A0A077Z059_TRITR Loading...

proteasome endopeptidase complex

AlphaFold DB , UniProt , Accession A0A077Z059, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 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
1M97.3Very high97.4Very high19 Ų1923.1 Ų23.19%0.09414%0.137CC..  0135.90-51.9-179.7-58.100108.1G13 T14 L42 R43 S44 I97 V125 G126M1-G13 CarbonylContact C-O 3.55Å; M1-G13 WeakPolarHBondContact CA-O 3.24Å; M1-T14 HydrophobicContact CB-CG2 4.19Å; M1-T14 HydrophobicContact CG-CG2 4.05Å; M1-L42 HydrophobicContact CB-CB 4.09Å; M1-L42 HydrophobicContact CB-CD1 4.01Å; M1-L42 HydrophobicContact CE-CB 4.38Å; M1-L42 HydrophobicContact CG-CB 4.19Å; M1-L42 HydrophobicContact SD-CB 3.49Å; M1-L42 WeakPolarHBondContact SD-CB 3.15Å; M1-R43 PolarHBondContact SD-N 2.71Å; M1-S44 VanDerWaalsContact CE-CB 3.46Å; M1-S44 WeakPolarHBondContact CE-OG 3.49Å; M1-I97 HydrophobicContact CB-CD1 4.04Å; M1-I97 HydrophobicContact CE-CD1 4.03Å; M1-I97 HydrophobicContact CE-CG1 4.25Å; M1-V125 CarbonylContact O-C 3.46Å; M1-V125 WeakPolarHBondContact O-CA 3.48Å; M1-V125 VanDerWaalsContact O-CG2 3.3Å; M1-V125 WeakPolarHBondContact O-CG2 3.49Å; M1-G126 PolarHBondContact N-O 2.83Å; M1-G126 PolarHBondContact O-N 2.91Å
2I98.3Very high97.5Very high3 Ų321.2 Ų21.22%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-134.8138.8-178.8-66.1150000107.8V12 G13 L42 V125 L137 V154 A157 V158I2-V12 CarbonylContact O-C 3.56Å; I2-V12 VanDerWaalsContact O-CA 3.31Å; I2-V12 WeakPolarHBondContact O-CA 3.39Å; I2-G13 PolarHBondContact N-O 3.05Å; I2-G13 PolarHBondContact O-N 2.87Å; I2-L42 WeakPolarHBondContact O-CD1 3.06Å; I2-V125 HydrophobicContact CG1-CB 4.39Å; I2-V125 HydrophobicContact CG1-CG2 3.74Å; I2-L137 HydrophobicContact CG2-CD2 4.25Å; I2-V154 HydrophobicContact CB-CG1 4.3Å; I2-V154 HydrophobicContact CG2-CG1 4.12Å; I2-V154 HydrophobicContact CG2-CG2 4.16Å; I2-A157 HydrophobicContact CD1-CB 3.4Å; I2-A157 HydrophobicContact CG1-CB 4.49Å; I2-V158 HydrophobicContact CD1-CB 4.4Å; I2-V158 HydrophobicContact CD1-CG2 3.66Å
3A98.5Very high97.5Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-131.6138.4169.500000109.2I11 V12 L42 I97 I109 W123 T124A3-I11 CarbonylContact C-O 3.52Å; A3-I11 WeakPolarHBondContact CA-O 3.39Å; A3-V12 HydrophobicContact CB-CG1 3.69Å; A3-L42 HydrophobicContact CB-CD1 4.27Å; A3-I97 HydrophobicContact CB-CG2 3.79Å; A3-I109 HydrophobicContact CB-CD1 3.86Å; A3-I109 HydrophobicContact CB-CG1 4.32Å; A3-I109 HydrophobicContact CB-CG2 3.87Å; A3-W123 CarbonylContact O-C 3.58Å; A3-W123 WeakPolarHBondContact O-CA 3.39Å; A3-W123 WeakPolarHBondContact O-CB 3.31Å; A3-T124 HydrophobicContact CB-CG2 4.33Å; A3-T124 PolarHBondContact N-O 2.88Å; A3-T124 PolarHBondContact O-N 3.29Å
4C98.3Very high97.6Very high0 Ų018.1 Ų18.10%011%0.108CC..EExtended strand (participates in β ladder)trans-143.8132.7-178.4-1720000110.1V10 I11 W123 Y141 M145 C150 F153 V154C4-V10 WeakPolarHBondContact O-CA 3.2Å; C4-I11 PolarHBondContact N-O 3.2Å; C4-I11 PolarHBondContact O-N 3.4Å; C4-W123 HydrophobicContact CB-CB 4.18Å; C4-Y141 VanDerWaalsContact SG-CE2 3.55Å; C4-M145 VanDerWaalsContact SG-CE 3.51Å; C4-C150 VanDerWaalsContact SG-SG 3.63Å; C4-F153 HydrophobicContact CB-CD1 4.46Å; C4-F153 HydrophobicContact CB-CE1 4.32Å; C4-V154 HydrophobicContact CB-CG2 3.88Å
5Q98Very high97.6Very high41 Ų4117.5 Ų17.519%0.19210%0.103CC..EExtended strand (participates in β ladder)trans-71.2147.6169.6-70.7178.3-18.300109.8G9 V10 A107 I109 S122Q5-G9 WeakPolarHBondContact CA-O 3.37Å; Q5-V10 HydrophobicContact CG-CG2 4.32Å; Q5-A107 HydrophobicContact CG-CB 4.44Å; Q5-A107 PolarHBondContact NE2-O 2.94Å; Q5-I109 HydrophobicContact CG-CD1 3.78Å; Q5-I109 HydrophobicContact CG-CG1 4.12Å; Q5-S122 WeakPolarHBondContact CB-O 3.34Å; Q5-S122 WeakPolarHBondContact CG-O 3.49Å; Q5-S122 PolarHBondContact N-O 2.78Å
6Y97.3Very high97.7Very high18 Ų1816.4 Ų16.47%0.07110%0.097CC..EExtended strand (participates in β ladder)trans-134.5170.7168.675.9-86.6000108.2G8 G9 V10 I11 M145 Q147 C150 V176 N178Y6-G8 PolarHBondContact O-N 2.93Å; Y6-G9 VanDerWaalsContact CD1-O 3.3Å; Y6-G9 WeakPolarHBondContact CD1-O 3.34Å; Y6-G9 PolarHBondContact N-O 3.33Å; Y6-G9 PolarHBondContact O-N 2.86Å; Y6-G9 VanDerWaalsContact O-O 3.13Å; Y6-V10 VanDerWaalsContact CE1-N 3.35Å; Y6-I11 HydrophobicContact CD1-CD1 3.75Å; Y6-I11 HydrophobicContact CD1-CG1 3.6Å; Y6-I11 HydrophobicContact CE1-CD1 3.58Å; Y6-I11 HydrophobicContact CE1-CG1 3.99Å; Y6-I11 HydrophobicContact CG-CG1 4.36Å; Y6-M145 WeakPolarHBondContact CB-O 3.34Å; Y6-Q147 HydrophobicContact CD2-CB 3.88Å; Y6-Q147 HydrophobicContact CD2-CG 4.43Å; Y6-Q147 HydrophobicContact CE2-CB 3.67Å; Y6-Q147 HydrophobicContact CE2-CG 3.94Å; Y6-C150 HydrophobicContact CG-CB 4.46Å; Y6-V176 HydrophobicContact CE1-CG1 4.15Å; Y6-V176 WeakPolarHBondContact OH-CG1 3.28Å; Y6-N178 PolarHBondContact OH-ND2 3.17Å; Y6-N178 VanDerWaalsContact OH-ND2 3.16Å
7D93.5Very high97.7Very high130 Ų13019.6 Ų19.670%0.69511%0.107SC*.THydrogen-bonded Turntrans-64.8102176.3-171.619.3000111.1M145D7-M145 PolarHBondContact N-O 3.29Å
8G94.8Very high97.6Very high43 Ų4319.9 Ų19.944%0.44311%0.11SC..THydrogen-bonded Turntrans109.5-5.9-179.200000116.1Y6 N178Y6-G8 PolarHBondContact O-N 2.93Å; G8-N178 WeakPolarHBondContact O-CB 3.17Å
9G98Very high97.5Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans179.7-159.3-178.800000116.6Q5 Y6 A107 I177Q5-G9 WeakPolarHBondContact CA-O 3.37Å; Y6-G9 VanDerWaalsContact CD1-O 3.3Å; Y6-G9 WeakPolarHBondContact CD1-O 3.34Å; Y6-G9 PolarHBondContact N-O 3.33Å; Y6-G9 PolarHBondContact O-N 2.86Å; Y6-G9 VanDerWaalsContact O-O 3.13Å; G9-A107 WeakPolarHBondContact O-CB 3.46Å; G9-I177 CarbonylContact C-O 3.55Å; G9-I177 VanDerWaalsContact CA-O 3.24Å; G9-I177 WeakPolarHBondContact CA-O 3.4Å
10V98.5Very high97.3Very high0 Ų024 Ų240%014%0.141CC..EExtended strand (participates in β ladder)trans-122.6135.1174.8-177.80000109.8C4 Q5 Y6 V12 C99 A107 I109 I177C4-V10 WeakPolarHBondContact O-CA 3.2Å; Q5-V10 HydrophobicContact CG-CG2 4.32Å; Y6-V10 VanDerWaalsContact CE1-N 3.35Å; V10-V12 HydrophobicContact CG1-CG1 3.95Å; V10-C99 HydrophobicContact CG1-CB 4.02Å; V10-A107 HydrophobicContact CG2-CB 3.92Å; V10-I109 HydrophobicContact CG1-CD1 3.81Å; V10-I109 HydrophobicContact CG1-CG1 3.79Å; V10-I109 HydrophobicContact CG2-CD1 4.44Å; V10-I109 HydrophobicContact CG2-CG1 3.94Å; V10-I177 HydrophobicContact CB-CB 4.46Å; V10-I177 PolarHBondContact N-O 3.18Å; V10-I177 PolarHBondContact O-N 2.93Å
11I98.6Very high97Very high0 Ų026.1 Ų26.10%017%0.168CC..EExtended strand (participates in β ladder)trans-102.4132.5163.9-54.5-57000108.4A3 C4 Y6 Q147 C150 I151 V154 I174 A175 V176A3-I11 CarbonylContact C-O 3.52Å; A3-I11 WeakPolarHBondContact CA-O 3.39Å; C4-I11 PolarHBondContact N-O 3.2Å; C4-I11 PolarHBondContact O-N 3.4Å; Y6-I11 HydrophobicContact CD1-CD1 3.75Å; Y6-I11 HydrophobicContact CD1-CG1 3.6Å; Y6-I11 HydrophobicContact CE1-CD1 3.58Å; Y6-I11 HydrophobicContact CE1-CG1 3.99Å; Y6-I11 HydrophobicContact CG-CG1 4.36Å; I11-Q147 HydrophobicContact CD1-CG 4.2Å; I11-C150 HydrophobicContact CG1-CB 3.83Å; I11-C150 VanDerWaalsContact CG1-SG 3.55Å; I11-I151 HydrophobicContact CD1-CD1 4.34Å; I11-I151 HydrophobicContact CD1-CG1 3.76Å; I11-I151 HydrophobicContact CG1-CG1 4.15Å; I11-I151 HydrophobicContact CG2-CG1 4.16Å; I11-V154 HydrophobicContact CB-CG2 4.21Å; I11-V154 HydrophobicContact CG2-CB 4.02Å; I11-V154 HydrophobicContact CG2-CG1 4.29Å; I11-V154 HydrophobicContact CG2-CG2 3.88Å; I11-I174 HydrophobicContact CG2-CG2 3.8Å; I11-A175 WeakPolarHBondContact CA-O 3.41Å; I11-V176 HydrophobicContact CD1-CB 3.98Å; I11-V176 HydrophobicContact CD1-CG1 3.73Å; I11-V176 HydrophobicContact CD1-CG2 3.71Å
12V98.6Very high96.9Very high0 Ų030.5 Ų30.50%021%0.208CC..EExtended strand (participates in β ladder)trans-121.4149.4171.5-65.90000111.7I2 A3 V10 I32 L42 C99 I174 A175 I177I2-V12 CarbonylContact O-C 3.56Å; I2-V12 VanDerWaalsContact O-CA 3.31Å; I2-V12 WeakPolarHBondContact O-CA 3.39Å; A3-V12 HydrophobicContact CB-CG1 3.69Å; V10-V12 HydrophobicContact CG1-CG1 3.95Å; V12-I32 HydrophobicContact CG2-CD1 4.11Å; V12-I32 HydrophobicContact CG2-CG2 4.25Å; V12-L42 HydrophobicContact CB-CD1 3.91Å; V12-L42 HydrophobicContact CB-CD2 3.81Å; V12-L42 HydrophobicContact CB-CG 4.35Å; V12-L42 HydrophobicContact CG1-CD1 3.94Å; V12-L42 HydrophobicContact CG1-CD2 4.2Å; V12-L42 HydrophobicContact CG1-CG 4.32Å; V12-L42 HydrophobicContact CG2-CD2 3.96Å; V12-C99 HydrophobicContact CG1-CB 4.39Å; V12-C99 WeakPolarHBondContact CG1-SG 3.14Å; V12-I174 CarbonylContact O-C 3.53Å; V12-I174 VanDerWaalsContact O-CA 3.23Å; V12-I174 WeakPolarHBondContact O-CA 3.29Å; V12-A175 HydrophobicContact CG2-CB 3.63Å; V12-A175 WeakPolarHBondContact CG2-O 3.31Å; V12-A175 PolarHBondContact N-O 3.09Å; V12-A175 PolarHBondContact O-N 3.26Å; V12-I177 HydrophobicContact CG2-CD1 4.36Å
13G98.4Very high96.8Very high0 Ų036 Ų360%024%0.236CC..EExtended strand (participates in β ladder)trans-143.8137.6-179.900000114.1M1 I2 R173M1-G13 CarbonylContact C-O 3.55Å; M1-G13 WeakPolarHBondContact CA-O 3.24Å; I2-G13 PolarHBondContact N-O 3.05Å; I2-G13 PolarHBondContact O-N 2.87Å; G13-R173 CarbonylContact C-O 3.54Å; G13-R173 VanDerWaalsContact CA-O 3.25Å; G13-R173 WeakPolarHBondContact CA-O 3.42Å
14T98.4Very high96.7Very high0 Ų038.2 Ų38.20%025%0.25CC..EExtended strand (participates in β ladder)trans-139153.3174.374.10000111M1 K31 I32 L42 R173M1-T14 HydrophobicContact CB-CG2 4.19Å; M1-T14 HydrophobicContact CG-CG2 4.05Å; T14-K31 HydrophobicContact CG2-CB 4Å; T14-I32 HydrophobicContact CG2-CD1 4.31Å; T14-I32 HydrophobicContact CG2-CG1 3.77Å; T14-L42 HydrophobicContact CG2-CD1 4.49Å; T14-L42 HydrophobicContact CG2-CD2 4Å; T14-R173 PolarHBondContact N-O 2.62Å; T14-R173 PolarHBondContact O-N 3.28Å
15D98.1Very high96.6Very high8 Ų842.1 Ų42.14%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-72.6179158.678.1-56.3000109.8R17 K31 V158 I162 S168 G169 C171D15-R17 WeakPolarHBondContact OD2-CB 3.45Å; D15-R17 PolarHBondContact OD2-N 3.14Å; D15-R17 VanDerWaalsContact OD2-N 3.08Å; D15-K31 IonicContact OD1-NZ 2.72Å; D15-K31 PolarHBondContact OD1-NZ 2.73Å; D15-K31 IonicContact OD2-NZ 3.07Å; D15-K31 PolarHBondContact OD2-NZ 3.5Å; D15-V158 HydrophobicContact CB-CG1 4.32Å; D15-I162 HydrophobicContact CB-CD1 3.86Å; D15-I162 HydrophobicContact CB-CG1 3.77Å; D15-S168 WeakPolarHBondContact OD2-CA 3.44Å; D15-G169 PolarHBondContact OD2-N 2.72Å; D15-G169 VanDerWaalsContact OD2-N 3.09Å; D15-C171 CarbonylContact C-O 3.53Å; D15-C171 VanDerWaalsContact CA-O 3.32Å; D15-C171 WeakPolarHBondContact CA-O 3.5Å
16T98Very high96.6Very high0 Ų042.3 Ų42.30%028%0.279CS..  trans-122.48-178.463.50000114R27 T28 S29 G169 C171 R173T16-R27 CarbonylContact C-O 3.11Å; T16-R27 WeakPolarHBondContact CB-O 3.36Å; T16-R27 CarbonylContact O-C 3.48Å; T16-R27 PolarHBondContact OG1-O 3.3Å; T16-T28 CarbonylContact O-C 3.56Å; T16-T28 PolarHBondContact O-N 3.5Å; T16-S29 WeakPolarHBondContact CA-O 3.24Å; T16-S29 VanDerWaalsContact CB-O 3.29Å; T16-S29 WeakPolarHBondContact CB-O 3.49Å; T16-S29 WeakPolarHBondContact CG2-O 3.34Å; T16-S29 VanDerWaalsContact O-CB 3.28Å; T16-S29 WeakPolarHBondContact O-CB 3.47Å; T16-S29 PolarHBondContact O-N 2.89Å; T16-G169 PolarHBondContact N-O 2.71Å; T16-G169 VanDerWaalsContact N-O 3.09Å; T16-C171 HydrophobicContact CG2-CB 3.91Å; T16-C171 PolarHBondContact N-O 3.43Å; T16-C171 PolarHBondContact OG1-N 3.07Å; T16-R173 HydrophobicContact CG2-CG 3.66Å
17R97.5Very high96.5Very high72 Ų7250.4 Ų50.427%0.27231%0.309SS..  trans-81.9133.6178.1179.8179.4-70.1-174.13.4110.9D15 V24 C26 K31 A166 S167 S168 G169D15-R17 WeakPolarHBondContact OD2-CB 3.45Å; D15-R17 PolarHBondContact OD2-N 3.14Å; D15-R17 VanDerWaalsContact OD2-N 3.08Å; R17-V24 HydrophobicContact CG-CG1 3.96Å; R17-V24 HydrophobicContact CG-CG2 4.3Å; R17-C26 CarbonylContact C-O 3.53Å; R17-C26 WeakPolarHBondContact CA-O 3.42Å; R17-K31 WeakPolarHBondContact O-CE 3.35Å; R17-K31 PolarHBondContact O-NZ 2.88Å; R17-A166 PolarHBondContact NH1-O 3.25Å; R17-S167 VanDerWaalsContact CD-O 3.31Å; R17-S167 WeakPolarHBondContact CD-O 3.47Å; R17-S168 VanDerWaalsContact CZ-O 3.24Å; R17-S168 PolarHBondContact NE-O 2.59Å; R17-S168 PolarHBondContact NH1-O 3.27Å; R17-G169 WeakPolarHBondContact CB-O 3.41Å; R17-G169 PolarHBondContact N-O 3.17Å
18T96.8Very high96.6Very high24 Ų2448.6 Ų48.615%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-115.4131.4160.2-60.70000107.9V25 C26 S29T18-V25 HydrophobicContact CG2-CG2 3.71Å; T18-V25 VanDerWaalsContact O-CG2 3.32Å; T18-V25 WeakPolarHBondContact O-CG2 3.23Å; T18-V25 PolarHBondContact O-N 3.15Å; T18-C26 PolarHBondContact N-O 3.38Å; T18-C26 PolarHBondContact O-N 2.95Å; T18-S29 VanDerWaalsContact OG1-CB 3.31Å; T18-S29 WeakPolarHBondContact OG1-CB 3.44Å; T18-S29 PolarHBondContact OG1-OG 2.99Å
19S95.1Very high96.7Very high41 Ų4147.6 Ų47.629%0.28729%0.289SS..EExtended strand (participates in β ladder)trans-115.5150.5177.855.90000111.6L23S19-L23 CarbonylContact C-O 3.6Å; S19-L23 WeakPolarHBondContact CA-O 3.48Å
20S94Very high96.6Very high81 Ų8150 Ų5057%0.56630%0.302SS*.EExtended strand (participates in β ladder)trans-122.8104.7164.3-176.20000107.6A22 L23S20-A22 PolarHBondContact O-N 2.85Å; S20-L23 PolarHBondContact N-O 2.85Å; S20-L23 WeakPolarHBondContact O-CB 3.31Å; S20-L23 PolarHBondContact O-N 3.25Å
21G91.7Very high96.6Very high68 Ų6851.5 Ų51.570%0.70131%0.309SS*.THydrogen-bonded Turntrans55.5-128.5-164.700000111.1L23G21-L23 VanDerWaalsContact C-N 3.33Å
22A94Very high96.6Very high112 Ų11251.8 Ų51.893%0.92631%0.31SS*.THydrogen-bonded Turntrans-79.3-12.4176.800000114S20S20-A22 PolarHBondContact O-N 2.85Å
23L96.2Very high96.6Very high117 Ų11753.3 Ų53.361%0.61332%0.32SS*.EExtended strand (participates in β ladder)trans-82.3130.3-177.6179.765000110.9S19 S20 G21 V25S19-L23 CarbonylContact C-O 3.6Å; S19-L23 WeakPolarHBondContact CA-O 3.48Å; S20-L23 PolarHBondContact N-O 2.85Å; S20-L23 WeakPolarHBondContact O-CB 3.31Å; S20-L23 PolarHBondContact O-N 3.25Å; G21-L23 VanDerWaalsContact C-N 3.33Å; L23-V25 HydrophobicContact CD2-CG1 3.96Å; L23-V25 HydrophobicContact CG-CG1 4.11Å; L23-V25 PolarHBondContact O-N 3.47Å
24V97.3Very high96.5Very high48 Ų4857.1 Ų57.129%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-83.4101.11681790000109.2R17 R27R17-V24 HydrophobicContact CG-CG1 3.96Å; R17-V24 HydrophobicContact CG-CG2 4.3Å; V24-R27 HydrophobicContact CG1-CG 3.7Å
