A0A087YBP2_POEFO Loading...

NUBP iron-sulfur cluster assembly factor 2, cytosolic

Component of the cytosolic iron-sulfur (Fe/S) protein assembly (CIA) machinery. Required for maturation of extramitochondrial Fe-S proteins. The NUBP1-NUBP2 heterotetramer forms a Fe-S scaffold complex, mediating the de novo assembly of an Fe-S cluster and its transfer to target apoproteins. Negatively regulates cilium formation and structure.

AlphaFold DB , UniProt , Accession A0A087YBP2, Species POEFO (Poecilia formosa, Amazon molly), Gene NUBP2, Length 268 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
1M32.6Very low57.9Low235 Ų235113.4 Ų113.4100%1.15860%0.599SS**  086.10-80178177.500104.6Q3M1-Q3 PolarHBondContact O-N 3.4Å
2D33.7Very low61Low159 Ų159105.2 Ų105.285%0.8556%0.556SS**  trans-84.4100.1-176.5-62.5-28.7000107.3N4D2-N4 PolarHBondContact O-N 3.39Å
3Q33.3Very low63.6Low188 Ų188110.2 Ų110.288%0.87956%0.563SS**  trans-76111164.6-73.4-175.50.100106.8M1 N5M1-Q3 PolarHBondContact O-N 3.4Å; Q3-N5 PolarHBondContact O-N 3.15Å
4N37.4Very low65.9Low143 Ų143104.8 Ų104.877%0.76553%0.534SS*.  trans-51.6101167.1-88.1-8.1000109D2 E6D2-N4 PolarHBondContact O-N 3.39Å; N4-E6 PolarHBondContact O-N 3.37Å
5N41.4Very low67.9Low155 Ų15598 Ų9883%0.82950%0.5SS*.  trans-80.777168.3-159.715.6000107.3Q3 G7Q3-N5 PolarHBondContact O-N 3.15Å; N5-G7 VanDerWaalsContact C-N 3.25Å; N5-G7 PolarHBondContact O-N 2.95Å
6E52.8Low69.7Low143 Ų14391.9 Ų91.967%0.66847%0.469SS*.  trans-61.395.5162.7-74.9-179-179.200106.1N4 A10N4-E6 PolarHBondContact O-N 3.37Å; E6-A10 HydrophobicContact CB-CB 3.73Å
7G64.1Low71.3Confident22 Ų2286.5 Ų86.523%0.22744%0.441CS..  trans-56.3164.3-169.700000113.3N5 L9 A10N5-G7 VanDerWaalsContact C-N 3.25Å; N5-G7 PolarHBondContact O-N 2.95Å; G7-L9 PolarHBondContact O-N 3.36Å; G7-A10 WeakPolarHBondContact O-CB 3.35Å; G7-A10 PolarHBondContact O-N 2.61Å
8S79.6Confident72.7Confident23 Ų2381.7 Ų81.716%0.16142%0.417CS..THydrogen-bonded Turntrans-31.7-38.5-179.8134.90000116.5V117 S118 V120 W122S8-V117 WeakPolarHBondContact CB-O 3.49Å; S8-V117 PolarHBondContact OG-O 3.25Å; S8-S118 WeakPolarHBondContact CB-O 3.44Å; S8-V120 WeakPolarHBondContact CB-O 3.38Å; S8-V120 PolarHBondContact OG-O 3.43Å; S8-W122 VanDerWaalsContact OG-CD1 3.28Å
