 L57 K63 L64 P168I55-T60 HydrophobicContact CG2-CG2 3.46Å; I55-T60 VanDerWaalsContact CG2-CG2 3.46Å; N56-T60 PolarHBondContact O-N 2.92Å; L57-T60 WeakPolarHBondContact CA-OG1 3.23Å; L57-T60 HydrophobicContact CD2-CG2 4.24Å; L57-T60 PolarHBondContact O-OG1 3.12Å; T60-K63 PolarHBondContact O-N 3.35Å; T60-L64 WeakPolarHBondContact O-CB 3.5Å; T60-L64 PolarHBondContact O-N 2.82Å; T60-P168 WeakPolarHBondContact CB-O 3.25Å; T60-P168 HydrophobicContact CG2-CB 4.47Å; T60-P168 HydrophobicContact CG2-CG 4.06Å; T60-P168 WeakPolarHBondContact CG2-O 3.5Å
61W93.6Very high93Very high0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-60-50.7178.7-176.1-120.6000113.2S5 H6 L7 F15 L57 K63 L64 Q65 M183 E187S5-W61 PolarHBondContact O-NE1 3Å; H6-W61 PolarHBondContact O-NE1 3.05Å; L7-W61 HydrophobicContact CB-CB 4.46Å; L7-W61 HydrophobicContact CB-CG 4Å; L7-W61 HydrophobicContact CD1-CB 4.1Å; L7-W61 HydrophobicContact CD1-CD2 3.74Å; L7-W61 HydrophobicContact CD1-CE3 4.08Å; L7-W61 HydrophobicContact CD1-CG 3.75Å; L7-W61 HydrophobicContact CD2-CB 4.24Å; L7-W61 HydrophobicContact CG-CB 4.49Å; L7-W61 HydrophobicContact CG-CG 4.3Å; F15-W61 HydrophobicContact CE2-CE3 4.06Å; F15-W61 HydrophobicContact CZ-CE3 4.09Å; L57-W61 WeakPolarHBondContact O-CB 3.49Å; L57-W61 PolarHBondContact O-N 3.07Å; L57-W61 VanDerWaalsContact O-N 3.1Å; W61-K63 VanDerWaalsContact C-N 3.28Å; W61-K63 PolarHBondContact O-N 3.11Å; W61-L64 HydrophobicContact CZ3-CD2 4.49Å; W61-L64 PolarHBondContact O-N 3.02Å; W61-Q65 HydrophobicContact CD2-CG 4.4Å; W61-Q65 HydrophobicContact CZ2-CG 4.37Å; W61-Q65 VanDerWaalsContact NE1-NE2 3.14Å; W61-Q65 WeakPolarHBondContact O-CG 3.13Å; W61-Q65 PolarHBondContact O-N 3.28Å; W61-M183 HydrophobicContact CZ3-SD 4.43Å; W61-E187 HydrophobicContact CH2-CG 4.06Å; W61-E187 WeakPolarHBondContact CH2-OE1 3.43Å; W61-E187 HydrophobicContact CZ3-CG 4.28Å
62H93.7Very high93.7Very high85 Ų8539.3 Ų39.339%0.39418%0.184SC..Hα-helixtrans-59.8-38.6178.8-72.5-157.1000112R58 L66R58-H62 PolarHBondContact O-CD2 3.16Å; R58-H62 PolarHBondContact O-N 2.84Å; R58-H62 VanDerWaalsContact O-N 3.13Å; H62-L66 WeakPolarHBondContact O-CB 3.43Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.08Å
63K95.2Very high93.9Very high50 Ų5042.5 Ų42.522%0.21721%0.212CC..Hα-helixtrans-72.2-36.8177-76.5-72.1-173.6160.60112.9Y34 K59 T60 W61 L66 A67 I165 A166 I167Y34-K63 HydrophobicContact CE1-CG 4.15Å; Y34-K63 WeakPolarHBondContact OH-CE 3.26Å; Y34-K63 PolarHBondContact OH-NZ 2.88Å; Y34-K63 VanDerWaalsContact OH-NZ 3.14Å; K59-K63 WeakPolarHBondContact O-CB 3.31Å; K59-K63 WeakPolarHBondContact O-CG 3.32Å; K59-K63 PolarHBondContact O-N 2.95Å; K59-K63 VanDerWaalsContact O-N 3.08Å; T60-K63 PolarHBondContact O-N 3.35Å; W61-K63 VanDerWaalsContact C-N 3.28Å; W61-K63 PolarHBondContact O-N 3.11Å; K63-L66 PolarHBondContact O-N 3.11Å; K63-A67 WeakPolarHBondContact O-CB 3.15Å; K63-A67 PolarHBondContact O-N 2.86Å; K63-I165 HydrophobicContact CD-CG2 4.5Å; K63-A166 WeakPolarHBondContact CD-O 3.41Å; K63-I167 HydrophobicContact CB-CG1 4.48Å
64L94.7Very high94Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-62.2-45.3173.9-168.7159.7000111T60 W61 L66 A67 A68 I167 M180 M183 E187T60-L64 WeakPolarHBondContact O-CB 3.5Å; T60-L64 PolarHBondContact O-N 2.82Å; W61-L64 HydrophobicContact CZ3-CD2 4.49Å; W61-L64 PolarHBondContact O-N 3.02Å; L64-L66 PolarHBondContact O-N 3.06Å; L64-A67 PolarHBondContact O-N 2.88Å; L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.27Å; L64-I167 HydrophobicContact CB-CG2 4.47Å; L64-M180 HydrophobicContact CD1-CE 3.8Å; L64-M183 HydrophobicContact CD1-CB 3.6Å; L64-M183 HydrophobicContact CD2-CB 4.46Å; L64-E187 HydrophobicContact CD2-CB 4.01Å; L64-E187 HydrophobicContact CD2-CG 3.66Å
65Q92.9Very high93.9Very high13 Ų1350 Ų506%0.06125%0.245CC..Hα-helixtrans-63.9-38.1174.8-69.2-167.9-13.400113.2S4 W61 A68 R69 R197S4-Q65 PolarHBondContact O-NE2 2.95Å; W61-Q65 HydrophobicContact CD2-CG 4.4Å; W61-Q65 HydrophobicContact CZ2-CG 4.37Å; W61-Q65 VanDerWaalsContact NE1-NE2 3.14Å; W61-Q65 WeakPolarHBondContact O-CG 3.13Å; W61-Q65 PolarHBondContact O-N 3.28Å; Q65-A68 PolarHBondContact O-N 3.33Å; Q65-R69 WeakPolarHBondContact O-CG 3.31Å; Q65-R69 PolarHBondContact O-N 3.13Å; Q65-R197 VanDerWaalsContact NE2-NH2 3.11Å
66L95Very high93.8Very high81 Ų8154.1 Ų54.142%0.42427%0.267SS..Hα-helixtrans-63.2-44.9175.5-168.6161.1000110.7H62 K63 L64 R69 A70 I165H62-L66 WeakPolarHBondContact O-CB 3.43Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.08Å; K63-L66 PolarHBondContact O-N 3.11Å; L64-L66 PolarHBondContact O-N 3.06Å; L66-R69 PolarHBondContact O-N 3.28Å; L66-A70 PolarHBondContact O-N 2.88Å; L66-I165 HydrophobicContact CD2-CD1 3.41Å; L66-I165 VanDerWaalsContact CD2-CD1 3.41Å; L66-I165 HydrophobicContact CD2-CG1 3.73Å; L66-I165 HydrophobicContact CD2-CG2 3.98Å
67A96.1Very high93.7Very high0 Ų054.5 Ų54.50%027%0.272CS..Hα-helixtrans-62.6-44.1174.400000112.9K63 L64 R69 A70 I71 I151 I165 I167K63-A67 WeakPolarHBondContact O-CB 3.15Å; K63-A67 PolarHBondContact O-N 2.86Å; L64-A67 PolarHBondContact O-N 2.88Å; A67-R69 VanDerWaalsContact C-N 3.29Å; A67-R69 PolarHBondContact O-N 2.83Å; A67-A70 WeakPolarHBondContact O-CB 3.46Å; A67-A70 PolarHBondContact O-N 2.78Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.37Å; A67-I151 HydrophobicContact CB-CD1 3.91Å; A67-I151 HydrophobicContact CB-CG2 3.79Å; A67-I165 HydrophobicContact CB-CG2 4.17Å; A67-I167 HydrophobicContact CB-CD1 3.59Å; A67-I167 HydrophobicContact CB-CG1 4.14Å
68A94.5Very high93.8Very high1 Ų155.7 Ų55.71%0.00829%0.285CS..Hα-helixtrans-60.2-38.617700000112.2L64 Q65 I71 A72 E187 V188L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 3.27Å; Q65-A68 PolarHBondContact O-N 3.33Å; A68-I71 PolarHBondContact O-N 2.9Å; A68-A72 VanDerWaalsContact O-CB 3.3Å; A68-A72 WeakPolarHBondContact O-CB 3.21Å; A68-A72 PolarHBondContact O-N 3.43Å; A68-E187 HydrophobicContact CB-CB 3.67Å; A68-V188 HydrophobicContact CB-CG2 3.95Å
69R94.5Very high93.8Very high139 Ų13951.3 Ų51.353%0.52527%0.273SS..Hα-helixtrans-65.6-40.7173.1-71.6173.3-177.1-174.51.7112.8Q65 L66 A67 A72 A73 V191Q65-R69 WeakPolarHBondContact O-CG 3.31Å; Q65-R69 PolarHBondContact O-N 3.13Å; L66-R69 PolarHBondContact O-N 3.28Å; A67-R69 VanDerWaalsContact C-N 3.29Å; A67-R69 PolarHBondContact O-N 2.83Å; R69-A72 PolarHBondContact O-N 3.32Å; R69-A73 PolarHBondContact O-N 3.39Å; R69-A73 VanDerWaalsContact O-N 3.11Å; R69-V191 HydrophobicContact CG-CG1 4.38Å; R69-V191 HydrophobicContact CG-CG2 4.32Å
70A95.2Very high94Very high30 Ų3047.1 Ų47.125%0.24826%0.255CS..Hα-helixtrans-63.4-43.3175.800000111.8L66 A67 A73 L127 I151 I165L66-A70 PolarHBondContact O-N 2.88Å; A67-A70 WeakPolarHBondContact O-CB 3.46Å; A67-A70 PolarHBondContact O-N 2.78Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A70-A73 PolarHBondContact O-N 3.03Å; A70-L127 HydrophobicContact CB-CD1 4.31Å; A70-I151 HydrophobicContact CB-CD1 4.1Å; A70-I165 HydrophobicContact CB-CD1 4Å
71I95.5Very high94Very high1 Ų147.1 Ų47.11%0.00526%0.255CS..Hα-helixtrans-68.2-34177.4-73.5160000112.3A67 A68 A73 I80 L127 V129 I151 L184 V188A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.37Å; A68-I71 PolarHBondContact O-N 2.9Å; I71-A73 VanDerWaalsContact C-N 3.32Å; I71-I80 HydrophobicContact CG2-CD1 3.8Å; I71-I80 WeakPolarHBondContact O-CD1 3.49Å; I71-L127 HydrophobicContact CD1-CD2 4.47Å; I71-L127 HydrophobicContact CG1-CD1 4.23Å; I71-L127 HydrophobicContact CG1-CD2 3.77Å; I71-V129 HydrophobicContact CD1-CG2 3.83Å; I71-V129 HydrophobicContact CG1-CG2 4.33Å; I71-I151 HydrophobicContact CD1-CD1 4.03Å; I71-I151 HydrophobicContact CG1-CD1 4.07Å; I71-L184 HydrophobicContact CD1-CD2 3.58Å; I71-V188 HydrophobicContact CB-CG2 3.96Å; I71-V188 HydrophobicContact CG2-CB 4.36Å; I71-V188 HydrophobicContact CG2-CG1 3.82Å; I71-V188 HydrophobicContact CG2-CG2 3.52Å
72A92.9Very high94.1Very high26 Ų2647.1 Ų47.122%0.21526%0.255CS..Hα-helixtrans-74.9-19.1174.900000113.7A68 R69 V74 V191 R192A68-A72 VanDerWaalsContact O-CB 3.3Å; A68-A72 WeakPolarHBondContact O-CB 3.21Å; A68-A72 PolarHBondContact O-N 3.43Å; R69-A72 PolarHBondContact O-N 3.32Å; A72-V74 VanDerWaalsContact C-N 3.33Å; A72-V191 HydrophobicContact CB-CB 4Å; A72-V191 HydrophobicContact CB-CG1 3.48Å; A72-V191 VanDerWaalsContact CB-CG1 3.48Å; A72-R192 HydrophobicContact CB-CG 4.18Å
73A94.1Very high94.2Very high80 Ų8043 Ų4366%0.66124%0.236SC*.THydrogen-bonded Turntrans-77.6-17.1177.200000113.6R69 A70 I71 K75R69-A73 PolarHBondContact O-N 3.39Å; R69-A73 VanDerWaalsContact O-N 3.11Å; A70-A73 PolarHBondContact O-N 3.03Å; I71-A73 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 3.13Å
74V93.1Very high94.2Very high27 Ų2740.7 Ų40.716%0.16423%0.226CC..  trans-74122.4175.4-175.10000109.4A72 N76 I80 S126 L127A72-V74 VanDerWaalsContact C-N 3.33Å; V74-N76 VanDerWaalsContact CG1-O 3.31Å; V74-N76 WeakPolarHBondContact CG1-O 3.35Å; V74-N76 PolarHBondContact O-N 3Å; V74-I80 HydrophobicContact CB-CD1 3.89Å; V74-I80 HydrophobicContact CB-CG1 4.08Å; V74-I80 HydrophobicContact CG1-CD1 4.26Å; V74-I80 HydrophobicContact CG1-CG1 3.93Å; V74-I80 HydrophobicContact CG2-CD1 4.08Å; V74-I80 HydrophobicContact CG2-CG1 4.17Å; V74-S126 VanDerWaalsContact CG1-OG 3.23Å; V74-S126 WeakPolarHBondContact CG1-OG 3.44Å; V74-L127 HydrophobicContact CG2-CB 4.13Å; V74-L127 HydrophobicContact CG2-CD1 4.15Å
75K90.7Very high94.1Very high203 Ų20342.5 Ų42.588%0.88324%0.241SC*.SBendtrans-61.8-42.7-175.9-64-179.8-1791770113.1A73A73-K75 PolarHBondContact O-N 3.13Å
76N93.2Very high93.9Very high90 Ų9044.7 Ų44.748%0.48125%0.249SC..  trans-104.9115-179-67-15.1000109V74 A78 D79V74-N76 VanDerWaalsContact CG1-O 3.31Å; V74-N76 WeakPolarHBondContact CG1-O 3.35Å; V74-N76 PolarHBondContact O-N 3Å; N76-A78 VanDerWaalsContact C-N 3.27Å; N76-A78 PolarHBondContact O-N 3.14Å; N76-D79 HydrophobicContact CB-CB 4.22Å; N76-D79 WeakPolarHBondContact CB-OD2 3.47Å; N76-D79 PolarHBondContact ND2-OD2 3.32Å; N76-D79 PolarHBondContact O-N 3.14Å
77P92.1Very high93.7Very high48 Ų4845.5 Ų45.531%0.31225%0.252SS..G310 helixtrans-64.1-31.417923.9-32.8000113.1D79 I80 T100 G101 A102P77-D79 PolarHBondContact O-N 3.07Å; P77-I80 WeakPolarHBondContact O-CB 3.45Å; P77-I80 WeakPolarHBondContact O-CG1 3.29Å; P77-I80 PolarHBondContact O-N 2.94Å; P77-T100 WeakPolarHBondContact CB-O 3.39Å; P77-G101 CarbonylContact C-O 3.4Å; P77-A102 WeakPolarHBondContact O-CA 3.35Å
78A93.3Very high93.5Very high49 Ų4949.1 Ų49.141%0.40527%0.266SS..G310 helixtrans-63.1-30.5-178.800000113.2N76 I80 G101 T103N76-A78 VanDerWaalsContact C-N 3.27Å; N76-A78 PolarHBondContact O-N 3.14Å; A78-I80 PolarHBondContact O-N 3.26Å; A78-I80 VanDerWaalsContact O-N 3.11Å; A78-G101 VanDerWaalsContact CA-O 3.28Å; A78-G101 WeakPolarHBondContact CA-O 3.21Å; A78-G101 PolarHBondContact N-O 2.73Å; A78-T103 WeakPolarHBondContact O-CG2 3.3Å; A78-T103 PolarHBondContact O-OG1 2.96Å
79D93.6Very high93.2Very high65 Ų6549 Ų4935%0.34827%0.265SS..G310 helixtrans-76.77.8-179.7-55-12.4000111.9N76 P77 P125 S126N76-D79 HydrophobicContact CB-CB 4.22Å; N76-D79 WeakPolarHBondContact CB-OD2 3.47Å; N76-D79 PolarHBondContact ND2-OD2 3.32Å; N76-D79 PolarHBondContact O-N 3.14Å; P77-D79 PolarHBondContact O-N 3.07Å; D79-P125 CarbonylContact O-C 3.53Å; D79-P125 WeakPolarHBondContact O-CA 3.47Å; D79-P125 WeakPolarHBondContact O-CB 3.46Å; D79-S126 PolarHBondContact O-N 3.37Å; D79-S126 PolarHBondContact O-OG 2.94Å
80I95.3Very high93.2Very high1 Ų145.5 Ų45.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-100.4121.2172.8-51.7-179.4000108I71 V74 P77 A78 V82 A102 T103 L127 V129I71-I80 HydrophobicContact CG2-CD1 3.8Å; I71-I80 WeakPolarHBondContact O-CD1 3.49Å; V74-I80 HydrophobicContact CB-CD1 3.89Å; V74-I80 HydrophobicContact CB-CG1 4.08Å; V74-I80 HydrophobicContact CG1-CD1 4.26Å; V74-I80 HydrophobicContact CG1-CG1 3.93Å; V74-I80 HydrophobicContact CG2-CD1 4.08Å; V74-I80 HydrophobicContact CG2-CG1 4.17Å; P77-I80 WeakPolarHBondContact O-CB 3.45Å; P77-I80 WeakPolarHBondContact O-CG1 3.29Å; P77-I80 PolarHBondContact O-N 2.94Å; A78-I80 PolarHBondContact O-N 3.26Å; A78-I80 VanDerWaalsContact O-N 3.11Å; I80-V82 HydrophobicContact CG2-CG2 4.46Å; I80-A102 HydrophobicContact CB-CB 4.11Å; I80-A102 HydrophobicContact CG2-CB 4.37Å; I80-T103 PolarHBondContact O-N 3.11Å; I80-T103 PolarHBondContact O-OG1 2.84Å; I80-L127 WeakPolarHBondContact CA-O 3.48Å; I80-L127 HydrophobicContact CG2-CB 4.44Å; I80-L127 HydrophobicContact CG2-CD2 3.94Å; I80-V129 HydrophobicContact CG2-CG2 4.26Å
81C95.2Very high93.1Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-102.5140177.6-170.70000112T103 I105 P125 L127 L128 V129C81-T103 WeakPolarHBondContact CA-O 3.42Å; C81-I105 WeakPolarHBondContact SG-CD1 3.36Å; C81-P125 HydrophobicContact CB-CB 3.45Å; C81-P125 VanDerWaalsContact CB-CB 3.45Å; C81-P125 HydrophobicContact CB-CG 3.68Å; C81-L127 PolarHBondContact N-O 3.46Å; C81-L128 CarbonylContact O-C 3.36Å; C81-L128 WeakPolarHBondContact O-CA 3.45Å; C81-V129 PolarHBondContact O-N 2.96Å
82V96.1Very high93.1Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-131.2120.7-169.9-166.20000109.1I80 I93 F96 A102 T103 I105 V129 W181I80-V82 HydrophobicContact CG2-CG2 4.46Å; V82-I93 HydrophobicContact CB-CG2 3.91Å; V82-I93 HydrophobicContact CG1-CB 4.24Å; V82-I93 HydrophobicContact CG1-CD1 3.95Å; V82-I93 HydrophobicContact CG1-CG1 3.77Å; V82-I93 HydrophobicContact CG1-CG2 3.72Å; V82-I93 WeakPolarHBondContact O-CG2 3.32Å; V82-F96 HydrophobicContact CB-CD1 4.47Å; V82-F96 HydrophobicContact CG1-CD1 3.95Å; V82-F96 HydrophobicContact CG1-CE1 4.4Å; V82-F96 HydrophobicContact CG2-CD1 3.87Å; V82-F96 HydrophobicContact CG2-CE1 3.82Å; V82-A102 HydrophobicContact CG2-CB 3.67Å; V82-T103 PolarHBondContact N-O 3.33Å; V82-I105 PolarHBondContact O-N 2.93Å; V82-V129 WeakPolarHBondContact CA-O 3.39Å; V82-V129 HydrophobicContact CG1-CB 4.4Å; V82-W181 HydrophobicContact CG1-CE3 4.27Å; V82-W181 HydrophobicContact CG1-CH2 3.18Å; V82-W181 HydrophobicContact CG1-CZ2 4.02Å; V82-W181 HydrophobicContact CG1-CZ3 3.33Å
83I95.2Very high93.2Very high0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-129.5134.3-161.3-47.6178.7000112.8I93 I105 F109 F114 L128 V129 C131 A139I83-I93 VanDerWaalsContact O-CD1 3.31Å; I83-I93 WeakPolarHBondContact O-CD1 3.28Å; I83-I105 WeakPolarHBondContact CA-O 3.15Å; I83-I105 HydrophobicContact CG1-CB 4.35Å; I83-F109 HydrophobicContact CD1-CD2 4.22Å; I83-F109 HydrophobicContact CD1-CE2 4.16Å; I83-F109 HydrophobicContact CG2-CD2 4.32Å; I83-F114 HydrophobicContact CD1-CE2 4.31Å; I83-F114 HydrophobicContact CD1-CZ 3.84Å; I83-L128 HydrophobicContact CD1-CD1 3.56Å; I83-L128 HydrophobicContact CD1-CD2 4.36Å; I83-L128 HydrophobicContact CD1-CG 3.9Å; I83-V129 PolarHBondContact N-O 3.42Å; I83-C131 PolarHBondContact O-N 3.49Å; I83-C131 VanDerWaalsContact O-N 3.11Å; I83-A139 HydrophobicContact CD1-CB 3.61Å
84S94.6Very high93.2Very high0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-152114.3167.3-178.10000111.9R86 I105 G107 C131S84-R86 VanDerWaalsContact C-N 3.33Å; S84-R86 PolarHBondContact OG-N 3.04Å; S84-R86 PolarHBondContact OG-O 3.25Å; S84-I105 PolarHBondContact N-O 3.42Å; S84-G107 PolarHBondContact O-N 3.3Å; S84-C131 VanDerWaalsContact CB-SG 3.5Å; S84-C131 WeakPolarHBondContact OG-CB 3.49Å; S84-C131 PolarHBondContact OG-SG 2.65Å; S84-C131 VanDerWaalsContact OG-SG 3.42Å