25V96.8Very high96.5Very high81 Ų8157.3 Ų57.349%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-80.5-27.9-178.4-63.60000112.9T18 L23T18-V25 HydrophobicContact CG2-CG2 3.71Å; T18-V25 VanDerWaalsContact O-CG2 3.32Å; T18-V25 WeakPolarHBondContact O-CG2 3.23Å; T18-V25 PolarHBondContact O-N 3.15Å; L23-V25 HydrophobicContact CD2-CG1 3.96Å; L23-V25 HydrophobicContact CG-CG1 4.11Å; L23-V25 PolarHBondContact O-N 3.47Å
26C96.4Very high96.4Very high46 Ų4657.4 Ų57.431%0.31134%0.34SS..EExtended strand (participates in β ladder)trans-147.4133.1174.8-175.30000110.4R17 T18 S29R17-C26 CarbonylContact C-O 3.53Å; R17-C26 WeakPolarHBondContact CA-O 3.42Å; T18-C26 PolarHBondContact N-O 3.38Å; T18-C26 PolarHBondContact O-N 2.95Å; C26-S29 PolarHBondContact SG-N 3.42Å
27R96.2Very high96.3Very high187 Ų18763.9 Ų63.971%0.70636%0.364SS*.SBendtrans-95.4-14179.4-67.4-178.3178.4-175.5-0113.4T16 V24T16-R27 CarbonylContact C-O 3.11Å; T16-R27 WeakPolarHBondContact CB-O 3.36Å; T16-R27 CarbonylContact O-C 3.48Å; T16-R27 PolarHBondContact OG1-O 3.3Å; V24-R27 HydrophobicContact CG1-CG 3.7Å
28T96Very high96.4Very high92 Ų9262.6 Ų62.656%0.56436%0.36SS*.SBendtrans-129.118.8-165.748.50000113.4T16 R173T16-T28 CarbonylContact O-C 3.56Å; T16-T28 PolarHBondContact O-N 3.5Å; T28-R173 PolarHBondContact O-NH2 3.28Å
29S96.5Very high96.4Very high22 Ų2261.5 Ų61.515%0.15435%0.353CS..  trans-52139.7179.1-170.80000112T16 T18 C26 R173T16-S29 WeakPolarHBondContact CA-O 3.24Å; T16-S29 VanDerWaalsContact CB-O 3.29Å; T16-S29 WeakPolarHBondContact CB-O 3.49Å; T16-S29 WeakPolarHBondContact CG2-O 3.34Å; T16-S29 VanDerWaalsContact O-CB 3.28Å; T16-S29 WeakPolarHBondContact O-CB 3.47Å; T16-S29 PolarHBondContact O-N 2.89Å; T18-S29 VanDerWaalsContact OG1-CB 3.31Å; T18-S29 WeakPolarHBondContact OG1-CB 3.44Å; T18-S29 PolarHBondContact OG1-OG 2.99Å; C26-S29 PolarHBondContact SG-N 3.42Å; S29-R173 PolarHBondContact O-NE 2.84Å
30D96.4Very high96.6Very high52 Ų5259.6 Ų59.628%0.27834%0.34SS..  trans-99.699.2174.4-167.43.1000110.2I32 R43 R173 R184D30-I32 VanDerWaalsContact C-N 3.3Å; D30-I32 PolarHBondContact OD1-N 3.16Å; D30-I32 VanDerWaalsContact OD1-O 3.07Å; D30-R43 PolarHBondContact O-NH2 3.37Å; D30-R173 WeakPolarHBondContact OD1-CD 3.46Å; D30-R173 IonicContact OD1-NE 3.88Å; D30-R184 IonicContact OD1-NH1 3.64Å; D30-R184 IonicContact OD1-NH2 3.98Å; D30-R184 IonicContact OD2-CZ 3.66Å; D30-R184 IonicContact OD2-NH1 2.65Å; D30-R184 PolarHBondContact OD2-NH1 3.45Å; D30-R184 IonicContact OD2-NH2 3.8Å
31K97.7Very high96.8Very high31 Ų3155.7 Ų55.714%0.13531%0.313CS..  trans-86.4-3.4-178.9-58.6-178.4-173.21760112.9T14 D15 R17 L42 R43T14-K31 HydrophobicContact CG2-CB 4Å; D15-K31 IonicContact OD1-NZ 2.72Å; D15-K31 PolarHBondContact OD1-NZ 2.73Å; D15-K31 IonicContact OD2-NZ 3.07Å; D15-K31 PolarHBondContact OD2-NZ 3.5Å; R17-K31 WeakPolarHBondContact O-CE 3.35Å; R17-K31 PolarHBondContact O-NZ 2.88Å; K31-L42 WeakPolarHBondContact O-CA 3.46Å; K31-R43 PolarHBondContact O-N 2.88Å
32I98.2Very high97.1Very high5 Ų552.5 Ų52.53%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-101.2120.7174.9-47.4-175.8000106.1V12 T14 D30 L42 R173 A175 R184V12-I32 HydrophobicContact CG2-CD1 4.11Å; V12-I32 HydrophobicContact CG2-CG2 4.25Å; T14-I32 HydrophobicContact CG2-CD1 4.31Å; T14-I32 HydrophobicContact CG2-CG1 3.77Å; D30-I32 VanDerWaalsContact C-N 3.3Å; D30-I32 PolarHBondContact OD1-N 3.16Å; D30-I32 VanDerWaalsContact OD1-O 3.07Å; I32-L42 HydrophobicContact CB-CD2 4.12Å; I32-L42 HydrophobicContact CD1-CD2 4.34Å; I32-L42 HydrophobicContact CG1-CD2 3.71Å; I32-L42 HydrophobicContact CG2-CD2 3.91Å; I32-R173 HydrophobicContact CD1-CB 3.98Å; I32-A175 HydrophobicContact CD1-CB 4.26Å; I32-A175 HydrophobicContact CG2-CB 4.29Å; I32-R184 VanDerWaalsContact C-NH2 3.31Å; I32-R184 PolarHBondContact O-NH2 2.79Å
33T98Very high97.3Very high33 Ų3347.9 Ų47.920%0.20224%0.238CC..EExtended strand (participates in β ladder)trans-118.5128.1175.1-56.30000109.8G40 V41 R43 T54T33-G40 CarbonylContact O-C 3.58Å; T33-G40 VanDerWaalsContact O-CA 3.29Å; T33-G40 WeakPolarHBondContact O-CA 3.24Å; T33-V41 PolarHBondContact N-O 2.94Å; T33-V41 PolarHBondContact O-N 3.08Å; T33-R43 PolarHBondContact OG1-NE 3.01Å; T33-T54 HydrophobicContact CG2-CG2 3.56Å
34Q97.9Very high97.3Very high80 Ų8043.4 Ų43.437%0.37422%0.216SC..EExtended strand (participates in β ladder)trans-81.2124.6172.4179.11693.700109.9S36 R37 I182Q34-S36 WeakPolarHBondContact CG-O 3.33Å; Q34-S36 PolarHBondContact NE2-O 3.11Å; Q34-R37 PolarHBondContact NE2-O 2.74Å; Q34-I182 HydrophobicContact CB-CD1 4.23Å; Q34-I182 HydrophobicContact CG-CD1 3.66Å
35V97.8Very high97.2Very high3 Ų343.4 Ų43.42%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-112.1-22.6-177.8-62.80000113.5I39 V41 T54 I61 F81V35-I39 HydrophobicContact CG2-CB 3.94Å; V35-I39 HydrophobicContact CG2-CG2 3.57Å; V35-I39 WeakPolarHBondContact CG2-O 3.48Å; V35-I39 PolarHBondContact N-O 2.82Å; V35-V41 HydrophobicContact CG1-CG1 3.88Å; V35-T54 HydrophobicContact CG1-CG2 3.74Å; V35-I61 HydrophobicContact CB-CD1 3.95Å; V35-I61 HydrophobicContact CG2-CD1 3.81Å; V35-F81 HydrophobicContact CG1-CE2 4.49Å; V35-F81 HydrophobicContact CG1-CZ 4.13Å; V35-F81 HydrophobicContact CG2-CE2 4.43Å
36S96.6Very high97.2Very high11 Ų1141.4 Ų41.48%0.07722%0.216CC..EExtended strand (participates in β ladder)trans-142177.3167176.90000109Q34 Y38 I39 E65Q34-S36 WeakPolarHBondContact CG-O 3.33Å; Q34-S36 PolarHBondContact NE2-O 3.11Å; S36-Y38 PolarHBondContact O-N 2.81Å; S36-Y38 VanDerWaalsContact O-N 3.16Å; S36-I39 PolarHBondContact N-O 2.92Å; S36-I39 PolarHBondContact O-N 2.94Å; S36-E65 PolarHBondContact OG-OE1 2.91Å
37R96Very high97.1Very high136 Ų13641.4 Ų41.451%0.51322%0.216SC..THydrogen-bonded Turntrans-53.5-34.8177.2-176.3171.1174171-4.1113.1Q34Q34-R37 PolarHBondContact NE2-O 2.74Å
38Y97.8Very high97.1Very high44 Ų4435.5 Ų35.517%0.17321%0.208CC..THydrogen-bonded Turntrans-122.79.9-174.2-49.9-72000113.9S36 G100 W101 I177 N178 S179S36-Y38 PolarHBondContact O-N 2.81Å; S36-Y38 VanDerWaalsContact O-N 3.16Å; Y38-G100 CarbonylContact O-C 3.54Å; Y38-G100 WeakPolarHBondContact O-CA 3.36Å; Y38-W101 WeakPolarHBondContact CB-O 3.46Å; Y38-W101 PolarHBondContact O-N 2.88Å; Y38-I177 WeakPolarHBondContact O-CG2 3.48Å; Y38-N178 WeakPolarHBondContact CD1-O 3.44Å; Y38-S179 WeakPolarHBondContact CE1-O 3.48Å
39I98.6Very high97.1Very high1 Ų132.7 Ų32.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-129128.6-174.5-55.5172.5000110.1V35 S36 I72 V74 A77 V98 C99 I182V35-I39 HydrophobicContact CG2-CB 3.94Å; V35-I39 HydrophobicContact CG2-CG2 3.57Å; V35-I39 WeakPolarHBondContact CG2-O 3.48Å; V35-I39 PolarHBondContact N-O 2.82Å; S36-I39 PolarHBondContact N-O 2.92Å; S36-I39 PolarHBondContact O-N 2.94Å; I39-I72 HydrophobicContact CD1-CG2 3.65Å; I39-V74 HydrophobicContact CD1-CG2 4.47Å; I39-V74 HydrophobicContact CG1-CG2 4.22Å; I39-A77 HydrophobicContact CD1-CB 3.82Å; I39-A77 HydrophobicContact CG2-CB 4.36Å; I39-V98 HydrophobicContact CG2-CG1 4.03Å; I39-C99 WeakPolarHBondContact CA-O 3.3Å; I39-I182 WeakPolarHBondContact O-CD1 3.32Å
40G98.4Very high97.2Very high1 Ų131.8 Ų31.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-121.9152.3173.400000111.9T33 C99T33-G40 CarbonylContact O-C 3.58Å; T33-G40 VanDerWaalsContact O-CA 3.29Å; T33-G40 WeakPolarHBondContact O-CA 3.24Å; G40-C99 PolarHBondContact N-O 3.04Å; G40-C99 PolarHBondContact O-N 3.23Å; G40-C99 PolarHBondContact O-SG 3.4Å; G40-C99 VanDerWaalsContact O-SG 3.4Å
41V98.6Very high97.2Very high0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-120.7133.9172.565.10000110.2T33 V35 R43 T54 F81 L96 I97 V98T33-V41 PolarHBondContact N-O 2.94Å; T33-V41 PolarHBondContact O-N 3.08Å; V35-V41 HydrophobicContact CG1-CG1 3.88Å; V41-R43 HydrophobicContact CG1-CG 4.35Å; V41-R43 HydrophobicContact CG2-CG 4.5Å; V41-T54 HydrophobicContact CG1-CG2 3.73Å; V41-F81 HydrophobicContact CB-CE2 4.31Å; V41-F81 HydrophobicContact CB-CZ 4Å; V41-F81 HydrophobicContact CG1-CZ 3.93Å; V41-F81 HydrophobicContact CG2-CE1 4.18Å; V41-F81 HydrophobicContact CG2-CE2 4.42Å; V41-F81 HydrophobicContact CG2-CZ 4.03Å; V41-L96 HydrophobicContact CG2-CB 4.17Å; V41-L96 HydrophobicContact CG2-CD2 4.03Å; V41-I97 CarbonylContact C-O 3.54Å; V41-I97 VanDerWaalsContact CA-O 3.31Å; V41-I97 WeakPolarHBondContact CA-O 3.37Å; V41-V98 HydrophobicContact CG2-CG2 4.11Å
42L98.6Very high97.2Very high0 Ų034.6 Ų34.60%020%0.203CC..EExtended strand (participates in β ladder)trans-95.9135.2170-44.5-179.6000108.9M1 I2 A3 V12 T14 K31 I32 L96 I97M1-L42 HydrophobicContact CB-CB 4.09Å; M1-L42 HydrophobicContact CB-CD1 4.01Å; M1-L42 HydrophobicContact CE-CB 4.38Å; M1-L42 HydrophobicContact CG-CB 4.19Å; M1-L42 HydrophobicContact SD-CB 3.49Å; M1-L42 WeakPolarHBondContact SD-CB 3.15Å; I2-L42 WeakPolarHBondContact O-CD1 3.06Å; A3-L42 HydrophobicContact CB-CD1 4.27Å; V12-L42 HydrophobicContact CB-CD1 3.91Å; V12-L42 HydrophobicContact CB-CD2 3.81Å; V12-L42 HydrophobicContact CB-CG 4.35Å; V12-L42 HydrophobicContact CG1-CD1 3.94Å; V12-L42 HydrophobicContact CG1-CD2 4.2Å; V12-L42 HydrophobicContact CG1-CG 4.32Å; V12-L42 HydrophobicContact CG2-CD2 3.96Å; T14-L42 HydrophobicContact CG2-CD1 4.49Å; T14-L42 HydrophobicContact CG2-CD2 4Å; K31-L42 WeakPolarHBondContact O-CA 3.46Å; I32-L42 HydrophobicContact CB-CD2 4.12Å; I32-L42 HydrophobicContact CD1-CD2 4.34Å; I32-L42 HydrophobicContact CG1-CD2 3.71Å; I32-L42 HydrophobicContact CG2-CD2 3.91Å; L42-L96 WeakPolarHBondContact O-CA 3.42Å; L42-I97 HydrophobicContact CB-CB 4.06Å; L42-I97 HydrophobicContact CD1-CB 4.11Å; L42-I97 HydrophobicContact CD1-CD1 4.05Å; L42-I97 HydrophobicContact CD1-CG2 4.3Å; L42-I97 HydrophobicContact CG-CB 4.16Å; L42-I97 PolarHBondContact N-O 3.4Å; L42-I97 PolarHBondContact O-N 3.18Å
43R97.8Very high97.2Very high15 Ų1534.5 Ų34.56%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-119.2130.4-171.7-58.9179.6-58.298.3-1.4113.1M1 D30 K31 T33 V41 T50 T54 L96M1-R43 PolarHBondContact SD-N 2.71Å; D30-R43 PolarHBondContact O-NH2 3.37Å; K31-R43 PolarHBondContact O-N 2.88Å; T33-R43 PolarHBondContact OG1-NE 3.01Å; V41-R43 HydrophobicContact CG1-CG 4.35Å; V41-R43 HydrophobicContact CG2-CG 4.5Å; R43-T50 HydrophobicContact CB-CG2 4.29Å; R43-T50 PolarHBondContact NH1-OG1 3Å; R43-T50 VanDerWaalsContact NH1-OG1 3.17Å; R43-T54 VanDerWaalsContact CD-OG1 3.29Å; R43-T54 WeakPolarHBondContact CD-OG1 3.42Å; R43-L96 HydrophobicContact CB-CD2 4.44Å; R43-L96 HydrophobicContact CG-CD2 4.01Å
44S96Very high97.2Very high23 Ų2333 Ų3316%0.16119%0.193CC..EExtended strand (participates in β ladder)trans-144.3160.8173.266.60000111.7M1 T50 G95M1-S44 VanDerWaalsContact CE-CB 3.46Å; M1-S44 WeakPolarHBondContact CE-OG 3.49Å; S44-T50 VanDerWaalsContact O-CG2 3.23Å; S44-T50 WeakPolarHBondContact O-CG2 3.18Å; S44-G95 PolarHBondContact N-O 3.03Å; S44-G95 PolarHBondContact O-N 3.42Å; S44-G95 VanDerWaalsContact O-O 3.13Å; S44-G95 PolarHBondContact OG-O 3.03Å
45G95.1Very high97.2Very high48 Ų4834.1 Ų34.150%0.49520%0.202SC..EExtended strand (participates in β ladder)trans99.2-144.5-170.700000110.8S47G45-S47 PolarHBondContact O-N 3.38Å
46S96Very high97.2Very high40 Ų4037.9 Ų37.928%0.2822%0.221SC..  trans-62.9122.7173.81730000109.8A48 D49 T50 T93S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.82Å; S46-D49 WeakPolarHBondContact CB-OD1 3.38Å; S46-D49 WeakPolarHBondContact CB-OD2 3.39Å; S46-D49 PolarHBondContact OG-N 3.34Å; S46-D49 PolarHBondContact OG-OD1 3.01Å; S46-D49 PolarHBondContact OG-OD2 3.07Å; S46-T50 WeakPolarHBondContact O-CG2 3.39Å; S46-T50 PolarHBondContact O-N 3.48Å; S46-T50 VanDerWaalsContact O-N 3.07Å; S46-T50 PolarHBondContact O-OG1 3.25Å; S46-T93 PolarHBondContact N-O 2.91Å
47S95.1Very high97.2Very high45 Ų4537.3 Ų37.332%0.31522%0.217SC..Hα-helixtrans-64.7-37.5178.8-67.80000111.1G45 T50 Q51G45-S47 PolarHBondContact O-N 3.38Å; S47-T50 PolarHBondContact O-OG1 3.23Å; S47-Q51 VanDerWaalsContact O-CB 3.32Å; S47-Q51 WeakPolarHBondContact O-CB 3.44Å; S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 3.14Å; S47-Q51 VanDerWaalsContact O-N 3.09Å; S47-Q51 PolarHBondContact O-OE1 3.46Å
48A96.2Very high97.3Very high64 Ų6435 Ų3553%0.52921%0.211SC..Hα-helixtrans-64.4-51.2177.800000111.1S46 T50 Q51 A52S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.82Å; A48-T50 PolarHBondContact O-N 2.94Å; A48-Q51 PolarHBondContact O-N 2.97Å; A48-A52 WeakPolarHBondContact O-CB 3.32Å; A48-A52 PolarHBondContact O-N 3.26Å
49D96.7Very high97.3Very high33 Ų3340 Ų4018%0.17623%0.231CC..Hα-helixtrans-61.3-49.1-177.1-52.97.3000110.5S46 Q51 A52 I53 L92 T93S46-D49 WeakPolarHBondContact CB-OD1 3.38Å; S46-D49 WeakPolarHBondContact CB-OD2 3.39Å; S46-D49 PolarHBondContact OG-N 3.34Å; S46-D49 PolarHBondContact OG-OD1 3.01Å; S46-D49 PolarHBondContact OG-OD2 3.07Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 3.46Å; D49-A52 PolarHBondContact O-N 3.13Å; D49-I53 VanDerWaalsContact O-CG1 3.25Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 2.97Å; D49-L92 HydrophobicContact CB-CB 4.32Å; D49-L92 HydrophobicContact CB-CD2 3.96Å; D49-L92 WeakPolarHBondContact OD2-CA 3.15Å; D49-T93 PolarHBondContact OD2-N 2.83Å
50T97.6Very high97.2Very high2 Ų244 Ų441%0.01225%0.249CC..Hα-helixtrans-66-32.9-178.957.40000112.9R43 S44 S46 S47 A48 T54 A94 L96R43-T50 HydrophobicContact CB-CG2 4.29Å; R43-T50 PolarHBondContact NH1-OG1 3Å; R43-T50 VanDerWaalsContact NH1-OG1 3.17Å; S44-T50 VanDerWaalsContact O-CG2 3.23Å; S44-T50 WeakPolarHBondContact O-CG2 3.18Å; S46-T50 WeakPolarHBondContact O-CG2 3.39Å; S46-T50 PolarHBondContact O-N 3.48Å; S46-T50 VanDerWaalsContact O-N 3.07Å; S46-T50 PolarHBondContact O-OG1 3.25Å; S47-T50 PolarHBondContact O-OG1 3.23Å; A48-T50 PolarHBondContact O-N 2.94Å; T50-T54 VanDerWaalsContact O-CB 3.29Å; T50-T54 WeakPolarHBondContact O-CB 3.27Å; T50-T54 PolarHBondContact O-N 3.22Å; T50-T54 VanDerWaalsContact O-N 3.13Å; T50-T54 PolarHBondContact O-OG1 2.91Å; T50-A94 HydrophobicContact CG2-CB 3.77Å; T50-L96 HydrophobicContact CG2-CD2 3.95Å