9L86Confident73.8Confident9 Ų977.5 Ų77.55%0.04740%0.395CS..THydrogen-bonded Turntrans-91.32.7-176.6-57-176.3000115.2G7 Q11 V12 V15 V117 W122 L128 L147 H150G7-L9 PolarHBondContact O-N 3.36Å; L9-Q11 PolarHBondContact O-N 2.76Å; L9-V12 HydrophobicContact CB-CG2 4.42Å; L9-V12 HydrophobicContact CD2-CG2 3.99Å; L9-V12 WeakPolarHBondContact O-CB 3.36Å; L9-V12 PolarHBondContact O-N 3.42Å; L9-V12 VanDerWaalsContact O-N 3.07Å; L9-V15 HydrophobicContact CD1-CG2 4.49Å; L9-V117 HydrophobicContact CD1-CG1 4Å; L9-W122 HydrophobicContact CD2-CG 4.49Å; L9-L128 HydrophobicContact CD2-CD2 3.39Å; L9-L147 HydrophobicContact CD1-CD2 3.56Å; L9-H150 HydrophobicContact CB-CB 4.47Å; L9-H150 HydrophobicContact CD1-CB 4.04Å
10A85.6Confident74.8Confident58 Ų5873.7 Ų73.748%0.47938%0.376SS..THydrogen-bonded Turntrans-62.5-29.9-175.200000113.4E6 G7E6-A10 HydrophobicContact CB-CB 3.73Å; G7-A10 WeakPolarHBondContact O-CB 3.35Å; G7-A10 PolarHBondContact O-N 2.61Å
11Q90.3Very high75.4Confident112 Ų11270.7 Ų70.752%0.52336%0.364SS..THydrogen-bonded Turntrans-96.17.5178.6-63.2-176.76.400113.3L9 G123 L125L9-Q11 PolarHBondContact O-N 2.76Å; Q11-G123 VanDerWaalsContact CB-O 3.31Å; Q11-G123 WeakPolarHBondContact CB-O 3.41Å; Q11-L125 PolarHBondContact O-N 2.92Å
12V94.7Very high77.9Confident15 Ų1562.6 Ų62.69%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-93.6118.4176.4-178.20000108.7L9 H14 V15 W122 L125 L128L9-V12 HydrophobicContact CB-CG2 4.42Å; L9-V12 HydrophobicContact CD2-CG2 3.99Å; L9-V12 WeakPolarHBondContact O-CB 3.36Å; L9-V12 PolarHBondContact O-N 3.42Å; L9-V12 VanDerWaalsContact O-N 3.07Å; V12-H14 WeakPolarHBondContact CG1-O 3.43Å; V12-V15 HydrophobicContact CB-CG2 4.48Å; V12-V15 HydrophobicContact CG1-CG2 3.85Å; V12-W122 HydrophobicContact CG2-CB 4.19Å; V12-W122 HydrophobicContact CG2-CG 4.49Å; V12-L125 HydrophobicContact CG1-CB 4.29Å; V12-L125 HydrophobicContact CG2-CB 4.23Å; V12-L125 HydrophobicContact CG2-CD1 4.16Å; V12-L125 HydrophobicContact CG2-CG 4.47Å; V12-L128 HydrophobicContact CG1-CB 3.57Å
13R95.1Very high80.4Confident171 Ų17157.5 Ų57.565%0.64531%0.307SS*.EExtended strand (participates in β ladder)trans-70.5-43.9-176.6-67.6179174.6172.5-7.3113.2L125 D126R13-L125 PolarHBondContact N-O 2.74Å; R13-D126 WeakPolarHBondContact CB-O 3.39Å; R13-D126 IonicContact CZ-OD1 3.79Å; R13-D126 IonicContact NE-OD1 3.86Å; R13-D126 IonicContact NH1-OD1 2.61Å; R13-D126 PolarHBondContact NH1-OD1 2.89Å
14H95.9Very high83Confident34 Ų3451.9 Ų51.916%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-132.3133.6178.8-58.8-68.1000111.8V12 D126 V127 L128 D153 L265V12-H14 WeakPolarHBondContact CG1-O 3.43Å; H14-D126 PolarHBondContact CD2-O 2.76Å; H14-D126 PolarHBondContact N-O 3.21Å; H14-V127 HydrophobicContact CB-CG2 4.49Å; H14-V127 CarbonylContact O-C 3.58Å; H14-V127 WeakPolarHBondContact O-CA 3.48Å; H14-L128 PolarHBondContact O-N 2.78Å; H14-D153 WeakPolarHBondContact CA-OD2 3.47Å; H14-D153 IonicContact CE1-OD1 3.59Å; H14-D153 IonicContact CG-OD1 3.96Å; H14-D153 IonicContact ND1-OD1 3.95Å; H14-D153 PolarHBondContact ND1-OD1 3.38Å; H14-D153 IonicContact ND1-OD2 2.76Å; H14-L265 HydrophobicContact CB-CD1 4.13Å; H14-L265 HydrophobicContact CB-CD2 4.35Å; H14-L265 PolarHBondContact CE1-O 3.24Å