85A92.7Very high93.3Very high39 Ų3948.9 Ų48.932%0.32224%0.243SC..  trans-70-30.9163.500000112.1M87 G107 D136A85-M87 PolarHBondContact O-N 3.08Å; A85-G107 WeakPolarHBondContact CA-O 3.41Å; A85-D136 WeakPolarHBondContact CB-OD1 3.36Å; A85-D136 PolarHBondContact N-OD1 3.4Å
86R89.8Confident93.5Very high58 Ų5839.2 Ų39.222%0.21920%0.201CC..SBendtrans-63.3129.1178.1-81.4-156.2167.4108.832.5112.1S84 Y88 G89 Q90 D132 T135 N171S84-R86 VanDerWaalsContact C-N 3.33Å; S84-R86 PolarHBondContact OG-N 3.04Å; S84-R86 PolarHBondContact OG-O 3.25Å; R86-Y88 VanDerWaalsContact C-N 3.27Å; R86-Y88 PolarHBondContact O-N 2.9Å; R86-G89 PolarHBondContact O-N 3.46Å; R86-Q90 PolarHBondContact O-N 3.29Å; R86-D132 IonicContact CZ-OD2 3.82Å; R86-D132 IonicContact NH1-OD2 3.15Å; R86-D132 PolarHBondContact NH1-OD2 3.09Å; R86-D132 IonicContact NH2-OD2 2.69Å; R86-D132 PolarHBondContact NH2-OD2 3.17Å; R86-T135 HydrophobicContact CG-CG2 4.16Å; R86-N171 PolarHBondContact NH1-O 3.44Å; R86-N171 PolarHBondContact NH1-OD1 3.13Å
87M90.9Very high93.5Very high99 Ų9935.3 Ų35.349%0.48818%0.182SC..Hα-helixtrans-46.6-48.3172.859-175.668.400112.5A85 G89 Q90 Y217A85-M87 PolarHBondContact O-N 3.08Å; M87-G89 PolarHBondContact O-N 2.71Å; M87-G89 VanDerWaalsContact O-N 3.09Å; M87-Q90 PolarHBondContact O-N 2.63Å; M87-Q90 VanDerWaalsContact O-N 3.08Å; M87-Y217 HydrophobicContact CB-CE2 4.13Å; M87-Y217 VanDerWaalsContact O-CD2 3.23Å; M87-Y217 WeakPolarHBondContact O-CD2 3.49Å
88Y90.4Very high93.6Very high75 Ų7538.4 Ų38.429%0.29420%0.195SC..Hα-helixtrans-60.9-24.6-177.6-53.4-41.7000114.6R86 P174 I177 Y217R86-Y88 VanDerWaalsContact C-N 3.27Å; R86-Y88 PolarHBondContact O-N 2.9Å; Y88-P174 HydrophobicContact CD1-CB 3.97Å; Y88-P174 HydrophobicContact CG-CB 4.04Å; Y88-I177 HydrophobicContact CD2-CD1 4.41Å; Y88-Y217 AromaticContact CD1-CD1 3.56Å; Y88-Y217 HydrophobicContact CD1-CD1 3.56Å; Y88-Y217 HydrophobicContact CD1-CE1 4.03Å; Y88-Y217 AromaticContact CD1-CG 3.92Å; Y88-Y217 HydrophobicContact CD1-CG 3.92Å; Y88-Y217 AromaticContact CE1-CD1 4Å; Y88-Y217 HydrophobicContact CE1-CD1 4Å; Y88-Y217 HydrophobicContact CE1-CE1 4.15Å
89G90.1Very high93.5Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-93.3-14178.900000114.7R86 M87 A92 I93R86-G89 PolarHBondContact O-N 3.46Å; M87-G89 PolarHBondContact O-N 2.71Å; M87-G89 VanDerWaalsContact O-N 3.09Å; G89-A92 PolarHBondContact O-N 3.4Å; G89-I93 WeakPolarHBondContact O-CG1 3.49Å; G89-I93 PolarHBondContact O-N 3.04Å
90Q92.7Very high93.4Very high65 Ų6534.1 Ų34.130%0.30417%0.165SC..Hα-helixtrans-62.5-50.1-171.9-68.6174.29.400112.1R86 M87 I93 L94 A106R86-Q90 PolarHBondContact O-N 3.29Å; M87-Q90 PolarHBondContact O-N 2.63Å; M87-Q90 VanDerWaalsContact O-N 3.08Å; Q90-I93 PolarHBondContact O-N 3.5Å; Q90-L94 WeakPolarHBondContact O-CG 3.48Å; Q90-L94 PolarHBondContact O-N 3.44Å; Q90-L94 VanDerWaalsContact O-N 3.17Å; Q90-A106 HydrophobicContact CB-CB 4.19Å; Q90-A106 HydrophobicContact CG-CB 4.22Å
91R93.6Very high93.3Very high89 Ų8935.8 Ų35.834%0.33618%0.183SC..Hα-helixtrans-63.6-42.8177-172.7167.5-177.1-125.410.7111.7I93 L94 K95 D213 F216R91-I93 VanDerWaalsContact C-N 3.34Å; R91-I93 PolarHBondContact O-N 3.42Å; R91-L94 PolarHBondContact O-N 3.34Å; R91-K95 WeakPolarHBondContact O-CG 3.15Å; R91-K95 PolarHBondContact O-N 3.43Å; R91-D213 PolarHBondContact NH1-O 2.69Å; R91-F216 WeakPolarHBondContact CD-O 3.26Å; R91-F216 PolarHBondContact NH1-O 3.17Å
92A94.7Very high93.3Very high0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-58.5-43.9179.100000112.3G89 K95 F96 W181 Y215G89-A92 PolarHBondContact O-N 3.4Å; A92-K95 PolarHBondContact O-N 2.78Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.82Å; A92-W181 HydrophobicContact CB-CB 4Å; A92-W181 HydrophobicContact CB-CG 3.82Å; A92-Y215 WeakPolarHBondContact CA-O 3.46Å; A92-Y215 HydrophobicContact CB-CD1 4.22Å; A92-Y215 VanDerWaalsContact CB-O 3.31Å; A92-Y215 WeakPolarHBondContact CB-O 3.46Å; A92-Y215 VanDerWaalsContact O-CD1 3.32Å; A92-Y215 WeakPolarHBondContact O-CD1 3.49Å
93I95.2Very high93.2Very high0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-69.7-40.8179.3-74.4-177.7000112.5V82 I83 G89 Q90 R91 K95 F96 A97 A104 W181V82-I93 HydrophobicContact CB-CG2 3.91Å; V82-I93 HydrophobicContact CG1-CB 4.24Å; V82-I93 HydrophobicContact CG1-CD1 3.95Å; V82-I93 HydrophobicContact CG1-CG1 3.77Å; V82-I93 HydrophobicContact CG1-CG2 3.72Å; V82-I93 WeakPolarHBondContact O-CG2 3.32Å; I83-I93 VanDerWaalsContact O-CD1 3.31Å; I83-I93 WeakPolarHBondContact O-CD1 3.28Å; G89-I93 WeakPolarHBondContact O-CG1 3.49Å; G89-I93 PolarHBondContact O-N 3.04Å; Q90-I93 PolarHBondContact O-N 3.5Å; R91-I93 VanDerWaalsContact C-N 3.34Å; R91-I93 PolarHBondContact O-N 3.42Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.15Å; I93-F96 PolarHBondContact O-N 2.98Å; I93-A97 VanDerWaalsContact O-CB 3.3Å; I93-A97 WeakPolarHBondContact O-CB 3.42Å; I93-A97 PolarHBondContact O-N 3.33Å; I93-A104 HydrophobicContact CG2-CB 3.68Å; I93-W181 HydrophobicContact CD1-CH2 4.24Å; I93-W181 HydrophobicContact CD1-CZ2 3.64Å; I93-W181 HydrophobicContact CG1-CD2 4.14Å; I93-W181 HydrophobicContact CG1-CH2 4.08Å; I93-W181 HydrophobicContact CG1-CZ2 3.54Å
94L94.9Very high93.3Very high85 Ų8539.6 Ų39.645%0.44521%0.21SC..Hα-helixtrans-62.1-39.4175.9-68.9168.5000111.3Q90 R91 N98 A104 A106Q90-L94 WeakPolarHBondContact O-CG 3.48Å; Q90-L94 PolarHBondContact O-N 3.44Å; Q90-L94 VanDerWaalsContact O-N 3.17Å; R91-L94 PolarHBondContact O-N 3.34Å; L94-N98 PolarHBondContact O-N 3.1Å; L94-N98 VanDerWaalsContact O-N 3.13Å; L94-N98 PolarHBondContact O-OD1 2.81Å; L94-A104 HydrophobicContact CD2-CB 3.88Å; L94-A106 HydrophobicContact CD1-CB 4.47Å; L94-A106 HydrophobicContact CD2-CB 4.46Å; L94-A106 HydrophobicContact CG-CB 4.36Å
95K94.3Very high93.2Very high60 Ų6040.9 Ų40.926%0.26122%0.216SC..Hα-helixtrans-69-42.4173.3-65-61.4-174.8177.50112.2R91 A92 I93 A97 N98 H99 L214 Y215R91-K95 WeakPolarHBondContact O-CG 3.15Å; R91-K95 PolarHBondContact O-N 3.43Å; A92-K95 PolarHBondContact O-N 2.78Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.15Å; K95-A97 PolarHBondContact O-N 3.47Å; K95-N98 PolarHBondContact O-N 3.08Å; K95-H99 PolarHBondContact O-CE1 3.28Å; K95-H99 VanDerWaalsContact O-CE1 3.32Å; K95-H99 VanDerWaalsContact O-CG 3.27Å; K95-H99 PolarHBondContact O-N 3.26Å; K95-H99 VanDerWaalsContact O-N 3.14Å; K95-H99 PolarHBondContact O-ND1 2.84Å; K95-L214 HydrophobicContact CD-CD1 4.37Å; K95-L214 HydrophobicContact CD-CD2 4.09Å; K95-L214 HydrophobicContact CD-CG 3.94Å; K95-L214 HydrophobicContact CG-CG 4.2Å; K95-Y215 HydrophobicContact CB-CD1 4.03Å; K95-Y215 HydrophobicContact CB-CD2 4.38Å; K95-Y215 HydrophobicContact CB-CE1 3.98Å; K95-Y215 HydrophobicContact CB-CE2 4.32Å; K95-Y215 HydrophobicContact CB-CG 4.27Å
96F94.8Very high93.3Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-57-47.4174.6-179.8-90.8000112.2V82 A92 I93 H99 T100 A102 W181 L184 A185 Y215V82-F96 HydrophobicContact CB-CD1 4.47Å; V82-F96 HydrophobicContact CG1-CD1 3.95Å; V82-F96 HydrophobicContact CG1-CE1 4.4Å; V82-F96 HydrophobicContact CG2-CD1 3.87Å; V82-F96 HydrophobicContact CG2-CE1 3.82Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.82Å; I93-F96 PolarHBondContact O-N 2.98Å; F96-H99 PolarHBondContact O-N 3.13Å; F96-T100 HydrophobicContact CD2-CG2 4.2Å; F96-T100 HydrophobicContact CE1-CG2 4.09Å; F96-T100 WeakPolarHBondContact CE1-OG1 3.42Å; F96-T100 HydrophobicContact CE2-CG2 3.71Å; F96-T100 HydrophobicContact CZ-CG2 3.66Å; F96-T100 WeakPolarHBondContact O-CB 3.41Å; F96-T100 PolarHBondContact O-N 3.29Å; F96-T100 PolarHBondContact O-OG1 3.23Å; F96-A102 HydrophobicContact CD1-CB 4.46Å; F96-A102 HydrophobicContact CE1-CB 4.12Å; F96-W181 HydrophobicContact CB-CE3 4Å; F96-W181 HydrophobicContact CD1-CE3 4.19Å; F96-W181 HydrophobicContact CD1-CZ3 4.09Å; F96-W181 AromaticContact CD2-CE3 3.67Å; F96-W181 HydrophobicContact CD2-CE3 3.67Å; F96-W181 HydrophobicContact CD2-CZ3 4.22Å; F96-W181 HydrophobicContact CE1-CZ3 4.33Å; F96-W181 HydrophobicContact CE2-CE3 4.24Å; F96-W181 HydrophobicContact CE2-CZ3 4.47Å; F96-W181 AromaticContact CG-CE3 3.66Å; F96-W181 HydrophobicContact CG-CE3 3.66Å; F96-W181 HydrophobicContact CG-CZ3 4.04Å; F96-L184 HydrophobicContact CE2-CB 4.36Å; F96-L184 HydrophobicContact CE2-CD2 3.44Å; F96-L184 VanDerWaalsContact CE2-CD2 3.44Å; F96-L184 HydrophobicContact CE2-CG 4.46Å; F96-L184 HydrophobicContact CZ-CD2 3.66Å; F96-A185 HydrophobicContact CD2-CB 3.76Å; F96-A185 HydrophobicContact CE2-CB 4Å; F96-Y215 HydrophobicContact CB-CE1 4.06Å
97A94.9Very high93.4Very high9 Ų938.9 Ų38.97%0.07421%0.214CC..Hα-helixtrans-57.1-4917600000111.8I93 K95 H99 T100 G101 A102 A104I93-A97 VanDerWaalsContact O-CB 3.3Å; I93-A97 WeakPolarHBondContact O-CB 3.42Å; I93-A97 PolarHBondContact O-N 3.33Å; K95-A97 PolarHBondContact O-N 3.47Å; A97-H99 VanDerWaalsContact C-N 3.3Å; A97-H99 PolarHBondContact O-N 3.4Å; A97-T100 PolarHBondContact O-N 2.9Å; A97-G101 WeakPolarHBondContact O-CA 3.37Å; A97-G101 PolarHBondContact O-N 3.21Å; A97-A102 WeakPolarHBondContact CA-O 3.42Å; A97-A102 WeakPolarHBondContact CB-O 3.12Å; A97-A102 PolarHBondContact O-N 3.45Å; A97-A104 HydrophobicContact CB-CB 3.92Å
98N93.4Very high93.5Very high112 Ų11243.3 Ų43.360%0.59923%0.225SC*.Hα-helixtrans-61.4-33.8179.8-70.6-1.9000113.8L94 K95L94-N98 PolarHBondContact O-N 3.1Å; L94-N98 VanDerWaalsContact O-N 3.13Å; L94-N98 PolarHBondContact O-OD1 2.81Å; K95-N98 PolarHBondContact O-N 3.08Å
99H91.9Very high93.6Very high19 Ų1940.5 Ų40.59%0.08821%0.214CC..Hα-helixtrans-86.6-32.9-179.3-52.4139.5000113.2K95 F96 A97 F203 F205 I210 Y215K95-H99 PolarHBondContact O-CE1 3.28Å; K95-H99 VanDerWaalsContact O-CE1 3.32Å; K95-H99 VanDerWaalsContact O-CG 3.27Å; K95-H99 PolarHBondContact O-N 3.26Å; K95-H99 VanDerWaalsContact O-N 3.14Å; K95-H99 PolarHBondContact O-ND1 2.84Å; F96-H99 PolarHBondContact O-N 3.13Å; A97-H99 VanDerWaalsContact C-N 3.3Å; A97-H99 PolarHBondContact O-N 3.4Å; H99-F203 HydrophobicContact CB-CZ 4.48Å; H99-F205 HydrophobicContact CB-CD1 4.5Å; H99-F205 HydrophobicContact CB-CE1 4.37Å; H99-F205 HydrophobicContact CB-CE2 4.39Å; H99-F205 HydrophobicContact CB-CZ 4.29Å; H99-F205 AromaticContact CD2-CD1 3.65Å; H99-F205 AromaticContact CD2-CE1 3.68Å; H99-F205 WeakPolarHBondContact O-CE2 3.5Å; H99-F205 WeakPolarHBondContact O-CZ 3.41Å; H99-I210 WeakPolarHBondContact NE2-CD1 3.3Å; H99-Y215 AromaticContact CE1-CE2 3.9Å; H99-Y215 AromaticContact CE1-CZ 3.93Å; H99-Y215 AromaticContact ND1-CE2 3.9Å; H99-Y215 AromaticContact ND1-CZ 3.53Å; H99-Y215 PolarHBondContact ND1-OH 2.97Å
100T91.6Very high93.7Very high5 Ų543.6 Ų43.63%0.03123%0.233CC..Hα-helixtrans-97.9-13.8-176.360.40000114.5P77 F96 A97 A102 A185 V188 L189 R192P77-T100 WeakPolarHBondContact CB-O 3.39Å; F96-T100 HydrophobicContact CD2-CG2 4.2Å; F96-T100 HydrophobicContact CE1-CG2 4.09Å; F96-T100 WeakPolarHBondContact CE1-OG1 3.42Å; F96-T100 HydrophobicContact CE2-CG2 3.71Å; F96-T100 HydrophobicContact CZ-CG2 3.66Å; F96-T100 WeakPolarHBondContact O-CB 3.41Å; F96-T100 PolarHBondContact O-N 3.29Å; F96-T100 PolarHBondContact O-OG1 3.23Å; A97-T100 PolarHBondContact O-N 2.9Å; T100-A102 VanDerWaalsContact C-N 3.34Å; T100-A102 WeakPolarHBondContact OG1-CB 3.39Å; T100-A185 HydrophobicContact CG2-CB 4.33Å; T100-V188 HydrophobicContact CG2-CB 4.43Å; T100-V188 HydrophobicContact CG2-CG1 4.14Å; T100-L189 HydrophobicContact CG2-CD2 4.46Å; T100-R192 PolarHBondContact O-NH1 3Å
101G92.4Very high93.7Very high37 Ų3743.1 Ų43.138%0.38124%0.236SC..  trans80.49.2-172.700000114.6P77 A78 A97P77-G101 CarbonylContact C-O 3.4Å; A78-G101 VanDerWaalsContact CA-O 3.28Å; A78-G101 WeakPolarHBondContact CA-O 3.21Å; A78-G101 PolarHBondContact N-O 2.73Å; A97-G101 WeakPolarHBondContact O-CA 3.37Å; A97-G101 PolarHBondContact O-N 3.21Å
102A95Very high93.7Very high9 Ų939.3 Ų39.37%0.07422%0.224CC..  trans-75.7159.9-179.500000113.3P77 I80 V82 F96 A97 T100P77-A102 WeakPolarHBondContact O-CA 3.35Å; I80-A102 HydrophobicContact CB-CB 4.11Å; I80-A102 HydrophobicContact CG2-CB 4.37Å; V82-A102 HydrophobicContact CG2-CB 3.67Å; F96-A102 HydrophobicContact CD1-CB 4.46Å; F96-A102 HydrophobicContact CE1-CB 4.12Å; A97-A102 WeakPolarHBondContact CA-O 3.42Å; A97-A102 WeakPolarHBondContact CB-O 3.12Å; A97-A102 PolarHBondContact O-N 3.45Å; T100-A102 VanDerWaalsContact C-N 3.34Å; T100-A102 WeakPolarHBondContact OG1-CB 3.39Å
103T95Very high93.6Very high44 Ų4439.6 Ų39.627%0.2723%0.226SC..EExtended strand (participates in β ladder)trans-93.6112.6177.754.40000112.5A78 I80 C81 V82A78-T103 WeakPolarHBondContact O-CG2 3.3Å; A78-T103 PolarHBondContact O-OG1 2.96Å; I80-T103 PolarHBondContact O-N 3.11Å; I80-T103 PolarHBondContact O-OG1 2.84Å; C81-T103 WeakPolarHBondContact CA-O 3.42Å; V82-T103 PolarHBondContact N-O 3.33Å
104A95.4Very high93.6Very high27 Ų2739.8 Ų39.822%0.22323%0.227CC..EExtended strand (participates in β ladder)trans-71.7144.7175.100000113I93 L94 A97 K123I93-A104 HydrophobicContact CG2-CB 3.68Å; L94-A104 HydrophobicContact CD2-CB 3.88Å; A97-A104 HydrophobicContact CB-CB 3.92Å; A104-K123 PolarHBondContact O-NZ 3.47Å
105I94.1Very high93.5Very high26 Ų2639 Ų3913%0.13323%0.226CC..EExtended strand (participates in β ladder)trans-126.699156.4-59.2178.4000106.8C81 V82 I83 S84 F109 T113 K123C81-I105 WeakPolarHBondContact SG-CD1 3.36Å; V82-I105 PolarHBondContact O-N 2.93Å; I83-I105 WeakPolarHBondContact CA-O 3.15Å; I83-I105 HydrophobicContact CG1-CB 4.35Å; S84-I105 PolarHBondContact N-O 3.42Å; I105-F109 HydrophobicContact CD1-CD2 4.32Å; I105-F109 HydrophobicContact CD1-CE2 4.2Å; I105-F109 HydrophobicContact CG2-CD2 4.38Å; I105-T113 HydrophobicContact CD1-CG2 4.05Å; I105-K123 HydrophobicContact CD1-CD 4.38Å
106A93.4Very high93.4Very high45 Ų4539.1 Ų39.137%0.37223%0.229SC..EExtended strand (participates in β ladder)trans-94.3135.6178.300000110.6Q90 L94Q90-A106 HydrophobicContact CB-CB 4.19Å; Q90-A106 HydrophobicContact CG-CB 4.22Å; L94-A106 HydrophobicContact CD1-CB 4.47Å; L94-A106 HydrophobicContact CD2-CB 4.46Å; L94-A106 HydrophobicContact CG-CB 4.36Å
107G92Very high93.3Very high11 Ų1146.4 Ų46.411%0.11326%0.263CS..SBendtrans83.6-150.3178.300000112.9S84 A85 F109S84-G107 PolarHBondContact O-N 3.3Å; A85-G107 WeakPolarHBondContact CA-O 3.41Å; G107-F109 PolarHBondContact O-N 3.35Å; G107-F109 VanDerWaalsContact O-N 3.09Å
108R92.6Very high93.2Very high192 Ų19253.4 Ų53.473%0.72530%0.298SS*.SBendtrans-62.5114.2-172-175.4-178-176.9-79.12.5110.9T110R108-T110 PolarHBondContact O-N 2.94Å