51Q96.9Very high97.2Very high92 Ų9243.9 Ų43.943%0.4325%0.248SC..Hα-helixtrans-68.1-49.1173.7-75.8171.7-29.900110.9S47 A48 D49 I53 T54 D55S47-Q51 VanDerWaalsContact O-CB 3.32Å; S47-Q51 WeakPolarHBondContact O-CB 3.44Å; S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 3.14Å; S47-Q51 VanDerWaalsContact O-N 3.09Å; S47-Q51 PolarHBondContact O-OE1 3.46Å; A48-Q51 PolarHBondContact O-N 2.97Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 3.46Å; Q51-I53 PolarHBondContact O-N 2.96Å; Q51-T54 WeakPolarHBondContact O-CB 3.13Å; Q51-T54 PolarHBondContact O-N 3.21Å; Q51-T54 VanDerWaalsContact O-N 3.07Å; Q51-D55 PolarHBondContact O-N 3.48Å
52A97.4Very high97.1Very high50 Ų5047.4 Ų47.441%0.41327%0.267SS..Hα-helixtrans-58.2-48.1179.100000112.1A48 D49 T54 D55 I56A48-A52 WeakPolarHBondContact O-CB 3.32Å; A48-A52 PolarHBondContact O-N 3.26Å; D49-A52 PolarHBondContact O-N 3.13Å; A52-T54 VanDerWaalsContact C-N 3.29Å; A52-T54 PolarHBondContact O-N 3.38Å; A52-D55 PolarHBondContact O-N 2.8Å; A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 VanDerWaalsContact O-CG1 3.29Å; A52-I56 WeakPolarHBondContact O-CG1 3.36Å; A52-I56 PolarHBondContact O-N 3.29Å
53I97.4Very high97Very high3 Ų352.3 Ų52.32%0.01529%0.289CS..Hα-helixtrans-58.2-45.2175.2-63.1166000110.2D49 Q51 D55 I56 V57 F81 I84 L92 A94 L96D49-I53 VanDerWaalsContact O-CG1 3.25Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 2.97Å; Q51-I53 PolarHBondContact O-N 2.96Å; I53-D55 VanDerWaalsContact C-N 3.35Å; I53-D55 PolarHBondContact O-N 2.91Å; I53-I56 PolarHBondContact O-N 3.5Å; I53-V57 HydrophobicContact CG2-CG2 4.19Å; I53-V57 VanDerWaalsContact O-CG2 3.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 2.89Å; I53-F81 HydrophobicContact CG2-CD1 3.71Å; I53-F81 HydrophobicContact CG2-CE1 3.98Å; I53-I84 HydrophobicContact CG1-CG2 4.04Å; I53-I84 HydrophobicContact CG2-CB 4.45Å; I53-I84 HydrophobicContact CG2-CG2 4.11Å; I53-L92 HydrophobicContact CD1-CD1 3.72Å; I53-L92 HydrophobicContact CG1-CD1 3.88Å; I53-A94 HydrophobicContact CD1-CB 3.55Å; I53-L96 HydrophobicContact CG2-CD1 4.27Å
54T98.1Very high96.9Very high1 Ų154.5 Ų54.51%0.00630%0.297CS..Hα-helixtrans-63.8-40.2-177.8-60.10000112.2T33 V35 V41 R43 T50 Q51 A52 V57 K58 F81T33-T54 HydrophobicContact CG2-CG2 3.56Å; V35-T54 HydrophobicContact CG1-CG2 3.74Å; V41-T54 HydrophobicContact CG1-CG2 3.73Å; R43-T54 VanDerWaalsContact CD-OG1 3.29Å; R43-T54 WeakPolarHBondContact CD-OG1 3.42Å; T50-T54 VanDerWaalsContact O-CB 3.29Å; T50-T54 WeakPolarHBondContact O-CB 3.27Å; T50-T54 PolarHBondContact O-N 3.22Å; T50-T54 VanDerWaalsContact O-N 3.13Å; T50-T54 PolarHBondContact O-OG1 2.91Å; Q51-T54 WeakPolarHBondContact O-CB 3.13Å; Q51-T54 PolarHBondContact O-N 3.21Å; Q51-T54 VanDerWaalsContact O-N 3.07Å; A52-T54 VanDerWaalsContact C-N 3.29Å; A52-T54 PolarHBondContact O-N 3.38Å; T54-V57 PolarHBondContact O-N 3.5Å; T54-K58 VanDerWaalsContact O-CB 3.24Å; T54-K58 WeakPolarHBondContact O-CB 3.41Å; T54-K58 PolarHBondContact O-N 2.81Å; T54-F81 HydrophobicContact CG2-CZ 4.48Å
55D97.8Very high96.9Very high104 Ų10454.2 Ų54.256%0.55629%0.293SS*.Hα-helixtrans-67.4-42.3178.7-69-23.4000111.4Q51 A52 I53 K58 Y59Q51-D55 PolarHBondContact O-N 3.48Å; A52-D55 PolarHBondContact O-N 2.8Å; I53-D55 VanDerWaalsContact C-N 3.35Å; I53-D55 PolarHBondContact O-N 2.91Å; D55-K58 PolarHBondContact O-N 3.42Å; D55-Y59 PolarHBondContact O-N 2.91Å
56I97.6Very high96.9Very high82 Ų8259.4 Ų59.442%0.42131%0.307SS..Hα-helixtrans-61-48.5174.2-66.9164.7000110.7A52 I53 K58 Y59 H60 I84A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 VanDerWaalsContact O-CG1 3.29Å; A52-I56 WeakPolarHBondContact O-CG1 3.36Å; A52-I56 PolarHBondContact O-N 3.29Å; I53-I56 PolarHBondContact O-N 3.5Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.94Å; I56-Y59 WeakPolarHBondContact O-CB 3.4Å; I56-Y59 PolarHBondContact O-N 3.02Å; I56-H60 PolarHBondContact O-CD2 2.98Å; I56-H60 PolarHBondContact O-N 3.38Å; I56-I84 HydrophobicContact CB-CD1 4.46Å; I56-I84 HydrophobicContact CG2-CD1 3.72Å
57V97.8Very high97Very high0 Ų064 Ų640%032%0.324CS..Hα-helixtrans-65.9-38.6-179.6176.30000111.4I53 T54 Y59 H60 I61 I80 F81 I84I53-V57 HydrophobicContact CG2-CG2 4.19Å; I53-V57 VanDerWaalsContact O-CG2 3.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 2.89Å; T54-V57 PolarHBondContact O-N 3.5Å; V57-Y59 VanDerWaalsContact C-N 3.29Å; V57-Y59 PolarHBondContact O-N 3.44Å; V57-H60 PolarHBondContact O-N 2.84Å; V57-I61 HydrophobicContact CG1-CD1 3.7Å; V57-I61 HydrophobicContact CG1-CG1 4.09Å; V57-I61 WeakPolarHBondContact O-CB 3.31Å; V57-I61 VanDerWaalsContact O-CG1 3.31Å; V57-I61 WeakPolarHBondContact O-CG1 3.49Å; V57-I61 PolarHBondContact O-N 3.28Å; V57-I80 HydrophobicContact CB-CG2 4.49Å; V57-I80 HydrophobicContact CG1-CB 4.26Å; V57-I80 HydrophobicContact CG1-CG2 4.16Å; V57-I80 HydrophobicContact CG2-CG2 3.94Å; V57-F81 HydrophobicContact CB-CD1 4.22Å; V57-F81 HydrophobicContact CB-CD2 4.35Å; V57-F81 HydrophobicContact CB-CE1 3.87Å; V57-F81 HydrophobicContact CB-CE2 4Å; V57-F81 HydrophobicContact CB-CG 4.45Å; V57-F81 HydrophobicContact CB-CZ 3.73Å; V57-F81 HydrophobicContact CG1-CD1 4.4Å; V57-F81 HydrophobicContact CG1-CD2 3.66Å; V57-F81 HydrophobicContact CG1-CE1 4.19Å; V57-F81 HydrophobicContact CG1-CE2 3.4Å; V57-F81 VanDerWaalsContact CG1-CE2 3.4Å; V57-F81 HydrophobicContact CG1-CG 4.16Å; V57-F81 HydrophobicContact CG1-CZ 3.69Å; V57-F81 HydrophobicContact CG2-CD1 3.67Å; V57-F81 HydrophobicContact CG2-CD2 4.31Å; V57-F81 HydrophobicContact CG2-CE1 3.76Å; V57-F81 HydrophobicContact CG2-CE2 4.39Å; V57-F81 HydrophobicContact CG2-CG 3.96Å; V57-F81 HydrophobicContact CG2-CZ 4.12Å; V57-I84 HydrophobicContact CG2-CD1 3.62Å
58K97.8Very high96.9Very high87 Ų8769.1 Ų69.138%0.37834%0.336SS..Hα-helixtrans-60.4-40.1175.4-174.4175.6179-179.60111.5T54 D55 I56 I61 N62T54-K58 VanDerWaalsContact O-CB 3.24Å; T54-K58 WeakPolarHBondContact O-CB 3.41Å; T54-K58 PolarHBondContact O-N 2.81Å; D55-K58 PolarHBondContact O-N 3.42Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.94Å; K58-I61 PolarHBondContact O-N 3.47Å; K58-N62 WeakPolarHBondContact O-CB 3.46Å; K58-N62 VanDerWaalsContact O-CG 3.24Å; K58-N62 PolarHBondContact O-N 3.37Å; K58-N62 PolarHBondContact O-ND2 3.34Å
59Y97.5Very high96.8Very high149 Ų14969.4 Ų69.458%0.58435%0.346SS*.Hα-helixtrans-60.3-49.9171.9172.3-94.6000111.8D55 I56 V57 I61 N62 F63D55-Y59 PolarHBondContact O-N 2.91Å; I56-Y59 WeakPolarHBondContact O-CB 3.4Å; I56-Y59 PolarHBondContact O-N 3.02Å; V57-Y59 VanDerWaalsContact C-N 3.29Å; V57-Y59 PolarHBondContact O-N 3.44Å; Y59-I61 VanDerWaalsContact C-N 3.34Å; Y59-I61 PolarHBondContact O-N 3.16Å; Y59-N62 PolarHBondContact O-N 2.86Å; Y59-F63 WeakPolarHBondContact O-CB 3.3Å; Y59-F63 PolarHBondContact O-N 2.9Å
60H96.9Very high96.7Very high84 Ų8474.3 Ų74.339%0.38937%0.368SS..Hα-helixtrans-61.1-39.5178.3-75.6-67.8000113.2I56 V57 Y64 I80I56-H60 PolarHBondContact O-CD2 2.98Å; I56-H60 PolarHBondContact O-N 3.38Å; V57-H60 PolarHBondContact O-N 2.84Å; H60-Y64 VanDerWaalsContact O-CB 3.24Å; H60-Y64 WeakPolarHBondContact O-CB 3.21Å; H60-Y64 PolarHBondContact O-N 2.87Å; H60-I80 HydrophobicContact CB-CD1 4.28Å; H60-I80 HydrophobicContact CB-CG2 4.26Å
61I97.4Very high96.6Very high0 Ų081.1 Ų81.10%039%0.393CS..Hα-helixtrans-62.4-49.7175.8-73.5170.8000110.4V35 V57 K58 Y59 F63 Y64 E65 I72 A77V35-I61 HydrophobicContact CB-CD1 3.95Å; V35-I61 HydrophobicContact CG2-CD1 3.81Å; V57-I61 HydrophobicContact CG1-CD1 3.7Å; V57-I61 HydrophobicContact CG1-CG1 4.09Å; V57-I61 WeakPolarHBondContact O-CB 3.31Å; V57-I61 VanDerWaalsContact O-CG1 3.31Å; V57-I61 WeakPolarHBondContact O-CG1 3.49Å; V57-I61 PolarHBondContact O-N 3.28Å; K58-I61 PolarHBondContact O-N 3.47Å; Y59-I61 VanDerWaalsContact C-N 3.34Å; Y59-I61 PolarHBondContact O-N 3.16Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 PolarHBondContact O-N 2.97Å; I61-Y64 PolarHBondContact O-N 3.23Å; I61-E65 HydrophobicContact CG2-CG 4.42Å; I61-E65 WeakPolarHBondContact O-CG 3.4Å; I61-E65 PolarHBondContact O-N 3.49Å; I61-I72 HydrophobicContact CG1-CD1 3.95Å; I61-I72 HydrophobicContact CG1-CG2 4.35Å; I61-I72 HydrophobicContact CG2-CG2 3.75Å; I61-A77 HydrophobicContact CD1-CB 3.9Å; I61-A77 HydrophobicContact CG1-CB 4.42Å
62N96.5Very high96.6Very high73 Ų7377 Ų7739%0.3937%0.374SS..Hα-helixtrans-60.3-45.1179.9-71.7-22.4000111.2K58 Y59 E65 M66K58-N62 WeakPolarHBondContact O-CB 3.46Å; K58-N62 VanDerWaalsContact O-CG 3.24Å; K58-N62 PolarHBondContact O-N 3.37Å; K58-N62 PolarHBondContact O-ND2 3.34Å; Y59-N62 PolarHBondContact O-N 2.86Å; N62-E65 PolarHBondContact O-N 3.39Å; N62-M66 WeakPolarHBondContact O-CB 3.47Å; N62-M66 WeakPolarHBondContact O-CG 3.46Å; N62-M66 PolarHBondContact O-N 2.92Å
63F96.7Very high96.6Very high104 Ų10475.8 Ų75.846%0.45636%0.361SS..Hα-helixtrans-60.8-46.5176.8-177.2-96.8000111.9Y59 I61 E65 M66 E67Y59-F63 WeakPolarHBondContact O-CB 3.3Å; Y59-F63 PolarHBondContact O-N 2.9Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 PolarHBondContact O-N 2.97Å; F63-E65 PolarHBondContact O-N 2.86Å; F63-M66 PolarHBondContact O-N 2.76Å; F63-E67 WeakPolarHBondContact CE1-OE2 3.49Å; F63-E67 PolarHBondContact O-N 3.27Å
64Y96Very high96.7Very high60 Ų6075.6 Ų75.624%0.23536%0.36CS..Hα-helixtrans-57.8-46.5176.5176.9-81.9000112.4H60 I61 M66 E67 R68 I72H60-Y64 VanDerWaalsContact O-CB 3.24Å; H60-Y64 WeakPolarHBondContact O-CB 3.21Å; H60-Y64 PolarHBondContact O-N 2.87Å; I61-Y64 PolarHBondContact O-N 3.23Å; Y64-M66 VanDerWaalsContact C-N 3.32Å; Y64-M66 PolarHBondContact O-N 3.02Å; Y64-E67 PolarHBondContact O-N 3.04Å; Y64-R68 VanDerWaalsContact CE2-CZ 3.44Å; Y64-R68 VanDerWaalsContact CE2-NE 3.31Å; Y64-R68 PolarHBondContact O-N 2.92Å; Y64-R68 VanDerWaalsContact O-N 3.13Å; Y64-R68 PolarHBondContact OH-NH1 3.27Å; Y64-I72 HydrophobicContact CD1-CB 3.8Å; Y64-I72 HydrophobicContact CD1-CD1 4.06Å; Y64-I72 HydrophobicContact CD1-CG1 3.81Å; Y64-I72 HydrophobicContact CE1-CB 3.89Å; Y64-I72 HydrophobicContact CE1-CD1 4.38Å; Y64-I72 HydrophobicContact CE1-CG1 3.73Å; Y64-I72 HydrophobicContact CG-CD1 4.24Å; Y64-I72 HydrophobicContact CG-CG1 4.44Å
65E96.2Very high96.7Very high17 Ų1778.7 Ų78.78%0.07938%0.375CS..Hα-helixtrans-67.3-34.2179.6-67.8-168.5170.100111.9S36 I61 N62 F63 G69 E70 R71 I72S36-E65 PolarHBondContact OG-OE1 2.91Å; I61-E65 HydrophobicContact CG2-CG 4.42Å; I61-E65 WeakPolarHBondContact O-CG 3.4Å; I61-E65 PolarHBondContact O-N 3.49Å; N62-E65 PolarHBondContact O-N 3.39Å; F63-E65 PolarHBondContact O-N 2.86Å; E65-G69 WeakPolarHBondContact O-CA 3.33Å; E65-G69 PolarHBondContact O-N 3.42Å; E65-E70 WeakPolarHBondContact CA-O 3.47Å; E65-R71 WeakPolarHBondContact OE1-CD 3.32Å; E65-R71 WeakPolarHBondContact OE2-CD 3.31Å; E65-R71 IonicContact OE2-CZ 3.69Å; E65-R71 IonicContact OE2-NE 3.9Å; E65-R71 IonicContact OE2-NH1 2.74Å; E65-R71 PolarHBondContact OE2-NH1 2.83Å; E65-I72 HydrophobicContact CG-CB 4.26Å; E65-I72 PolarHBondContact OE1-N 3.4Å
66M96.1Very high96.7Very high157 Ų15774.9 Ų74.977%0.77336%0.358SS*.Hα-helixtrans-68.4-45.5175.7-73.6173.666.800112.2N62 F63 Y64N62-M66 WeakPolarHBondContact O-CB 3.47Å; N62-M66 WeakPolarHBondContact O-CG 3.46Å; N62-M66 PolarHBondContact O-N 2.92Å; F63-M66 PolarHBondContact O-N 2.76Å; Y64-M66 VanDerWaalsContact C-N 3.32Å; Y64-M66 PolarHBondContact O-N 3.02Å
67E96.3Very high96.7Very high137 Ų13771 Ų7164%0.6434%0.338SS*.Hα-helixtrans-66.9-40.8-178-170.3-172.8114.900111.9F63 Y64F63-E67 WeakPolarHBondContact CE1-OE2 3.49Å; F63-E67 PolarHBondContact O-N 3.27Å; Y64-E67 PolarHBondContact O-N 3.04Å
68R94.6Very high96.7Very high152 Ų15271 Ų7157%0.57434%0.338SS*.Hα-helixtrans-90.2-17.3-176.1-66.2-173.9176.2-150.6-4114.3Y64 E70Y64-R68 VanDerWaalsContact CE2-CZ 3.44Å; Y64-R68 VanDerWaalsContact CE2-NE 3.31Å; Y64-R68 PolarHBondContact O-N 2.92Å; Y64-R68 VanDerWaalsContact O-N 3.13Å; Y64-R68 PolarHBondContact OH-NH1 3.27Å; R68-E70 PolarHBondContact O-N 3.49Å
69G93.5Very high96.7Very high71 Ų7168.7 Ų68.773%0.73233%0.328SS*.SBendtrans66.411.1-172.400000114.1E65E65-G69 WeakPolarHBondContact O-CA 3.33Å; E65-G69 PolarHBondContact O-N 3.42Å
70E93.9Very high96.7Very high136 Ų13663.6 Ų63.664%0.63631%0.31SS*.SBendtrans-126153.4-178.5-67.9-169.9167.500110.9E65 R68E65-E70 WeakPolarHBondContact CA-O 3.47Å; R68-E70 PolarHBondContact O-N 3.49Å
71R95.7Very high96.8Very high145 Ų14559.6 Ų59.655%0.54729%0.292SS..PPolyproline II helixtrans-72.2140.9177.1-62.5-61.5175.9-145.3-10.1110.8E65E65-R71 WeakPolarHBondContact OE1-CD 3.32Å; E65-R71 WeakPolarHBondContact OE2-CD 3.31Å; E65-R71 IonicContact OE2-CZ 3.69Å; E65-R71 IonicContact OE2-NE 3.9Å; E65-R71 IonicContact OE2-NH1 2.74Å; E65-R71 PolarHBondContact OE2-NH1 2.83Å
72I97.6Very high96.8Very high6 Ų663.6 Ų63.63%0.03131%0.307CS..PPolyproline II helixtrans-66.6144.4176.5-162.5171.8000110.4I39 I61 Y64 E65 A76 A77 I80I39-I72 HydrophobicContact CD1-CG2 3.65Å; I61-I72 HydrophobicContact CG1-CD1 3.95Å; I61-I72 HydrophobicContact CG1-CG2 4.35Å; I61-I72 HydrophobicContact CG2-CG2 3.75Å; Y64-I72 HydrophobicContact CD1-CB 3.8Å; Y64-I72 HydrophobicContact CD1-CD1 4.06Å; Y64-I72 HydrophobicContact CD1-CG1 3.81Å; Y64-I72 HydrophobicContact CE1-CB 3.89Å; Y64-I72 HydrophobicContact CE1-CD1 4.38Å; Y64-I72 HydrophobicContact CE1-CG1 3.73Å; Y64-I72 HydrophobicContact CG-CD1 4.24Å; Y64-I72 HydrophobicContact CG-CG1 4.44Å; E65-I72 HydrophobicContact CG-CB 4.26Å; E65-I72 PolarHBondContact OE1-N 3.4Å; I72-A76 HydrophobicContact CD1-CB 4.03Å; I72-A76 HydrophobicContact CG1-CB 3.74Å; I72-A77 HydrophobicContact CD1-CB 4.18Å; I72-A77 HydrophobicContact CG2-CB 4.35Å; I72-I80 HydrophobicContact CD1-CD1 3.97Å
73T97.9Very high96.8Very high23 Ų2363.5 Ų63.514%0.14131%0.307CS..PPolyproline II helixtrans-74.8154.4171.764.20000110.8H75 A76 A77 D102T73-H75 PolarHBondContact O-N 3.39Å; T73-A76 PolarHBondContact O-N 2.89Å; T73-A76 VanDerWaalsContact OG1-CB 3.24Å; T73-A76 WeakPolarHBondContact OG1-CB 3.42Å; T73-A76 PolarHBondContact OG1-N 2.96Å; T73-A76 VanDerWaalsContact OG1-N 3.15Å; T73-A77 PolarHBondContact O-N 3.44Å; T73-A77 VanDerWaalsContact O-N 3.07Å; T73-D102 WeakPolarHBondContact CB-OD2 3.32Å
74V98.4Very high96.8Very high0 Ų059.8 Ų59.80%029%0.291CS..Hα-helixtrans-60.6-40.7177.8-171.20000110.1I39 A77 A78 G100 D102 Q108 Y110I39-V74 HydrophobicContact CD1-CG2 4.47Å; I39-V74 HydrophobicContact CG1-CG2 4.22Å; V74-A77 PolarHBondContact O-N 2.76Å; V74-A78 WeakPolarHBondContact O-CB 3.5Å; V74-A78 PolarHBondContact O-N 3.15Å; V74-G100 VanDerWaalsContact CG2-C 3.49Å; V74-D102 HydrophobicContact CG2-CB 4.12Å; V74-D102 WeakPolarHBondContact CG2-OD2 3.49Å; V74-D102 PolarHBondContact N-OD2 3.07Å; V74-Q108 HydrophobicContact CB-CB 4.02Å; V74-Q108 HydrophobicContact CG1-CB 3.92Å; V74-Q108 HydrophobicContact CG2-CB 4.36Å; V74-Y110 HydrophobicContact CB-CE2 4.43Å; V74-Y110 HydrophobicContact CG1-CD2 4.07Å; V74-Y110 HydrophobicContact CG1-CE2 4.09Å