15V95.8Very high85.6Confident3 Ų345.2 Ų45.22%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-114.3117.6172.8-177.50000109L9 V12 V130 L147 V152 D153L9-V15 HydrophobicContact CD1-CG2 4.49Å; V12-V15 HydrophobicContact CB-CG2 4.48Å; V12-V15 HydrophobicContact CG1-CG2 3.85Å; V15-V130 HydrophobicContact CG1-CG2 4.09Å; V15-L147 HydrophobicContact CG1-CD2 4.36Å; V15-V152 HydrophobicContact CG1-CG2 4.46Å; V15-D153 PolarHBondContact N-OD2 3.32Å; V15-D153 PolarHBondContact O-N 2.91Å
16V97Very high88.1Confident0 Ų038.5 Ų38.50%023%0.232CC..EExtended strand (participates in β ladder)trans-120.6123.4-176.4175.60000110.1V127 L128 L129 V130 G154 V156 L184 L265V16-V127 HydrophobicContact CG2-CG1 4.41Å; V16-L128 PolarHBondContact N-O 2.79Å; V16-L129 HydrophobicContact CB-CD2 4.01Å; V16-L129 HydrophobicContact CG1-CD2 4.07Å; V16-L129 CarbonylContact O-C 3.41Å; V16-L129 WeakPolarHBondContact O-CA 3.35Å; V16-V130 PolarHBondContact O-N 3.41Å; V16-G154 WeakPolarHBondContact CA-O 3.09Å; V16-V156 HydrophobicContact CG1-CG2 3.96Å; V16-L184 HydrophobicContact CB-CD1 4.4Å; V16-L184 HydrophobicContact CG1-CD1 3.84Å; V16-L184 HydrophobicContact CG2-CD1 3.8Å; V16-L265 HydrophobicContact CG2-CD1 4Å; V16-L265 HydrophobicContact CG2-CD2 3.87Å
17L95.9Very high90.2Very high1 Ų132.2 Ų32.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-82.5141173.9-52.8179.5000110.3L19 V130 L144 L147 V152 G154 A155 V156 V181L17-L19 HydrophobicContact CB-CD2 3.94Å; L17-L19 HydrophobicContact CB-CG 4.25Å; L17-L19 HydrophobicContact CD1-CD2 4.48Å; L17-V130 HydrophobicContact CD2-CB 3.8Å; L17-V130 HydrophobicContact CD2-CG1 4.24Å; L17-V130 HydrophobicContact CD2-CG2 4.06Å; L17-L144 HydrophobicContact CD1-CD2 3.35Å; L17-L147 HydrophobicContact CD2-CD1 3.5Å; L17-V152 HydrophobicContact CD1-CG1 4.09Å; L17-V152 HydrophobicContact CD2-CG1 4.5Å; L17-V152 HydrophobicContact CG-CG1 3.95Å; L17-G154 PolarHBondContact N-O 2.92Å; L17-A155 HydrophobicContact CB-CB 4.04Å; L17-A155 CarbonylContact O-C 3.6Å; L17-A155 VanDerWaalsContact O-CA 3.27Å; L17-A155 WeakPolarHBondContact O-CA 3.44Å; L17-V156 PolarHBondContact O-N 3.43Å; L17-V181 HydrophobicContact CD1-CG1 4.2Å