109F92.4Very high93Very high16 Ų1650.5 Ų50.57%0.0728%0.28CS..PPolyproline II helixtrans-61.2132.2168.5-176.2-98.2000110.3I83 I105 G107 P111 T113 F114 Q138 A139I83-F109 HydrophobicContact CD1-CD2 4.22Å; I83-F109 HydrophobicContact CD1-CE2 4.16Å; I83-F109 HydrophobicContact CG2-CD2 4.32Å; I105-F109 HydrophobicContact CD1-CD2 4.32Å; I105-F109 HydrophobicContact CD1-CE2 4.2Å; I105-F109 HydrophobicContact CG2-CD2 4.38Å; G107-F109 PolarHBondContact O-N 3.35Å; G107-F109 VanDerWaalsContact O-N 3.09Å; F109-P111 WeakPolarHBondContact O-CD 3.49Å; F109-T113 HydrophobicContact CE2-CG2 4.22Å; F109-T113 HydrophobicContact CZ-CG2 4.48Å; F109-F114 HydrophobicContact CE2-CD2 4.4Å; F109-F114 HydrophobicContact CE2-CE1 4.24Å; F109-F114 AromaticContact CE2-CE2 3.64Å; F109-F114 HydrophobicContact CE2-CE2 3.64Å; F109-F114 AromaticContact CE2-CZ 3.55Å; F109-F114 HydrophobicContact CE2-CZ 3.55Å; F109-F114 AromaticContact CZ-CD2 3.89Å; F109-F114 HydrophobicContact CZ-CD2 3.89Å; F109-F114 AromaticContact CZ-CE2 3.53Å; F109-F114 HydrophobicContact CZ-CE2 3.53Å; F109-F114 AromaticContact CZ-CZ 3.9Å; F109-F114 HydrophobicContact CZ-CZ 3.9Å; F109-Q138 HydrophobicContact CD1-CB 4.07Å; F109-Q138 HydrophobicContact CD1-CG 3.69Å; F109-Q138 HydrophobicContact CE1-CG 3.93Å; F109-A139 HydrophobicContact CD1-CB 4.22Å; F109-A139 HydrophobicContact CD2-CB 3.9Å; F109-A139 HydrophobicContact CE1-CB 4.14Å; F109-A139 HydrophobicContact CE2-CB 3.83Å; F109-A139 HydrophobicContact CG-CB 4.09Å; F109-A139 HydrophobicContact CZ-CB 3.94Å
110T92.8Very high92.9Very high64 Ų6460.4 Ų60.439%0.39332%0.323SS..PPolyproline II helixtrans-87.5118.5177.4-64.70000109.1R108 G112 T113R108-T110 PolarHBondContact O-N 2.94Å; T110-G112 PolarHBondContact O-N 2.91Å; T110-T113 WeakPolarHBondContact O-CB 3.3Å; T110-T113 PolarHBondContact O-N 2.89Å; T110-T113 PolarHBondContact O-OG1 2.96Å
111P93.3Very high92.8Very high56 Ų5662.7 Ų62.736%0.36434%0.343SS..THydrogen-bonded Turntrans-58.6135.5176.7-24.334.6000111.7F109 Q119 Q138 E142F109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-Q119 PolarHBondContact O-NE2 3.36Å; P111-Q138 HydrophobicContact CB-CG 4.4Å; P111-Q138 HydrophobicContact CG-CG 4.22Å; P111-E142 VanDerWaalsContact CA-OE1 3.24Å; P111-E142 WeakPolarHBondContact CA-OE1 3.13Å
112G92.7Very high92.8Very high9 Ų963.7 Ų63.79%0.09334%0.337CS..THydrogen-bonded Turntrans90.92.9-175.600000115.1T110 F114 T115 N116 E142T110-G112 PolarHBondContact O-N 2.91Å; G112-F114 PolarHBondContact O-N 2.81Å; G112-F114 VanDerWaalsContact O-N 3.16Å; G112-T115 PolarHBondContact O-N 3.06Å; G112-N116 WeakPolarHBondContact O-CB 3.44Å; G112-N116 PolarHBondContact O-N 3.09Å; G112-E142 VanDerWaalsContact CA-OE2 3.31Å; G112-E142 WeakPolarHBondContact CA-OE2 3.34Å; G112-E142 PolarHBondContact N-OE1 2.83Å; G112-E142 PolarHBondContact N-OE2 2.98Å
113T93.8Very high92.6Very high5 Ų566.4 Ų66.43%0.03135%0.347CS..THydrogen-bonded Turntrans-56.4-32.9-179.6-64.40000112.3I105 F109 T110 F122 K123 E142I105-T113 HydrophobicContact CD1-CG2 4.05Å; F109-T113 HydrophobicContact CE2-CG2 4.22Å; F109-T113 HydrophobicContact CZ-CG2 4.48Å; T110-T113 WeakPolarHBondContact O-CB 3.3Å; T110-T113 PolarHBondContact O-N 2.89Å; T110-T113 PolarHBondContact O-OG1 2.96Å; T113-F122 WeakPolarHBondContact O-CA 3.34Å; T113-K123 HydrophobicContact CG2-CB 4.46Å; T113-K123 PolarHBondContact O-N 3.08Å; T113-E142 PolarHBondContact N-OE2 3.14Å
114F93.9Very high92.4Very high4 Ų470.7 Ų70.72%0.01836%0.364CS..THydrogen-bonded Turntrans-101.1-12.2-179.6-52.6-38.9000114.4I83 F109 G112 K123 P125 L128 A139 E142 V146 I148I83-F114 HydrophobicContact CD1-CE2 4.31Å; I83-F114 HydrophobicContact CD1-CZ 3.84Å; F109-F114 HydrophobicContact CE2-CD2 4.4Å; F109-F114 HydrophobicContact CE2-CE1 4.24Å; F109-F114 AromaticContact CE2-CE2 3.64Å; F109-F114 HydrophobicContact CE2-CE2 3.64Å; F109-F114 AromaticContact CE2-CZ 3.55Å; F109-F114 HydrophobicContact CE2-CZ 3.55Å; F109-F114 AromaticContact CZ-CD2 3.89Å; F109-F114 HydrophobicContact CZ-CD2 3.89Å; F109-F114 AromaticContact CZ-CE2 3.53Å; F109-F114 HydrophobicContact CZ-CE2 3.53Å; F109-F114 AromaticContact CZ-CZ 3.9Å; F109-F114 HydrophobicContact CZ-CZ 3.9Å; G112-F114 PolarHBondContact O-N 2.81Å; G112-F114 VanDerWaalsContact O-N 3.16Å; F114-K123 WeakPolarHBondContact CD1-O 3.38Å; F114-P125 HydrophobicContact CD1-CG 3.96Å; F114-P125 HydrophobicContact CE1-CG 3.61Å; F114-P125 HydrophobicContact CZ-CG 4.16Å; F114-L128 HydrophobicContact CD2-CD1 4.31Å; F114-L128 HydrophobicContact CE2-CD1 3.28Å; F114-L128 HydrophobicContact CZ-CD1 3.41Å; F114-L128 VanDerWaalsContact CZ-CD1 3.41Å; F114-A139 HydrophobicContact CE2-CB 4.23Å; F114-E142 HydrophobicContact CB-CB 4.46Å; F114-E142 HydrophobicContact CD2-CB 3.87Å; F114-V146 HydrophobicContact CB-CG2 4.39Å; F114-I148 HydrophobicContact CB-CD1 4.44Å; F114-I148 HydrophobicContact CG-CD1 4.4Å
115T93Very high92.4Very high69 Ų6969.7 Ų69.742%0.42336%0.355SS..THydrogen-bonded Turntrans-118.5-24.1-171.455.90000114.1G112 Y145 V146G112-T115 PolarHBondContact O-N 3.06Å; T115-Y145 HydrophobicContact CG2-CD2 4.23Å; T115-V146 HydrophobicContact CG2-CG2 3.91Å
116N93.3Very high92.4Very high62 Ų6271 Ų7133%0.33237%0.366SS..  trans-104.695.7-174.8-174-8.4000111.8G112 I118 Q119 F122G112-N116 WeakPolarHBondContact O-CB 3.44Å; G112-N116 PolarHBondContact O-N 3.09Å; N116-I118 PolarHBondContact O-N 3.21Å; N116-I118 WeakPolarHBondContact OD1-CB 3.47Å; N116-I118 PolarHBondContact OD1-N 2.89Å; N116-I118 VanDerWaalsContact OD1-N 3.08Å; N116-Q119 HydrophobicContact CB-CG 4.01Å; N116-Q119 PolarHBondContact O-N 3.32Å; N116-Q119 VanDerWaalsContact O-N 3.08Å; N116-F122 WeakPolarHBondContact O-CD2 3.34Å
117Q91.9Very high92.5Very high153 Ų15369.3 Ų69.372%0.71535%0.351SS*.THydrogen-bonded Turntrans-59.2-15.8179.4-65.5173.5-8.200114.7F122Q117-F122 HydrophobicContact CG-CE1 4.05Å; Q117-F122 HydrophobicContact CG-CE2 3.93Å; Q117-F122 HydrophobicContact CG-CZ 3.66Å
118I93.6Very high92.7Very high157 Ų15768.8 Ų68.881%0.80535%0.346SS*.THydrogen-bonded Turntrans-82-18.9179.2-56.3172.4000111.4N116N116-I118 PolarHBondContact O-N 3.21Å; N116-I118 WeakPolarHBondContact OD1-CB 3.47Å; N116-I118 PolarHBondContact OD1-N 2.89Å; N116-I118 VanDerWaalsContact OD1-N 3.08Å
119Q89.1Confident92.9Very high50 Ų5059.7 Ų59.723%0.23431%0.311CS..SBendtrans-72.3134.1-178.4-66.6-173.43.900111.9P111 N116 A121 F122P111-Q119 PolarHBondContact O-NE2 3.36Å; N116-Q119 HydrophobicContact CB-CG 4.01Å; N116-Q119 PolarHBondContact O-N 3.32Å; N116-Q119 VanDerWaalsContact O-N 3.08Å; Q119-A121 PolarHBondContact O-N 2.88Å; Q119-F122 VanDerWaalsContact O-CB 3.23Å; Q119-F122 WeakPolarHBondContact O-CB 3.31Å; Q119-F122 PolarHBondContact O-N 3.03Å
120K90.4Very high93Very high228 Ų22859 Ų5999%0.99131%0.308SS*.THydrogen-bonded Turntrans-57.1-21.1172.2-65.5-175.1178.5-177.90114.1
121A88.6Confident93Very high53 Ų5356.1 Ų56.144%0.43829%0.291SS..THydrogen-bonded Turntrans-100.311179.800000113.2Q119 K123Q119-A121 PolarHBondContact O-N 2.88Å; A121-K123 PolarHBondContact O-N 3.43Å
122F92.2Very high93Very high58 Ų5853.6 Ų53.625%0.25427%0.274SS..  trans-54.8132.3178.2-179-110.6000111.4T113 N116 Q117 Q119 E124T113-F122 WeakPolarHBondContact O-CA 3.34Å; N116-F122 WeakPolarHBondContact O-CD2 3.34Å; Q117-F122 HydrophobicContact CG-CE1 4.05Å; Q117-F122 HydrophobicContact CG-CE2 3.93Å; Q117-F122 HydrophobicContact CG-CZ 3.66Å; Q119-F122 VanDerWaalsContact O-CB 3.23Å; Q119-F122 WeakPolarHBondContact O-CB 3.31Å; Q119-F122 PolarHBondContact O-N 3.03Å; F122-E124 HydrophobicContact CE1-CG 3.54Å; F122-E124 HydrophobicContact CE2-CG 4.35Å; F122-E124 HydrophobicContact CZ-CG 3.44Å; F122-E124 VanDerWaalsContact CZ-CG 3.44Å; F122-E124 VanDerWaalsContact CZ-OE1 3.31Å; F122-E124 WeakPolarHBondContact CZ-OE1 3.29Å
123K90.1Very high93.1Very high66 Ų6653.4 Ų53.429%0.28727%0.271SS..  trans-141.1143179.1-70.2-179.5-179.2-176.70109.7A104 I105 T113 F114 A121 P125A104-K123 PolarHBondContact O-NZ 3.47Å; I105-K123 HydrophobicContact CD1-CD 4.38Å; T113-K123 HydrophobicContact CG2-CB 4.46Å; T113-K123 PolarHBondContact O-N 3.08Å; F114-K123 WeakPolarHBondContact CD1-O 3.38Å; A121-K123 PolarHBondContact O-N 3.43Å; K123-P125 VanDerWaalsContact C-CD 3.45Å; K123-P125 VanDerWaalsContact O-CD 3.28Å; K123-P125 WeakPolarHBondContact O-CD 3.26Å
124E92.6Very high93Very high134 Ų13458.9 Ų58.963%0.62629%0.292SS*.  trans-118.273.7175.2-63.5-178.3140.400109.7F122F122-E124 HydrophobicContact CE1-CG 3.54Å; F122-E124 HydrophobicContact CE2-CG 4.35Å; F122-E124 HydrophobicContact CZ-CG 3.44Å; F122-E124 VanDerWaalsContact CZ-CG 3.44Å; F122-E124 VanDerWaalsContact CZ-OE1 3.31Å; F122-E124 WeakPolarHBondContact CZ-OE1 3.29Å
125P94Very high92.9Very high6 Ų661.1 Ų61.14%0.03931%0.306CS..  trans-73.4134.8-178.528.7-31000111.5D79 C81 F114 K123 L127 I148D79-P125 CarbonylContact O-C 3.53Å; D79-P125 WeakPolarHBondContact O-CA 3.47Å; D79-P125 WeakPolarHBondContact O-CB 3.46Å; C81-P125 HydrophobicContact CB-CB 3.45Å; C81-P125 VanDerWaalsContact CB-CB 3.45Å; C81-P125 HydrophobicContact CB-CG 3.68Å; F114-P125 HydrophobicContact CD1-CG 3.96Å; F114-P125 HydrophobicContact CE1-CG 3.61Å; F114-P125 HydrophobicContact CZ-CG 4.16Å; K123-P125 VanDerWaalsContact C-CD 3.45Å; K123-P125 VanDerWaalsContact O-CD 3.28Å; K123-P125 WeakPolarHBondContact O-CD 3.26Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-I148 HydrophobicContact CG-CD1 4.09Å; P125-I148 WeakPolarHBondContact O-CD1 3.17Å; P125-I148 WeakPolarHBondContact O-CG1 3.19Å; P125-I148 WeakPolarHBondContact O-CG2 3.47Å
126S94.3Very high92.9Very high53 Ų5358 Ų5837%0.37129%0.286SS..SBendtrans-73.1-19.2173.764.10000113.9V74 D79 P149V74-S126 VanDerWaalsContact CG1-OG 3.23Å; V74-S126 WeakPolarHBondContact CG1-OG 3.44Å; D79-S126 PolarHBondContact O-N 3.37Å; D79-S126 PolarHBondContact O-OG 2.94Å; S126-P149 VanDerWaalsContact O-CD 3.26Å; S126-P149 WeakPolarHBondContact O-CD 3.09Å; S126-P149 VanDerWaalsContact O-CG 3.3Å; S126-P149 WeakPolarHBondContact O-CG 3.23Å
127L95.6Very high92.9Very high10 Ų1060.1 Ų60.15%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-152.3140.4175.7-170.9151.7000110.1A70 I71 V74 I80 C81 P125 V129 P149 I151A70-L127 HydrophobicContact CB-CD1 4.31Å; I71-L127 HydrophobicContact CD1-CD2 4.47Å; I71-L127 HydrophobicContact CG1-CD1 4.23Å; I71-L127 HydrophobicContact CG1-CD2 3.77Å; V74-L127 HydrophobicContact CG2-CB 4.13Å; V74-L127 HydrophobicContact CG2-CD1 4.15Å; I80-L127 WeakPolarHBondContact CA-O 3.48Å; I80-L127 HydrophobicContact CG2-CB 4.44Å; I80-L127 HydrophobicContact CG2-CD2 3.94Å; C81-L127 PolarHBondContact N-O 3.46Å; P125-L127 VanDerWaalsContact C-N 3.3Å; L127-V129 HydrophobicContact CD2-CG2 3.49Å; L127-V129 VanDerWaalsContact CD2-CG2 3.49Å; L127-P149 HydrophobicContact CB-CG 4.46Å; L127-P149 HydrophobicContact CG-CG 4.46Å; L127-I151 HydrophobicContact CD1-CD1 4.18Å; L127-I151 HydrophobicContact CD2-CD1 3.99Å; L127-I151 HydrophobicContact CD2-CG1 4.17Å
128L96Very high93.1Very high0 Ų056 Ų560%028%0.275CS..EExtended strand (participates in β ladder)trans-121.6128.6-175.9-175.8139.2000111.4C81 I83 F114 V130 I148 P149 V150 I151C81-L128 CarbonylContact O-C 3.36Å; C81-L128 WeakPolarHBondContact O-CA 3.45Å; I83-L128 HydrophobicContact CD1-CD1 3.56Å; I83-L128 HydrophobicContact CD1-CD2 4.36Å; I83-L128 HydrophobicContact CD1-CG 3.9Å; F114-L128 HydrophobicContact CD2-CD1 4.31Å; F114-L128 HydrophobicContact CE2-CD1 3.28Å; F114-L128 HydrophobicContact CZ-CD1 3.41Å; F114-L128 VanDerWaalsContact CZ-CD1 3.41Å; L128-V130 HydrophobicContact CD2-CG2 3.27Å; L128-V130 HydrophobicContact CG-CG2 4.41Å; L128-I148 HydrophobicContact CB-CG2 3.86Å; L128-P149 PolarHBondContact N-O 2.94Å; L128-V150 HydrophobicContact CD2-CB 4.49Å; L128-V150 HydrophobicContact CD2-CG1 3.99Å; L128-V150 HydrophobicContact CD2-CG2 4.05Å; L128-I151 PolarHBondContact O-N 2.91Å
129V96.6Very high93.1Very high1 Ų148.5 Ų48.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-119.6127.5-179.5-1630000111.2I71 I80 C81 V82 I83 L127 I151 W181I71-V129 HydrophobicContact CD1-CG2 3.83Å; I71-V129 HydrophobicContact CG1-CG2 4.33Å; I80-V129 HydrophobicContact CG2-CG2 4.26Å; C81-V129 PolarHBondContact O-N 2.96Å; V82-V129 WeakPolarHBondContact CA-O 3.39Å; V82-V129 HydrophobicContact CG1-CB 4.4Å; I83-V129 PolarHBondContact N-O 3.42Å; L127-V129 HydrophobicContact CD2-CG2 3.49Å; L127-V129 VanDerWaalsContact CD2-CG2 3.49Å; V129-I151 CarbonylContact C-O 3.49Å; V129-I151 VanDerWaalsContact CA-O 3.29Å; V129-I151 WeakPolarHBondContact CA-O 3.29Å; V129-I151 HydrophobicContact CG1-CB 4.27Å; V129-I151 HydrophobicContact CG1-CG2 4.3Å; V129-I151 HydrophobicContact CG2-CB 4.47Å; V129-W181 HydrophobicContact CB-CH2 3.99Å; V129-W181 HydrophobicContact CB-CZ3 4.34Å; V129-W181 HydrophobicContact CG1-CH2 3.48Å; V129-W181 VanDerWaalsContact CG1-CH2 3.48Å; V129-W181 HydrophobicContact CG1-CZ3 3.76Å
130V95.2Very high93.4Very high0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans-122.2140.3-166.9-175.30000113.4L128 D136 I140 V150 I151 A152 F153L128-V130 HydrophobicContact CD2-CG2 3.27Å; L128-V130 HydrophobicContact CG-CG2 4.41Å; V130-D136 HydrophobicContact CG1-CB 3.45Å; V130-D136 VanDerWaalsContact CG1-CB 3.45Å; V130-D136 WeakPolarHBondContact CG1-OD2 3.44Å; V130-I140 HydrophobicContact CG1-CD1 4.25Å; V130-I140 HydrophobicContact CG2-CD1 4.3Å; V130-I140 HydrophobicContact CG2-CG1 4.11Å; V130-V150 HydrophobicContact CG2-CG1 4.21Å; V130-I151 PolarHBondContact N-O 3.26Å; V130-A152 HydrophobicContact CB-CB 4Å; V130-F153 PolarHBondContact O-N 3.35Å
131C93.6Very high93.7Very high5 Ų537.6 Ų37.63%0.03419%0.192CC..SBendtrans-75.7-46.7175.7-104.90000115.3I83 S84 F153 W181I83-C131 PolarHBondContact O-N 3.49Å; I83-C131 VanDerWaalsContact O-N 3.11Å; S84-C131 VanDerWaalsContact CB-SG 3.5Å; S84-C131 WeakPolarHBondContact OG-CB 3.49Å; S84-C131 PolarHBondContact OG-SG 2.65Å; S84-C131 VanDerWaalsContact OG-SG 3.42Å; C131-F153 WeakPolarHBondContact O-CB 3.31Å; C131-W181 PolarHBondContact SG-NE1 3.08Å
132D93.2Very high93.9Very high2 Ų235.4 Ų35.41%0.01117%0.173CC..  trans-148.1118.1171.2178.116.1000110.7R86 R134 T135 D136 S158 N171R86-D132 IonicContact CZ-OD2 3.82Å; R86-D132 IonicContact NH1-OD2 3.15Å; R86-D132 PolarHBondContact NH1-OD2 3.09Å; R86-D132 IonicContact NH2-OD2 2.69Å; R86-D132 PolarHBondContact NH2-OD2 3.17Å; D132-R134 PolarHBondContact O-N 3.19Å; D132-R134 PolarHBondContact OD1-N 3.39Å; D132-T135 PolarHBondContact O-N 3.41Å; D132-T135 VanDerWaalsContact O-N 3.12Å; D132-T135 PolarHBondContact O-OG1 3.44Å; D132-D136 PolarHBondContact N-OD2 3.32Å; D132-D136 VanDerWaalsContact N-OD2 3.11Å; D132-D136 WeakPolarHBondContact O-CB 3.23Å; D132-D136 PolarHBondContact O-N 3.06Å; D132-S158 PolarHBondContact OD1-OG 3.49Å; D132-N171 WeakPolarHBondContact CB-ND2 3.34Å; D132-N171 PolarHBondContact OD1-ND2 3.46Å
133P93.7Very high94.1Very high5 Ų532.6 Ų32.63%0.03216%0.16CC..THydrogen-bonded Turntrans-61.6-15.3179.628.1-38000113.8H137 I140 F153 P159 V163P133-H137 WeakPolarHBondContact O-CA 3.32Å; P133-H137 WeakPolarHBondContact O-CB 3.37Å; P133-H137 PolarHBondContact O-N 3.47Å; P133-I140 HydrophobicContact CB-CD1 3.41Å; P133-I140 VanDerWaalsContact CB-CD1 3.41Å; P133-F153 WeakPolarHBondContact CD-O 3.48Å; P133-P159 WeakPolarHBondContact CG-O 3.46Å; P133-V163 HydrophobicContact CB-CG2 4.35Å
134R92.1Very high94.3Very high121 Ų12131.3 Ų31.346%0.45716%0.16SC..THydrogen-bonded Turntrans-76.4-44.4173179168.5-76.2121.63.1113D132 H137 D157D132-R134 PolarHBondContact O-N 3.19Å; D132-R134 PolarHBondContact OD1-N 3.39Å; R134-H137 PolarHBondContact O-ND1 3.08Å; R134-D157 PolarHBondContact NH1-O 3.23Å; R134-D157 IonicContact NH1-OD1 3.97Å; R134-D157 PolarHBondContact NH2-O 3.16Å