75H98.1Very high96.8Very high66 Ų6657.2 Ų57.231%0.30628%0.282SS..Hα-helixtrans-60.6-47.6177.2-174.675.2000112.3T73 A78 Q79 Y110T73-H75 PolarHBondContact O-N 3.39Å; H75-A78 PolarHBondContact O-N 3.19Å; H75-Q79 PolarHBondContact CE1-NE2 3.22Å; H75-Q79 VanDerWaalsContact CE1-NE2 3.29Å; H75-Q79 PolarHBondContact NE2-NE2 2.95Å; H75-Q79 WeakPolarHBondContact O-CG 3.49Å; H75-Q79 PolarHBondContact O-N 2.82Å; H75-Y110 HydrophobicContact CB-CE2 4.14Å; H75-Y110 AromaticContact ND1-CE1 3.61Å; H75-Y110 AromaticContact ND1-CZ 3.41Å; H75-Y110 PolarHBondContact ND1-OH 2.69Å; H75-Y110 VanDerWaalsContact ND1-OH 3.14Å
76A97.4Very high96.7Very high24 Ų2462.6 Ų62.620%0.19830%0.303CS..Hα-helixtrans-63.9-43.1179.900000111.7I72 T73 A78 Q79 I80I72-A76 HydrophobicContact CD1-CB 4.03Å; I72-A76 HydrophobicContact CG1-CB 3.74Å; T73-A76 PolarHBondContact O-N 2.89Å; T73-A76 VanDerWaalsContact OG1-CB 3.24Å; T73-A76 WeakPolarHBondContact OG1-CB 3.42Å; T73-A76 PolarHBondContact OG1-N 2.96Å; T73-A76 VanDerWaalsContact OG1-N 3.15Å; A76-A78 VanDerWaalsContact C-N 3.3Å; A76-A78 PolarHBondContact O-N 2.85Å; A76-Q79 PolarHBondContact O-N 3.18Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 2.72Å
77A98.4Very high96.7Very high0 Ų064 Ų640%030%0.299CS..Hα-helixtrans-58.2-43.4173.500000111.9I39 I61 I72 T73 V74 Q79 I80 F81I39-A77 HydrophobicContact CD1-CB 3.82Å; I39-A77 HydrophobicContact CG2-CB 4.36Å; I61-A77 HydrophobicContact CD1-CB 3.9Å; I61-A77 HydrophobicContact CG1-CB 4.42Å; I72-A77 HydrophobicContact CD1-CB 4.18Å; I72-A77 HydrophobicContact CG2-CB 4.35Å; T73-A77 PolarHBondContact O-N 3.44Å; T73-A77 VanDerWaalsContact O-N 3.07Å; V74-A77 PolarHBondContact O-N 2.76Å; A77-Q79 VanDerWaalsContact C-N 3.33Å; A77-Q79 PolarHBondContact O-N 3.39Å; A77-I80 PolarHBondContact O-N 3.43Å; A77-F81 WeakPolarHBondContact O-CD2 3.06Å; A77-F81 PolarHBondContact O-N 2.82Å
78A98.3Very high96.7Very high0 Ų062.6 Ų62.60%029%0.289CS..Hα-helixtrans-64.8-33.7177.500000113V74 H75 A76 F81 R82 V98 Y110 I118V74-A78 WeakPolarHBondContact O-CB 3.5Å; V74-A78 PolarHBondContact O-N 3.15Å; H75-A78 PolarHBondContact O-N 3.19Å; A76-A78 VanDerWaalsContact C-N 3.3Å; A76-A78 PolarHBondContact O-N 2.85Å; A78-F81 PolarHBondContact O-N 2.92Å; A78-R82 WeakPolarHBondContact O-CB 3.21Å; A78-R82 PolarHBondContact O-N 3.44Å; A78-V98 HydrophobicContact CB-CB 4.02Å; A78-V98 HydrophobicContact CB-CG1 3.95Å; A78-V98 HydrophobicContact CB-CG2 4.43Å; A78-Y110 HydrophobicContact CB-CD2 3.65Å; A78-Y110 HydrophobicContact CB-CE2 4.42Å; A78-Y110 HydrophobicContact CB-CG 3.7Å; A78-I118 HydrophobicContact CB-CD1 3.75Å
79Q97.7Very high96.6Very high39 Ų3960.5 Ų60.518%0.18228%0.281CS..Hα-helixtrans-63.8-42.1173.7-67.6-56.2-5000112H75 A76 A77 F81 R82 D83H75-Q79 PolarHBondContact CE1-NE2 3.22Å; H75-Q79 VanDerWaalsContact CE1-NE2 3.29Å; H75-Q79 PolarHBondContact NE2-NE2 2.95Å; H75-Q79 WeakPolarHBondContact O-CG 3.49Å; H75-Q79 PolarHBondContact O-N 2.82Å; A76-Q79 PolarHBondContact O-N 3.18Å; A77-Q79 VanDerWaalsContact C-N 3.33Å; A77-Q79 PolarHBondContact O-N 3.39Å; Q79-F81 VanDerWaalsContact C-N 3.34Å; Q79-F81 PolarHBondContact O-N 2.85Å; Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.23Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 PolarHBondContact O-N 3.28Å
80I97.6Very high96.6Very high41 Ų4163.7 Ų63.721%0.2128%0.281CS..Hα-helixtrans-62.6-43.9178.4-54.3168.9000110.2V57 H60 I72 A76 A77 R82 D83 I84V57-I80 HydrophobicContact CB-CG2 4.49Å; V57-I80 HydrophobicContact CG1-CB 4.26Å; V57-I80 HydrophobicContact CG1-CG2 4.16Å; V57-I80 HydrophobicContact CG2-CG2 3.94Å; H60-I80 HydrophobicContact CB-CD1 4.28Å; H60-I80 HydrophobicContact CB-CG2 4.26Å; I72-I80 HydrophobicContact CD1-CD1 3.97Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 2.72Å; A77-I80 PolarHBondContact O-N 3.43Å; I80-R82 PolarHBondContact O-N 3.17Å; I80-D83 PolarHBondContact O-N 2.92Å; I80-I84 HydrophobicContact CG2-CD1 4.32Å; I80-I84 WeakPolarHBondContact O-CG1 3.14Å; I80-I84 PolarHBondContact O-N 2.91Å
81F98.2Very high96.6Very high0 Ų063.3 Ų63.30%028%0.283CS..Hα-helixtrans-58.8-46.2173.3-85.8-70.3000112.4V35 V41 I53 T54 V57 A77 A78 Q79 S85 L96 V98 I112V35-F81 HydrophobicContact CG1-CE2 4.49Å; V35-F81 HydrophobicContact CG1-CZ 4.13Å; V35-F81 HydrophobicContact CG2-CE2 4.43Å; V41-F81 HydrophobicContact CB-CE2 4.31Å; V41-F81 HydrophobicContact CB-CZ 4Å; V41-F81 HydrophobicContact CG1-CZ 3.93Å; V41-F81 HydrophobicContact CG2-CE1 4.18Å; V41-F81 HydrophobicContact CG2-CE2 4.42Å; V41-F81 HydrophobicContact CG2-CZ 4.03Å; I53-F81 HydrophobicContact CG2-CD1 3.71Å; I53-F81 HydrophobicContact CG2-CE1 3.98Å; T54-F81 HydrophobicContact CG2-CZ 4.48Å; V57-F81 HydrophobicContact CB-CD1 4.22Å; V57-F81 HydrophobicContact CB-CD2 4.35Å; V57-F81 HydrophobicContact CB-CE1 3.87Å; V57-F81 HydrophobicContact CB-CE2 4Å; V57-F81 HydrophobicContact CB-CG 4.45Å; V57-F81 HydrophobicContact CB-CZ 3.73Å; V57-F81 HydrophobicContact CG1-CD1 4.4Å; V57-F81 HydrophobicContact CG1-CD2 3.66Å; V57-F81 HydrophobicContact CG1-CE1 4.19Å; V57-F81 HydrophobicContact CG1-CE2 3.4Å; V57-F81 VanDerWaalsContact CG1-CE2 3.4Å; V57-F81 HydrophobicContact CG1-CG 4.16Å; V57-F81 HydrophobicContact CG1-CZ 3.69Å; V57-F81 HydrophobicContact CG2-CD1 3.67Å; V57-F81 HydrophobicContact CG2-CD2 4.31Å; V57-F81 HydrophobicContact CG2-CE1 3.76Å; V57-F81 HydrophobicContact CG2-CE2 4.39Å; V57-F81 HydrophobicContact CG2-CG 3.96Å; V57-F81 HydrophobicContact CG2-CZ 4.12Å; A77-F81 WeakPolarHBondContact O-CD2 3.06Å; A77-F81 PolarHBondContact O-N 2.82Å; A78-F81 PolarHBondContact O-N 2.92Å; Q79-F81 VanDerWaalsContact C-N 3.34Å; Q79-F81 PolarHBondContact O-N 2.85Å; F81-S85 VanDerWaalsContact O-CB 3.3Å; F81-S85 WeakPolarHBondContact O-CB 3.31Å; F81-S85 PolarHBondContact O-N 2.92Å; F81-S85 PolarHBondContact O-OG 2.9Å; F81-L96 HydrophobicContact CB-CD1 4.48Å; F81-L96 HydrophobicContact CD1-CD1 3.59Å; F81-L96 HydrophobicContact CE1-CD1 4.2Å; F81-L96 HydrophobicContact CG-CD1 4.37Å; F81-V98 HydrophobicContact CB-CG2 4.05Å; F81-V98 HydrophobicContact CD2-CG1 4.33Å; F81-V98 HydrophobicContact CD2-CG2 3.43Å; F81-V98 VanDerWaalsContact CD2-CG2 3.43Å; F81-V98 HydrophobicContact CE2-CG2 4.02Å; F81-V98 HydrophobicContact CG-CG2 3.82Å; F81-I112 HydrophobicContact CB-CD1 3.58Å
82R97.2Very high96.5Very high84 Ų8458.4 Ų58.432%0.31727%0.268SS..Hα-helixtrans-58.9-48.5178.2-175.3-156.977.4177.1-1.6110.9A78 Q79 I80 I84 S85 Y86 I112 G116 I118A78-R82 WeakPolarHBondContact O-CB 3.21Å; A78-R82 PolarHBondContact O-N 3.44Å; Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.23Å; I80-R82 PolarHBondContact O-N 3.17Å; R82-I84 PolarHBondContact O-N 3.33Å; R82-S85 PolarHBondContact O-N 3.3Å; R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.45Å; R82-Y86 PolarHBondContact O-N 2.84Å; R82-I112 HydrophobicContact CB-CD1 4.31Å; R82-G116 WeakPolarHBondContact CG-O 3.32Å; R82-I118 HydrophobicContact CB-CB 4.45Å; R82-I118 VanDerWaalsContact CD-CG2 3.48Å; R82-I118 HydrophobicContact CG-CB 4.02Å; R82-I118 HydrophobicContact CG-CG2 4.26Å
83D96.9Very high96.4Very high72 Ų7261.6 Ų61.639%0.38529%0.288SS..Hα-helixtrans-63.7-42.3-173.9-70.4-13000112Q79 I80 R87Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 PolarHBondContact O-N 3.28Å; I80-D83 PolarHBondContact O-N 2.92Å; D83-R87 WeakPolarHBondContact O-CB 3.31Å; D83-R87 PolarHBondContact O-N 2.91Å
84I96.4Very high96.4Very high26 Ų2660.8 Ų60.813%0.13328%0.283CS..Hα-helixtrans-65.7-48.4173.8-62.9170.3000110.2I53 I56 V57 I80 R82 Y86 R87 Y88I53-I84 HydrophobicContact CG1-CG2 4.04Å; I53-I84 HydrophobicContact CG2-CB 4.45Å; I53-I84 HydrophobicContact CG2-CG2 4.11Å; I56-I84 HydrophobicContact CB-CD1 4.46Å; I56-I84 HydrophobicContact CG2-CD1 3.72Å; V57-I84 HydrophobicContact CG2-CD1 3.62Å; I80-I84 HydrophobicContact CG2-CD1 4.32Å; I80-I84 WeakPolarHBondContact O-CG1 3.14Å; I80-I84 PolarHBondContact O-N 2.91Å; R82-I84 PolarHBondContact O-N 3.33Å; I84-Y86 VanDerWaalsContact C-N 3.31Å; I84-Y86 PolarHBondContact O-N 3.28Å; I84-R87 PolarHBondContact O-N 2.93Å; I84-Y88 HydrophobicContact CG2-CD2 4.02Å; I84-Y88 HydrophobicContact CG2-CE2 4.44Å; I84-Y88 WeakPolarHBondContact O-CD2 3.46Å; I84-Y88 PolarHBondContact O-N 2.81Å; I84-Y88 VanDerWaalsContact O-N 3.08Å
85S95.6Very high96.3Very high6 Ų661.1 Ų61.14%0.04229%0.287CS..Hα-helixtrans-64.2-35.3-176.8-53.90000112.6F81 R82 R89F81-S85 VanDerWaalsContact O-CB 3.3Å; F81-S85 WeakPolarHBondContact O-CB 3.31Å; F81-S85 PolarHBondContact O-N 2.92Å; F81-S85 PolarHBondContact O-OG 2.9Å; R82-S85 PolarHBondContact O-N 3.3Å; S85-R89 VanDerWaalsContact O-CA 3.3Å; S85-R89 WeakPolarHBondContact O-CA 3.1Å; S85-R89 WeakPolarHBondContact O-CB 3.19Å; S85-R89 PolarHBondContact O-N 2.91Å
86Y95.7Very high96.3Very high130 Ų13058.1 Ų58.151%0.5127%0.273SS..Hα-helixtrans-75.5-41.9177.4-175.6-96.9000111.6R82 I84 Y88 R89 G115R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.45Å; R82-Y86 PolarHBondContact O-N 2.84Å; I84-Y86 VanDerWaalsContact C-N 3.31Å; I84-Y86 PolarHBondContact O-N 3.28Å; Y86-Y88 VanDerWaalsContact C-N 3.34Å; Y86-Y88 PolarHBondContact O-N 3.15Å; Y86-R89 VanDerWaalsContact CE2-NH1 3.29Å; Y86-R89 WeakPolarHBondContact O-CB 3.47Å; Y86-R89 WeakPolarHBondContact O-CD 3.47Å; Y86-R89 WeakPolarHBondContact O-CG 3.24Å; Y86-R89 PolarHBondContact O-N 3.43Å; Y86-R89 PolarHBondContact OH-NH1 2.83Å; Y86-G115 WeakPolarHBondContact CD2-O 3.29Å
87R96.2Very high96.4Very high185 Ų18557 Ų5770%0.69826%0.264SS*.Hα-helixtrans-62.2-41.1179.9179.9175.8-63.6178.81.6112.4D83 I84D83-R87 WeakPolarHBondContact O-CB 3.31Å; D83-R87 PolarHBondContact O-N 2.91Å; I84-R87 PolarHBondContact O-N 2.93Å
88Y94.9Very high96.4Very high108 Ų10857 Ų5742%0.42426%0.264SS..THydrogen-bonded Turntrans-106.827.6-177.9-60-78.5000112I84 Y86 D90 D91 L92I84-Y88 HydrophobicContact CG2-CD2 4.02Å; I84-Y88 HydrophobicContact CG2-CE2 4.44Å; I84-Y88 WeakPolarHBondContact O-CD2 3.46Å; I84-Y88 PolarHBondContact O-N 2.81Å; I84-Y88 VanDerWaalsContact O-N 3.08Å; Y86-Y88 VanDerWaalsContact C-N 3.34Å; Y86-Y88 PolarHBondContact O-N 3.15Å; Y88-D90 PolarHBondContact O-N 2.82Å; Y88-D91 PolarHBondContact O-N 3.31Å; Y88-L92 VanDerWaalsContact CB-CD1 3.47Å; Y88-L92 HydrophobicContact CD2-CD1 4.49Å; Y88-L92 HydrophobicContact CG-CD1 4.22Å; Y88-L92 WeakPolarHBondContact O-CB 3.48Å; Y88-L92 PolarHBondContact O-N 3.06Å
89R93.2Very high96.4Very high109 Ų10957 Ų5741%0.41126%0.264SS..THydrogen-bonded Turntrans-62-25.4-174.169.8-175.1-174.5-173.1-0.9114.4S85 Y86S85-R89 VanDerWaalsContact O-CA 3.3Å; S85-R89 WeakPolarHBondContact O-CA 3.1Å; S85-R89 WeakPolarHBondContact O-CB 3.19Å; S85-R89 PolarHBondContact O-N 2.91Å; Y86-R89 VanDerWaalsContact CE2-NH1 3.29Å; Y86-R89 WeakPolarHBondContact O-CB 3.47Å; Y86-R89 WeakPolarHBondContact O-CD 3.47Å; Y86-R89 WeakPolarHBondContact O-CG 3.24Å; Y86-R89 PolarHBondContact O-N 3.43Å; Y86-R89 PolarHBondContact OH-NH1 2.83Å
90D94Very high96.4Very high138 Ų13855.2 Ų55.274%0.73826%0.255SS*.THydrogen-bonded Turntrans-88.6-14.2-179.4-59-46.2000111.6Y88Y88-D90 PolarHBondContact O-N 2.82Å
91D94.2Very high96.5Very high127 Ų12756.3 Ų56.368%0.67926%0.257SS*.THydrogen-bonded Turntrans-108.6-24.7-179.1-58.1-55.4000113.1Y88Y88-D91 PolarHBondContact O-N 3.31Å
92L93.5Very high96.4Very high43 Ų4356.8 Ų56.823%0.22526%0.26CS..  trans-115.5134.4-173.6-57.1179.4000111.9D49 I53 Y88D49-L92 HydrophobicContact CB-CB 4.32Å; D49-L92 HydrophobicContact CB-CD2 3.96Å; D49-L92 WeakPolarHBondContact OD2-CA 3.15Å; I53-L92 HydrophobicContact CD1-CD1 3.72Å; I53-L92 HydrophobicContact CG1-CD1 3.88Å; Y88-L92 VanDerWaalsContact CB-CD1 3.47Å; Y88-L92 HydrophobicContact CD2-CD1 4.49Å; Y88-L92 HydrophobicContact CG-CD1 4.22Å; Y88-L92 WeakPolarHBondContact O-CB 3.48Å; Y88-L92 PolarHBondContact O-N 3.06Å
93T95.4Very high96.4Very high73 Ų7364 Ų6445%0.44829%0.287SS..  trans-102.785.5169.9-56.90000109.9S46 D49 I114S46-T93 PolarHBondContact N-O 2.91Å; D49-T93 PolarHBondContact OD2-N 2.83Å; T93-I114 HydrophobicContact CG2-CD1 3.99Å
94A96.3Very high96.3Very high5 Ų567.7 Ų67.74%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-127.7117.2-177.700000112.2T50 I53 L96T50-A94 HydrophobicContact CG2-CB 3.77Å; I53-A94 HydrophobicContact CD1-CB 3.55Å; A94-L96 HydrophobicContact CB-CG 4.45Å
95G96.9Very high96.3Very high8 Ų872.3 Ų72.38%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-106.5118.8164.800000109.5S44S44-G95 PolarHBondContact N-O 3.03Å; S44-G95 PolarHBondContact O-N 3.42Å; S44-G95 VanDerWaalsContact O-O 3.13Å; S44-G95 PolarHBondContact OG-O 3.03Å
96L98.4Very high96.4Very high2 Ų272.9 Ų72.91%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-124.2145.1-172.2-56.9170.5000111.1V41 L42 R43 T50 I53 F81 A94 I112V41-L96 HydrophobicContact CG2-CB 4.17Å; V41-L96 HydrophobicContact CG2-CD2 4.03Å; L42-L96 WeakPolarHBondContact O-CA 3.42Å; R43-L96 HydrophobicContact CB-CD2 4.44Å; R43-L96 HydrophobicContact CG-CD2 4.01Å; T50-L96 HydrophobicContact CG2-CD2 3.95Å; I53-L96 HydrophobicContact CG2-CD1 4.27Å; F81-L96 HydrophobicContact CB-CD1 4.48Å; F81-L96 HydrophobicContact CD1-CD1 3.59Å; F81-L96 HydrophobicContact CE1-CD1 4.2Å; F81-L96 HydrophobicContact CG-CD1 4.37Å; A94-L96 HydrophobicContact CB-CG 4.45Å; L96-I112 HydrophobicContact CB-CB 4.23Å; L96-I112 PolarHBondContact N-O 3.17Å; L96-I112 CarbonylContact O-C 3.58Å; L96-I112 WeakPolarHBondContact O-CA 3.49Å; L96-I112 PolarHBondContact O-N 3.04Å
97I98.6Very high96.5Very high2 Ų267.8 Ų67.81%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-122.8111.9165.9-60.7164.1000107.1M1 A3 V41 L42 I109 Y110 T124M1-I97 HydrophobicContact CB-CD1 4.04Å; M1-I97 HydrophobicContact CE-CD1 4.03Å; M1-I97 HydrophobicContact CE-CG1 4.25Å; A3-I97 HydrophobicContact CB-CG2 3.79Å; V41-I97 CarbonylContact C-O 3.54Å; V41-I97 VanDerWaalsContact CA-O 3.31Å; V41-I97 WeakPolarHBondContact CA-O 3.37Å; L42-I97 HydrophobicContact CB-CB 4.06Å; L42-I97 HydrophobicContact CD1-CB 4.11Å; L42-I97 HydrophobicContact CD1-CD1 4.05Å; L42-I97 HydrophobicContact CD1-CG2 4.3Å; L42-I97 HydrophobicContact CG-CB 4.16Å; L42-I97 PolarHBondContact N-O 3.4Å; L42-I97 PolarHBondContact O-N 3.18Å; I97-I109 HydrophobicContact CG2-CG2 3.76Å; I97-Y110 WeakPolarHBondContact CA-O 3.25Å; I97-T124 HydrophobicContact CB-CG2 4.34Å; I97-T124 HydrophobicContact CD1-CG2 3.69Å; I97-T124 HydrophobicContact CG1-CG2 3.78Å; I97-T124 HydrophobicContact CG2-CG2 3.6Å