18V96.6Very high91.7Very high0 Ų031.6 Ų31.60%020%0.195CC..EExtended strand (participates in β ladder)trans-112.8107.6169.2-168.30000108.1K27 T31 L129 V130 T132 V156 V158V18-K27 HydrophobicContact CG1-CG 3.91Å; V18-K27 WeakPolarHBondContact O-CD 3.47Å; V18-T31 WeakPolarHBondContact CB-OG1 2.99Å; V18-T31 WeakPolarHBondContact CG1-OG1 3.49Å; V18-T31 HydrophobicContact CG2-CG2 4.13Å; V18-L129 HydrophobicContact CG2-CD2 4.3Å; V18-V130 PolarHBondContact N-O 2.93Å; V18-T132 PolarHBondContact O-N 3.36Å; V18-T132 PolarHBondContact O-OG1 2.92Å; V18-V156 WeakPolarHBondContact CA-O 3.36Å; V18-V158 HydrophobicContact CG1-CG2 3.67Å
19L94.8Very high92.5Very high1 Ų131.8 Ų31.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-108.1156.1-173.8-47.8179.4000111.2L17 T132 A155 V156 L157 V158 F175L17-L19 HydrophobicContact CB-CD2 3.94Å; L17-L19 HydrophobicContact CB-CG 4.25Å; L17-L19 HydrophobicContact CD1-CD2 4.48Å; L19-T132 HydrophobicContact CD2-CG2 3.64Å; L19-T132 VanDerWaalsContact CD2-OG1 3.23Å; L19-T132 WeakPolarHBondContact CD2-OG1 3.46Å; L19-A155 HydrophobicContact CD1-CB 3.74Å; L19-A155 HydrophobicContact CG-CB 4.06Å; L19-V156 PolarHBondContact N-O 3.41Å; L19-L157 HydrophobicContact CB-CD2 3.72Å; L19-L157 HydrophobicContact CD1-CD2 3.81Å; L19-L157 HydrophobicContact CG-CD2 4.16Å; L19-V158 PolarHBondContact O-N 3.04Å; L19-F175 HydrophobicContact CD1-CD1 4.48Å
20S93Very high93.1Very high2 Ų231.6 Ų31.61%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-148.4147.4170.863.40000111.3K22 K27 G135S20-K22 VanDerWaalsContact C-N 3.31Å; S20-K22 PolarHBondContact O-N 3.37Å; S20-K22 PolarHBondContact OG-O 3.38Å; S20-K27 WeakPolarHBondContact OG-CD 3.31Å; S20-G135 PolarHBondContact O-N 3.46Å
21G87.7Confident93.7Very high11 Ų1128.9 Ų28.911%0.11317%0.171CC..SBendtrans-75.6-17.4-179.200000114.5G135G21-G135 WeakPolarHBondContact O-CA 3.47Å
22K85.9Confident94Very high64 Ų6423.6 Ų23.628%0.27815%0.146SC..SBendtrans-156.6160.5-178.765173.9-174.6170.10111.6S20 V25 P134 S165S20-K22 VanDerWaalsContact C-N 3.31Å; S20-K22 PolarHBondContact O-N 3.37Å; S20-K22 PolarHBondContact OG-O 3.38Å; K22-V25 HydrophobicContact CD-CG1 4.27Å; K22-V25 VanDerWaalsContact CE-CG1 3.47Å; K22-V25 HydrophobicContact CG-CG1 3.68Å; K22-P134 VanDerWaalsContact C-CB 3.43Å; K22-S165 VanDerWaalsContact CE-CB 3.48Å; K22-S165 WeakPolarHBondContact CE-OG 3.49Å
23G86.1Confident94.2Very high52 Ų5223.1 Ų23.154%0.53614%0.143SC..THydrogen-bonded Turntrans-66.6155.6171.800000112.6V25G23-V25 PolarHBondContact O-N 2.84Å
24G87.7Confident94.3Very high71 Ų7115.1 Ų15.173%0.73211%0.113SC*.THydrogen-bonded Turntrans81.73.7173.400000116.2G26G24-G26 PolarHBondContact O-N 3.35Å