135T92.5Very high94.4Very high51 Ų5132.8 Ų32.831%0.31316%0.161SC..THydrogen-bonded Turntrans-80-37.1178.853.80000111.8R86 D132 H137R86-T135 HydrophobicContact CG-CG2 4.16Å; D132-T135 PolarHBondContact O-N 3.41Å; D132-T135 VanDerWaalsContact O-N 3.12Å; D132-T135 PolarHBondContact O-OG1 3.44Å; T135-H137 VanDerWaalsContact C-N 3.31Å; T135-H137 PolarHBondContact O-N 2.86Å
136D93.1Very high94.4Very high3 Ų335 Ų352%0.01617%0.174CC..SBendtrans-96.418.1-172.1-50.9-35.1000111.9A85 V130 D132 Q138 A139 I140A85-D136 WeakPolarHBondContact CB-OD1 3.36Å; A85-D136 PolarHBondContact N-OD1 3.4Å; V130-D136 HydrophobicContact CG1-CB 3.45Å; V130-D136 VanDerWaalsContact CG1-CB 3.45Å; V130-D136 WeakPolarHBondContact CG1-OD2 3.44Å; D132-D136 PolarHBondContact N-OD2 3.32Å; D132-D136 VanDerWaalsContact N-OD2 3.11Å; D132-D136 WeakPolarHBondContact O-CB 3.23Å; D132-D136 PolarHBondContact O-N 3.06Å; D136-Q138 PolarHBondContact O-N 3.35Å; D136-Q138 VanDerWaalsContact O-N 3.1Å; D136-A139 WeakPolarHBondContact O-CB 3.49Å; D136-A139 PolarHBondContact O-N 2.72Å; D136-I140 PolarHBondContact O-N 2.97Å
137H93.6Very high94.3Very high106 Ų10639.5 Ų39.549%0.49119%0.194SC..Hα-helixtrans-53.9-33.4-175.364.3-90.5000113.4P133 R134 T135 A139 I140 T141P133-H137 WeakPolarHBondContact O-CA 3.32Å; P133-H137 WeakPolarHBondContact O-CB 3.37Å; P133-H137 PolarHBondContact O-N 3.47Å; R134-H137 PolarHBondContact O-ND1 3.08Å; T135-H137 VanDerWaalsContact C-N 3.31Å; T135-H137 PolarHBondContact O-N 2.86Å; H137-A139 VanDerWaalsContact C-N 3.32Å; H137-A139 PolarHBondContact O-N 2.87Å; H137-I140 PolarHBondContact O-N 2.97Å; H137-T141 PolarHBondContact O-N 3.1Å; H137-T141 PolarHBondContact O-OG1 3.39Å
138Q94.6Very high94.3Very high67 Ų6739.8 Ų39.831%0.31320%0.195SC..Hα-helixtrans-58.4-42.9177.2-175.365.735.300112.1F109 P111 D136 I140 T141 E142F109-Q138 HydrophobicContact CD1-CB 4.07Å; F109-Q138 HydrophobicContact CD1-CG 3.69Å; F109-Q138 HydrophobicContact CE1-CG 3.93Å; P111-Q138 HydrophobicContact CB-CG 4.4Å; P111-Q138 HydrophobicContact CG-CG 4.22Å; D136-Q138 PolarHBondContact O-N 3.35Å; D136-Q138 VanDerWaalsContact O-N 3.1Å; Q138-I140 VanDerWaalsContact C-N 3.33Å; Q138-T141 WeakPolarHBondContact CA-OG1 3.31Å; Q138-T141 PolarHBondContact O-N 3.49Å; Q138-T141 PolarHBondContact O-OG1 2.97Å; Q138-E142 PolarHBondContact NE2-OE1 3.32Å; Q138-E142 PolarHBondContact O-N 3.17Å
139A94.7Very high94.3Very high0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-69.1-34.5178.900000111.6I83 F109 F114 D136 H137 E142 S143I83-A139 HydrophobicContact CD1-CB 3.61Å; F109-A139 HydrophobicContact CD1-CB 4.22Å; F109-A139 HydrophobicContact CD2-CB 3.9Å; F109-A139 HydrophobicContact CE1-CB 4.14Å; F109-A139 HydrophobicContact CE2-CB 3.83Å; F109-A139 HydrophobicContact CG-CB 4.09Å; F109-A139 HydrophobicContact CZ-CB 3.94Å; F114-A139 HydrophobicContact CE2-CB 4.23Å; D136-A139 WeakPolarHBondContact O-CB 3.49Å; D136-A139 PolarHBondContact O-N 2.72Å; H137-A139 VanDerWaalsContact C-N 3.32Å; H137-A139 PolarHBondContact O-N 2.87Å; A139-E142 PolarHBondContact O-N 3.4Å; A139-S143 WeakPolarHBondContact O-CB 3.41Å; A139-S143 PolarHBondContact O-N 3.4Å; A139-S143 PolarHBondContact O-OG 3.24Å
140I95.6Very high94.3Very high6 Ų642.5 Ų42.53%0.03121%0.213CC..Hα-helixtrans-72.2-35.4176.8-63.3-179.8000111.8V130 P133 D136 H137 Q138 S143 S144 V150 K161 F162 V163V130-I140 HydrophobicContact CG1-CD1 4.25Å; V130-I140 HydrophobicContact CG2-CD1 4.3Å; V130-I140 HydrophobicContact CG2-CG1 4.11Å; P133-I140 HydrophobicContact CB-CD1 3.41Å; P133-I140 VanDerWaalsContact CB-CD1 3.41Å; D136-I140 PolarHBondContact O-N 2.97Å; H137-I140 PolarHBondContact O-N 2.97Å; Q138-I140 VanDerWaalsContact C-N 3.33Å; I140-S143 WeakPolarHBondContact CA-OG 3.24Å; I140-S143 PolarHBondContact O-OG 3.45Å; I140-S144 PolarHBondContact O-N 3.47Å; I140-V150 HydrophobicContact CD1-CG1 4.44Å; I140-V150 HydrophobicContact CG1-CG1 4.2Å; I140-K161 WeakPolarHBondContact CG2-O 3.42Å; I140-F162 HydrophobicContact CG2-CB 3.75Å; I140-F162 HydrophobicContact CG2-CD2 4.43Å; I140-V163 HydrophobicContact CD1-CG2 4.21Å
141T94.9Very high94.4Very high43 Ų4342.6 Ų42.626%0.26421%0.213SC..Hα-helixtrans-69.3-40.4171.847.20000111.5H137 Q138 S144H137-T141 PolarHBondContact O-N 3.1Å; H137-T141 PolarHBondContact O-OG1 3.39Å; Q138-T141 WeakPolarHBondContact CA-OG1 3.31Å; Q138-T141 PolarHBondContact O-N 3.49Å; Q138-T141 PolarHBondContact O-OG1 2.97Å; T141-S144 PolarHBondContact O-N 3.45Å; T141-S144 PolarHBondContact O-OG 3.14Å
142E94.5Very high94.5Very high6 Ų642.4 Ų42.43%0.02821%0.212CC..Hα-helixtrans-70.2-36.5177.6-75.1179.6-143.900113.2P111 G112 T113 F114 Q138 A139 S144 Y145P111-E142 VanDerWaalsContact CA-OE1 3.24Å; P111-E142 WeakPolarHBondContact CA-OE1 3.13Å; G112-E142 VanDerWaalsContact CA-OE2 3.31Å; G112-E142 WeakPolarHBondContact CA-OE2 3.34Å; G112-E142 PolarHBondContact N-OE1 2.83Å; G112-E142 PolarHBondContact N-OE2 2.98Å; T113-E142 PolarHBondContact N-OE2 3.14Å; F114-E142 HydrophobicContact CB-CB 4.46Å; F114-E142 HydrophobicContact CD2-CB 3.87Å; Q138-E142 PolarHBondContact NE2-OE1 3.32Å; Q138-E142 PolarHBondContact O-N 3.17Å; A139-E142 PolarHBondContact O-N 3.4Å; E142-S144 PolarHBondContact O-N 3.39Å; E142-Y145 HydrophobicContact CG-CD2 4.44Å; E142-Y145 PolarHBondContact O-N 3.33Å; E142-Y145 VanDerWaalsContact O-N 3.09Å
143S95.1Very high94.7Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-60.4-34.7174.264.80000112.2A139 I140 Y145 V146 N147 I148 V150A139-S143 WeakPolarHBondContact O-CB 3.41Å; A139-S143 PolarHBondContact O-N 3.4Å; A139-S143 PolarHBondContact O-OG 3.24Å; I140-S143 WeakPolarHBondContact CA-OG 3.24Å; I140-S143 PolarHBondContact O-OG 3.45Å; S143-Y145 VanDerWaalsContact C-N 3.28Å; S143-Y145 PolarHBondContact O-N 3.01Å; S143-V146 PolarHBondContact O-N 2.86Å; S143-N147 PolarHBondContact O-N 2.82Å; S143-I148 PolarHBondContact O-N 2.85Å; S143-V150 WeakPolarHBondContact OG-CG2 3.27Å
144S94.7Very high94.8Very high39 Ų3942.3 Ų42.327%0.27321%0.211SC..Hα-helixtrans-66.8-23.4175.879.60000114.4I140 T141 E142I140-S144 PolarHBondContact O-N 3.47Å; T141-S144 PolarHBondContact O-N 3.45Å; T141-S144 PolarHBondContact O-OG 3.14Å; E142-S144 PolarHBondContact O-N 3.39Å
145Y94.9Very high94.9Very high165 Ų16536.5 Ų36.565%0.64719%0.189SC*.Hα-helixtrans-78.4-23.9174.9-58.2-40000112.8T115 E142 S143T115-Y145 HydrophobicContact CG2-CD2 4.23Å; E142-Y145 HydrophobicContact CG-CD2 4.44Å; E142-Y145 PolarHBondContact O-N 3.33Å; E142-Y145 VanDerWaalsContact O-N 3.09Å; S143-Y145 VanDerWaalsContact C-N 3.28Å; S143-Y145 PolarHBondContact O-N 3.01Å
146V93.4Very high94.9Very high53 Ų5334.2 Ų34.232%0.32118%0.175SC..Hα-helixtrans-1113.7-173.7-168.10000111.8F114 T115 S143 I148F114-V146 HydrophobicContact CB-CG2 4.39Å; T115-V146 HydrophobicContact CG2-CG2 3.91Å; S143-V146 PolarHBondContact O-N 2.86Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 HydrophobicContact CB-CD1 3.84Å; V146-I148 HydrophobicContact CB-CG1 4Å; V146-I148 HydrophobicContact CG1-CD1 3.93Å; V146-I148 HydrophobicContact CG1-CG1 4.08Å; V146-I148 PolarHBondContact O-N 2.84Å
147N93.8Very high94.9Very high147 Ų14735.4 Ų35.479%0.78618%0.181SC*.THydrogen-bonded Turntrans59.735.8-177.5-52-71.9000114.1S143S143-N147 PolarHBondContact O-N 2.82Å
148I94.5Very high94.8Very high16 Ų1630.3 Ų30.38%0.08216%0.158CC..  trans-86.8124.7-179.9-59.4166.4000109.2F114 P125 L128 S143 V146F114-I148 HydrophobicContact CB-CD1 4.44Å; F114-I148 HydrophobicContact CG-CD1 4.4Å; P125-I148 HydrophobicContact CG-CD1 4.09Å; P125-I148 WeakPolarHBondContact O-CD1 3.17Å; P125-I148 WeakPolarHBondContact O-CG1 3.19Å; P125-I148 WeakPolarHBondContact O-CG2 3.47Å; L128-I148 HydrophobicContact CB-CG2 3.86Å; S143-I148 PolarHBondContact O-N 2.85Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 HydrophobicContact CB-CD1 3.84Å; V146-I148 HydrophobicContact CB-CG1 4Å; V146-I148 HydrophobicContact CG1-CD1 3.93Å; V146-I148 HydrophobicContact CG1-CG1 4.08Å; V146-I148 PolarHBondContact O-N 2.84Å
149P96.2Very high94.7Very high55 Ų5529.1 Ų29.136%0.35716%0.156SC..  trans-69.3140.3-179.527.9-34.6000112.2S126 L127 L128 D164S126-P149 VanDerWaalsContact O-CD 3.26Å; S126-P149 WeakPolarHBondContact O-CD 3.09Å; S126-P149 VanDerWaalsContact O-CG 3.3Å; S126-P149 WeakPolarHBondContact O-CG 3.23Å; L127-P149 HydrophobicContact CB-CG 4.46Å; L127-P149 HydrophobicContact CG-CG 4.46Å; L128-P149 PolarHBondContact N-O 2.94Å; P149-D164 WeakPolarHBondContact CA-OD2 3.46Å
150V96.9Very high94.6Very high2 Ų230.3 Ų30.31%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-117.9122.9-170.1-178.70000112.1L128 V130 I140 S143 F162 V163 D164 I165L128-V150 HydrophobicContact CD2-CB 4.49Å; L128-V150 HydrophobicContact CD2-CG1 3.99Å; L128-V150 HydrophobicContact CD2-CG2 4.05Å; V130-V150 HydrophobicContact CG2-CG1 4.21Å; I140-V150 HydrophobicContact CD1-CG1 4.44Å; I140-V150 HydrophobicContact CG1-CG1 4.2Å; S143-V150 WeakPolarHBondContact OG-CG2 3.27Å; V150-F162 WeakPolarHBondContact CB-O 3.48Å; V150-F162 WeakPolarHBondContact CG2-O 3.4Å; V150-V163 HydrophobicContact CG1-CG2 4.23Å; V150-D164 PolarHBondContact N-OD2 2.97Å; V150-D164 PolarHBondContact O-N 3.3Å; V150-I165 PolarHBondContact O-N 3.35Å
151I97Very high94.5Very high3 Ų337.6 Ų37.62%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-106.1130.6167.3-51.9-168.1000107.9A67 A70 I71 L127 L128 V129 V130 I165 I167A67-I151 HydrophobicContact CB-CD1 3.91Å; A67-I151 HydrophobicContact CB-CG2 3.79Å; A70-I151 HydrophobicContact CB-CD1 4.1Å; I71-I151 HydrophobicContact CD1-CD1 4.03Å; I71-I151 HydrophobicContact CG1-CD1 4.07Å; L127-I151 HydrophobicContact CD1-CD1 4.18Å; L127-I151 HydrophobicContact CD2-CD1 3.99Å; L127-I151 HydrophobicContact CD2-CG1 4.17Å; L128-I151 PolarHBondContact O-N 2.91Å; V129-I151 CarbonylContact C-O 3.49Å; V129-I151 VanDerWaalsContact CA-O 3.29Å; V129-I151 WeakPolarHBondContact CA-O 3.29Å; V129-I151 HydrophobicContact CG1-CB 4.27Å; V129-I151 HydrophobicContact CG1-CG2 4.3Å; V129-I151 HydrophobicContact CG2-CB 4.47Å; V130-I151 PolarHBondContact N-O 3.26Å; I151-I165 WeakPolarHBondContact CA-O 3.39Å; I151-I165 HydrophobicContact CB-CB 4.46Å; I151-I165 HydrophobicContact CD1-CD1 3.91Å; I151-I165 HydrophobicContact CG1-CB 4.13Å; I151-I165 HydrophobicContact CG1-CD1 4.04Å; I151-I165 HydrophobicContact CG2-CB 4.21Å; I151-I165 HydrophobicContact CG2-CG2 4.27Å; I151-I167 HydrophobicContact CG2-CD1 3.83Å; I151-I167 HydrophobicContact CG2-CG1 4.24Å
152A96.6Very high94.5Very high1 Ų141.5 Ų41.51%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-137.3140-179.200000113.5V130 C154 V163 I165 I167V130-A152 HydrophobicContact CB-CB 4Å; A152-C154 PolarHBondContact O-N 3.48Å; A152-C154 PolarHBondContact O-SG 3.25Å; A152-C154 VanDerWaalsContact O-SG 3.32Å; A152-V163 HydrophobicContact CB-CG1 3.73Å; A152-V163 HydrophobicContact CB-CG2 3.95Å; A152-I165 PolarHBondContact N-O 3.44Å; A152-I167 PolarHBondContact O-N 2.95Å
153F96.3Very high94.5Very high4 Ų442.1 Ų42.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-75.4110.6166.3-74.3-43.5000110.1V130 C131 P133 I167 C169 N171 M180 W181 L184V130-F153 PolarHBondContact O-N 3.35Å; C131-F153 WeakPolarHBondContact O-CB 3.31Å; P133-F153 WeakPolarHBondContact CD-O 3.48Å; F153-I167 HydrophobicContact CD1-CB 3.8Å; F153-I167 HydrophobicContact CD1-CD1 4.04Å; F153-I167 HydrophobicContact CD1-CG2 3.9Å; F153-I167 HydrophobicContact CE1-CB 4.08Å; F153-I167 HydrophobicContact CE1-CD1 3.61Å; F153-I167 HydrophobicContact CE1-CG1 4.47Å; F153-I167 HydrophobicContact CE1-CG2 3.9Å; F153-I167 HydrophobicContact CZ-CD1 4.44Å; F153-C169 VanDerWaalsContact CB-SG 3.56Å; F153-N171 PolarHBondContact O-ND2 3.04Å; F153-M180 HydrophobicContact CD1-CB 4.32Å; F153-M180 HydrophobicContact CD1-CE 4.14Å; F153-M180 HydrophobicContact CE1-CB 3.78Å; F153-M180 HydrophobicContact CE1-CE 3.7Å; F153-M180 HydrophobicContact CE2-CB 4.16Å; F153-M180 HydrophobicContact CZ-CB 3.69Å; F153-W181 AromaticContact CD2-CE2 3.99Å; F153-W181 AromaticContact CD2-CZ2 4Å; F153-W181 HydrophobicContact CD2-CZ2 4Å; F153-W181 AromaticContact CE2-CD2 3.69Å; F153-W181 HydrophobicContact CE2-CD2 3.69Å; F153-W181 AromaticContact CE2-CE2 3.5Å; F153-W181 HydrophobicContact CE2-CE3 4.1Å; F153-W181 HydrophobicContact CE2-CG 4.09Å; F153-W181 HydrophobicContact CE2-CH2 4.13Å; F153-W181 AromaticContact CE2-CZ2 3.74Å; F153-W181 HydrophobicContact CE2-CZ2 3.74Å; F153-W181 HydrophobicContact CE2-CZ3 4.3Å; F153-W181 AromaticContact CE2-NE1 3.81Å; F153-W181 HydrophobicContact CZ-CD2 4.5Å; F153-L184 HydrophobicContact CE1-CD1 4.13Å; F153-L184 HydrophobicContact CZ-CD1 3.64Å
154C95.1Very high94.5Very high0 Ų047.2 Ų47.20%024%0.239CC..EExtended strand (participates in β ladder)trans-116.2124.2-169.8-60.90000110.9M31 A152 L160 A166 I167 P168 C169M31-C154 HydrophobicContact CE-CB 3.89Å; M31-C154 HydrophobicContact SD-CB 4.14Å; A152-C154 PolarHBondContact O-N 3.48Å; A152-C154 PolarHBondContact O-SG 3.25Å; A152-C154 VanDerWaalsContact O-SG 3.32Å; C154-L160 HydrophobicContact CB-CD2 3.87Å; C154-L160 WeakPolarHBondContact SG-CD2 3.42Å; C154-A166 HydrophobicContact CB-CB 4.37Å; C154-I167 PolarHBondContact N-O 3.03Å; C154-P168 CarbonylContact O-C 3.6Å; C154-P168 VanDerWaalsContact O-CA 3.29Å; C154-P168 WeakPolarHBondContact O-CA 3.47Å; C154-C169 CarbonylContact C-O 3.58Å; C154-C169 PolarHBondContact O-N 3.04Å
155N94.3Very high94.6Very high0 Ų046.5 Ų46.50%023%0.232CC..  trans-82169.5167.6-155.3-29.7000109.9G23 S24 M31 D157 S158 C169 N171G23-N155 WeakPolarHBondContact CA-OD1 3.46Å; S24-N155 PolarHBondContact N-OD1 3.44Å; M31-N155 WeakPolarHBondContact CE-O 3.4Å; N155-D157 PolarHBondContact O-N 2.8Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-S158 PolarHBondContact N-OG 3.11Å; N155-S158 WeakPolarHBondContact O-CB 3.35Å; N155-S158 PolarHBondContact O-N 2.85Å; N155-C169 VanDerWaalsContact CA-O 3.3Å; N155-C169 WeakPolarHBondContact CA-O 3.06Å; N155-N171 WeakPolarHBondContact CB-OD1 3.4Å; N155-N171 PolarHBondContact ND2-OD1 3.01Å
156T93.3Very high94.6Very high2 Ų238.9 Ų38.91%0.01220%0.202CC..THydrogen-bonded Turntrans-60.1-25.6-177.662.20000112.7S24 N26 A27 D28 V35 H53 I55S24-T156 WeakPolarHBondContact CA-OG1 3.43Å; S24-T156 WeakPolarHBondContact CB-OG1 3.26Å; S24-T156 PolarHBondContact N-OG1 2.96Å; N26-T156 PolarHBondContact O-OG1 3.39Å; A27-T156 CarbonylContact C-O 3.59Å; A27-T156 VanDerWaalsContact CA-O 3.31Å; A27-T156 WeakPolarHBondContact CA-O 3.46Å; D28-T156 PolarHBondContact N-O 2.83Å; V35-T156 HydrophobicContact CG2-CG2 3.95Å; H53-T156 HydrophobicContact CB-CG2 3.98Å; I55-T156 HydrophobicContact CD1-CG2 4.13Å; I55-T156 HydrophobicContact CG1-CG2 3.82Å
157D92.8Very high94.8Very high28 Ų2836.3 Ų36.315%0.1519%0.187CC..THydrogen-bonded Turntrans-99.48.317662.1-6.7000114.4S24 N26 R134 N155 K172S24-D157 WeakPolarHBondContact CB-OD2 3.19Å; S24-D157 VanDerWaalsContact OG-CG 3.26Å; S24-D157 PolarHBondContact OG-OD2 3.2Å; N26-D157 HydrophobicContact CB-CB 4.38Å; R134-D157 PolarHBondContact NH1-O 3.23Å; R134-D157 IonicContact NH1-OD1 3.97Å; R134-D157 PolarHBondContact NH2-O 3.16Å; N155-D157 PolarHBondContact O-N 2.8Å; N155-D157 VanDerWaalsContact O-N 3.08Å; D157-K172 IonicContact OD1-NZ 3.4Å; D157-K172 PolarHBondContact OD1-NZ 3.02Å; D157-K172 IonicContact OD2-NZ 2.71Å; D157-K172 PolarHBondContact OD2-NZ 2.79Å