98V98.7Very high96.6Very high0 Ų059 Ų590%028%0.28CS..EExtended strand (participates in β ladder)trans-94.5127.1176.2-176.50000107.9I39 V41 A78 F81 Y110 I112I39-V98 HydrophobicContact CG2-CG1 4.03Å; V41-V98 HydrophobicContact CG2-CG2 4.11Å; A78-V98 HydrophobicContact CB-CB 4.02Å; A78-V98 HydrophobicContact CB-CG1 3.95Å; A78-V98 HydrophobicContact CB-CG2 4.43Å; F81-V98 HydrophobicContact CB-CG2 4.05Å; F81-V98 HydrophobicContact CD2-CG1 4.33Å; F81-V98 HydrophobicContact CD2-CG2 3.43Å; F81-V98 VanDerWaalsContact CD2-CG2 3.43Å; F81-V98 HydrophobicContact CE2-CG2 4.02Å; F81-V98 HydrophobicContact CG-CG2 3.82Å; V98-Y110 PolarHBondContact N-O 3.03Å; V98-Y110 PolarHBondContact O-N 3.05Å; V98-I112 HydrophobicContact CG2-CD1 3.95Å
99C98.5Very high96.8Very high0 Ų053.9 Ų53.90%026%0.259CS..EExtended strand (participates in β ladder)trans-146.1154-176.958.90000110.8V10 V12 I39 G40 Q108 I109V10-C99 HydrophobicContact CG1-CB 4.02Å; V12-C99 HydrophobicContact CG1-CB 4.39Å; V12-C99 WeakPolarHBondContact CG1-SG 3.14Å; I39-C99 WeakPolarHBondContact CA-O 3.3Å; G40-C99 PolarHBondContact N-O 3.04Å; G40-C99 PolarHBondContact O-N 3.23Å; G40-C99 PolarHBondContact O-SG 3.4Å; G40-C99 VanDerWaalsContact O-SG 3.4Å; C99-Q108 VanDerWaalsContact CA-O 3.27Å; C99-Q108 WeakPolarHBondContact CA-O 3.47Å; C99-I109 HydrophobicContact CB-CG1 4.11Å
100G98.4Very high97.1Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans177.4-169-179.300000113.4Y38 V74 A107 Q108Y38-G100 CarbonylContact O-C 3.54Å; Y38-G100 WeakPolarHBondContact O-CA 3.36Å; V74-G100 VanDerWaalsContact CG2-C 3.49Å; G100-A107 WeakPolarHBondContact O-CA 3.47Å; G100-Q108 PolarHBondContact N-O 3.45Å; G100-Q108 PolarHBondContact O-N 3.45Å
101W98.5Very high97.3Very high64 Ų6443 Ų4324%0.24221%0.21CC..EExtended strand (participates in β ladder)trans-130.3135.4173-173.998.8000108.9Y38 R103 G106Y38-W101 WeakPolarHBondContact CB-O 3.46Å; Y38-W101 PolarHBondContact O-N 2.88Å; W101-R103 HydrophobicContact CH2-CB 4.38Å; W101-R103 HydrophobicContact CZ3-CB 4.48Å; W101-G106 WeakPolarHBondContact CA-O 3.2Å
102D97.6Very high97.4Very high11 Ų1137 Ų376%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-133.6164.9167.369.253.9000111.3T73 V74 Q104 K105 G106 Q108T73-D102 WeakPolarHBondContact CB-OD2 3.32Å; V74-D102 HydrophobicContact CG2-CB 4.12Å; V74-D102 WeakPolarHBondContact CG2-OD2 3.49Å; V74-D102 PolarHBondContact N-OD2 3.07Å; D102-Q104 VanDerWaalsContact C-N 3.25Å; D102-Q104 PolarHBondContact O-N 3.39Å; D102-Q104 WeakPolarHBondContact OD1-CA 3.03Å; D102-Q104 WeakPolarHBondContact OD1-CB 3.39Å; D102-Q104 PolarHBondContact OD1-N 2.82Å; D102-K105 PolarHBondContact OD1-N 2.86Å; D102-G106 PolarHBondContact N-O 3.42Å; D102-G106 WeakPolarHBondContact O-CA 3.4Å; D102-G106 PolarHBondContact O-N 3.08Å; D102-Q108 VanDerWaalsContact CG-NE2 3.27Å; D102-Q108 PolarHBondContact OD2-NE2 3.16Å
103R95.7Very high97.5Very high235 Ų23537.1 Ų37.189%0.88718%0.181SC*.THydrogen-bonded Turntrans-68.5-22.8-176-173.9176.9174.1-172.8-1.3113.4W101W101-R103 HydrophobicContact CH2-CB 4.38Å; W101-R103 HydrophobicContact CZ3-CB 4.48Å
104Q96.1Very high97.4Very high149 Ų14938.8 Ų38.870%0.69619%0.186SC*.THydrogen-bonded Turntrans-85-43.8-173-61.8-178.38.300111.8D102D102-Q104 VanDerWaalsContact C-N 3.25Å; D102-Q104 PolarHBondContact O-N 3.39Å; D102-Q104 WeakPolarHBondContact OD1-CA 3.03Å; D102-Q104 WeakPolarHBondContact OD1-CB 3.39Å; D102-Q104 PolarHBondContact OD1-N 2.82Å
105K96.7Very high97.1Very high124 Ų12440.1 Ų40.154%0.53920%0.2SC..THydrogen-bonded Turntrans-122.9-3.2-173.1-70.9-179.1179.2-177.70113.6D102 Q108D102-K105 PolarHBondContact OD1-N 2.86Å; K105-Q108 VanDerWaalsContact CB-CD 3.46Å; K105-Q108 HydrophobicContact CB-CG 4.16Å
106G97.1Very high96.8Very high17 Ų1739.7 Ų39.718%0.17520%0.196CC..EExtended strand (participates in β ladder)trans68-141.4-17800000112.2W101 D102 Q108W101-G106 WeakPolarHBondContact CA-O 3.2Å; D102-G106 PolarHBondContact N-O 3.42Å; D102-G106 WeakPolarHBondContact O-CA 3.4Å; D102-G106 PolarHBondContact O-N 3.08Å; G106-Q108 PolarHBondContact O-N 3.44Å; G106-Q108 PolarHBondContact O-NE2 2.9Å
107A98Very high96.6Very high24 Ų2444.5 Ų44.520%0.19822%0.22CC..EExtended strand (participates in β ladder)trans-66.1127.6-17800000111.7Q5 G9 V10 G100Q5-A107 HydrophobicContact CG-CB 4.44Å; Q5-A107 PolarHBondContact NE2-O 2.94Å; G9-A107 WeakPolarHBondContact O-CB 3.46Å; V10-A107 HydrophobicContact CG2-CB 3.92Å; G100-A107 WeakPolarHBondContact O-CA 3.47Å
108Q98.4Very high96.6Very high1 Ų146.2 Ų46.21%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-141.6144.2-177.5-71.816094.300111V74 C99 G100 D102 K105 G106 Y110V74-Q108 HydrophobicContact CB-CB 4.02Å; V74-Q108 HydrophobicContact CG1-CB 3.92Å; V74-Q108 HydrophobicContact CG2-CB 4.36Å; C99-Q108 VanDerWaalsContact CA-O 3.27Å; C99-Q108 WeakPolarHBondContact CA-O 3.47Å; G100-Q108 PolarHBondContact N-O 3.45Å; G100-Q108 PolarHBondContact O-N 3.45Å; D102-Q108 VanDerWaalsContact CG-NE2 3.27Å; D102-Q108 PolarHBondContact OD2-NE2 3.16Å; K105-Q108 VanDerWaalsContact CB-CD 3.46Å; K105-Q108 HydrophobicContact CB-CG 4.16Å; G106-Q108 PolarHBondContact O-N 3.44Å; G106-Q108 PolarHBondContact O-NE2 2.9Å; Q108-Y110 HydrophobicContact CB-CD2 4.48Å; Q108-Y110 HydrophobicContact CB-CE2 3.85Å; Q108-Y110 HydrophobicContact CG-CE2 4.43Å; Q108-Y110 PolarHBondContact OE1-OH 3.3Å; Q108-Y110 VanDerWaalsContact OE1-OH 3.14Å
109I98.7Very high96.5Very high0 Ų049.7 Ų49.70%025%0.247CC..EExtended strand (participates in β ladder)trans-132.9129.3174.6-55.9171.3000108.1A3 Q5 V10 I97 C99 Q120 Q121 S122 T124A3-I109 HydrophobicContact CB-CD1 3.86Å; A3-I109 HydrophobicContact CB-CG1 4.32Å; A3-I109 HydrophobicContact CB-CG2 3.87Å; Q5-I109 HydrophobicContact CG-CD1 3.78Å; Q5-I109 HydrophobicContact CG-CG1 4.12Å; V10-I109 HydrophobicContact CG1-CD1 3.81Å; V10-I109 HydrophobicContact CG1-CG1 3.79Å; V10-I109 HydrophobicContact CG2-CD1 4.44Å; V10-I109 HydrophobicContact CG2-CG1 3.94Å; I97-I109 HydrophobicContact CG2-CG2 3.76Å; C99-I109 HydrophobicContact CB-CG1 4.11Å; I109-Q120 WeakPolarHBondContact O-CA 3.42Å; I109-Q121 WeakPolarHBondContact CB-O 3.23Å; I109-Q121 PolarHBondContact O-N 3.4Å; I109-S122 WeakPolarHBondContact CD1-O 3.42Å; I109-T124 HydrophobicContact CG2-CG2 3.62Å
110Y98.6Very high96.5Very high5 Ų555 Ų552%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-123.6114.9176.8-66.4-76.9000109.1V74 H75 A78 I97 V98 Q108 I118 L119 Q120V74-Y110 HydrophobicContact CB-CE2 4.43Å; V74-Y110 HydrophobicContact CG1-CD2 4.07Å; V74-Y110 HydrophobicContact CG1-CE2 4.09Å; H75-Y110 HydrophobicContact CB-CE2 4.14Å; H75-Y110 AromaticContact ND1-CE1 3.61Å; H75-Y110 AromaticContact ND1-CZ 3.41Å; H75-Y110 PolarHBondContact ND1-OH 2.69Å; H75-Y110 VanDerWaalsContact ND1-OH 3.14Å; A78-Y110 HydrophobicContact CB-CD2 3.65Å; A78-Y110 HydrophobicContact CB-CE2 4.42Å; A78-Y110 HydrophobicContact CB-CG 3.7Å; I97-Y110 WeakPolarHBondContact CA-O 3.25Å; V98-Y110 PolarHBondContact N-O 3.03Å; V98-Y110 PolarHBondContact O-N 3.05Å; Q108-Y110 HydrophobicContact CB-CD2 4.48Å; Q108-Y110 HydrophobicContact CB-CE2 3.85Å; Q108-Y110 HydrophobicContact CG-CE2 4.43Å; Q108-Y110 PolarHBondContact OE1-OH 3.3Å; Q108-Y110 VanDerWaalsContact OE1-OH 3.14Å; Y110-I118 HydrophobicContact CD1-CD1 3.81Å; Y110-I118 HydrophobicContact CD1-CG1 3.95Å; Y110-I118 HydrophobicContact CG-CD1 4.1Å; Y110-I118 HydrophobicContact CG-CG1 4.42Å; Y110-L119 CarbonylContact C-O 3.55Å; Y110-L119 WeakPolarHBondContact CA-O 3.35Å; Y110-Q120 HydrophobicContact CD1-CB 3.96Å; Y110-Q120 HydrophobicContact CD1-CG 4.32Å; Y110-Q120 HydrophobicContact CE1-CB 3.7Å; Y110-Q120 HydrophobicContact CE1-CG 3.86Å; Y110-Q120 PolarHBondContact OH-OE1 3.22Å
111S98.1Very high96.4Very high14 Ų1458.9 Ų58.910%0.09829%0.29CS..EExtended strand (participates in β ladder)trans-84.3130.7171.8-167.60000109.5I118 L119 T124S111-I118 WeakPolarHBondContact O-CA 3.3Å; S111-L119 PolarHBondContact N-O 3.49Å; S111-L119 PolarHBondContact O-N 3.44Å; S111-T124 WeakPolarHBondContact CB-OG1 3.49Å; S111-T124 PolarHBondContact OG-OG1 3.01Å
112I97.8Very high96.3Very high0 Ų058.5 Ų58.50%030%0.297CS..EExtended strand (participates in β ladder)trans-124.687.3174.7-56172.3000107.1F81 R82 L96 V98 M117 I118F81-I112 HydrophobicContact CB-CD1 3.58Å; R82-I112 HydrophobicContact CB-CD1 4.31Å; L96-I112 HydrophobicContact CB-CB 4.23Å; L96-I112 PolarHBondContact N-O 3.17Å; L96-I112 CarbonylContact O-C 3.58Å; L96-I112 WeakPolarHBondContact O-CA 3.49Å; L96-I112 PolarHBondContact O-N 3.04Å; V98-I112 HydrophobicContact CG2-CD1 3.95Å; I112-M117 VanDerWaalsContact CA-O 3.32Å; I112-M117 WeakPolarHBondContact CA-O 3.5Å; I112-M117 WeakPolarHBondContact CG2-O 3.36Å; I112-I118 HydrophobicContact CG1-CG1 4.26Å
113P95.3Very high96.3Very high46 Ų4660 Ų6030%0.29930%0.302SS..  trans-62167.3174.8-20.833.1000112.2G115 G116 M117P113-G115 PolarHBondContact O-N 3.22Å; P113-G116 PolarHBondContact O-N 3Å; P113-M117 HydrophobicContact CG-CG 4.02Å; P113-M117 HydrophobicContact CG-SD 4.34Å
114I93.2Very high96.4Very high108 Ų10849.1 Ų49.155%0.55426%0.261SS*.THydrogen-bonded Turntrans-53.8131.1167.9-61.6170.1000108.2T93T93-I114 HydrophobicContact CG2-CD1 3.99Å
115G90.9Very high96.5Very high32 Ų3242.4 Ų42.433%0.3323%0.23SC..THydrogen-bonded Turntrans105.6-14.4-171.300000114.3Y86 P113Y86-G115 WeakPolarHBondContact CD2-O 3.29Å; P113-G115 PolarHBondContact O-N 3.22Å
116G90.3Very high96.5Very high0 Ų037.1 Ų37.10%021%0.211CC..  trans80.416.716800000115.9R82 P113R82-G116 WeakPolarHBondContact CG-O 3.32Å; P113-G116 PolarHBondContact O-N 3Å
117M94.4Very high96.4Very high103 Ų10337.7 Ų37.751%0.50722%0.217SC..  trans-69.4162.6167.268.6-175.1-67.400111I112 P113 L119I112-M117 VanDerWaalsContact CA-O 3.32Å; I112-M117 WeakPolarHBondContact CA-O 3.5Å; I112-M117 WeakPolarHBondContact CG2-O 3.36Å; P113-M117 HydrophobicContact CG-CG 4.02Å; P113-M117 HydrophobicContact CG-SD 4.34Å; M117-L119 HydrophobicContact CE-CD1 3.71Å; M117-L119 HydrophobicContact CE-CD2 3.97Å; M117-L119 HydrophobicContact CE-CG 3.82Å
118I97Very high96.2Very high38 Ų3839.5 Ų39.520%0.19523%0.228CC..  trans-126.3133.2176.4-169.5166.8000111.1A78 R82 Y110 S111 I112A78-I118 HydrophobicContact CB-CD1 3.75Å; R82-I118 HydrophobicContact CB-CB 4.45Å; R82-I118 VanDerWaalsContact CD-CG2 3.48Å; R82-I118 HydrophobicContact CG-CB 4.02Å; R82-I118 HydrophobicContact CG-CG2 4.26Å; Y110-I118 HydrophobicContact CD1-CD1 3.81Å; Y110-I118 HydrophobicContact CD1-CG1 3.95Å; Y110-I118 HydrophobicContact CG-CD1 4.1Å; Y110-I118 HydrophobicContact CG-CG1 4.42Å; S111-I118 WeakPolarHBondContact O-CA 3.3Å; I112-I118 HydrophobicContact CG1-CG1 4.26Å
119L97.5Very high96.1Very high73 Ų7339.7 Ų39.738%0.38223%0.231SC..EExtended strand (participates in β ladder)trans-132.9128.8176.3-65.3172.5000110.2Y110 S111 M117Y110-L119 CarbonylContact C-O 3.55Å; Y110-L119 WeakPolarHBondContact CA-O 3.35Å; S111-L119 PolarHBondContact N-O 3.49Å; S111-L119 PolarHBondContact O-N 3.44Å; M117-L119 HydrophobicContact CE-CD1 3.71Å; M117-L119 HydrophobicContact CE-CD2 3.97Å; M117-L119 HydrophobicContact CE-CG 3.82Å
120Q98Very high95.9Very high112 Ų11240.3 Ų40.352%0.52324%0.235SC..EExtended strand (participates in β ladder)trans-86.4131.8170.6-172171.5-10.400109.7I109 Y110I109-Q120 WeakPolarHBondContact O-CA 3.42Å; Y110-Q120 HydrophobicContact CD1-CB 3.96Å; Y110-Q120 HydrophobicContact CD1-CG 4.32Å; Y110-Q120 HydrophobicContact CE1-CB 3.7Å; Y110-Q120 HydrophobicContact CE1-CG 3.86Å; Y110-Q120 PolarHBondContact OH-OE1 3.22Å
121Q96.9Very high95.8Very high80 Ų8047 Ų4737%0.37427%0.268SS..  trans-143.3154.4179.4-60.2-172.3-41.600110.9I109 W123 T124I109-Q121 WeakPolarHBondContact CB-O 3.23Å; I109-Q121 PolarHBondContact O-N 3.4Å; Q121-W123 VanDerWaalsContact C-N 3.31Å; Q121-W123 WeakPolarHBondContact CB-O 3.33Å; Q121-W123 PolarHBondContact OE1-O 3.36Å; Q121-T124 PolarHBondContact OE1-OG1 3.32Å
122S96.5Very high95.7Very high56 Ų5652.3 Ų52.339%0.39229%0.287SS..SBendtrans-74.1-25.7173.2-57.70000112.7Q5 I109 Y141Q5-S122 WeakPolarHBondContact CB-O 3.34Å; Q5-S122 WeakPolarHBondContact CG-O 3.49Å; Q5-S122 PolarHBondContact N-O 2.78Å; I109-S122 WeakPolarHBondContact CD1-O 3.42Å; S122-Y141 VanDerWaalsContact CB-OH 3.24Å; S122-Y141 WeakPolarHBondContact CB-OH 3.45Å
123W97.6Very high95.7Very high44 Ų4452.3 Ų52.317%0.16729%0.287CS..EExtended strand (participates in β ladder)trans-146.3154.1166.664.5-92.3000108.6A3 C4 Q121 V125 Y134 L137 D138 Y141A3-W123 CarbonylContact O-C 3.58Å; A3-W123 WeakPolarHBondContact O-CA 3.39Å; A3-W123 WeakPolarHBondContact O-CB 3.31Å; C4-W123 HydrophobicContact CB-CB 4.18Å; Q121-W123 VanDerWaalsContact C-N 3.31Å; Q121-W123 WeakPolarHBondContact CB-O 3.33Å; Q121-W123 PolarHBondContact OE1-O 3.36Å; W123-V125 HydrophobicContact CZ3-CG1 4.25Å; W123-Y134 HydrophobicContact CH2-CD1 4.42Å; W123-L137 HydrophobicContact CE3-CB 4.1Å; W123-L137 HydrophobicContact CE3-CD1 3.99Å; W123-L137 HydrophobicContact CH2-CB 3.88Å; W123-L137 HydrophobicContact CZ2-CB 4.4Å; W123-L137 HydrophobicContact CZ3-CB 3.71Å; W123-L137 HydrophobicContact CZ3-CD1 3.67Å; W123-L137 HydrophobicContact CZ3-CG 4.3Å; W123-D138 WeakPolarHBondContact CH2-OD1 3.25Å; W123-D138 WeakPolarHBondContact CZ2-OD1 3.46Å; W123-Y141 HydrophobicContact CB-CD2 4.22Å; W123-Y141 HydrophobicContact CB-CE2 4.25Å; W123-Y141 AromaticContact CD1-CD1 3.53Å; W123-Y141 AromaticContact CD1-CD2 3.42Å; W123-Y141 VanDerWaalsContact CD1-CD2 3.42Å; W123-Y141 AromaticContact CD1-CE1 3.74Å; W123-Y141 AromaticContact CD1-CE2 3.64Å; W123-Y141 AromaticContact CD1-CG 3.36Å; W123-Y141 AromaticContact CD1-CZ 3.79Å; W123-Y141 AromaticContact CG-CD2 3.98Å; W123-Y141 HydrophobicContact CG-CD2 3.98Å; W123-Y141 HydrophobicContact CG-CE2 4.27Å; W123-Y141 HydrophobicContact CG-CG 4.21Å; W123-Y141 AromaticContact NE1-CD1 3.63Å; W123-Y141 AromaticContact NE1-CG 3.64Å
124T97.8Very high95.7Very high5 Ų554.8 Ų54.83%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-151.6158.1175.6-1600000110.7A3 I97 I109 S111 Q121A3-T124 HydrophobicContact CB-CG2 4.33Å; A3-T124 PolarHBondContact N-O 2.88Å; A3-T124 PolarHBondContact O-N 3.29Å; I97-T124 HydrophobicContact CB-CG2 4.34Å; I97-T124 HydrophobicContact CD1-CG2 3.69Å; I97-T124 HydrophobicContact CG1-CG2 3.78Å; I97-T124 HydrophobicContact CG2-CG2 3.6Å; I109-T124 HydrophobicContact CG2-CG2 3.62Å; S111-T124 WeakPolarHBondContact CB-OG1 3.49Å; S111-T124 PolarHBondContact OG-OG1 3.01Å; Q121-T124 PolarHBondContact OE1-OG1 3.32Å
125V97.6Very high95.9Very high8 Ų852 Ų525%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-134.7144.4179.965.50000109.7M1 I2 W123 V133 Y134 L137M1-V125 CarbonylContact O-C 3.46Å; M1-V125 WeakPolarHBondContact O-CA 3.48Å; M1-V125 VanDerWaalsContact O-CG2 3.3Å; M1-V125 WeakPolarHBondContact O-CG2 3.49Å; I2-V125 HydrophobicContact CG1-CB 4.39Å; I2-V125 HydrophobicContact CG1-CG2 3.74Å; W123-V125 HydrophobicContact CZ3-CG1 4.25Å; V125-V133 HydrophobicContact CG2-CG2 3.74Å; V125-Y134 HydrophobicContact CG1-CD1 3.91Å; V125-Y134 HydrophobicContact CG1-CD2 4.4Å; V125-Y134 HydrophobicContact CG1-CE1 3.39Å; V125-Y134 HydrophobicContact CG1-CE2 3.95Å; V125-Y134 HydrophobicContact CG1-CG 4.38Å; V125-Y134 VanDerWaalsContact CG1-CZ 3.42Å; V125-L137 HydrophobicContact CB-CD1 3.7Å; V125-L137 HydrophobicContact CG1-CD1 3.96Å; V125-L137 HydrophobicContact CG2-CD1 4.03Å
126G95.9Very high96.2Very high13 Ų1352.6 Ų52.613%0.13428%0.281CS..  trans-153.3164.3-179.200000113.6M1M1-G126 PolarHBondContact N-O 2.83Å; M1-G126 PolarHBondContact O-N 2.91Å
127G95.4Very high96.5Very high29 Ų2952.6 Ų52.630%0.29928%0.282SS..SBendtrans85.7176.6-172.900000113.3G129 S130G127-G129 VanDerWaalsContact C-N 3.29Å; G127-G129 PolarHBondContact O-N 3.42Å; G127-S130 WeakPolarHBondContact O-CB 3.24Å; G127-S130 PolarHBondContact O-N 2.64Å; G127-S130 PolarHBondContact O-OG 3.46Å
128S95.1Very high96.6Very high63 Ų6352.4 Ų52.444%0.44128%0.283SS..G310 helixtrans-55.2-41.1-176.452.80000113.4S130 D165S128-S130 PolarHBondContact O-N 2.87Å; S128-S130 VanDerWaalsContact O-N 3.11Å; S128-D165 WeakPolarHBondContact CB-OD2 3.48Å; S128-D165 PolarHBondContact OG-OD2 2.84Å
129G95.8Very high96.6Very high5 Ų555.2 Ų55.25%0.05231%0.306CS..G310 helixtrans-65.2-13.2179.500000115.1G127 M131 Y132 D165G127-G129 VanDerWaalsContact C-N 3.29Å; G127-G129 PolarHBondContact O-N 3.42Å; G129-M131 VanDerWaalsContact C-N 3.34Å; G129-M131 PolarHBondContact O-N 3.32Å; G129-Y132 PolarHBondContact O-N 3.33Å; G129-D165 WeakPolarHBondContact CA-OD2 3.33Å; G129-D165 PolarHBondContact N-OD2 3.28Å
130S95.1Very high96.5Very high13 Ų1355.3 Ų55.39%0.09131%0.306CS..G310 helixtrans-60.7-40.2-178.661.80000113.2G127 S128 Y132 V133 Y134G127-S130 WeakPolarHBondContact O-CB 3.24Å; G127-S130 PolarHBondContact O-N 2.64Å; G127-S130 PolarHBondContact O-OG 3.46Å; S128-S130 PolarHBondContact O-N 2.87Å; S128-S130 VanDerWaalsContact O-N 3.11Å; S130-Y132 PolarHBondContact O-N 3.26Å; S130-Y132 VanDerWaalsContact O-N 3.07Å; S130-V133 WeakPolarHBondContact O-CG2 3.13Å; S130-V133 PolarHBondContact O-N 3.39Å; S130-V133 VanDerWaalsContact O-N 3.08Å; S130-Y134 WeakPolarHBondContact O-CD2 3.39Å; S130-Y134 PolarHBondContact O-N 3.02Å
131M94.7Very high96.5Very high146 Ų14652.5 Ų52.572%0.71929%0.291SS*.G310 helixtrans-58-28-176.4-66.4-62.3-71.700113.2G129G129-M131 VanDerWaalsContact C-N 3.34Å; G129-M131 PolarHBondContact O-N 3.32Å
132Y96.8Very high96.4Very high124 Ų12455.5 Ų55.549%0.48630%0.303SS..G310 helixtrans-89.4-7.6-175.7-56.7-81.5000113.9G129 S130 R164 D165G129-Y132 PolarHBondContact O-N 3.33Å; S130-Y132 PolarHBondContact O-N 3.26Å; S130-Y132 VanDerWaalsContact O-N 3.07Å; Y132-R164 HydrophobicContact CD1-CB 3.52Å; Y132-R164 HydrophobicContact CD1-CG 4.43Å; Y132-R164 HydrophobicContact CD2-CB 4.43Å; Y132-R164 HydrophobicContact CE1-CB 4.1Å; Y132-R164 HydrophobicContact CG-CB 3.68Å; Y132-D165 HydrophobicContact CD2-CB 3.68Å; Y132-D165 HydrophobicContact CE2-CB 3.5Å; Y132-D165 VanDerWaalsContact CE2-CB 3.5Å
133V97.2Very high96.3Very high0 Ų057.9 Ų57.90%032%0.32CS..THydrogen-bonded Turntrans-125.8-5.9-169.4-57.70000114.5V125 S130 G135 Y136 L137 A157 H160 A161V125-V133 HydrophobicContact CG2-CG2 3.74Å; S130-V133 WeakPolarHBondContact O-CG2 3.13Å; S130-V133 PolarHBondContact O-N 3.39Å; S130-V133 VanDerWaalsContact O-N 3.08Å; V133-G135 PolarHBondContact O-N 3.19Å; V133-Y136 PolarHBondContact O-N 3.1Å; V133-Y136 VanDerWaalsContact O-N 3.15Å; V133-L137 HydrophobicContact CG2-CD1 3.94Å; V133-L137 WeakPolarHBondContact O-CG 3.3Å; V133-L137 PolarHBondContact O-N 2.65Å; V133-A157 WeakPolarHBondContact CG1-O 3.49Å; V133-H160 HydrophobicContact CG1-CB 3.84Å; V133-A161 HydrophobicContact CG1-CB 3.84Å
134Y96.6Very high96Very high99 Ų9958.4 Ų58.439%0.38834%0.339SS..Hα-helixtrans-51-55.6175.7-84.4-74.9000112.2W123 V125 S130 Y136 L137 D138W123-Y134 HydrophobicContact CH2-CD1 4.42Å; V125-Y134 HydrophobicContact CG1-CD1 3.91Å; V125-Y134 HydrophobicContact CG1-CD2 4.4Å; V125-Y134 HydrophobicContact CG1-CE1 3.39Å; V125-Y134 HydrophobicContact CG1-CE2 3.95Å; V125-Y134 HydrophobicContact CG1-CG 4.38Å; V125-Y134 VanDerWaalsContact CG1-CZ 3.42Å; S130-Y134 WeakPolarHBondContact O-CD2 3.39Å; S130-Y134 PolarHBondContact O-N 3.02Å; Y134-Y136 VanDerWaalsContact C-N 3.25Å; Y134-Y136 PolarHBondContact O-N 2.92Å; Y134-L137 PolarHBondContact O-N 2.65Å; Y134-D138 WeakPolarHBondContact O-CB 3.5Å; Y134-D138 VanDerWaalsContact O-CG 3.28Å; Y134-D138 PolarHBondContact O-N 3.25Å
135G96.7Very high96Very high49 Ų4958.7 Ų58.751%0.50534%0.34SS..Hα-helixtrans-60.6-32-179.300000114.1V133 S139V133-G135 PolarHBondContact O-N 3.19Å; G135-S139 VanDerWaalsContact O-CB 3.31Å; G135-S139 WeakPolarHBondContact O-CB 3.16Å; G135-S139 PolarHBondContact O-N 2.98Å; G135-S139 PolarHBondContact O-OG 3.37Å
136Y96.6Very high96Very high44 Ų4460.3 Ų60.317%0.17335%0.352CS..Hα-helixtrans-68.7-48173171.2-91.9000111.2V133 Y134 S139 N140 F153 K156 A157 H160V133-Y136 PolarHBondContact O-N 3.1Å; V133-Y136 VanDerWaalsContact O-N 3.15Å; Y134-Y136 VanDerWaalsContact C-N 3.25Å; Y134-Y136 PolarHBondContact O-N 2.92Å; Y136-S139 PolarHBondContact O-N 2.86Å; Y136-N140 WeakPolarHBondContact CD2-ND2 3.49Å; Y136-N140 HydrophobicContact CE2-CB 4.3Å; Y136-N140 WeakPolarHBondContact O-CB 3.42Å; Y136-N140 PolarHBondContact O-N 3.41Å; Y136-N140 PolarHBondContact O-ND2 3.24Å; Y136-F153 HydrophobicContact CD1-CE2 4.29Å; Y136-F153 AromaticContact CE1-CD2 3.77Å; Y136-F153 HydrophobicContact CE1-CD2 3.77Å; Y136-F153 AromaticContact CE1-CE2 3.67Å; Y136-F153 HydrophobicContact CE1-CE2 3.67Å; Y136-K156 HydrophobicContact CE2-CD 4.14Å; Y136-K156 HydrophobicContact CE2-CG 4.15Å; Y136-K156 WeakPolarHBondContact OH-CB 3.48Å; Y136-K156 WeakPolarHBondContact OH-CD 3.28Å; Y136-A157 HydrophobicContact CD1-CB 3.83Å; Y136-A157 HydrophobicContact CE1-CB 3.71Å; Y136-H160 AromaticContact CD2-CD2 3.92Å; Y136-H160 AromaticContact CD2-NE2 3.92Å
137L97.4Very high96.1Very high1 Ų161.6 Ų61.61%0.00535%0.354CS..Hα-helixtrans-63-47.2-179.5-67.2171000110.8I2 W123 V125 V133 Y134 S139 N140 Y141 F153 A157I2-L137 HydrophobicContact CG2-CD2 4.25Å; W123-L137 HydrophobicContact CE3-CB 4.1Å; W123-L137 HydrophobicContact CE3-CD1 3.99Å; W123-L137 HydrophobicContact CH2-CB 3.88Å; W123-L137 HydrophobicContact CZ2-CB 4.4Å; W123-L137 HydrophobicContact CZ3-CB 3.71Å; W123-L137 HydrophobicContact CZ3-CD1 3.67Å; W123-L137 HydrophobicContact CZ3-CG 4.3Å; V125-L137 HydrophobicContact CB-CD1 3.7Å; V125-L137 HydrophobicContact CG1-CD1 3.96Å; V125-L137 HydrophobicContact CG2-CD1 4.03Å; V133-L137 HydrophobicContact CG2-CD1 3.94Å; V133-L137 WeakPolarHBondContact O-CG 3.3Å; V133-L137 PolarHBondContact O-N 2.65Å; Y134-L137 PolarHBondContact O-N 2.65Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.47Å; L137-N140 PolarHBondContact O-N 2.9Å; L137-Y141 WeakPolarHBondContact O-CB 3.36Å; L137-Y141 PolarHBondContact O-N 3.03Å; L137-F153 HydrophobicContact CB-CZ 4.3Å; L137-F153 HydrophobicContact CD2-CE1 3.74Å; L137-F153 HydrophobicContact CD2-CE2 3.97Å; L137-F153 HydrophobicContact CD2-CZ 3.3Å; L137-F153 HydrophobicContact CG-CZ 4.37Å; L137-A157 HydrophobicContact CD2-CB 3.72Å; L137-A157 HydrophobicContact CG-CB 4.48Å
138D96.1Very high96.2Very high99 Ų9966 Ų6653%0.52937%0.367SS..Hα-helixtrans-57.7-41.6178.2-69.6-28000111.9W123 Y134W123-D138 WeakPolarHBondContact CH2-OD1 3.25Å; W123-D138 WeakPolarHBondContact CZ2-OD1 3.46Å; Y134-D138 WeakPolarHBondContact O-CB 3.5Å; Y134-D138 VanDerWaalsContact O-CG 3.28Å; Y134-D138 PolarHBondContact O-N 3.25Å
139S96.6Very high96.3Very high97 Ų9768.2 Ų68.268%0.67837%0.37SS*.Hα-helixtrans-82.6-25-175.2-54.80000114G135 Y136 L137G135-S139 VanDerWaalsContact O-CB 3.31Å; G135-S139 WeakPolarHBondContact O-CB 3.16Å; G135-S139 PolarHBondContact O-N 2.98Å; G135-S139 PolarHBondContact O-OG 3.37Å; Y136-S139 PolarHBondContact O-N 2.86Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.47Å
140N96.3Very high96.4Very high74 Ų7468 Ų6840%0.39637%0.368SS..Hα-helixtrans-114.6-11.7-170.2-65.6-92.2000113.7Y136 L137 K142 F153Y136-N140 WeakPolarHBondContact CD2-ND2 3.49Å; Y136-N140 HydrophobicContact CE2-CB 4.3Å; Y136-N140 WeakPolarHBondContact O-CB 3.42Å; Y136-N140 PolarHBondContact O-N 3.41Å; Y136-N140 PolarHBondContact O-ND2 3.24Å; L137-N140 PolarHBondContact O-N 2.9Å; N140-K142 PolarHBondContact O-N 3.23Å; N140-F153 HydrophobicContact CB-CD2 4.07Å; N140-F153 HydrophobicContact CB-CE2 3.76Å
141Y96.8Very high96.5Very high53 Ų5368.2 Ų68.221%0.20837%0.368CS..  trans-62.9132.1174172.5-102.4000110.6C4 S122 W123 L137 M145 F153C4-Y141 VanDerWaalsContact SG-CE2 3.55Å; S122-Y141 VanDerWaalsContact CB-OH 3.24Å; S122-Y141 WeakPolarHBondContact CB-OH 3.45Å; W123-Y141 HydrophobicContact CB-CD2 4.22Å; W123-Y141 HydrophobicContact CB-CE2 4.25Å; W123-Y141 AromaticContact CD1-CD1 3.53Å; W123-Y141 AromaticContact CD1-CD2 3.42Å; W123-Y141 VanDerWaalsContact CD1-CD2 3.42Å; W123-Y141 AromaticContact CD1-CE1 3.74Å; W123-Y141 AromaticContact CD1-CE2 3.64Å; W123-Y141 AromaticContact CD1-CG 3.36Å; W123-Y141 AromaticContact CD1-CZ 3.79Å; W123-Y141 AromaticContact CG-CD2 3.98Å; W123-Y141 HydrophobicContact CG-CD2 3.98Å; W123-Y141 HydrophobicContact CG-CE2 4.27Å; W123-Y141 HydrophobicContact CG-CG 4.21Å; W123-Y141 AromaticContact NE1-CD1 3.63Å; W123-Y141 AromaticContact NE1-CG 3.64Å; L137-Y141 WeakPolarHBondContact O-CB 3.36Å; L137-Y141 PolarHBondContact O-N 3.03Å; Y141-M145 HydrophobicContact CD2-CE 3.8Å; Y141-M145 HydrophobicContact CE2-CE 4.04Å; Y141-F153 HydrophobicContact CD2-CE1 4.35Å
142K95.6Very high96.6Very high144 Ų14464.7 Ų64.763%0.62636%0.357SS*.  trans-127.2133.1172.5-63.1178.3-174.8176.80108.8N140 M145N140-K142 PolarHBondContact O-N 3.23Å; K142-M145 HydrophobicContact CB-CG 3.98Å; K142-M145 HydrophobicContact CB-SD 4.5Å; K142-M145 WeakPolarHBondContact O-CE 3.2Å; K142-M145 WeakPolarHBondContact O-CG 3.34Å
143S94.2Very high96.6Very high105 Ų10559.3 Ų59.373%0.73434%0.337SS*.THydrogen-bonded Turntrans-65.4147.2169.8-166.80000109.8M145S143-M145 VanDerWaalsContact C-N 3.31Å; S143-M145 PolarHBondContact O-N 2.84Å
144G92.6Very high96.6Very high55 Ų5559.3 Ų59.357%0.56734%0.337SS*.THydrogen-bonded Turntrans69.123.3176.900000115
145M97.1Very high96.7Very high12 Ų1256.8 Ų56.86%0.05933%0.328CS..  trans-55.1143.1170-78.1-178.5-68.900110.8C4 Y6 D7 Y141 K142 S143 E149 C150 F153C4-M145 VanDerWaalsContact SG-CE 3.51Å; Y6-M145 WeakPolarHBondContact CB-O 3.34Å; D7-M145 PolarHBondContact N-O 3.29Å; Y141-M145 HydrophobicContact CD2-CE 3.8Å; Y141-M145 HydrophobicContact CE2-CE 4.04Å; K142-M145 HydrophobicContact CB-CG 3.98Å; K142-M145 HydrophobicContact CB-SD 4.5Å; K142-M145 WeakPolarHBondContact O-CE 3.2Å; K142-M145 WeakPolarHBondContact O-CG 3.34Å; S143-M145 VanDerWaalsContact C-N 3.31Å; S143-M145 PolarHBondContact O-N 2.84Å; M145-E149 HydrophobicContact CB-CB 4.18Å; M145-E149 HydrophobicContact CG-CB 4.28Å; M145-C150 HydrophobicContact CB-CB 4.09Å; M145-C150 HydrophobicContact CE-CB 4.36Å; M145-C150 HydrophobicContact SD-CB 4.48Å; M145-F153 HydrophobicContact CE-CD1 3.91Å; M145-F153 HydrophobicContact CE-CE1 4.29Å; M145-F153 HydrophobicContact CE-CG 4.38Å; M145-F153 HydrophobicContact SD-CB 4.2Å; M145-F153 HydrophobicContact SD-CD1 4.44Å; M145-F153 HydrophobicContact SD-CG 4.33Å
146S97.6Very high96.7Very high42 Ų4256.6 Ų56.629%0.29431%0.313SS..  trans-62.9164.8163.562.70000111.2E148 E149 C150S146-E148 VanDerWaalsContact C-N 3.28Å; S146-E148 PolarHBondContact O-N 3.2Å; S146-E149 WeakPolarHBondContact CB-OE2 3.48Å; S146-E149 PolarHBondContact N-OE2 3.41Å; S146-E149 PolarHBondContact O-N 3.44Å; S146-E149 WeakPolarHBondContact OG-CB 3.42Å; S146-E149 VanDerWaalsContact OG-CD 3.24Å; S146-E149 WeakPolarHBondContact OG-CG 3.37Å; S146-E149 PolarHBondContact OG-N 3.32Å; S146-E149 PolarHBondContact OG-OE2 3.42Å; S146-C150 VanDerWaalsContact O-CB 3.31Å; S146-C150 WeakPolarHBondContact O-CB 3.39Å; S146-C150 PolarHBondContact O-N 3.11Å
147Q97.7Very high96.8Very high40 Ų4054.5 Ų54.519%0.18731%0.305CS..Hα-helixtrans-56.8-44.8176.8-172.9-168-109.300111.1Y6 I11 C150 I151 V176Y6-Q147 HydrophobicContact CD2-CB 3.88Å; Y6-Q147 HydrophobicContact CD2-CG 4.43Å; Y6-Q147 HydrophobicContact CE2-CB 3.67Å; Y6-Q147 HydrophobicContact CE2-CG 3.94Å; I11-Q147 HydrophobicContact CD1-CG 4.2Å; Q147-C150 PolarHBondContact O-N 3.04Å; Q147-I151 HydrophobicContact CG-CD1 3.97Å; Q147-I151 WeakPolarHBondContact O-CB 3.39Å; Q147-I151 VanDerWaalsContact O-CG1 3.23Å; Q147-I151 WeakPolarHBondContact O-CG1 3.49Å; Q147-I151 PolarHBondContact O-N 2.78Å; Q147-V176 HydrophobicContact CG-CG1 4.23Å
148E97.1Very high96.8Very high120 Ų12054.7 Ų54.756%0.56131%0.306SS*.Hα-helixtrans-69.2-43.3-176-68.862.5-134.500111.8S146 C150 I151 S152S146-E148 VanDerWaalsContact C-N 3.28Å; S146-E148 PolarHBondContact O-N 3.2Å; E148-C150 VanDerWaalsContact C-N 3.34Å; E148-C150 PolarHBondContact O-N 2.96Å; E148-I151 PolarHBondContact O-N 2.65Å; E148-S152 PolarHBondContact O-N 2.9Å
149E97.3Very high96.9Very high110 Ų11050 Ų5051%0.51428%0.281SS..Hα-helixtrans-60.4-45.2174.1-73.1168.5134.300111M145 S146 S152 F153M145-E149 HydrophobicContact CB-CB 4.18Å; M145-E149 HydrophobicContact CG-CB 4.28Å; S146-E149 WeakPolarHBondContact CB-OE2 3.48Å; S146-E149 PolarHBondContact N-OE2 3.41Å; S146-E149 PolarHBondContact O-N 3.44Å; S146-E149 WeakPolarHBondContact OG-CB 3.42Å; S146-E149 VanDerWaalsContact OG-CD 3.24Å; S146-E149 WeakPolarHBondContact OG-CG 3.37Å; S146-E149 PolarHBondContact OG-N 3.32Å; S146-E149 PolarHBondContact OG-OE2 3.42Å; E149-S152 WeakPolarHBondContact O-CB 3.32Å; E149-S152 PolarHBondContact O-N 3.32Å; E149-F153 WeakPolarHBondContact O-CB 3.29Å; E149-F153 PolarHBondContact O-N 3.46Å