158S92Very high94.9Very high0 Ų029.3 Ų29.30%015%0.15CC..  trans-79.9134.8176.8-75.30000111.4D132 N155 N171D132-S158 PolarHBondContact OD1-OG 3.49Å; N155-S158 PolarHBondContact N-OG 3.11Å; N155-S158 WeakPolarHBondContact O-CB 3.35Å; N155-S158 PolarHBondContact O-N 2.85Å; S158-N171 PolarHBondContact OG-ND2 3.05Å
159P92.9Very high94.9Very high42 Ų4228.7 Ų28.727%0.27315%0.146SC..  trans-72.7139.6175.431.2-34.3000111.1P133P133-P159 WeakPolarHBondContact CG-O 3.46Å
160L93Very high94.8Very high25 Ų2526.7 Ų26.713%0.13113%0.133CC..  trans-100.222.8178.1-52.5-173.4000114.1Q30 M31 C154 F162 V163 A166Q30-L160 HydrophobicContact CB-CD1 3.81Å; Q30-L160 HydrophobicContact CB-CG 4.34Å; M31-L160 HydrophobicContact CG-CD1 4.23Å; M31-L160 HydrophobicContact CG-CD2 4.39Å; M31-L160 HydrophobicContact CG-CG 4.29Å; M31-L160 HydrophobicContact SD-CD1 3.73Å; M31-L160 HydrophobicContact SD-CD2 3.77Å; M31-L160 HydrophobicContact SD-CG 4.07Å; C154-L160 HydrophobicContact CB-CD2 3.87Å; C154-L160 WeakPolarHBondContact SG-CD2 3.42Å; L160-F162 PolarHBondContact O-N 2.91Å; L160-V163 PolarHBondContact O-N 2.89Å; L160-A166 HydrophobicContact CD1-CB 4.1Å; L160-A166 HydrophobicContact CD2-CB 3.73Å
161K93.5Very high94.5Very high159 Ų15926.7 Ų26.769%0.69113%0.133SC*.THydrogen-bonded Turntrans-65.9124.9177.2-63.9-175179.6-176.60109.7I140 V163I140-K161 WeakPolarHBondContact CG2-O 3.42Å; K161-V163 PolarHBondContact O-N 3.1Å
162F94Very high94.1Very high124 Ų12430.9 Ų30.954%0.54415%0.151SC..THydrogen-bonded Turntrans56.531.6-176.9-42.3-76.2000114.5I140 V150 L160I140-F162 HydrophobicContact CG2-CB 3.75Å; I140-F162 HydrophobicContact CG2-CD2 4.43Å; V150-F162 WeakPolarHBondContact CB-O 3.48Å; V150-F162 WeakPolarHBondContact CG2-O 3.4Å; L160-F162 PolarHBondContact O-N 2.91Å
163V94.8Very high93.7Very high19 Ų1931.7 Ų31.712%0.11516%0.16CC..  trans-111.9114.8172.71770000109.3P133 I140 V150 A152 L160 K161 A166P133-V163 HydrophobicContact CB-CG2 4.35Å; I140-V163 HydrophobicContact CD1-CG2 4.21Å; V150-V163 HydrophobicContact CG1-CG2 4.23Å; A152-V163 HydrophobicContact CB-CG1 3.73Å; A152-V163 HydrophobicContact CB-CG2 3.95Å; L160-V163 PolarHBondContact O-N 2.89Å; K161-V163 PolarHBondContact O-N 3.1Å; V163-A166 HydrophobicContact CG1-CB 4.28Å
164D95.5Very high93.5Very high108 Ų10833.8 Ų33.858%0.57817%0.174SC*.SBendtrans-78.1-44.1-179.8-53.6-61.8000111.5P149 V150P149-D164 WeakPolarHBondContact CA-OD2 3.46Å; V150-D164 PolarHBondContact N-OD2 2.97Å; V150-D164 PolarHBondContact O-N 3.3Å
165I96Very high93.4Very high24 Ų2439.9 Ų39.912%0.12320%0.2CC..EExtended strand (participates in β ladder)trans-121.192.2-179.4-55.9165.3000109.5K63 L66 A67 A70 V150 I151 A152 I167K63-I165 HydrophobicContact CD-CG2 4.5Å; L66-I165 HydrophobicContact CD2-CD1 3.41Å; L66-I165 VanDerWaalsContact CD2-CD1 3.41Å; L66-I165 HydrophobicContact CD2-CG1 3.73Å; L66-I165 HydrophobicContact CD2-CG2 3.98Å; A67-I165 HydrophobicContact CB-CG2 4.17Å; A70-I165 HydrophobicContact CB-CD1 4Å; V150-I165 PolarHBondContact O-N 3.35Å; I151-I165 WeakPolarHBondContact CA-O 3.39Å; I151-I165 HydrophobicContact CB-CB 4.46Å; I151-I165 HydrophobicContact CD1-CD1 3.91Å; I151-I165 HydrophobicContact CG1-CB 4.13Å; I151-I165 HydrophobicContact CG1-CD1 4.04Å; I151-I165 HydrophobicContact CG2-CB 4.21Å; I151-I165 HydrophobicContact CG2-CG2 4.27Å; A152-I165 PolarHBondContact N-O 3.44Å; I165-I167 HydrophobicContact CG2-CG1 4.41Å; I165-I167 PolarHBondContact O-N 3.5Å
166A95.9Very high93.3Very high4 Ų439.9 Ų39.93%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-73117.7165.900000110.4Y34 K63 C154 L160 V163 P168Y34-A166 HydrophobicContact CE2-CB 4.41Å; K63-A166 WeakPolarHBondContact CD-O 3.41Å; C154-A166 HydrophobicContact CB-CB 4.37Å; L160-A166 HydrophobicContact CD1-CB 4.1Å; L160-A166 HydrophobicContact CD2-CB 3.73Å; V163-A166 HydrophobicContact CG1-CB 4.28Å; A166-P168 WeakPolarHBondContact O-CD 3.24Å
167I96.5Very high93.4Very high0 Ų040.1 Ų40.10%020%0.201CC..EExtended strand (participates in β ladder)trans-96.2108.8166.9-55.5170.6000107.2K63 L64 A67 I151 A152 F153 C154 I165 C169 M180 L184K63-I167 HydrophobicContact CB-CG1 4.48Å; L64-I167 HydrophobicContact CB-CG2 4.47Å; A67-I167 HydrophobicContact CB-CD1 3.59Å; A67-I167 HydrophobicContact CB-CG1 4.14Å; I151-I167 HydrophobicContact CG2-CD1 3.83Å; I151-I167 HydrophobicContact CG2-CG1 4.24Å; A152-I167 PolarHBondContact O-N 2.95Å; F153-I167 HydrophobicContact CD1-CB 3.8Å; F153-I167 HydrophobicContact CD1-CD1 4.04Å; F153-I167 HydrophobicContact CD1-CG2 3.9Å; F153-I167 HydrophobicContact CE1-CB 4.08Å; F153-I167 HydrophobicContact CE1-CD1 3.61Å; F153-I167 HydrophobicContact CE1-CG1 4.47Å; F153-I167 HydrophobicContact CE1-CG2 3.9Å; F153-I167 HydrophobicContact CZ-CD1 4.44Å; C154-I167 PolarHBondContact N-O 3.03Å; I165-I167 HydrophobicContact CG2-CG1 4.41Å; I165-I167 PolarHBondContact O-N 3.5Å; I167-C169 PolarHBondContact O-N 3.38Å; I167-M180 HydrophobicContact CG2-CE 3.54Å; I167-L184 HydrophobicContact CD1-CD1 3.88Å
168P95.5Very high93.4Very high0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-70.1122.5-179.526.8-33.2000110.8M31 Y34 I55 T60 C154 A166M31-P168 HydrophobicContact CE-CB 3.95Å; Y34-P168 HydrophobicContact CD1-CB 4.29Å; Y34-P168 HydrophobicContact CD1-CG 3.66Å; Y34-P168 HydrophobicContact CD2-CB 4.28Å; Y34-P168 HydrophobicContact CD2-CG 4.44Å; Y34-P168 HydrophobicContact CE1-CG 4.28Å; Y34-P168 HydrophobicContact CG-CB 3.84Å; Y34-P168 HydrophobicContact CG-CG 3.74Å; I55-P168 HydrophobicContact CG2-CB 3.83Å; I55-P168 HydrophobicContact CG2-CG 4.4Å; T60-P168 WeakPolarHBondContact CB-O 3.25Å; T60-P168 HydrophobicContact CG2-CB 4.47Å; T60-P168 HydrophobicContact CG2-CG 4.06Å; T60-P168 WeakPolarHBondContact CG2-O 3.5Å; C154-P168 CarbonylContact O-C 3.6Å; C154-P168 VanDerWaalsContact O-CA 3.29Å; C154-P168 WeakPolarHBondContact O-CA 3.47Å; A166-P168 WeakPolarHBondContact O-CD 3.24Å
169C94.3Very high93.6Very high2 Ų238.9 Ų38.91%0.01420%0.195CC..  trans-161.9166.1177650000112.7F153 C154 N155 I167 N171 M180F153-C169 VanDerWaalsContact CB-SG 3.56Å; C154-C169 CarbonylContact C-O 3.58Å; C154-C169 PolarHBondContact O-N 3.04Å; N155-C169 VanDerWaalsContact CA-O 3.3Å; N155-C169 WeakPolarHBondContact CA-O 3.06Å; I167-C169 PolarHBondContact O-N 3.38Å; C169-N171 PolarHBondContact O-N 3.1Å; C169-N171 VanDerWaalsContact O-N 3.08Å; C169-M180 HydrophobicContact CB-CE 3.84Å; C169-M180 HydrophobicContact CB-CG 3.83Å; C169-M180 HydrophobicContact CB-SD 3.92Å
170N93.9Very high93.7Very high13 Ų1336.9 Ų36.97%0.0718%0.182CC..  trans-76.789.8173.3-175.5-2.6000111.2E19 T20 I22 K172 G173 S176E19-N170 PolarHBondContact O-ND2 3.07Å; T20-N170 PolarHBondContact O-N 3.05Å; I22-N170 WeakPolarHBondContact O-CB 3.46Å; I22-N170 PolarHBondContact O-ND2 3.47Å; N170-K172 PolarHBondContact O-N 3.41Å; N170-K172 PolarHBondContact OD1-N 2.66Å; N170-K172 VanDerWaalsContact OD1-N 3.16Å; N170-G173 PolarHBondContact OD1-N 3.1Å; N170-S176 WeakPolarHBondContact CB-OG 3.4Å; N170-S176 WeakPolarHBondContact O-CB 3.48Å; N170-S176 PolarHBondContact O-OG 3.23Å
171N90.9Very high93.8Very high2 Ų235.7 Ų35.71%0.01118%0.175CC..SBendtrans-8117.117874.75.8000114.8R86 D132 F153 N155 S158 C169 I177R86-N171 PolarHBondContact NH1-O 3.44Å; R86-N171 PolarHBondContact NH1-OD1 3.13Å; D132-N171 WeakPolarHBondContact CB-ND2 3.34Å; D132-N171 PolarHBondContact OD1-ND2 3.46Å; F153-N171 PolarHBondContact O-ND2 3.04Å; N155-N171 WeakPolarHBondContact CB-OD1 3.4Å; N155-N171 PolarHBondContact ND2-OD1 3.01Å; S158-N171 PolarHBondContact OG-ND2 3.05Å; C169-N171 PolarHBondContact O-N 3.1Å; C169-N171 VanDerWaalsContact O-N 3.08Å; N171-I177 WeakPolarHBondContact O-CD1 3.45Å
172K88.6Confident93.8Very high91 Ų9128.1 Ų28.140%0.39614%0.143SC..SBendtrans-107.8-34.2178.1-62.5175.7-173.8176.90112.6S24 D157 N170S24-K172 PolarHBondContact OG-NZ 3.35Å; D157-K172 IonicContact OD1-NZ 3.4Å; D157-K172 PolarHBondContact OD1-NZ 3.02Å; D157-K172 IonicContact OD2-NZ 2.71Å; D157-K172 PolarHBondContact OD2-NZ 2.79Å; N170-K172 PolarHBondContact O-N 3.41Å; N170-K172 PolarHBondContact OD1-N 2.66Å; N170-K172 VanDerWaalsContact OD1-N 3.16Å
173G88.9Confident93.8Very high19 Ų1922.2 Ų22.220%0.19612%0.117CC..SBendtrans-80.8131.9177.600000112.6N170 K175 S176 I177N170-G173 PolarHBondContact OD1-N 3.1Å; G173-K175 PolarHBondContact O-N 2.91Å; G173-S176 PolarHBondContact O-N 2.89Å; G173-I177 WeakPolarHBondContact O-CG1 3.34Å; G173-I177 PolarHBondContact O-N 2.75Å; G173-I177 VanDerWaalsContact O-N 3.12Å
174P91.1Very high93.8Very high48 Ų4821.3 Ų21.331%0.31211%0.111SC..Hα-helixtrans-62.7-40.6-177.323.3-32.9000112.6Y88 I177 G178Y88-P174 HydrophobicContact CD1-CB 3.97Å; Y88-P174 HydrophobicContact CG-CB 4.04Å; P174-I177 PolarHBondContact O-N 3.46Å; P174-G178 PolarHBondContact O-N 3Å
175K92.9Very high93.7Very high128 Ų12816.2 Ų16.256%0.5578%0.084SC*.Hα-helixtrans-64.1-40.7176.4-62.5-178.1-179179.80112.2A18 G173 L179 F216A18-K175 HydrophobicContact CB-CB 4.21Å; G173-K175 PolarHBondContact O-N 2.91Å; K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 PolarHBondContact O-N 3.46Å; K175-F216 HydrophobicContact CB-CE1 4.16Å; K175-F216 HydrophobicContact CB-CE2 4.46Å; K175-F216 HydrophobicContact CB-CZ 4.12Å; K175-F216 HydrophobicContact CG-CD2 4.34Å; K175-F216 HydrophobicContact CG-CE2 4.2Å; K175-F216 HydrophobicContact CG-CZ 4.37Å; K175-F216 WeakPolarHBondContact O-CE1 3.3Å
176S93.9Very high93.5Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-63.2-47.6177.2172.80000111.7A18 N170 G173 G178 L179 M180A18-S176 WeakPolarHBondContact O-CB 3.07Å; N170-S176 WeakPolarHBondContact CB-OG 3.4Å; N170-S176 WeakPolarHBondContact O-CB 3.48Å; N170-S176 PolarHBondContact O-OG 3.23Å; G173-S176 PolarHBondContact O-N 2.89Å; S176-G178 PolarHBondContact O-N 3.18Å; S176-L179 PolarHBondContact O-N 3.37Å; S176-M180 VanDerWaalsContact O-CG 3.23Å; S176-M180 WeakPolarHBondContact O-CG 3.06Å; S176-M180 PolarHBondContact O-N 3.12Å
177I94.4Very high93.2Very high6 Ų615.7 Ų15.73%0.0318%0.079CC..Hα-helixtrans-58.5-52.1179.7-63.9162.4000110.7Y88 N171 G173 P174 L179 M180 W181Y88-I177 HydrophobicContact CD2-CD1 4.41Å; N171-I177 WeakPolarHBondContact O-CD1 3.45Å; G173-I177 WeakPolarHBondContact O-CG1 3.34Å; G173-I177 PolarHBondContact O-N 2.75Å; G173-I177 VanDerWaalsContact O-N 3.12Å; P174-I177 PolarHBondContact O-N 3.46Å; I177-L179 PolarHBondContact O-N 3.12Å; I177-M180 PolarHBondContact O-N 3.22Å; I177-W181 PolarHBondContact O-N 3.4Å; I177-W181 VanDerWaalsContact O-N 3.14Å
178G93.8Very high93Very high0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-64.5-38.2-178.500000113.3P174 S176 W181 W182 Y215P174-G178 PolarHBondContact O-N 3Å; S176-G178 PolarHBondContact O-N 3.18Å; G178-W181 PolarHBondContact O-N 2.95Å; G178-W182 PolarHBondContact O-N 3.25Å; G178-Y215 WeakPolarHBondContact O-CB 3.44Å
179L94.5Very high92.8Very high3 Ų315.7 Ų15.72%0.0168%0.079CC..Hα-helixtrans-61.1-46173.4179.4162000111.3L14 F15 A18 T20 K175 S176 I177 W181 W182 M183 V212 F216L14-L179 HydrophobicContact CB-CD1 3.74Å; L14-L179 VanDerWaalsContact O-CD1 3.25Å; L14-L179 WeakPolarHBondContact O-CD1 3.45Å; F15-L179 HydrophobicContact CD1-CD2 3.51Å; F15-L179 HydrophobicContact CE1-CD2 3.41Å; F15-L179 VanDerWaalsContact CE1-CD2 3.41Å; A18-L179 HydrophobicContact CB-CB 4.24Å; A18-L179 HydrophobicContact CB-CD1 3.52Å; T20-L179 HydrophobicContact CG2-CD1 4.45Å; T20-L179 HydrophobicContact CG2-CD2 4.23Å; K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact O-N 3.37Å; I177-L179 PolarHBondContact O-N 3.12Å; L179-W181 VanDerWaalsContact C-N 3.3Å; L179-W181 PolarHBondContact O-N 2.82Å; L179-W182 PolarHBondContact O-N 3.07Å; L179-W182 VanDerWaalsContact O-N 3.17Å; L179-M183 HydrophobicContact CD2-CE 4.31Å; L179-M183 HydrophobicContact CD2-CG 3.58Å; L179-M183 HydrophobicContact CG-CG 4.3Å; L179-M183 WeakPolarHBondContact O-CB 3.11Å; L179-M183 WeakPolarHBondContact O-CG 3.33Å; L179-M183 PolarHBondContact O-N 2.87Å; L179-V212 HydrophobicContact CB-CG1 4.08Å; L179-V212 HydrophobicContact CG-CG1 4.34Å; L179-F216 HydrophobicContact CB-CE1 4.31Å
180M95.2Very high92.6Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-62.4-38.2-178-69.8-62.5-58.200111.5F15 T20 L64 F153 I167 C169 S176 I177 L184F15-M180 HydrophobicContact CD1-SD 4.37Å; F15-M180 HydrophobicContact CE1-SD 3.77Å; T20-M180 HydrophobicContact CG2-SD 4.5Å; L64-M180 HydrophobicContact CD1-CE 3.8Å; F153-M180 HydrophobicContact CD1-CB 4.32Å; F153-M180 HydrophobicContact CD1-CE 4.14Å; F153-M180 HydrophobicContact CE1-CB 3.78Å; F153-M180 HydrophobicContact CE1-CE 3.7Å; F153-M180 HydrophobicContact CE2-CB 4.16Å; F153-M180 HydrophobicContact CZ-CB 3.69Å; I167-M180 HydrophobicContact CG2-CE 3.54Å; C169-M180 HydrophobicContact CB-CE 3.84Å; C169-M180 HydrophobicContact CB-CG 3.83Å; C169-M180 HydrophobicContact CB-SD 3.92Å; S176-M180 VanDerWaalsContact O-CG 3.23Å; S176-M180 WeakPolarHBondContact O-CG 3.06Å; S176-M180 PolarHBondContact O-N 3.12Å; I177-M180 PolarHBondContact O-N 3.22Å; M180-L184 VanDerWaalsContact O-CB 3.26Å; M180-L184 WeakPolarHBondContact O-CB 3.48Å; M180-L184 PolarHBondContact O-N 3.05Å
181W95.6Very high92.4Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-66.2-43171.3-76.1110.7000113.4V82 A92 I93 F96 V129 C131 F153 I177 G178 L179 L184 A185 Y215V82-W181 HydrophobicContact CG1-CE3 4.27Å; V82-W181 HydrophobicContact CG1-CH2 3.18Å; V82-W181 HydrophobicContact CG1-CZ2 4.02Å; V82-W181 HydrophobicContact CG1-CZ3 3.33Å; A92-W181 HydrophobicContact CB-CB 4Å; A92-W181 HydrophobicContact CB-CG 3.82Å; I93-W181 HydrophobicContact CD1-CH2 4.24Å; I93-W181 HydrophobicContact CD1-CZ2 3.64Å; I93-W181 HydrophobicContact CG1-CD2 4.14Å; I93-W181 HydrophobicContact CG1-CH2 4.08Å; I93-W181 HydrophobicContact CG1-CZ2 3.54Å; F96-W181 HydrophobicContact CB-CE3 4Å; F96-W181 HydrophobicContact CD1-CE3 4.19Å; F96-W181 HydrophobicContact CD1-CZ3 4.09Å; F96-W181 AromaticContact CD2-CE3 3.67Å; F96-W181 HydrophobicContact CD2-CE3 3.67Å; F96-W181 HydrophobicContact CD2-CZ3 4.22Å; F96-W181 HydrophobicContact CE1-CZ3 4.33Å; F96-W181 HydrophobicContact CE2-CE3 4.24Å; F96-W181 HydrophobicContact CE2-CZ3 4.47Å; F96-W181 AromaticContact CG-CE3 3.66Å; F96-W181 HydrophobicContact CG-CE3 3.66Å; F96-W181 HydrophobicContact CG-CZ3 4.04Å; V129-W181 HydrophobicContact CB-CH2 3.99Å; V129-W181 HydrophobicContact CB-CZ3 4.34Å; V129-W181 HydrophobicContact CG1-CH2 3.48Å; V129-W181 VanDerWaalsContact CG1-CH2 3.48Å; V129-W181 HydrophobicContact CG1-CZ3 3.76Å; C131-W181 PolarHBondContact SG-NE1 3.08Å; F153-W181 AromaticContact CD2-CE2 3.99Å; F153-W181 AromaticContact CD2-CZ2 4Å; F153-W181 HydrophobicContact CD2-CZ2 4Å; F153-W181 AromaticContact CE2-CD2 3.69Å; F153-W181 HydrophobicContact CE2-CD2 3.69Å; F153-W181 AromaticContact CE2-CE2 3.5Å; F153-W181 HydrophobicContact CE2-CE3 4.1Å; F153-W181 HydrophobicContact CE2-CG 4.09Å; F153-W181 HydrophobicContact CE2-CH2 4.13Å; F153-W181 AromaticContact CE2-CZ2 3.74Å; F153-W181 HydrophobicContact CE2-CZ2 3.74Å; F153-W181 HydrophobicContact CE2-CZ3 4.3Å; F153-W181 AromaticContact CE2-NE1 3.81Å; F153-W181 HydrophobicContact CZ-CD2 4.5Å; I177-W181 PolarHBondContact O-N 3.4Å; I177-W181 VanDerWaalsContact O-N 3.14Å; G178-W181 PolarHBondContact O-N 2.95Å; L179-W181 VanDerWaalsContact C-N 3.3Å; L179-W181 PolarHBondContact O-N 2.82Å; W181-L184 PolarHBondContact O-N 2.85Å; W181-A185 PolarHBondContact O-N 3.25Å; W181-Y215 HydrophobicContact CB-CD1 3.67Å; W181-Y215 HydrophobicContact CB-CE1 4.02Å
182W94.4Very high92.3Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-61.5-46.7176.8179.597.1000111.7L14 G178 L179 L184 A185 R186 F203 I210 V212 Y215L14-W182 HydrophobicContact CD1-CH2 4.41Å; L14-W182 HydrophobicContact CD1-CZ3 4.07Å; G178-W182 PolarHBondContact O-N 3.25Å; L179-W182 PolarHBondContact O-N 3.07Å; L179-W182 VanDerWaalsContact O-N 3.17Å; W182-L184 VanDerWaalsContact C-N 3.34Å; W182-L184 PolarHBondContact O-N 2.98Å; W182-A185 PolarHBondContact O-N 3.17Å; W182-R186 WeakPolarHBondContact O-CB 3.37Å; W182-R186 PolarHBondContact O-N 3.14Å; W182-F203 HydrophobicContact CH2-CB 4.29Å; W182-F203 HydrophobicContact CZ2-CB 3.43Å; W182-F203 VanDerWaalsContact CZ2-CB 3.43Å; W182-F203 AromaticContact NE1-CD1 3.77Å; W182-I210 PolarHBondContact NE1-O 3.02Å; W182-V212 HydrophobicContact CB-CG1 4.2Å; W182-V212 HydrophobicContact CD2-CB 4.42Å; W182-V212 HydrophobicContact CD2-CG1 4.42Å; W182-V212 HydrophobicContact CD2-CG2 3.84Å; W182-V212 HydrophobicContact CE3-CG2 4.05Å; W182-V212 HydrophobicContact CG-CB 4.39Å; W182-V212 HydrophobicContact CG-CG1 4.2Å; W182-V212 HydrophobicContact CG-CG2 4.32Å; W182-V212 HydrophobicContact CH2-CG2 4.2Å; W182-V212 HydrophobicContact CZ2-CG2 3.99Å; W182-V212 HydrophobicContact CZ3-CG2 4.23Å; W182-Y215 HydrophobicContact CB-CD1 4.37Å; W182-Y215 HydrophobicContact CB-CD2 3.8Å; W182-Y215 HydrophobicContact CB-CE2 3.96Å; W182-Y215 HydrophobicContact CB-CG 3.99Å; W182-Y215 AromaticContact CD1-CD2 3.59Å; W182-Y215 AromaticContact CD1-CE2 3.45Å; W182-Y215 VanDerWaalsContact CD1-CE2 3.45Å; W182-Y215 HydrophobicContact CG-CD2 4.11Å; W182-Y215 HydrophobicContact CG-CE2 4.06Å
183M93Very high92.2Very high0 Ų021.2 Ų21.20%013%0.126CC..Hα-helixtrans-60.2-44.3175.5-75.8-69.4-174.700111.3D11 L14 F15 W61 L64 L179 R186 E187D11-M183 HydrophobicContact CB-CE 3.96Å; L14-M183 HydrophobicContact CB-CE 4.1Å; L14-M183 HydrophobicContact CD1-CE 3.64Å; F15-M183 HydrophobicContact CE1-CE 4.48Å; F15-M183 HydrophobicContact CE1-CG 4.16Å; F15-M183 HydrophobicContact CZ-CE 4.29Å; F15-M183 HydrophobicContact CZ-CG 4.21Å; F15-M183 HydrophobicContact CZ-SD 4.46Å; W61-M183 HydrophobicContact CZ3-SD 4.43Å; L64-M183 HydrophobicContact CD1-CB 3.6Å; L64-M183 HydrophobicContact CD2-CB 4.46Å; L179-M183 HydrophobicContact CD2-CE 4.31Å; L179-M183 HydrophobicContact CD2-CG 3.58Å; L179-M183 HydrophobicContact CG-CG 4.3Å; L179-M183 WeakPolarHBondContact O-CB 3.11Å; L179-M183 WeakPolarHBondContact O-CG 3.33Å; L179-M183 PolarHBondContact O-N 2.87Å; M183-R186 PolarHBondContact O-N 2.73Å; M183-E187 WeakPolarHBondContact O-CG 3.25Å; M183-E187 PolarHBondContact O-N 3.04Å
184L94.3Very high91.9Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-63.8-45179.3-158.2162.2000110.7I71 F96 F153 I167 M180 W181 W182 R186 E187 V188I71-L184 HydrophobicContact CD1-CD2 3.58Å; F96-L184 HydrophobicContact CE2-CB 4.36Å; F96-L184 HydrophobicContact CE2-CD2 3.44Å; F96-L184 VanDerWaalsContact CE2-CD2 3.44Å; F96-L184 HydrophobicContact CE2-CG 4.46Å; F96-L184 HydrophobicContact CZ-CD2 3.66Å; F153-L184 HydrophobicContact CE1-CD1 4.13Å; F153-L184 HydrophobicContact CZ-CD1 3.64Å; I167-L184 HydrophobicContact CD1-CD1 3.88Å; M180-L184 VanDerWaalsContact O-CB 3.26Å; M180-L184 WeakPolarHBondContact O-CB 3.48Å; M180-L184 PolarHBondContact O-N 3.05Å; W181-L184 PolarHBondContact O-N 2.85Å; W182-L184 VanDerWaalsContact C-N 3.34Å; W182-L184 PolarHBondContact O-N 2.98Å; L184-R186 PolarHBondContact O-N 2.78Å; L184-E187 PolarHBondContact O-N 2.77Å; L184-V188 HydrophobicContact CD2-CG2 3.8Å; L184-V188 VanDerWaalsContact O-CG2 3.26Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 2.98Å
185A93.5Very high91.5Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-58.5-47.7174.300000112.1F96 T100 W181 W182 E187 V188 L189 F203 Y215F96-A185 HydrophobicContact CD2-CB 3.76Å; F96-A185 HydrophobicContact CE2-CB 4Å; T100-A185 HydrophobicContact CG2-CB 4.33Å; W181-A185 PolarHBondContact O-N 3.25Å; W182-A185 PolarHBondContact O-N 3.17Å; A185-E187 PolarHBondContact O-N 2.92Å; A185-V188 PolarHBondContact O-N 2.81Å; A185-L189 PolarHBondContact O-N 3.3Å; A185-F203 HydrophobicContact CB-CE1 4.27Å; A185-F203 HydrophobicContact CB-CZ 4.23Å; A185-Y215 WeakPolarHBondContact CB-OH 3.32Å
186R91.5Very high90.8Very high16 Ų1626.7 Ų26.76%0.0614%0.143CC..Hα-helixtrans-56.2-49.4178.4-170.7-171.979.2179.25.7111.4D11 W182 M183 L184 L189 V190 F203D11-R186 VanDerWaalsContact CG-NH2 3.34Å; D11-R186 IonicContact OD1-CZ 2.66Å; D11-R186 IonicContact OD1-NH1 3.45Å; D11-R186 PolarHBondContact OD1-NH1 3.06Å; D11-R186 IonicContact OD1-NH2 3.78Å; D11-R186 PolarHBondContact OD1-NH2 2.96Å; D11-R186 IonicContact OD2-CZ 3.21Å; D11-R186 IonicContact OD2-NH1 3.7Å; D11-R186 IonicContact OD2-NH2 3.02Å; D11-R186 PolarHBondContact OD2-NH2 3.39Å; W182-R186 WeakPolarHBondContact O-CB 3.37Å; W182-R186 PolarHBondContact O-N 3.14Å; M183-R186 PolarHBondContact O-N 2.73Å; L184-R186 PolarHBondContact O-N 2.78Å; R186-L189 PolarHBondContact O-N 3.45Å; R186-V190 WeakPolarHBondContact O-CB 3.44Å; R186-V190 VanDerWaalsContact O-CG2 3.24Å; R186-V190 WeakPolarHBondContact O-CG2 3.37Å; R186-V190 PolarHBondContact O-N 2.97Å; R186-F203 HydrophobicContact CB-CD2 3.87Å; R186-F203 HydrophobicContact CB-CE2 4.24Å; R186-F203 HydrophobicContact CB-CG 4.17Å; R186-F203 HydrophobicContact CG-CB 4.24Å; R186-F203 HydrophobicContact CG-CD2 3.72Å; R186-F203 HydrophobicContact CG-CE2 4.42Å; R186-F203 HydrophobicContact CG-CG 4.16Å
187E90.7Very high89.6Confident1 Ų130 Ų301%0.00516%0.155CC..Hα-helixtrans-69.7-32-179.6-64.4-49.2134.500113W61 L64 A68 M183 L184 A185 V190 V191 R197W61-E187 HydrophobicContact CH2-CG 4.06Å; W61-E187 WeakPolarHBondContact CH2-OE1 3.43Å; W61-E187 HydrophobicContact CZ3-CG 4.28Å; L64-E187 HydrophobicContact CD2-CB 4.01Å; L64-E187 HydrophobicContact CD2-CG 3.66Å; A68-E187 HydrophobicContact CB-CB 3.67Å; M183-E187 WeakPolarHBondContact O-CG 3.25Å; M183-E187 PolarHBondContact O-N 3.04Å; L184-E187 PolarHBondContact O-N 2.77Å; A185-E187 PolarHBondContact O-N 2.92Å; E187-V190 PolarHBondContact O-N 3.15Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.25Å; E187-V191 WeakPolarHBondContact O-CG2 3.43Å; E187-V191 PolarHBondContact O-N 3.23Å; E187-R197 IonicContact OE1-NE 3Å; E187-R197 IonicContact OE2-CZ 3.08Å; E187-R197 IonicContact OE2-NE 3.25Å; E187-R197 PolarHBondContact OE2-NE 3.22Å; E187-R197 IonicContact OE2-NH2 2.78Å; E187-R197 PolarHBondContact OE2-NH2 3.42Å
188V92.4Very high88.3Confident0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-64-47.4173.41690000111.2A68 I71 T100 L184 A185 V190 V191 R192A68-V188 HydrophobicContact CB-CG2 3.95Å; I71-V188 HydrophobicContact CB-CG2 3.96Å; I71-V188 HydrophobicContact CG2-CB 4.36Å; I71-V188 HydrophobicContact CG2-CG1 3.82Å; I71-V188 HydrophobicContact CG2-CG2 3.52Å; T100-V188 HydrophobicContact CG2-CB 4.43Å; T100-V188 HydrophobicContact CG2-CG1 4.14Å; L184-V188 HydrophobicContact CD2-CG2 3.8Å; L184-V188 VanDerWaalsContact O-CG2 3.26Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 2.98Å; A185-V188 PolarHBondContact O-N 2.81Å; V188-V190 VanDerWaalsContact C-N 3.32Å; V188-V190 PolarHBondContact O-N 2.99Å; V188-V191 PolarHBondContact O-N 3.46Å; V188-R192 WeakPolarHBondContact O-CG 3.43Å; V188-R192 PolarHBondContact O-N 3.32Å
189L91Very high86.8Confident0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-69.3-31.3179.5-60.6-159.7000112.6T100 A185 R186 G193 E194 T195 F203 F205T100-L189 HydrophobicContact CG2-CD2 4.46Å; A185-L189 PolarHBondContact O-N 3.3Å; R186-L189 PolarHBondContact O-N 3.45Å; L189-G193 PolarHBondContact O-N 2.99Å; L189-G193 VanDerWaalsContact O-N 3.1Å; L189-E194 HydrophobicContact CB-CB 4.4Å; L189-E194 PolarHBondContact O-N 2.94Å; L189-T195 PolarHBondContact O-N 3.4Å; L189-F203 HydrophobicContact CB-CE2 4.28Å; L189-F203 HydrophobicContact CD1-CE2 3.76Å; L189-F203 HydrophobicContact CD1-CZ 3.69Å; L189-F203 HydrophobicContact CG-CE2 4.19Å; L189-F203 HydrophobicContact CG-CZ 4.23Å; L189-F205 HydrophobicContact CD1-CD2 3.34Å; L189-F205 HydrophobicContact CD1-CE2 3.79Å; L189-F205 HydrophobicContact CD1-CG 4.34Å
190V89.6Confident85.1Confident29 Ų2943.5 Ų43.518%0.17622%0.222CC..Hα-helixtrans-63.6-46.1170.1164.40000111.7R186 E187 V188 R192 G193 T195 R197R186-V190 WeakPolarHBondContact O-CB 3.44Å; R186-V190 VanDerWaalsContact O-CG2 3.24Å; R186-V190 WeakPolarHBondContact O-CG2 3.37Å; R186-V190 PolarHBondContact O-N 2.97Å; E187-V190 PolarHBondContact O-N 3.15Å; V188-V190 VanDerWaalsContact C-N 3.32Å; V188-V190 PolarHBondContact O-N 2.99Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.4Å; V190-G193 PolarHBondContact O-N 3.28Å; V190-G193 VanDerWaalsContact O-N 3.1Å; V190-T195 WeakPolarHBondContact CA-O 3.25Å; V190-R197 HydrophobicContact CB-CG 4.32Å; V190-R197 HydrophobicContact CG1-CG 3.68Å; V190-R197 HydrophobicContact CG2-CG 3.66Å
191V90.4Very high83.5Confident67 Ų6748.4 Ų48.441%0.40624%0.244SC..Hα-helixtrans-69.1-31.8179.7174.60000111.5R69 A72 E187 V188 G193R69-V191 HydrophobicContact CG-CG1 4.38Å; R69-V191 HydrophobicContact CG-CG2 4.32Å; A72-V191 HydrophobicContact CB-CB 4Å; A72-V191 HydrophobicContact CB-CG1 3.48Å; A72-V191 VanDerWaalsContact CB-CG1 3.48Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.25Å; E187-V191 WeakPolarHBondContact O-CG2 3.43Å; E187-V191 PolarHBondContact O-N 3.23Å; V188-V191 PolarHBondContact O-N 3.46Å; V191-G193 VanDerWaalsContact C-N 3.26Å; V191-G193 PolarHBondContact O-N 2.9Å
192R88.8Confident82Confident66 Ų6654.4 Ų54.425%0.24927%0.266CS..Hα-helixtrans-71.4-16.4170.6-70.8179.3-178.8172.23.1113.9A72 T100 V188 V190 E194A72-R192 HydrophobicContact CB-CG 4.18Å; T100-R192 PolarHBondContact O-NH1 3Å; V188-R192 WeakPolarHBondContact O-CG 3.43Å; V188-R192 PolarHBondContact O-N 3.32Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.4Å; R192-E194 VanDerWaalsContact C-N 3.34Å; R192-E194 HydrophobicContact CB-CG 4.24Å; R192-E194 VanDerWaalsContact CD-OE1 3.29Å; R192-E194 WeakPolarHBondContact CD-OE1 3.13Å
193G85.7Confident81Confident63 Ų6354.4 Ų54.465%0.64927%0.266SS*.THydrogen-bonded Turntrans81.66.7-178.700000115.1L189 V190 V191 T195L189-G193 PolarHBondContact O-N 2.99Å; L189-G193 VanDerWaalsContact O-N 3.1Å; V190-G193 PolarHBondContact O-N 3.28Å; V190-G193 VanDerWaalsContact O-N 3.1Å; V191-G193 VanDerWaalsContact C-N 3.26Å; V191-G193 PolarHBondContact O-N 2.9Å; G193-T195 VanDerWaalsContact C-N 3.34Å
194E83.8Confident79.7Confident114 Ų11457.3 Ų57.353%0.53328%0.281SS..SBendtrans-69.1-34.7176.2-65.5174.7-134.200111.7L189 R192L189-E194 HydrophobicContact CB-CB 4.4Å; L189-E194 PolarHBondContact O-N 2.94Å; R192-E194 VanDerWaalsContact C-N 3.34Å; R192-E194 HydrophobicContact CB-CG 4.24Å; R192-E194 VanDerWaalsContact CD-OE1 3.29Å; R192-E194 WeakPolarHBondContact CD-OE1 3.13Å
195T81.3Confident78.6Confident14 Ų1458.5 Ų58.59%0.08629%0.286CS..SBendtrans-125.2136-177.6-54.10000110L189 V190 G193 M204L189-T195 PolarHBondContact O-N 3.4Å; V190-T195 WeakPolarHBondContact CA-O 3.25Å; G193-T195 VanDerWaalsContact C-N 3.34Å; T195-M204 HydrophobicContact CG2-CB 4.12Å; T195-M204 VanDerWaalsContact CG2-O 3.25Å; T195-M204 WeakPolarHBondContact CG2-O 3.31Å; T195-M204 PolarHBondContact OG1-O 2.97Å
196K78Confident77.6Confident182 Ų18267.3 Ų67.379%0.79132%0.324SS*.  trans-85144.6169.1-67.4179-177.6173.60109.8E198K196-E198 PolarHBondContact O-N 3.06Å
197R70.7Confident76.6Confident69 Ų6969.5 Ų69.526%0.2635%0.351SS..  trans-68.896.3167-70.5-171.9-176.21611.4109.3S4 Q65 E187 V190S4-R197 PolarHBondContact O-NH1 2.99Å; S4-R197 PolarHBondContact O-NH2 3.25Å; Q65-R197 VanDerWaalsContact NE2-NH2 3.11Å; E187-R197 IonicContact OE1-NE 3Å; E187-R197 IonicContact OE2-CZ 3.08Å; E187-R197 IonicContact OE2-NE 3.25Å; E187-R197 PolarHBondContact OE2-NE 3.22Å; E187-R197 IonicContact OE2-NH2 2.78Å; E187-R197 PolarHBondContact OE2-NH2 3.42Å; V190-R197 HydrophobicContact CB-CG 4.32Å; V190-R197 HydrophobicContact CG1-CG 3.68Å; V190-R197 HydrophobicContact CG2-CG 3.66Å
198E66.8Low76Confident97 Ų9776.1 Ų76.145%0.45338%0.382SS..  trans-79.4154165.8-63.8-168.2166.400110.2K196 R202K196-E198 PolarHBondContact O-N 3.06Å; E198-R202 VanDerWaalsContact OE2-CD 3.22Å; E198-R202 WeakPolarHBondContact OE2-CD 3.41Å; E198-R202 IonicContact OE2-CZ 2.71Å; E198-R202 IonicContact OE2-NE 2.68Å; E198-R202 IonicContact OE2-NH1 3.78Å; E198-R202 PolarHBondContact OE2-NH1 3.1Å
199K61Low75.5Confident172 Ų17279.9 Ų79.975%0.74840%0.402SS*.SBendtrans-74.9132.5177.2-67.7179.4179.3176.10109.5
200G59.6Low75.2Confident24 Ų2480.2 Ų80.225%0.24740%0.404CS..SBendtrans103.8-174.6-179.900000114.1R202G200-R202 PolarHBondContact O-N 3.47Å
201F61.5Low75.1Confident103 Ų10384.9 Ų84.945%0.45243%0.425SS..SBendtrans-76.729.9-170.2-49-64.3000115.1D10 K13 L14D10-F201 HydrophobicContact CB-CD1 4.23Å; D10-F201 HydrophobicContact CB-CE1 3.72Å; D10-F201 HydrophobicContact CB-CZ 4.19Å; D10-F201 WeakPolarHBondContact O-CE1 3.23Å; K13-F201 HydrophobicContact CD-CZ 4.28Å; L14-F201 HydrophobicContact CD1-CD1 3.69Å; L14-F201 HydrophobicContact CD1-CE1 4.26Å; L14-F201 HydrophobicContact CD2-CD1 3.86Å; L14-F201 HydrophobicContact CD2-CE1 3.97Å; L14-F201 HydrophobicContact CG-CD1 3.67Å; L14-F201 HydrophobicContact CG-CE1 3.75Å
202R65.1Low75.1Confident125 Ų12582.4 Ų82.447%0.47241%0.41SS..  trans-99.3123.5-170.6-164.7-177-75.7173.1-7.1111.2E198 G200 M204 N209E198-R202 VanDerWaalsContact OE2-CD 3.22Å; E198-R202 WeakPolarHBondContact OE2-CD 3.41Å; E198-R202 IonicContact OE2-CZ 2.71Å; E198-R202 IonicContact OE2-NE 2.68Å; E198-R202 IonicContact OE2-NH1 3.78Å; E198-R202 PolarHBondContact OE2-NH1 3.1Å; G200-R202 PolarHBondContact O-N 3.47Å; R202-M204 HydrophobicContact CG-CG 3.92Å; R202-M204 HydrophobicContact CG-SD 3.98Å; R202-N209 HydrophobicContact CG-CB 4.4Å; R202-N209 VanDerWaalsContact CG-OD1 3.3Å; R202-N209 WeakPolarHBondContact CG-OD1 3.14Å
203F72.1Confident75.1Confident0 Ų083.9 Ų83.90%042%0.423CS..  trans-114.1101.2166.1172.3-139.4000108H99 W182 A185 R186 L189 F205 N209 I210H99-F203 HydrophobicContact CB-CZ 4.48Å; W182-F203 HydrophobicContact CH2-CB 4.29Å; W182-F203 HydrophobicContact CZ2-CB 3.43Å; W182-F203 VanDerWaalsContact CZ2-CB 3.43Å; W182-F203 AromaticContact NE1-CD1 3.77Å; A185-F203 HydrophobicContact CB-CE1 4.27Å; A185-F203 HydrophobicContact CB-CZ 4.23Å; R186-F203 HydrophobicContact CB-CD2 3.87Å; R186-F203 HydrophobicContact CB-CE2 4.24Å; R186-F203 HydrophobicContact CB-CG 4.17Å; R186-F203 HydrophobicContact CG-CB 4.24Å; R186-F203 HydrophobicContact CG-CD2 3.72Å; R186-F203 HydrophobicContact CG-CE2 4.42Å; R186-F203 HydrophobicContact CG-CG 4.16Å; L189-F203 HydrophobicContact CB-CE2 4.28Å; L189-F203 HydrophobicContact CD1-CE2 3.76Å; L189-F203 HydrophobicContact CD1-CZ 3.69Å; L189-F203 HydrophobicContact CG-CE2 4.19Å; L189-F203 HydrophobicContact CG-CZ 4.23Å; F203-F205 HydrophobicContact CZ-CB 4.35Å; F203-N209 PolarHBondContact N-OD1 3.41Å; F203-I210 HydrophobicContact CD1-CB 3.64Å; F203-I210 HydrophobicContact CD1-CD1 4.32Å; F203-I210 HydrophobicContact CD1-CG1 4.42Å; F203-I210 HydrophobicContact CD1-CG2 3.82Å; F203-I210 HydrophobicContact CE1-CB 4.24Å; F203-I210 HydrophobicContact CE1-CD1 4.06Å; F203-I210 HydrophobicContact CE1-CG2 4.26Å; F203-I210 HydrophobicContact CG-CB 4.38Å; F203-I210 PolarHBondContact O-N 3.07Å