150C97.8Very high97Very high0 Ų047.9 Ų47.90%026%0.26CS..Hα-helixtrans-67.4-38.6179.6-167.90000112C4 Y6 I11 M145 S146 Q147 E148 S152 F153 V154C4-C150 VanDerWaalsContact SG-SG 3.63Å; Y6-C150 HydrophobicContact CG-CB 4.46Å; I11-C150 HydrophobicContact CG1-CB 3.83Å; I11-C150 VanDerWaalsContact CG1-SG 3.55Å; M145-C150 HydrophobicContact CB-CB 4.09Å; M145-C150 HydrophobicContact CE-CB 4.36Å; M145-C150 HydrophobicContact SD-CB 4.48Å; S146-C150 VanDerWaalsContact O-CB 3.31Å; S146-C150 WeakPolarHBondContact O-CB 3.39Å; S146-C150 PolarHBondContact O-N 3.11Å; Q147-C150 PolarHBondContact O-N 3.04Å; E148-C150 VanDerWaalsContact C-N 3.34Å; E148-C150 PolarHBondContact O-N 2.96Å; C150-S152 PolarHBondContact O-N 2.62Å; C150-F153 PolarHBondContact O-N 3.13Å; C150-V154 WeakPolarHBondContact O-CB 3.06Å; C150-V154 WeakPolarHBondContact O-CG2 3.23Å; C150-V154 PolarHBondContact O-N 2.94Å
151I97.8Very high97Very high18 Ų1844.8 Ų44.89%0.09224%0.244CC..Hα-helixtrans-59.5-47171.5-72.7166.9000110.5I11 Q147 E148 V154 K155 I174 V176I11-I151 HydrophobicContact CD1-CD1 4.34Å; I11-I151 HydrophobicContact CD1-CG1 3.76Å; I11-I151 HydrophobicContact CG1-CG1 4.15Å; I11-I151 HydrophobicContact CG2-CG1 4.16Å; Q147-I151 HydrophobicContact CG-CD1 3.97Å; Q147-I151 WeakPolarHBondContact O-CB 3.39Å; Q147-I151 VanDerWaalsContact O-CG1 3.23Å; Q147-I151 WeakPolarHBondContact O-CG1 3.49Å; Q147-I151 PolarHBondContact O-N 2.78Å; E148-I151 PolarHBondContact O-N 2.65Å; I151-V154 PolarHBondContact O-N 3.26Å; I151-K155 HydrophobicContact CG2-CD 3.71Å; I151-K155 HydrophobicContact CG2-CG 4.26Å; I151-K155 VanDerWaalsContact O-CB 3.31Å; I151-K155 WeakPolarHBondContact O-CB 3.29Å; I151-K155 WeakPolarHBondContact O-CG 3.4Å; I151-K155 PolarHBondContact O-N 3.06Å; I151-I174 HydrophobicContact CG1-CG2 4.48Å; I151-V176 HydrophobicContact CD1-CG2 3.98Å; I151-V176 HydrophobicContact CG1-CG2 4.46Å
152S96.5Very high97.1Very high72 Ų7243.8 Ų43.850%0.50324%0.242SC..Hα-helixtrans-61.2-46.4178.3-170.60000111.5E148 E149 C150 V154 K155 K156E148-S152 PolarHBondContact O-N 2.9Å; E149-S152 WeakPolarHBondContact O-CB 3.32Å; E149-S152 PolarHBondContact O-N 3.32Å; C150-S152 PolarHBondContact O-N 2.62Å; S152-V154 PolarHBondContact O-N 2.94Å; S152-K155 PolarHBondContact O-N 2.91Å; S152-K156 WeakPolarHBondContact O-CB 3.2Å; S152-K156 PolarHBondContact O-N 2.87Å
153F97.3Very high97.1Very high11 Ų1141.2 Ų41.25%0.04824%0.236CC..Hα-helixtrans-57.3-50.9177.4170.6-110.8000112.1C4 Y136 L137 N140 Y141 M145 E149 C150 K156 A157C4-F153 HydrophobicContact CB-CD1 4.46Å; C4-F153 HydrophobicContact CB-CE1 4.32Å; Y136-F153 HydrophobicContact CD1-CE2 4.29Å; Y136-F153 AromaticContact CE1-CD2 3.77Å; Y136-F153 HydrophobicContact CE1-CD2 3.77Å; Y136-F153 AromaticContact CE1-CE2 3.67Å; Y136-F153 HydrophobicContact CE1-CE2 3.67Å; L137-F153 HydrophobicContact CB-CZ 4.3Å; L137-F153 HydrophobicContact CD2-CE1 3.74Å; L137-F153 HydrophobicContact CD2-CE2 3.97Å; L137-F153 HydrophobicContact CD2-CZ 3.3Å; L137-F153 HydrophobicContact CG-CZ 4.37Å; N140-F153 HydrophobicContact CB-CD2 4.07Å; N140-F153 HydrophobicContact CB-CE2 3.76Å; Y141-F153 HydrophobicContact CD2-CE1 4.35Å; M145-F153 HydrophobicContact CE-CD1 3.91Å; M145-F153 HydrophobicContact CE-CE1 4.29Å; M145-F153 HydrophobicContact CE-CG 4.38Å; M145-F153 HydrophobicContact SD-CB 4.2Å; M145-F153 HydrophobicContact SD-CD1 4.44Å; M145-F153 HydrophobicContact SD-CG 4.33Å; E149-F153 WeakPolarHBondContact O-CB 3.29Å; E149-F153 PolarHBondContact O-N 3.46Å; C150-F153 PolarHBondContact O-N 3.13Å; F153-K156 PolarHBondContact O-N 3.38Å; F153-A157 WeakPolarHBondContact O-CB 3.41Å; F153-A157 PolarHBondContact O-N 3.37Å
154V98.1Very high97.2Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-66.4-43.2179.6174.60000111.3I2 C4 I11 C150 I151 S152 K156 A157 V158 I174I2-V154 HydrophobicContact CB-CG1 4.3Å; I2-V154 HydrophobicContact CG2-CG1 4.12Å; I2-V154 HydrophobicContact CG2-CG2 4.16Å; C4-V154 HydrophobicContact CB-CG2 3.88Å; I11-V154 HydrophobicContact CB-CG2 4.21Å; I11-V154 HydrophobicContact CG2-CB 4.02Å; I11-V154 HydrophobicContact CG2-CG1 4.29Å; I11-V154 HydrophobicContact CG2-CG2 3.88Å; C150-V154 WeakPolarHBondContact O-CB 3.06Å; C150-V154 WeakPolarHBondContact O-CG2 3.23Å; C150-V154 PolarHBondContact O-N 2.94Å; I151-V154 PolarHBondContact O-N 3.26Å; S152-V154 PolarHBondContact O-N 2.94Å; V154-K156 VanDerWaalsContact C-N 3.34Å; V154-K156 PolarHBondContact O-N 3.23Å; V154-A157 PolarHBondContact O-N 3.08Å; V154-V158 HydrophobicContact CG1-CG2 4.35Å; V154-V158 WeakPolarHBondContact O-CG2 3.3Å; V154-V158 PolarHBondContact O-N 3.45Å; V154-I174 HydrophobicContact CB-CD1 4.37Å; V154-I174 HydrophobicContact CG1-CD1 3.66Å
155K97.3Very high97.4Very high47 Ų4742.3 Ų42.320%0.20421%0.208CC..Hα-helixtrans-56.7-47.9176.2-78.8173.366.4-178.40111.7I151 S152 V158 A159 I174 F187 M195I151-K155 HydrophobicContact CG2-CD 3.71Å; I151-K155 HydrophobicContact CG2-CG 4.26Å; I151-K155 VanDerWaalsContact O-CB 3.31Å; I151-K155 WeakPolarHBondContact O-CB 3.29Å; I151-K155 WeakPolarHBondContact O-CG 3.4Å; I151-K155 PolarHBondContact O-N 3.06Å; S152-K155 PolarHBondContact O-N 2.91Å; K155-V158 PolarHBondContact O-N 3.29Å; K155-A159 WeakPolarHBondContact O-CB 3.37Å; K155-A159 PolarHBondContact O-N 3.06Å; K155-I174 HydrophobicContact CG-CD1 3.97Å; K155-I174 HydrophobicContact CG-CG1 3.83Å; K155-F187 HydrophobicContact CD-CD2 4.19Å; K155-F187 HydrophobicContact CD-CE1 4.21Å; K155-F187 HydrophobicContact CD-CE2 3.61Å; K155-F187 HydrophobicContact CD-CZ 3.62Å; K155-F187 HydrophobicContact CG-CD2 4.35Å; K155-F187 HydrophobicContact CG-CE2 4.03Å; K155-M195 HydrophobicContact CB-SD 4.07Å
156K97.2Very high97.3Very high45 Ų4545.8 Ų45.820%0.19624%0.238CC..Hα-helixtrans-65.1-40.5-179.9-173163.5-174.9170.30111.8Y136 S152 F153 V154 A159 H160Y136-K156 HydrophobicContact CE2-CD 4.14Å; Y136-K156 HydrophobicContact CE2-CG 4.15Å; Y136-K156 WeakPolarHBondContact OH-CB 3.48Å; Y136-K156 WeakPolarHBondContact OH-CD 3.28Å; S152-K156 WeakPolarHBondContact O-CB 3.2Å; S152-K156 PolarHBondContact O-N 2.87Å; F153-K156 PolarHBondContact O-N 3.38Å; V154-K156 VanDerWaalsContact C-N 3.34Å; V154-K156 PolarHBondContact O-N 3.23Å; K156-A159 PolarHBondContact O-N 2.85Å; K156-H160 PolarHBondContact O-CD2 3.18Å; K156-H160 PolarHBondContact O-N 3.06Å
157A98Very high97.2Very high0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-61.9-45.9173.400000112.3I2 V133 Y136 L137 F153 V154 A159 H160 A161I2-A157 HydrophobicContact CD1-CB 3.4Å; I2-A157 HydrophobicContact CG1-CB 4.49Å; V133-A157 WeakPolarHBondContact CG1-O 3.49Å; Y136-A157 HydrophobicContact CD1-CB 3.83Å; Y136-A157 HydrophobicContact CE1-CB 3.71Å; L137-A157 HydrophobicContact CD2-CB 3.72Å; L137-A157 HydrophobicContact CG-CB 4.48Å; F153-A157 WeakPolarHBondContact O-CB 3.41Å; F153-A157 PolarHBondContact O-N 3.37Å; V154-A157 PolarHBondContact O-N 3.08Å; A157-A159 VanDerWaalsContact C-N 3.31Å; A157-A159 PolarHBondContact O-N 2.85Å; A157-H160 PolarHBondContact O-N 3.29Å; A157-A161 PolarHBondContact O-N 2.99Å
158V98.3Very high97.2Very high4 Ų444.1 Ų44.12%0.02423%0.231CC..Hα-helixtrans-62-40.6175.3-178.70000110.8I2 D15 V154 K155 H160 A161 I162 V172I2-V158 HydrophobicContact CD1-CB 4.4Å; I2-V158 HydrophobicContact CD1-CG2 3.66Å; D15-V158 HydrophobicContact CB-CG1 4.32Å; V154-V158 HydrophobicContact CG1-CG2 4.35Å; V154-V158 WeakPolarHBondContact O-CG2 3.3Å; V154-V158 PolarHBondContact O-N 3.45Å; K155-V158 PolarHBondContact O-N 3.29Å; V158-H160 PolarHBondContact O-N 3.01Å; V158-A161 WeakPolarHBondContact O-CB 3.29Å; V158-A161 PolarHBondContact O-N 3.46Å; V158-I162 HydrophobicContact CG1-CD1 3.96Å; V158-I162 HydrophobicContact CG1-CG1 4.34Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 3.27Å; V158-V172 HydrophobicContact CB-CG1 4.06Å; V158-V172 HydrophobicContact CB-CG2 4.28Å; V158-V172 HydrophobicContact CG1-CB 4.38Å; V158-V172 HydrophobicContact CG1-CG1 3.98Å; V158-V172 HydrophobicContact CG1-CG2 3.76Å; V158-V172 HydrophobicContact CG2-CG1 4.39Å
159A98Very high97.2Very high0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-62.7-39.9176.800000112.4K155 K156 A157 A161 I162 N163 V192 M195 L196K155-A159 WeakPolarHBondContact O-CB 3.37Å; K155-A159 PolarHBondContact O-N 3.06Å; K156-A159 PolarHBondContact O-N 2.85Å; A157-A159 VanDerWaalsContact C-N 3.31Å; A157-A159 PolarHBondContact O-N 2.85Å; A159-A161 VanDerWaalsContact C-N 3.35Å; A159-I162 PolarHBondContact O-N 3.18Å; A159-N163 WeakPolarHBondContact O-CB 3.36Å; A159-N163 PolarHBondContact O-N 3.47Å; A159-V192 HydrophobicContact CB-CG1 3.86Å; A159-M195 HydrophobicContact CB-CB 3.89Å; A159-M195 HydrophobicContact CB-SD 4.35Å; A159-L196 HydrophobicContact CB-CD2 3.75Å; A159-L196 HydrophobicContact CB-CG 3.98Å
160H97.8Very high97.2Very high54 Ų5434.6 Ų34.625%0.2519%0.194CC..Hα-helixtrans-61.5-43173.8-80.5-62.8000111.7V133 Y136 K156 A157 V158 N163 R164 L196V133-H160 HydrophobicContact CG1-CB 3.84Å; Y136-H160 AromaticContact CD2-CD2 3.92Å; Y136-H160 AromaticContact CD2-NE2 3.92Å; K156-H160 PolarHBondContact O-CD2 3.18Å; K156-H160 PolarHBondContact O-N 3.06Å; A157-H160 PolarHBondContact O-N 3.29Å; V158-H160 PolarHBondContact O-N 3.01Å; H160-N163 PolarHBondContact O-N 3.09Å; H160-R164 PolarHBondContact O-N 3.08Å; H160-L196 HydrophobicContact CB-CD2 4.47Å
161A98Very high97.2Very high8 Ų835.4 Ų35.47%0.06620%0.2CC..Hα-helixtrans-62.1-48.4175.100000111.6V133 A157 V158 A159 N163 R164 D165V133-A161 HydrophobicContact CG1-CB 3.84Å; A157-A161 PolarHBondContact O-N 2.99Å; V158-A161 WeakPolarHBondContact O-CB 3.29Å; V158-A161 PolarHBondContact O-N 3.46Å; A159-A161 VanDerWaalsContact C-N 3.35Å; A161-N163 PolarHBondContact O-N 2.64Å; A161-R164 PolarHBondContact O-N 2.77Å; A161-R164 VanDerWaalsContact O-N 3.17Å; A161-D165 VanDerWaalsContact O-CB 3.28Å; A161-D165 WeakPolarHBondContact O-CB 3.07Å; A161-D165 PolarHBondContact O-N 3.49Å
162I97.7Very high97.2Very high32 Ų3234.6 Ų34.616%0.16420%0.195CC..Hα-helixtrans-56.4-37.7176.5-72.2173.2000111.8D15 V158 A159 R164 V172 V192D15-I162 HydrophobicContact CB-CD1 3.86Å; D15-I162 HydrophobicContact CB-CG1 3.77Å; V158-I162 HydrophobicContact CG1-CD1 3.96Å; V158-I162 HydrophobicContact CG1-CG1 4.34Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 3.27Å; A159-I162 PolarHBondContact O-N 3.18Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 3.2Å; I162-V172 HydrophobicContact CD1-CG2 3.7Å; I162-V192 HydrophobicContact CB-CG1 4.39Å; I162-V192 HydrophobicContact CD1-CG1 4.14Å; I162-V192 HydrophobicContact CD1-CG2 4.42Å; I162-V192 HydrophobicContact CG2-CG1 4.09Å
163N96.5Very high97.3Very high91 Ų9133.8 Ų33.849%0.48718%0.181SC..Hα-helixtrans-76.7-17.5-176.8-168.959.5000114.1A159 H160 A161 L196A159-N163 WeakPolarHBondContact O-CB 3.36Å; A159-N163 PolarHBondContact O-N 3.47Å; H160-N163 PolarHBondContact O-N 3.09Å; A161-N163 PolarHBondContact O-N 2.64Å; N163-L196 HydrophobicContact CB-CD1 3.88Å
164R96.4Very high97.4Very high171 Ų17133.3 Ų33.365%0.64518%0.179SC*.Hα-helixtrans-119.3-30.5-173.9-63.8-58.1-168.7-169.32.9114.3Y132 H160 A161 I162Y132-R164 HydrophobicContact CD1-CB 3.52Å; Y132-R164 HydrophobicContact CD1-CG 4.43Å; Y132-R164 HydrophobicContact CD2-CB 4.43Å; Y132-R164 HydrophobicContact CE1-CB 4.1Å; Y132-R164 HydrophobicContact CG-CB 3.68Å; H160-R164 PolarHBondContact O-N 3.08Å; A161-R164 PolarHBondContact O-N 2.77Å; A161-R164 VanDerWaalsContact O-N 3.17Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 3.2Å
165D96.9Very high97.4Very high12 Ų1233.3 Ų33.36%0.06418%0.179CC..  trans-91.9120.4-177.9178.929.6000111.8S128 G129 Y132 A161 S167 S168S128-D165 WeakPolarHBondContact CB-OD2 3.48Å; S128-D165 PolarHBondContact OG-OD2 2.84Å; G129-D165 WeakPolarHBondContact CA-OD2 3.33Å; G129-D165 PolarHBondContact N-OD2 3.28Å; Y132-D165 HydrophobicContact CD2-CB 3.68Å; Y132-D165 HydrophobicContact CE2-CB 3.5Å; Y132-D165 VanDerWaalsContact CE2-CB 3.5Å; A161-D165 VanDerWaalsContact O-CB 3.28Å; A161-D165 WeakPolarHBondContact O-CB 3.07Å; A161-D165 PolarHBondContact O-N 3.49Å; D165-S167 PolarHBondContact O-N 3.17Å; D165-S167 PolarHBondContact OD1-N 3.07Å; D165-S168 PolarHBondContact O-N 3.23Å; D165-S168 VanDerWaalsContact O-N 3.07Å; D165-S168 WeakPolarHBondContact OD2-CB 3.31Å; D165-S168 PolarHBondContact OD2-N 3.09Å; D165-S168 PolarHBondContact OD2-OG 3.07Å
166A95.1Very high97.4Very high84 Ų8431.1 Ų31.169%0.69417%0.17SC*.THydrogen-bonded Turntrans-61.1-29.9179.200000113.1R17R17-A166 PolarHBondContact NH1-O 3.25Å
167S95.6Very high97.5Very high42 Ų4229 Ų2929%0.29416%0.161SC..THydrogen-bonded Turntrans-85.5-7.7178.7-66.20000113.8R17 D165R17-S167 VanDerWaalsContact CD-O 3.31Å; R17-S167 WeakPolarHBondContact CD-O 3.47Å; D165-S167 PolarHBondContact O-N 3.17Å; D165-S167 PolarHBondContact OD1-N 3.07Å
168S97.2Very high97.5Very high6 Ų630 Ų304%0.04217%0.166CC..  trans-100.6149.6177.6-66.40000111.8D15 R17 D165D15-S168 WeakPolarHBondContact OD2-CA 3.44Å; R17-S168 VanDerWaalsContact CZ-O 3.24Å; R17-S168 PolarHBondContact NE-O 2.59Å; R17-S168 PolarHBondContact NH1-O 3.27Å; D165-S168 PolarHBondContact O-N 3.23Å; D165-S168 VanDerWaalsContact O-N 3.07Å; D165-S168 WeakPolarHBondContact OD2-CB 3.31Å; D165-S168 PolarHBondContact OD2-N 3.09Å; D165-S168 PolarHBondContact OD2-OG 3.07Å
169G97.1Very high97.5Very high1 Ų132.8 Ų32.81%0.0119%0.186CC..  trans162.3-164.8173.100000115D15 T16 R17D15-G169 PolarHBondContact OD2-N 2.72Å; D15-G169 VanDerWaalsContact OD2-N 3.09Å; T16-G169 PolarHBondContact N-O 2.71Å; T16-G169 VanDerWaalsContact N-O 3.09Å; R17-G169 WeakPolarHBondContact CB-O 3.41Å; R17-G169 PolarHBondContact N-O 3.17Å
170G96.5Very high97.4Very high28 Ų2837.4 Ų37.429%0.28922%0.218SC..SBendtrans82-129.9-175.600000111.1G189G170-G189 VanDerWaalsContact O-CA 3.31Å; G170-G189 WeakPolarHBondContact O-CA 3.14Å
171C97.8Very high97.4Very high18 Ų1835.2 Ų35.212%0.12221%0.21CC..  trans-96.5171.1-178.9-60.80000111D15 T16 L186 F187D15-C171 CarbonylContact C-O 3.53Å; D15-C171 VanDerWaalsContact CA-O 3.32Å; D15-C171 WeakPolarHBondContact CA-O 3.5Å; T16-C171 HydrophobicContact CG2-CB 3.91Å; T16-C171 PolarHBondContact N-O 3.43Å; T16-C171 PolarHBondContact OG1-N 3.07Å; C171-L186 HydrophobicContact CB-CD1 3.68Å; C171-F187 WeakPolarHBondContact CA-O 3.45Å; C171-F187 WeakPolarHBondContact CB-O 3.42Å