204M66.7Low75.4Confident62 Ų6283.5 Ų83.531%0.30541%0.406SS..EExtended strand (participates in β ladder)trans-82.6122.2176.8-66.9-66.2-78.300110T195 R202 G207 E208 N209T195-M204 HydrophobicContact CG2-CB 4.12Å; T195-M204 VanDerWaalsContact CG2-O 3.25Å; T195-M204 WeakPolarHBondContact CG2-O 3.31Å; T195-M204 PolarHBondContact OG1-O 2.97Å; R202-M204 HydrophobicContact CG-CG 3.92Å; R202-M204 HydrophobicContact CG-SD 3.98Å; M204-G207 WeakPolarHBondContact CE-O 3.16Å; M204-E208 WeakPolarHBondContact CA-O 3.29Å; M204-N209 HydrophobicContact SD-CB 4.25Å
205F69.5Low75.8Confident25 Ų2578.1 Ų78.111%0.1138%0.381CS..EExtended strand (participates in β ladder)trans-130.5123.9169.5180-116.2000108.9H99 L189 F203 G207 E208 I210H99-F205 HydrophobicContact CB-CD1 4.5Å; H99-F205 HydrophobicContact CB-CE1 4.37Å; H99-F205 HydrophobicContact CB-CE2 4.39Å; H99-F205 HydrophobicContact CB-CZ 4.29Å; H99-F205 AromaticContact CD2-CD1 3.65Å; H99-F205 AromaticContact CD2-CE1 3.68Å; H99-F205 WeakPolarHBondContact O-CE2 3.5Å; H99-F205 WeakPolarHBondContact O-CZ 3.41Å; L189-F205 HydrophobicContact CD1-CD2 3.34Å; L189-F205 HydrophobicContact CD1-CE2 3.79Å; L189-F205 HydrophobicContact CD1-CG 4.34Å; F203-F205 HydrophobicContact CZ-CB 4.35Å; F205-G207 PolarHBondContact O-N 2.84Å; F205-E208 PolarHBondContact N-O 3.37Å; F205-E208 PolarHBondContact O-N 3.4Å; F205-I210 HydrophobicContact CB-CD1 3.53Å; F205-I210 HydrophobicContact CB-CG1 4.21Å; F205-I210 HydrophobicContact CD1-CD1 3.96Å; F205-I210 HydrophobicContact CG-CD1 4.11Å
206K74Confident76.3Confident185 Ų18579.2 Ų79.280%0.80439%0.385SS*.THydrogen-bonded Turntrans50.825.4-178.8-61.4-176.7176.6179.20115.5
207G70.4Confident76.8Confident61 Ų6173.3 Ų73.363%0.62936%0.358SS*.THydrogen-bonded Turntrans95.2-10.6-178.400000115M204 F205M204-G207 WeakPolarHBondContact CE-O 3.16Å; F205-G207 PolarHBondContact O-N 2.84Å
208E76.8Confident77.6Confident141 Ų14173.9 Ų73.966%0.65936%0.36SS*.EExtended strand (participates in β ladder)trans-92.1143.5176.2-65.5179.1-176.900111.5M204 F205M204-E208 WeakPolarHBondContact CA-O 3.29Å; F205-E208 PolarHBondContact N-O 3.37Å; F205-E208 PolarHBondContact O-N 3.4Å
209N83.5Confident78.3Confident78 Ų7872.3 Ų72.342%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-88.2106.2172177.930.4000110.3R202 F203 M204 M211R202-N209 HydrophobicContact CG-CB 4.4Å; R202-N209 VanDerWaalsContact CG-OD1 3.3Å; R202-N209 WeakPolarHBondContact CG-OD1 3.14Å; F203-N209 PolarHBondContact N-OD1 3.41Å; M204-N209 HydrophobicContact SD-CB 4.25Å; N209-M211 PolarHBondContact O-N 3.3Å
210I84.9Confident79.3Confident8 Ų867.8 Ų67.84%0.04134%0.343CS..  trans-85.3108.6-178.8-62.1-170000110.2H99 W182 F203 F205 L214 Y215H99-I210 WeakPolarHBondContact NE2-CD1 3.3Å; W182-I210 PolarHBondContact NE1-O 3.02Å; F203-I210 HydrophobicContact CD1-CB 3.64Å; F203-I210 HydrophobicContact CD1-CD1 4.32Å; F203-I210 HydrophobicContact CD1-CG1 4.42Å; F203-I210 HydrophobicContact CD1-CG2 3.82Å; F203-I210 HydrophobicContact CE1-CB 4.24Å; F203-I210 HydrophobicContact CE1-CD1 4.06Å; F203-I210 HydrophobicContact CE1-CG2 4.26Å; F203-I210 HydrophobicContact CG-CB 4.38Å; F203-I210 PolarHBondContact O-N 3.07Å; F205-I210 HydrophobicContact CB-CD1 3.53Å; F205-I210 HydrophobicContact CB-CG1 4.21Å; F205-I210 HydrophobicContact CD1-CD1 3.96Å; F205-I210 HydrophobicContact CG-CD1 4.11Å; I210-L214 HydrophobicContact CG2-CD2 3.84Å; I210-Y215 HydrophobicContact CG2-CE2 4.06Å
211M87.4Confident80.3Confident126 Ų12673 Ų7362%0.62136%0.361SS*.  trans-69.2153.4173-61.5-173.1-177.700112.1N209 D213 L214N209-M211 PolarHBondContact O-N 3.3Å; M211-D213 VanDerWaalsContact C-N 3.27Å; M211-D213 PolarHBondContact O-N 2.9Å; M211-L214 WeakPolarHBondContact O-CB 3.46Å; M211-L214 PolarHBondContact O-N 3.36Å
212V88.6Confident81Confident15 Ų1573.2 Ų73.29%0.09136%0.363CS..G310 helixtrans-60.5-39.2-179.6-168.70000111.3L14 L179 W182 L214 Y215 F216L14-V212 HydrophobicContact CD1-CG2 4.28Å; L179-V212 HydrophobicContact CB-CG1 4.08Å; L179-V212 HydrophobicContact CG-CG1 4.34Å; W182-V212 HydrophobicContact CB-CG1 4.2Å; W182-V212 HydrophobicContact CD2-CB 4.42Å; W182-V212 HydrophobicContact CD2-CG1 4.42Å; W182-V212 HydrophobicContact CD2-CG2 3.84Å; W182-V212 HydrophobicContact CE3-CG2 4.05Å; W182-V212 HydrophobicContact CG-CB 4.39Å; W182-V212 HydrophobicContact CG-CG1 4.2Å; W182-V212 HydrophobicContact CG-CG2 4.32Å; W182-V212 HydrophobicContact CH2-CG2 4.2Å; W182-V212 HydrophobicContact CZ2-CG2 3.99Å; W182-V212 HydrophobicContact CZ3-CG2 4.23Å; V212-L214 PolarHBondContact O-N 3.37Å; V212-Y215 WeakPolarHBondContact O-CB 3.45Å; V212-Y215 PolarHBondContact O-N 2.91Å; V212-F216 HydrophobicContact CB-CZ 4.45Å; V212-F216 HydrophobicContact CG1-CE1 3.76Å; V212-F216 HydrophobicContact CG1-CZ 3.81Å
213D89.8Confident81.6Confident98 Ų9868 Ų6852%0.52435%0.346SS..G310 helixtrans-61.5-20.5-174.3-52.8-14.5000113.6R91 M211 Y215 F216R91-D213 PolarHBondContact NH1-O 2.69Å; M211-D213 VanDerWaalsContact C-N 3.27Å; M211-D213 PolarHBondContact O-N 2.9Å; D213-Y215 PolarHBondContact O-N 3.26Å; D213-F216 HydrophobicContact CB-CD2 4.1Å; D213-F216 HydrophobicContact CB-CE2 4.4Å; D213-F216 PolarHBondContact O-N 3.33Å; D213-F216 VanDerWaalsContact O-N 3.12Å; D213-F216 WeakPolarHBondContact OD1-CE2 3.06Å
214L91.2Very high81.9Confident55 Ų5574.2 Ų74.229%0.28838%0.376SS..G310 helixtrans-59.9-28.5173-170.865.5000112.4K95 I210 M211 V212K95-L214 HydrophobicContact CD-CD1 4.37Å; K95-L214 HydrophobicContact CD-CD2 4.09Å; K95-L214 HydrophobicContact CD-CG 3.94Å; K95-L214 HydrophobicContact CG-CG 4.2Å; I210-L214 HydrophobicContact CG2-CD2 3.84Å; M211-L214 WeakPolarHBondContact O-CB 3.46Å; M211-L214 PolarHBondContact O-N 3.36Å; V212-L214 PolarHBondContact O-N 3.37Å
215Y92.4Very high82.5Confident0 Ų077.5 Ų77.50%039%0.388CS..G310 helixtrans-90.9-15.9178.2-73.7-109.1000113.3A92 K95 F96 H99 G178 W181 W182 A185 I210 V212 D213A92-Y215 WeakPolarHBondContact CA-O 3.46Å; A92-Y215 HydrophobicContact CB-CD1 4.22Å; A92-Y215 VanDerWaalsContact CB-O 3.31Å; A92-Y215 WeakPolarHBondContact CB-O 3.46Å; A92-Y215 VanDerWaalsContact O-CD1 3.32Å; A92-Y215 WeakPolarHBondContact O-CD1 3.49Å; K95-Y215 HydrophobicContact CB-CD1 4.03Å; K95-Y215 HydrophobicContact CB-CD2 4.38Å; K95-Y215 HydrophobicContact CB-CE1 3.98Å; K95-Y215 HydrophobicContact CB-CE2 4.32Å; K95-Y215 HydrophobicContact CB-CG 4.27Å; F96-Y215 HydrophobicContact CB-CE1 4.06Å; H99-Y215 AromaticContact CE1-CE2 3.9Å; H99-Y215 AromaticContact CE1-CZ 3.93Å; H99-Y215 AromaticContact ND1-CE2 3.9Å; H99-Y215 AromaticContact ND1-CZ 3.53Å; H99-Y215 PolarHBondContact ND1-OH 2.97Å; G178-Y215 WeakPolarHBondContact O-CB 3.44Å; W181-Y215 HydrophobicContact CB-CD1 3.67Å; W181-Y215 HydrophobicContact CB-CE1 4.02Å; W182-Y215 HydrophobicContact CB-CD1 4.37Å; W182-Y215 HydrophobicContact CB-CD2 3.8Å; W182-Y215 HydrophobicContact CB-CE2 3.96Å; W182-Y215 HydrophobicContact CB-CG 3.99Å; W182-Y215 AromaticContact CD1-CD2 3.59Å; W182-Y215 AromaticContact CD1-CE2 3.45Å; W182-Y215 VanDerWaalsContact CD1-CE2 3.45Å; W182-Y215 HydrophobicContact CG-CD2 4.11Å; W182-Y215 HydrophobicContact CG-CE2 4.06Å; A185-Y215 WeakPolarHBondContact CB-OH 3.32Å; I210-Y215 HydrophobicContact CG2-CE2 4.06Å; V212-Y215 WeakPolarHBondContact O-CB 3.45Å; V212-Y215 PolarHBondContact O-N 2.91Å; D213-Y215 PolarHBondContact O-N 3.26Å
216F92.6Very high82.8Confident37 Ų3780.5 Ų80.516%0.16240%0.403CS..SBendtrans-66.6143.8178-65.4-16.4000110.3R91 K175 L179 V212 D213R91-F216 WeakPolarHBondContact CD-O 3.26Å; R91-F216 PolarHBondContact NH1-O 3.17Å; K175-F216 HydrophobicContact CB-CE1 4.16Å; K175-F216 HydrophobicContact CB-CE2 4.46Å; K175-F216 HydrophobicContact CB-CZ 4.12Å; K175-F216 HydrophobicContact CG-CD2 4.34Å; K175-F216 HydrophobicContact CG-CE2 4.2Å; K175-F216 HydrophobicContact CG-CZ 4.37Å; K175-F216 WeakPolarHBondContact O-CE1 3.3Å; L179-F216 HydrophobicContact CB-CE1 4.31Å; V212-F216 HydrophobicContact CB-CZ 4.45Å; V212-F216 HydrophobicContact CG1-CE1 3.76Å; V212-F216 HydrophobicContact CG1-CZ 3.81Å; D213-F216 HydrophobicContact CB-CD2 4.1Å; D213-F216 HydrophobicContact CB-CE2 4.4Å; D213-F216 PolarHBondContact O-N 3.33Å; D213-F216 VanDerWaalsContact O-N 3.12Å; D213-F216 WeakPolarHBondContact OD1-CE2 3.06Å
217Y88.6Confident82.8Confident59 Ų5975.8 Ų75.823%0.23138%0.383CS..  trans-63.6138.8164.6-174.4-105.6000109.1M87 Y88 D219M87-Y217 HydrophobicContact CB-CE2 4.13Å; M87-Y217 VanDerWaalsContact O-CD2 3.23Å; M87-Y217 WeakPolarHBondContact O-CD2 3.49Å; Y88-Y217 AromaticContact CD1-CD1 3.56Å; Y88-Y217 HydrophobicContact CD1-CD1 3.56Å; Y88-Y217 HydrophobicContact CD1-CE1 4.03Å; Y88-Y217 AromaticContact CD1-CG 3.92Å; Y88-Y217 HydrophobicContact CD1-CG 3.92Å; Y88-Y217 AromaticContact CE1-CD1 4Å; Y88-Y217 HydrophobicContact CE1-CD1 4Å; Y88-Y217 HydrophobicContact CE1-CE1 4.15Å; Y217-D219 WeakPolarHBondContact CD1-OD1 3.28Å; Y217-D219 WeakPolarHBondContact CE1-OD1 3.3Å
218R86.5Confident83Confident81 Ų8177.7 Ų77.731%0.30638%0.383SS..  trans-109.9119.8171.4-161.6-177.3-169.7-168.411.8105.4A223 E226 E227R218-A223 HydrophobicContact CG-CB 3.88Å; R218-E226 IonicContact CZ-OE2 2.73Å; R218-E226 VanDerWaalsContact CZ-OE2 3.25Å; R218-E226 IonicContact NE-OE2 2.96Å; R218-E226 PolarHBondContact NE-OE2 3.44Å; R218-E226 IonicContact NH2-OE2 2.69Å; R218-E226 PolarHBondContact NH2-OE2 3.5Å; R218-E227 IonicContact NH1-OE1 3.61Å; R218-E227 PolarHBondContact NH1-OE1 2.86Å
219D82.8Confident82.8Confident64 Ų6473.5 Ų73.534%0.34237%0.369SS..  trans-64.5129.6177.5-73.911.2000107.7Y217 E221 E222 A223Y217-D219 WeakPolarHBondContact CD1-OD1 3.28Å; Y217-D219 WeakPolarHBondContact CE1-OD1 3.3Å; D219-E221 VanDerWaalsContact C-N 3.27Å; D219-E221 PolarHBondContact O-N 3.18Å; D219-E222 HydrophobicContact CB-CB 4.22Å; D219-E222 HydrophobicContact CB-CG 4Å; D219-E222 PolarHBondContact O-N 3.13Å; D219-A223 PolarHBondContact O-N 3.47Å
220P80.6Confident82.2Confident77 Ų7774.4 Ų74.450%0.537%0.37SS..Hα-helixtrans-55.9-40.1-173-29.235.8000113.5E222 A223 E224P220-E222 VanDerWaalsContact C-N 3.34Å; P220-E222 PolarHBondContact O-N 3.49Å; P220-A223 WeakPolarHBondContact O-CB 3.39Å; P220-A223 PolarHBondContact O-N 3.07Å; P220-E224 WeakPolarHBondContact O-CG 3.22Å; P220-E224 PolarHBondContact O-N 2.71Å
221E80.7Confident81.3Confident132 Ų13280 Ų8062%0.61739%0.394SS*.Hα-helixtrans-67.1-32.1177.1-61.4-173.4-159.700113.7D219 K225D219-E221 VanDerWaalsContact C-N 3.27Å; D219-E221 PolarHBondContact O-N 3.18Å; E221-K225 WeakPolarHBondContact O-CB 3.34Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 WeakPolarHBondContact O-CE 3.42Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.36Å; E221-K225 IonicContact OE2-NZ 3.28Å; E221-K225 PolarHBondContact OE2-NZ 3.4Å; E221-K225 VanDerWaalsContact OE2-NZ 3.15Å
222E77.7Confident80Confident109 Ų10977.2 Ų77.251%0.50939%0.386SS..Hα-helixtrans-74-40.5175.5-64.8-170.315200109.8D219 P220 E224 K225 E226D219-E222 HydrophobicContact CB-CB 4.22Å; D219-E222 HydrophobicContact CB-CG 4Å; D219-E222 PolarHBondContact O-N 3.13Å; P220-E222 VanDerWaalsContact C-N 3.34Å; P220-E222 PolarHBondContact O-N 3.49Å; E222-E224 PolarHBondContact O-N 3.18Å; E222-K225 PolarHBondContact O-N 3.31Å; E222-E226 WeakPolarHBondContact O-CB 3.35Å; E222-E226 VanDerWaalsContact O-CG 3.31Å; E222-E226 WeakPolarHBondContact O-CG 3.34Å; E222-E226 PolarHBondContact O-N 3.35Å
223A76.7Confident78.5Confident14 Ų1481.9 Ų81.912%0.11641%0.405CS..Hα-helixtrans-57.2-48.5174.500000112.3R218 D219 P220 E226 E227R218-A223 HydrophobicContact CG-CB 3.88Å; D219-A223 PolarHBondContact O-N 3.47Å; P220-A223 WeakPolarHBondContact O-CB 3.39Å; P220-A223 PolarHBondContact O-N 3.07Å; A223-E226 PolarHBondContact O-N 3.08Å; A223-E227 WeakPolarHBondContact O-CB 3.23Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 3.48Å; A223-E227 PolarHBondContact O-N 2.91Å
224E78.9Confident76.9Confident132 Ų13283.8 Ų83.862%0.61741%0.411SS*.Hα-helixtrans-63.4-42.7178.5-72.9175-169.700112P220 E222 V228P220-E224 WeakPolarHBondContact O-CG 3.22Å; P220-E224 PolarHBondContact O-N 2.71Å; E222-E224 PolarHBondContact O-N 3.18Å; E224-V228 WeakPolarHBondContact O-CB 3.31Å; E224-V228 WeakPolarHBondContact O-CG2 3.43Å; E224-V228 PolarHBondContact O-N 3.07Å
225K79.3Confident75.2Confident130 Ų13083.6 Ų83.657%0.56542%0.417SS*.Hα-helixtrans-64.7-42.7177-71.1162.4-162.3155.70111.8E221 E222 S229E221-K225 WeakPolarHBondContact O-CB 3.34Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 WeakPolarHBondContact O-CE 3.42Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.36Å; E221-K225 IonicContact OE2-NZ 3.28Å; E221-K225 PolarHBondContact OE2-NZ 3.4Å; E221-K225 VanDerWaalsContact OE2-NZ 3.15Å; E222-K225 PolarHBondContact O-N 3.31Å; K225-S229 WeakPolarHBondContact O-CB 3.21Å; K225-S229 PolarHBondContact O-N 2.95Å
226E76.3Confident73.4Confident89 Ų8989.9 Ų89.942%0.41645%0.446SS..Hα-helixtrans-63.5-50.9176.3-74.7177.8158.200110.9R218 E222 A223 V228 S229 E230R218-E226 IonicContact CZ-OE2 2.73Å; R218-E226 VanDerWaalsContact CZ-OE2 3.25Å; R218-E226 IonicContact NE-OE2 2.96Å; R218-E226 PolarHBondContact NE-OE2 3.44Å; R218-E226 IonicContact NH2-OE2 2.69Å; R218-E226 PolarHBondContact NH2-OE2 3.5Å; E222-E226 WeakPolarHBondContact O-CB 3.35Å; E222-E226 VanDerWaalsContact O-CG 3.31Å; E222-E226 WeakPolarHBondContact O-CG 3.34Å; E222-E226 PolarHBondContact O-N 3.35Å; A223-E226 PolarHBondContact O-N 3.08Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.34Å; E226-S229 CarbonylContact O-C 3.47Å; E226-S229 WeakPolarHBondContact O-CA 3.37Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 2.69Å; E226-S229 PolarHBondContact O-OG 3.15Å; E226-E230 WeakPolarHBondContact O-CG 3.43Å; E226-E230 PolarHBondContact O-N 2.91Å
227E74.3Confident71.6Confident85 Ų8594.6 Ų94.640%0.39747%0.471SS..Hα-helixtrans-61.9-36178.9-74.1175.9-156.700113R218 A223 S229 E230 K231R218-E227 IonicContact NH1-OE1 3.61Å; R218-E227 PolarHBondContact NH1-OE1 2.86Å; A223-E227 WeakPolarHBondContact O-CB 3.23Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 3.48Å; A223-E227 PolarHBondContact O-N 2.91Å; E227-S229 VanDerWaalsContact C-N 3.29Å; E227-E230 PolarHBondContact O-N 2.68Å; E227-K231 WeakPolarHBondContact O-CD 3.43Å; E227-K231 VanDerWaalsContact O-CG 3.23Å; E227-K231 WeakPolarHBondContact O-CG 3.38Å; E227-K231 PolarHBondContact O-N 2.76Å; E227-K231 VanDerWaalsContact O-N 3.15Å
228V74.2Confident70Confident102 Ų10294 Ų9462%0.61848%0.478SS*.Hα-helixtrans-67.7-29.3172169.30000111.8E224 E226 P232E224-V228 WeakPolarHBondContact O-CB 3.31Å; E224-V228 WeakPolarHBondContact O-CG2 3.43Å; E224-V228 PolarHBondContact O-N 3.07Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.34Å; V228-P232 WeakPolarHBondContact O-CD 3.4Å
229S72.9Confident68.6Low52 Ų5295.9 Ų95.936%0.36449%0.494SS..Hα-helixtrans-85.5-20176.984.70000114.5K225 E226 E227 K233K225-S229 WeakPolarHBondContact O-CB 3.21Å; K225-S229 PolarHBondContact O-N 2.95Å; E226-S229 CarbonylContact O-C 3.47Å; E226-S229 WeakPolarHBondContact O-CA 3.37Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 2.69Å; E226-S229 PolarHBondContact O-OG 3.15Å; E227-S229 VanDerWaalsContact C-N 3.29Å; S229-K233 WeakPolarHBondContact O-CD 3.38Å; S229-K233 WeakPolarHBondContact O-CE 3.04Å
230E70.7Confident67.4Low97 Ų9797.6 Ų97.645%0.45350%0.503SS..Hα-helixtrans-87-40.5178.4-74178.7153.500111.6E226 E227 K233 E234E226-E230 WeakPolarHBondContact O-CG 3.43Å; E226-E230 PolarHBondContact O-N 2.91Å; E227-E230 PolarHBondContact O-N 2.68Å; E230-K233 WeakPolarHBondContact O-CA 3.5Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 2.88Å; E230-E234 PolarHBondContact O-N 2.86Å
231K65.9Low66.2Low125 Ų125103.4 Ų103.454%0.54352%0.515SS..Hα-helixtrans-46.5-47.9174.6-77.3163.5-171.4163.70115.1E227 E234 A235E227-K231 WeakPolarHBondContact O-CD 3.43Å; E227-K231 VanDerWaalsContact O-CG 3.23Å; E227-K231 WeakPolarHBondContact O-CG 3.38Å; E227-K231 PolarHBondContact O-N 2.76Å; E227-K231 VanDerWaalsContact O-N 3.15Å; K231-E234 PolarHBondContact O-N 3.02Å; K231-A235 WeakPolarHBondContact O-CB 3.47Å; K231-A235 PolarHBondContact O-N 3.49Å
232P58.9Low64.8Low68 Ų68106.4 Ų106.444%0.44252%0.521SS..Hα-helixtrans-68.4-31.1176.325.7-34.2000113.1V228 A235 E236V228-P232 WeakPolarHBondContact O-CD 3.4Å; P232-A235 PolarHBondContact O-N 2.9Å; P232-E236 WeakPolarHBondContact O-CG 3.45Å; P232-E236 PolarHBondContact O-N 3.13Å
233K57.7Low63.7Low113 Ų113102.8 Ų102.849%0.49151%0.513SS..Hα-helixtrans-72.6-38176.6-63.3171-172.5156.40111.7S229 E230 A235 E236 M237S229-K233 WeakPolarHBondContact O-CD 3.38Å; S229-K233 WeakPolarHBondContact O-CE 3.04Å; E230-K233 WeakPolarHBondContact O-CA 3.5Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 2.88Å; K233-A235 VanDerWaalsContact C-N 3.34Å; K233-E236 PolarHBondContact O-N 3.43Å; K233-M237 WeakPolarHBondContact O-CB 3.3Å; K233-M237 VanDerWaalsContact O-CG 3.3Å; K233-M237 WeakPolarHBondContact O-CG 3.4Å; K233-M237 PolarHBondContact O-N 2.9Å
234E55.8Low62.4Low139 Ų139108.4 Ų108.465%0.6554%0.537SS*.Hα-helixtrans-65.6-38.5172.3-69.9-167.9143.800111.3E230 K231 M237 A238E230-E234 PolarHBondContact O-N 2.86Å; K231-E234 PolarHBondContact O-N 3.02Å; E234-M237 PolarHBondContact O-N 2.86Å; E234-A238 VanDerWaalsContact O-CB 3.32Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.91Å
235A56.6Low61Low51 Ų51104.8 Ų104.842%0.42153%0.53SS..Hα-helixtrans-62.7-49.2172.600000112K231 P232 K233 M237 A238 D239K231-A235 WeakPolarHBondContact O-CB 3.47Å; K231-A235 PolarHBondContact O-N 3.49Å; P232-A235 PolarHBondContact O-N 2.9Å; K233-A235 VanDerWaalsContact C-N 3.34Å; A235-M237 VanDerWaalsContact C-N 3.31Å; A235-M237 PolarHBondContact O-N 3.49Å; A235-A238 PolarHBondContact O-N 3.36Å; A235-A238 VanDerWaalsContact O-N 3.13Å; A235-D239 PolarHBondContact O-N 2.89Å
236E54.6Low59.7Low131 Ų131102.8 Ų102.861%0.61252%0.524SS*.Hα-helixtrans-61-36.6175.2-75178.5169.200112.5P232 K233 N240P232-E236 WeakPolarHBondContact O-CG 3.45Å; P232-E236 PolarHBondContact O-N 3.13Å; K233-E236 PolarHBondContact O-N 3.43Å; E236-N240 WeakPolarHBondContact O-CB 3.32Å; E236-N240 VanDerWaalsContact O-CG 3.29Å; E236-N240 PolarHBondContact O-N 3.4Å; E236-N240 PolarHBondContact O-ND2 3.1Å
237M53.1Low58.3Low137 Ų137104.8 Ų104.868%0.67553%0.533SS*.Hα-helixtrans-71.6-32.2174.3-73.9-171.4-169.700113K233 E234 A235 R241K233-M237 WeakPolarHBondContact O-CB 3.3Å; K233-M237 VanDerWaalsContact O-CG 3.3Å; K233-M237 WeakPolarHBondContact O-CG 3.4Å; K233-M237 PolarHBondContact O-N 2.9Å; E234-M237 PolarHBondContact O-N 2.86Å; A235-M237 VanDerWaalsContact C-N 3.31Å; A235-M237 PolarHBondContact O-N 3.49Å; M237-R241 PolarHBondContact O-N 3.04Å; M237-R241 VanDerWaalsContact O-N 3.1Å
238A56.3Low57.2Low46 Ų46103.6 Ų103.638%0.3854%0.538SS..Hα-helixtrans-69.4-46.8174.400000111.2E234 A235 N240 R241 W242E234-A238 VanDerWaalsContact O-CB 3.32Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.91Å; A235-A238 PolarHBondContact O-N 3.36Å; A235-A238 VanDerWaalsContact O-N 3.13Å; A238-N240 VanDerWaalsContact C-N 3.34Å; A238-N240 PolarHBondContact O-N 3.03Å; A238-R241 WeakPolarHBondContact O-CB 3.32Å; A238-R241 PolarHBondContact O-N 3.45Å; A238-R241 VanDerWaalsContact O-N 3.11Å; A238-W242 PolarHBondContact O-N 3.42Å
239D57.1Low55.8Low120 Ų120105.3 Ų105.364%0.64254%0.543SS*.Hα-helixtrans-62-41.2176.3-77.9-10.3000111.4A235 R241 W242 G243A235-D239 PolarHBondContact O-N 2.89Å; D239-R241 VanDerWaalsContact C-N 3.33Å; D239-R241 PolarHBondContact O-N 2.83Å; D239-W242 PolarHBondContact O-N 3.24Å; D239-G243 PolarHBondContact O-N 2.8Å
240N57.1Low54.7Low101 Ų101110.1 Ų110.154%0.5456%0.558SS.*Hα-helixtrans-64.3-33.4174-78.9-51.6000113E236 A238 Q244E236-N240 WeakPolarHBondContact O-CB 3.32Å; E236-N240 VanDerWaalsContact O-CG 3.29Å; E236-N240 PolarHBondContact O-N 3.4Å; E236-N240 PolarHBondContact O-ND2 3.1Å; A238-N240 VanDerWaalsContact C-N 3.34Å; A238-N240 PolarHBondContact O-N 3.03Å; N240-Q244 WeakPolarHBondContact O-CB 3.48Å; N240-Q244 WeakPolarHBondContact O-CG 3.43Å; N240-Q244 PolarHBondContact O-N 3.11Å
241R55.9Low53.3Low199 Ų199112.8 Ų112.875%0.75157%0.572SS**Hα-helixtrans-67.4-40.9172.3-91.4-174.8178.5175.53112.5M237 A238 D239 A245M237-R241 PolarHBondContact O-N 3.04Å; M237-R241 VanDerWaalsContact O-N 3.1Å; A238-R241 WeakPolarHBondContact O-CB 3.32Å; A238-R241 PolarHBondContact O-N 3.45Å; A238-R241 VanDerWaalsContact O-N 3.11Å; D239-R241 VanDerWaalsContact C-N 3.33Å; D239-R241 PolarHBondContact O-N 2.83Å; R241-A245 PolarHBondContact O-N 3.01Å; R241-A245 VanDerWaalsContact O-N 3.15Å
242W50.8Low52.2Low194 Ų194113.8 Ų113.874%0.73558%0.584SS**Hα-helixtrans-68.1-39.9175.3-8580.1000111.8A238 D239 A245 I246A238-W242 PolarHBondContact O-N 3.42Å; D239-W242 PolarHBondContact O-N 3.24Å; W242-A245 PolarHBondContact O-N 3.15Å; W242-I246 WeakPolarHBondContact O-CD1 3.31Å; W242-I246 VanDerWaalsContact O-CG1 3.31Å; W242-I246 WeakPolarHBondContact O-CG1 3.48Å; W242-I246 PolarHBondContact O-N 3.11Å; W242-I246 VanDerWaalsContact O-N 3.11Å
243G53.7Low51.2Low33 Ų33119.1 Ų119.134%0.3461%0.605SS.*Hα-helixtrans-59.5-47.7174.400000113D239 A245 I246 E247D239-G243 PolarHBondContact O-N 2.8Å; G243-A245 VanDerWaalsContact C-N 3.35Å; G243-A245 PolarHBondContact O-N 3.42Å; G243-I246 PolarHBondContact O-N 3.38Å; G243-E247 PolarHBondContact O-N 3.37Å
244Q49.7Very low50.4Low133 Ų133118.6 Ų118.662%0.62162%0.615SS**Hα-helixtrans-66.6-33.1178.5-72.6174.39.300113.1N240 E247 A248N240-Q244 WeakPolarHBondContact O-CB 3.48Å; N240-Q244 WeakPolarHBondContact O-CG 3.43Å; N240-Q244 PolarHBondContact O-N 3.11Å; Q244-E247 PolarHBondContact O-N 3.19Å; Q244-A248 PolarHBondContact O-N 3.45Å
245A50.4Low49.4Very low56 Ų56120.4 Ų120.446%0.46362%0.624SS.*Hα-helixtrans-64.8-40172.500000112R241 W242 G243 E247 A248 D249R241-A245 PolarHBondContact O-N 3.01Å; R241-A245 VanDerWaalsContact O-N 3.15Å; W242-A245 PolarHBondContact O-N 3.15Å; G243-A245 VanDerWaalsContact C-N 3.35Å; G243-A245 PolarHBondContact O-N 3.42Å; A245-E247 VanDerWaalsContact C-N 3.34Å; A245-E247 PolarHBondContact O-N 3.03Å; A245-A248 PolarHBondContact O-N 3.06Å; A245-D249 PolarHBondContact O-N 3.15Å; A245-D249 VanDerWaalsContact O-N 3.15Å
246I50.8Low48.5Very low87 Ų87130.1 Ų130.145%0.44665%0.65SS.*Hα-helixtrans-70-28.6177.7-67.2164.3000112.3W242 G243 K250W242-I246 WeakPolarHBondContact O-CD1 3.31Å; W242-I246 VanDerWaalsContact O-CG1 3.31Å; W242-I246 WeakPolarHBondContact O-CG1 3.48Å; W242-I246 PolarHBondContact O-N 3.11Å; W242-I246 VanDerWaalsContact O-N 3.11Å; G243-I246 PolarHBondContact O-N 3.38Å; I246-K250 WeakPolarHBondContact O-CD 3.33Å; I246-K250 WeakPolarHBondContact O-CG 3.44Å
247E48.1Very low47.4Very low132 Ų132129.6 Ų129.662%0.61766%0.655SS**Hα-helixtrans-77.8-35.3173.1-73.9-174.4138.700112.6G243 Q244 A245 K250 M251G243-E247 PolarHBondContact O-N 3.37Å; Q244-E247 PolarHBondContact O-N 3.19Å; A245-E247 VanDerWaalsContact C-N 3.34Å; A245-E247 PolarHBondContact O-N 3.03Å; E247-K250 PolarHBondContact O-N 3.49Å; E247-M251 PolarHBondContact O-N 3.05Å
248A50.4Low46.9Very low59 Ų59130 Ų13049%0.48867%0.666SS.*Hα-helixtrans-61.7-48.7173.400000112.1Q244 A245 K250 M251Q244-A248 PolarHBondContact O-N 3.45Å; A245-A248 PolarHBondContact O-N 3.06Å; A248-K250 PolarHBondContact O-N 3.35Å; A248-K250 VanDerWaalsContact O-N 3.12Å; A248-M251 PolarHBondContact O-N 3.26Å
249D45.2Very low46.3Very low138 Ų138136.6 Ų136.674%0.73869%0.686SS**Hα-helixtrans-62.4-19.1177.4-94.9-2.9000113.6A245A245-D249 PolarHBondContact O-N 3.15Å; A245-D249 VanDerWaalsContact O-N 3.15Å
250K49.8Very low45.3Very low153 Ų153136.9 Ų136.967%0.66569%0.694SS**Hα-helixtrans-87.7-17.5175.8-75.5173.7-175.5170.40113.9I246 E247 A248I246-K250 WeakPolarHBondContact O-CD 3.33Å; I246-K250 WeakPolarHBondContact O-CG 3.44Å; E247-K250 PolarHBondContact O-N 3.49Å; A248-K250 PolarHBondContact O-N 3.35Å; A248-K250 VanDerWaalsContact O-N 3.12Å
251M41Very low44.2Very low154 Ų154141.7 Ų141.776%0.75972%0.716SS**Hα-helixtrans-86.4-24.1179.7-68.8-175.691.900113.2E247 A248E247-M251 PolarHBondContact O-N 3.05Å; A248-M251 PolarHBondContact O-N 3.26Å
252D43.1Very low43.4Very low146 Ų146135.8 Ų135.878%0.78172%0.717SS**SBendtrans-88.6-1.9179.4-92.5-13.7000115.1S254D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å
253M37.8Very low42.5Very low179 Ų179131.7 Ų131.788%0.88272%0.717SS**THydrogen-bonded Turntrans-82.419.2-178.4-104.5-149.7-174.700115.6
254S41Very low41.8Very low102 Ų102139.1 Ų139.171%0.71374%0.744SS**THydrogen-bonded Turntrans-117.1-2.4-171.562.30000117D252D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å
255E34.9Very low41.4Very low178 Ų178140.9 Ų140.983%0.83276%0.756SS**  trans-110.3-1.9-170.5-139.2173.4-156.400116.5T257E255-T257 PolarHBondContact O-N 3.18Å
256W37.2Very low41.2Very low254 Ų254143.3 Ų143.396%0.96277%0.767SS**  trans-91.474.2176.8-84.765.8000113
257T31.3Very low40.5Very low120 Ų120144.6 Ų144.674%0.73678%0.779SS**  trans-131.188.9170-57.90000111.8E255E255-T257 PolarHBondContact O-N 3.18Å
258V43.1Very low40.4Very low147 Ų147144.9 Ų144.989%0.89179%0.785SS**  trans-102.8125.7169.6-178.70000109.8
259K44Very low39.9Very low184 Ų184151.9 Ų151.980%0.881%0.805SS**  trans-76.8153.9-173.8-74.5175.2178171.80112.9
260P36.8Very low39.7Very low125 Ų125147.8 Ų147.881%0.81280%0.796SS**  trans-84.8177-177.836.5-38.1000113.7
261M33Very low39.2Very low203 Ų203147 Ų147100%180%0.804SS**  trans104.9120.8157.8-160.8171.4179.700116.7
262G38.3Very low39Very low75 Ų75144 Ų14477%0.77380%0.803SS**  trans153.373172.100000115.5
263S33.2Very low38.6Very low107 Ų107148.7 Ų148.775%0.74881%0.81SS**  trans-39.5135.4177.654.10000118
264Q39.3Very low38.4Very low190 Ų190143.9 Ų143.989%0.88881%0.807SS**  -173.7123.8109.8-96.8165.519.500112.5
265L41Very low38.3Very low169 Ų169143.3 Ų143.389%0.88581%0.808SS**  trans-99.2-179.7169.2-86.4156.8000108.9
266P44.9Very low38.1Very low107 Ų107141.2 Ų141.270%0.69581%0.807SS**  cis-115-156.9-0.135.4-14.9000111.1
267T37Very low38.1Very low114 Ų114140.4 Ų140.470%0.69980%0.804SS**  cis-152.5-177.38.4-14.70000106.6
268D45.1Very low38.2Very low139 Ų139138.7 Ų138.774%0.74380%0.797SS**  cis-156.4167.33.3-146.6-27000109.8
269F40.5Very low37.7Very low205 Ų205139.7 Ų139.790%0.89979%0.792SS**  trans64.5129.2167.1-125-97.9000118.9
270G42.3Very low37.1Very low53 Ų53139.1 Ų139.155%0.54679%0.792SS.*  cis172.282.9-0.800000114.6
271T37.4Very low37.2Very low136 Ų136140.8 Ų140.883%0.83479%0.794SS**  trans62.297136.8-43.30000121.5
272A37.1Very low37.2Very low91 Ų91138.6 Ų138.675%0.75278%0.782SS**  66.9166.9122.600000120
273R36Very low37.2Very low245 Ų245146.6 Ų146.693%0.92579%0.789SS**  cis-155.9140.312.7-163.1168.8170.8176.2-5.3109.4
274G34Very low37.4Very low78 Ų78144.8 Ų144.880%0.80479%0.787SS**  trans-79.2-173.2-163.300000119.1
275A38.3Very low37.2Very low90 Ų90141.5 Ų141.574%0.74479%0.785SS**  trans-163.4136.9150.700000110.4
276T30.8Very low37.1Very low133 Ų133139 Ų13982%0.81678%0.781SS**  trans-82.3137.2175.2-53.30000110.6
277W37.8Very low36.8Very low237 Ų237137.8 Ų137.890%0.89879%0.788SS**  trans-140.7127.4160.7-77.894000112.2
278S32.2Very low36.8Very low85 Ų85139.2 Ų139.259%0.59479%0.792SS**  trans-96.1179.5163.747.50000110
279E32.6Very low36.3Very low168 Ų168139.2 Ų139.279%0.78580%0.796SS**  trans75.6103168.2-63.7174.5131.300117
280Q32Very low36.2Very low171 Ų171137.5 Ų137.580%0.79979%0.791SS**  37.3111.7110.2-173.8174.1-4.900117.7
281D38.2Very low36Very low160 Ų160140.3 Ų140.386%0.85679%0.794SS**  trans-147.9147154-115.6-32.6000111.9
282E33.2Very low36.1Very low158 Ų158144.1 Ų144.174%0.73879%0.793SS**  trans-94.2-160.6-176.1-61.9179.7113.300112.3
283W38.7Very low35.9Very low243 Ų243146.6 Ų146.692%0.9280%0.799SS**  trans76128.8170.8-51.977.7000116.3
284G37.7Very low36Very low68 Ų68138.1 Ų138.170%0.70179%0.788SS**  cis164.9150.1-7.700000112.7
285S33.6Very low36.3Very low121 Ų121139.7 Ų139.785%0.84679%0.793SS**  trans58.8114159.7-1750000120.7
286S39.4Very low36.4Very low116 Ų116138.9 Ų138.981%0.81179%0.793SS**  177.2127.2109.945.80000114.7
287G38.4Very low36.8Very low82 Ų82140.5 Ų140.585%0.84580%0.797SS**  trans68.9140.3158.400000118.1
288N37.1Very low37.1Very low145 Ų145133.7 Ų133.778%0.77579%0.791SS**  cis-154.2139.5-0.3-176.920.1000108.4
289V34.8Very low37.6Very low138 Ų138137.1 Ų137.184%0.83680%0.803SS**  trans-131.3118179.7175.30000109.7
290Q39.5Very low38.3Very low169 Ų169134.5 Ų134.579%0.7980%0.803SS**  trans-150.2108.6164.7-98.2168.5-1600107.5
291N37Very low38.8Very low112 Ų112129.5 Ų129.560%0.59980%0.798SS**  88.2133.299.5-144.221.1000110
292W40.2Very low39.7Very low217 Ų217134.2 Ų134.282%0.82280%0.804SS**  cis-151.1141.841.4-79.268.6000113.9
293T33.5Very low40.1Very low143 Ų143139 Ų13988%0.87783%0.827SS**  trans-131.6131148.3460000107.8
294G37Very low40.2Very low66 Ų66133.9 Ų133.968%0.6882%0.822SS**  trans170.4116.6-177.800000114.8
295A40.6Very low40.3Very low111 Ų111137.3 Ų137.392%0.91783%0.828SS**  trans-33.2161.1171.200000119.1
296G39.7Very low40.7Very low73 Ų73138.2 Ų138.275%0.75383%0.827SS**  trans154.8111.2157.900000114
297D39.6Very low40.8Very low167 Ų167139.5 Ų139.589%0.89383%0.828SS**  trans-57.5174.1-177.2-58.5-75.2000117.9
298A44.8Very low40.9Very low94 Ų94143.1 Ų143.178%0.77783%0.827SS**  trans9496.1148.900000120.4
299D42.7Very low41.2Very low157 Ų157143 Ų14384%0.8483%0.83SS**  87.2156.6114.2-147.38.5000120.7
300S47Very low41.6Very low113 Ų113143.4 Ų143.479%0.7983%0.83SS**  trans65.3137.5-170.671.80000115.9
301G42.2Very low41.8Very low67 Ų67141.4 Ų141.469%0.69183%0.833SS**  cis126.193.26.800000109.4E303G301-E303 PolarHBondContact O-N 3.23Å
302W56.9Low42.2Very low258 Ų258143.8 Ų143.898%0.97785%0.853SS**  trans-92.296.6176.6-78.589.7000110.7
303E42Very low42.4Very low260 Ų260137.2 Ų137.2100%1.21586%0.855SS**  trans-105.80135.2-76.8-168.314100108.4G301G301-E303 PolarHBondContact O-N 3.23Å

Retrieved 303 of 303 residues in 460.8 ms (Link to these results)

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