172V98.4Very high97.4Very high0 Ų036.4 Ų36.40%022%0.215CC..EExtended strand (participates in β ladder)trans-107.3119.8168.21770000108.7V158 I162 I174 F187 V192 M195V158-V172 HydrophobicContact CB-CG1 4.06Å; V158-V172 HydrophobicContact CB-CG2 4.28Å; V158-V172 HydrophobicContact CG1-CB 4.38Å; V158-V172 HydrophobicContact CG1-CG1 3.98Å; V158-V172 HydrophobicContact CG1-CG2 3.76Å; V158-V172 HydrophobicContact CG2-CG1 4.39Å; I162-V172 HydrophobicContact CD1-CG2 3.7Å; V172-I174 HydrophobicContact CG1-CD1 3.95Å; V172-I174 HydrophobicContact CG1-CG1 4.1Å; V172-F187 HydrophobicContact CB-CB 4.27Å; V172-F187 HydrophobicContact CG1-CD2 4.44Å; V172-F187 PolarHBondContact N-O 2.79Å; V172-F187 PolarHBondContact O-N 2.81Å; V172-V192 HydrophobicContact CG2-CG2 3.87Å; V172-M195 HydrophobicContact CB-CE 4.39Å; V172-M195 HydrophobicContact CG2-CE 4.31Å; V172-M195 HydrophobicContact CG2-SD 4.23Å
173R98.4Very high97.4Very high56 Ų5641.4 Ų41.421%0.21123%0.231CC..EExtended strand (participates in β ladder)trans-97.3128.9169.6-73.1-178.9-173.1-76.71.6109G13 T14 T16 T28 S29 D30 I32 L186G13-R173 CarbonylContact C-O 3.54Å; G13-R173 VanDerWaalsContact CA-O 3.25Å; G13-R173 WeakPolarHBondContact CA-O 3.42Å; T14-R173 PolarHBondContact N-O 2.62Å; T14-R173 PolarHBondContact O-N 3.28Å; T16-R173 HydrophobicContact CG2-CG 3.66Å; T28-R173 PolarHBondContact O-NH2 3.28Å; S29-R173 PolarHBondContact O-NE 2.84Å; D30-R173 WeakPolarHBondContact OD1-CD 3.46Å; D30-R173 IonicContact OD1-NE 3.88Å; I32-R173 HydrophobicContact CD1-CB 3.98Å; R173-L186 HydrophobicContact CG-CD1 3.68Å
174I98.4Very high97.5Very high1 Ų142 Ų421%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-117142.5171.4-60.7-61.8000108.8I11 V12 I151 V154 K155 V172 R184 Q185 F187I11-I174 HydrophobicContact CG2-CG2 3.8Å; V12-I174 CarbonylContact O-C 3.53Å; V12-I174 VanDerWaalsContact O-CA 3.23Å; V12-I174 WeakPolarHBondContact O-CA 3.29Å; I151-I174 HydrophobicContact CG1-CG2 4.48Å; V154-I174 HydrophobicContact CB-CD1 4.37Å; V154-I174 HydrophobicContact CG1-CD1 3.66Å; K155-I174 HydrophobicContact CG-CD1 3.97Å; K155-I174 HydrophobicContact CG-CG1 3.83Å; V172-I174 HydrophobicContact CG1-CD1 3.95Å; V172-I174 HydrophobicContact CG1-CG1 4.1Å; I174-R184 WeakPolarHBondContact O-CA 3.25Å; I174-Q185 HydrophobicContact CB-CB 4.35Å; I174-Q185 PolarHBondContact N-O 3.37Å; I174-Q185 PolarHBondContact O-N 3.2Å; I174-F187 HydrophobicContact CB-CE2 4.33Å; I174-F187 HydrophobicContact CG1-CD2 4.2Å; I174-F187 HydrophobicContact CG1-CE2 3.81Å
175A98.5Very high97.6Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-128.8137163.600000110.9I11 V12 I32 I182 R183 R184I11-A175 WeakPolarHBondContact CA-O 3.41Å; V12-A175 HydrophobicContact CG2-CB 3.63Å; V12-A175 WeakPolarHBondContact CG2-O 3.31Å; V12-A175 PolarHBondContact N-O 3.09Å; V12-A175 PolarHBondContact O-N 3.26Å; I32-A175 HydrophobicContact CD1-CB 4.26Å; I32-A175 HydrophobicContact CG2-CB 4.29Å; A175-I182 HydrophobicContact CB-CG2 4.04Å; A175-R183 CarbonylContact C-O 3.54Å; A175-R183 VanDerWaalsContact CA-O 3.3Å; A175-R183 WeakPolarHBondContact CA-O 3.36Å; A175-R184 HydrophobicContact CB-CG 4.16Å
176V98.6Very high97.6Very high1 Ų140.3 Ų40.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-99.2123.4172.4-174.30000107.3Y6 I11 Q147 I151 I182 R183Y6-V176 HydrophobicContact CE1-CG1 4.15Å; Y6-V176 WeakPolarHBondContact OH-CG1 3.28Å; I11-V176 HydrophobicContact CD1-CB 3.98Å; I11-V176 HydrophobicContact CD1-CG1 3.73Å; I11-V176 HydrophobicContact CD1-CG2 3.71Å; Q147-V176 HydrophobicContact CG-CG1 4.23Å; I151-V176 HydrophobicContact CD1-CG2 3.98Å; I151-V176 HydrophobicContact CG1-CG2 4.46Å; V176-I182 WeakPolarHBondContact O-CA 3.28Å; V176-R183 PolarHBondContact N-O 3.25Å; V176-R183 PolarHBondContact O-N 2.92Å
177I98.6Very high97.7Very high1 Ų137.8 Ų37.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-120.7120.1-178.9-44.4179.7000108.7G9 V10 V12 Y38 G181 I182G9-I177 CarbonylContact C-O 3.55Å; G9-I177 VanDerWaalsContact CA-O 3.24Å; G9-I177 WeakPolarHBondContact CA-O 3.4Å; V10-I177 HydrophobicContact CB-CB 4.46Å; V10-I177 PolarHBondContact N-O 3.18Å; V10-I177 PolarHBondContact O-N 2.93Å; V12-I177 HydrophobicContact CG2-CD1 4.36Å; Y38-I177 WeakPolarHBondContact O-CG2 3.48Å; I177-G181 WeakPolarHBondContact CA-O 3.14Å; I177-I182 HydrophobicContact CB-CG1 4.32Å; I177-I182 HydrophobicContact CD1-CD1 4.46Å; I177-I182 HydrophobicContact CD1-CG1 4.46Å; I177-I182 HydrophobicContact CG1-CG1 4.01Å; I177-I182 HydrophobicContact CG1-CG2 4.36Å; I177-I182 HydrophobicContact CG2-CD1 4.4Å; I177-I182 HydrophobicContact CG2-CG1 3.8Å
178N98.1Very high97.8Very high21 Ų2140 Ų4011%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-152.9-168.5179.361.627.8000110.7Y6 G8 Y38 S180 G181Y6-N178 PolarHBondContact OH-ND2 3.17Å; Y6-N178 VanDerWaalsContact OH-ND2 3.16Å; G8-N178 WeakPolarHBondContact O-CB 3.17Å; Y38-N178 WeakPolarHBondContact CD1-O 3.44Å; N178-S180 PolarHBondContact O-N 3.3Å; N178-S180 VanDerWaalsContact O-N 3.11Å; N178-S180 WeakPolarHBondContact OD1-CB 3.02Å; N178-S180 PolarHBondContact OD1-N 3.07Å; N178-G181 PolarHBondContact N-O 3.45Å; N178-G181 VanDerWaalsContact N-O 3.08Å; N178-G181 PolarHBondContact O-N 3.33Å
179S97.2Very high97.7Very high62 Ų6241.3 Ų41.343%0.43422%0.224SC..THydrogen-bonded Turntrans-59.7-18.6179.7600000114.8Y38Y38-S179 WeakPolarHBondContact CE1-O 3.48Å
180S97.1Very high97.6Very high96 Ų9647.4 Ų47.467%0.67126%0.257SS*.THydrogen-bonded Turntrans-86.1-15.5175.5-54.40000113.6N178N178-S180 PolarHBondContact O-N 3.3Å; N178-S180 VanDerWaalsContact O-N 3.11Å; N178-S180 WeakPolarHBondContact OD1-CB 3.02Å; N178-S180 PolarHBondContact OD1-N 3.07Å
181G97.3Very high97.6Very high8 Ų850 Ų508%0.08226%0.261CS..EExtended strand (participates in β ladder)trans126.7-150-176.900000112.8I177 N178I177-G181 WeakPolarHBondContact CA-O 3.14Å; N178-G181 PolarHBondContact N-O 3.45Å; N178-G181 VanDerWaalsContact N-O 3.08Å; N178-G181 PolarHBondContact O-N 3.33Å
182I98.4Very high97.5Very high33 Ų3349.5 Ų49.517%0.16926%0.257CS..EExtended strand (participates in β ladder)trans-115.6118.6180-61.1173.4000109.3Q34 I39 A175 V176 I177 R184Q34-I182 HydrophobicContact CB-CD1 4.23Å; Q34-I182 HydrophobicContact CG-CD1 3.66Å; I39-I182 WeakPolarHBondContact O-CD1 3.32Å; A175-I182 HydrophobicContact CB-CG2 4.04Å; V176-I182 WeakPolarHBondContact O-CA 3.28Å; I177-I182 HydrophobicContact CB-CG1 4.32Å; I177-I182 HydrophobicContact CD1-CD1 4.46Å; I177-I182 HydrophobicContact CD1-CG1 4.46Å; I177-I182 HydrophobicContact CG1-CG1 4.01Å; I177-I182 HydrophobicContact CG1-CG2 4.36Å; I177-I182 HydrophobicContact CG2-CD1 4.4Å; I177-I182 HydrophobicContact CG2-CG1 3.8Å; I182-R184 HydrophobicContact CG2-CG 4.37Å
183R98.1Very high97.4Very high137 Ų13753.2 Ų53.252%0.51728%0.282SS..EExtended strand (participates in β ladder)trans-111.9132.6174.9173.2170.749.2-148.3-4.8110A175 V176A175-R183 CarbonylContact C-O 3.54Å; A175-R183 VanDerWaalsContact CA-O 3.3Å; A175-R183 WeakPolarHBondContact CA-O 3.36Å; V176-R183 PolarHBondContact N-O 3.25Å; V176-R183 PolarHBondContact O-N 2.92Å
184R97.9Very high97.2Very high103 Ų10354 Ų5439%0.38930%0.295SS..EExtended strand (participates in β ladder)trans-110.9146.1-172.6-67.5-179.7155.9-140.1-10.6112.3D30 I32 I174 A175 I182D30-R184 IonicContact OD1-NH1 3.64Å; D30-R184 IonicContact OD1-NH2 3.98Å; D30-R184 IonicContact OD2-CZ 3.66Å; D30-R184 IonicContact OD2-NH1 2.65Å; D30-R184 PolarHBondContact OD2-NH1 3.45Å; D30-R184 IonicContact OD2-NH2 3.8Å; I32-R184 VanDerWaalsContact C-NH2 3.31Å; I32-R184 PolarHBondContact O-NH2 2.79Å; I174-R184 WeakPolarHBondContact O-CA 3.25Å; A175-R184 HydrophobicContact CB-CG 4.16Å; I182-R184 HydrophobicContact CG2-CG 4.37Å
185Q97.6Very high97Very high64 Ų6455.1 Ų55.130%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-133.5142.2174.3-57.3178.523.900109.2I174 F187I174-Q185 HydrophobicContact CB-CB 4.35Å; I174-Q185 PolarHBondContact N-O 3.37Å; I174-Q185 PolarHBondContact O-N 3.2Å; Q185-F187 HydrophobicContact CB-CE2 3.99Å; Q185-F187 HydrophobicContact CB-CZ 4.31Å
186L97.9Very high96.7Very high84 Ų8457 Ų5744%0.4431%0.311SS..EExtended strand (participates in β ladder)trans-123127.8175.7178.968.8000108.4C171 R173 L188C171-L186 HydrophobicContact CB-CD1 3.68Å; R173-L186 HydrophobicContact CG-CD1 3.68Å; L186-L188 HydrophobicContact CD2-CD2 4.23Å; L186-L188 HydrophobicContact CG-CD2 4.47Å
187F97.4Very high96.1Very high32 Ų3264.3 Ų64.314%0.1434%0.343CS..EExtended strand (participates in β ladder)trans-112.6125.8171.9-57.6-85.5000108.8K155 C171 V172 I174 Q185 M195K155-F187 HydrophobicContact CD-CD2 4.19Å; K155-F187 HydrophobicContact CD-CE1 4.21Å; K155-F187 HydrophobicContact CD-CE2 3.61Å; K155-F187 HydrophobicContact CD-CZ 3.62Å; K155-F187 HydrophobicContact CG-CD2 4.35Å; K155-F187 HydrophobicContact CG-CE2 4.03Å; C171-F187 WeakPolarHBondContact CA-O 3.45Å; C171-F187 WeakPolarHBondContact CB-O 3.42Å; V172-F187 HydrophobicContact CB-CB 4.27Å; V172-F187 HydrophobicContact CG1-CD2 4.44Å; V172-F187 PolarHBondContact N-O 2.79Å; V172-F187 PolarHBondContact O-N 2.81Å; I174-F187 HydrophobicContact CB-CE2 4.33Å; I174-F187 HydrophobicContact CG1-CD2 4.2Å; I174-F187 HydrophobicContact CG1-CE2 3.81Å; Q185-F187 HydrophobicContact CB-CE2 3.99Å; Q185-F187 HydrophobicContact CB-CZ 4.31Å; F187-M195 HydrophobicContact CB-CE 3.34Å; F187-M195 HydrophobicContact CD1-CE 4.22Å; F187-M195 HydrophobicContact CD2-CE 4.49Å; F187-M195 HydrophobicContact CG-CE 3.78Å
188L97.5Very high94.6Very high89 Ų8975.9 Ų75.947%0.46640%0.396SS..  trans-71.1158.2-174.1-60.2-177.9000111.5L186 D190 Q191 V192L186-L188 HydrophobicContact CD2-CD2 4.23Å; L186-L188 HydrophobicContact CG-CD2 4.47Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 WeakPolarHBondContact CB-OD1 3.4Å; L188-D190 PolarHBondContact O-N 3.24Å; L188-Q191 HydrophobicContact CB-CG 4.4Å; L188-Q191 WeakPolarHBondContact O-CB 3.31Å; L188-Q191 PolarHBondContact O-N 3.42Å; L188-V192 PolarHBondContact O-N 3.45Å
189G94.9Very high94.4Very high33 Ų3378.6 Ų78.634%0.3441%0.41SS..G310 helixtrans-60.8-33.1-173.500000114.4G170 Q191 V192 P193G170-G189 VanDerWaalsContact O-CA 3.31Å; G170-G189 WeakPolarHBondContact O-CA 3.14Å; G189-Q191 VanDerWaalsContact C-N 3.27Å; G189-Q191 PolarHBondContact O-N 2.83Å; G189-V192 WeakPolarHBondContact O-CB 3.19Å; G189-V192 PolarHBondContact O-N 3.03Å; G189-P193 WeakPolarHBondContact O-CD 3.46Å
190D95.8Very high94.3Very high129 Ų12979.5 Ų79.569%0.6941%0.409SS*.G310 helixtrans-68.2-24.4174.662.8-34.9000113L188 P193L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 WeakPolarHBondContact CB-OD1 3.4Å; L188-D190 PolarHBondContact O-N 3.24Å; D190-P193 WeakPolarHBondContact O-CD 3.46Å
191Q96.2Very high94.1Very high81 Ų8178.6 Ų78.638%0.37939%0.394SS..G310 helixtrans-79.6-23175.2-56.5178.4-52.200112.2L188 G189 S194 M195L188-Q191 HydrophobicContact CB-CG 4.4Å; L188-Q191 WeakPolarHBondContact O-CB 3.31Å; L188-Q191 PolarHBondContact O-N 3.42Å; G189-Q191 VanDerWaalsContact C-N 3.27Å; G189-Q191 PolarHBondContact O-N 2.83Å; Q191-S194 WeakPolarHBondContact O-CB 3.43Å; Q191-S194 PolarHBondContact O-N 3.29Å; Q191-S194 VanDerWaalsContact O-N 3.1Å; Q191-S194 PolarHBondContact O-OG 3.41Å; Q191-M195 HydrophobicContact CB-CE 4.31Å
192V96Very high93.9Very high8 Ų882.7 Ų82.75%0.04841%0.413CS..G310 helixtrans-57.2-46-174.3-178.70000113.3A159 I162 V172 L188 G189 S194 M195A159-V192 HydrophobicContact CB-CG1 3.86Å; I162-V192 HydrophobicContact CB-CG1 4.39Å; I162-V192 HydrophobicContact CD1-CG1 4.14Å; I162-V192 HydrophobicContact CD1-CG2 4.42Å; I162-V192 HydrophobicContact CG2-CG1 4.09Å; V172-V192 HydrophobicContact CG2-CG2 3.87Å; L188-V192 PolarHBondContact O-N 3.45Å; G189-V192 WeakPolarHBondContact O-CB 3.19Å; G189-V192 PolarHBondContact O-N 3.03Å; V192-S194 PolarHBondContact O-N 2.79Å; V192-M195 HydrophobicContact CG2-CE 4.32Å; V192-M195 WeakPolarHBondContact O-CB 3.32Å; V192-M195 PolarHBondContact O-N 3.21Å
193P94.8Very high93.7Very high79 Ų7985.8 Ų85.851%0.51343%0.428SS..G310 helixtrans-58.7-31.6177.6-26.335.9000113.8G189 D190 M195 L196G189-P193 WeakPolarHBondContact O-CD 3.46Å; D190-P193 WeakPolarHBondContact O-CD 3.46Å; P193-M195 VanDerWaalsContact C-N 3.25Å; P193-M195 PolarHBondContact O-N 3.32Å; P193-L196 PolarHBondContact O-N 2.83Å
194S94.9Very high93.4Very high71 Ų7182.4 Ų82.450%0.49742%0.422SS..G310 helixtrans-67.9-25.717876.50000112.8Q191 V192 L196 K197Q191-S194 WeakPolarHBondContact O-CB 3.43Å; Q191-S194 PolarHBondContact O-N 3.29Å; Q191-S194 VanDerWaalsContact O-N 3.1Å; Q191-S194 PolarHBondContact O-OG 3.41Å; V192-S194 PolarHBondContact O-N 2.79Å; S194-L196 PolarHBondContact O-N 3.02Å; S194-K197 PolarHBondContact O-N 3.32Å
195M94.8Very high93Very high25 Ų2580.9 Ų80.912%0.12342%0.424CS..G310 helixtrans-70.9-18.1178.6-53.5-179.1-164.700113.3K155 A159 V172 F187 Q191 V192 P193K155-M195 HydrophobicContact CB-SD 4.07Å; A159-M195 HydrophobicContact CB-CB 3.89Å; A159-M195 HydrophobicContact CB-SD 4.35Å; V172-M195 HydrophobicContact CB-CE 4.39Å; V172-M195 HydrophobicContact CG2-CE 4.31Å; V172-M195 HydrophobicContact CG2-SD 4.23Å; F187-M195 HydrophobicContact CB-CE 3.34Å; F187-M195 HydrophobicContact CD1-CE 4.22Å; F187-M195 HydrophobicContact CD2-CE 4.49Å; F187-M195 HydrophobicContact CG-CE 3.78Å; Q191-M195 HydrophobicContact CB-CE 4.31Å; V192-M195 HydrophobicContact CG2-CE 4.32Å; V192-M195 WeakPolarHBondContact O-CB 3.32Å; V192-M195 PolarHBondContact O-N 3.21Å; P193-M195 VanDerWaalsContact C-N 3.25Å; P193-M195 PolarHBondContact O-N 3.32Å
196L92.6Very high92.7Very high39 Ų3982.2 Ų82.220%0.20443%0.434CS..G310 helixtrans-89.7-14.3177.8-64175.8000112.7A159 H160 N163 P193 S194A159-L196 HydrophobicContact CB-CD2 3.75Å; A159-L196 HydrophobicContact CB-CG 3.98Å; H160-L196 HydrophobicContact CB-CD2 4.47Å; N163-L196 HydrophobicContact CB-CD1 3.88Å; P193-L196 PolarHBondContact O-N 2.83Å; S194-L196 PolarHBondContact O-N 3.02Å
197K85.6Confident92.2Very high156 Ų15682.1 Ų82.168%0.67843%0.434SS*.  trans-71.1144.4177-62.3-176.5179.6-177.60109.4S194S194-K197 PolarHBondContact O-N 3.32Å
198H66.6Low91.8Very high243 Ų24386.6 Ų86.6100%1.12546%0.46SS*.  trans-73.40178.8-67.9-79.3000111.4

Retrieved 198 of 198 residues in 57.8 ms (Link to these results)

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