25V92.4Very high94.4Very high2 Ų213.5 Ų13.51%0.01211%0.106CC..SBendtrans-78.5-3.1174.1-59.40000113.7K22 G23 K27 V158 T160 N189K22-V25 HydrophobicContact CD-CG1 4.27Å; K22-V25 VanDerWaalsContact CE-CG1 3.47Å; K22-V25 HydrophobicContact CG-CG1 3.68Å; G23-V25 PolarHBondContact O-N 2.84Å; V25-K27 HydrophobicContact CG2-CB 4.34Å; V25-V158 HydrophobicContact CG2-CB 4.45Å; V25-V158 HydrophobicContact CG2-CG1 4.07Å; V25-T160 HydrophobicContact CB-CG2 3.91Å; V25-T160 HydrophobicContact CG1-CG2 4.05Å; V25-N189 WeakPolarHBondContact O-CB 3.14Å; V25-N189 PolarHBondContact O-ND2 3.01Å
26G94.1Very high94.5Very high15 Ų1513.7 Ų13.716%0.15511%0.107CC..  trans77.830.8-176.200000114.2G24 S28 T29 I30G24-G26 PolarHBondContact O-N 3.35Å; G26-S28 PolarHBondContact O-N 2.9Å; G26-T29 WeakPolarHBondContact O-CB 3.26Å; G26-T29 PolarHBondContact O-N 3.48Å; G26-I30 WeakPolarHBondContact O-CG1 3.43Å; G26-I30 PolarHBondContact O-N 2.99Å
27K95.5Very high94.5Very high10 Ų1014.3 Ų14.34%0.04311%0.111CC..Hα-helixtrans-49.8-56.1175.1-179.2-168.840.278.20112V18 S20 V25 T29 I30 T31 D51 D131 T132V18-K27 HydrophobicContact CG1-CG 3.91Å; V18-K27 WeakPolarHBondContact O-CD 3.47Å; S20-K27 WeakPolarHBondContact OG-CD 3.31Å; V25-K27 HydrophobicContact CG2-CB 4.34Å; K27-T29 VanDerWaalsContact C-N 3.29Å; K27-T29 PolarHBondContact O-N 2.77Å; K27-I30 CarbonylContact O-C 3.58Å; K27-I30 PolarHBondContact O-N 3.28Å; K27-T31 PolarHBondContact O-N 3.01Å; K27-T31 PolarHBondContact O-OG1 3.07Å; K27-T31 VanDerWaalsContact O-OG1 3.08Å; K27-D51 IonicContact NZ-OD2 2.87Å; K27-D51 PolarHBondContact NZ-OD2 2.92Å; K27-D131 WeakPolarHBondContact CD-OD1 3.24Å; K27-D131 WeakPolarHBondContact CG-OD1 3.3Å; K27-D131 IonicContact NZ-OD1 2.62Å; K27-D131 PolarHBondContact NZ-OD1 3.32Å; K27-D131 IonicContact NZ-OD2 2.96Å; K27-D131 PolarHBondContact NZ-OD2 2.57Å; K27-T132 WeakPolarHBondContact CD-O 3.42Å; K27-T132 WeakPolarHBondContact CE-O 3.48Å; K27-T132 PolarHBondContact NZ-O 2.91Å
28S95.9Very high94.5Very high10 Ų1014.3 Ų14.37%0.0711%0.111CC..Hα-helixtrans-64.4-31.5-178.6-47.90000113.2G26 T31 T32 S56 D131G26-S28 PolarHBondContact O-N 2.9Å; S28-T31 PolarHBondContact O-N 3.22Å; S28-T32 WeakPolarHBondContact O-CB 3.36Å; S28-T32 PolarHBondContact O-N 3.1Å; S28-T32 PolarHBondContact O-OG1 3.31Å; S28-S56 WeakPolarHBondContact CB-OG 3.18Å; S28-S56 PolarHBondContact OG-OG 3.29Å; S28-D131 VanDerWaalsContact CB-OD2 3.31Å; S28-D131 WeakPolarHBondContact CB-OD2 3.06Å; S28-D131 PolarHBondContact OG-OD2 3.3Å
29T96.8Very high94.6Very high27 Ų2716.4 Ų16.417%0.16612%0.12CC..Hα-helixtrans-61.8-50.9170-62.70000110.6G26 K27 T31 T32 E33 M60 I235G26-T29 WeakPolarHBondContact O-CB 3.26Å; G26-T29 PolarHBondContact O-N 3.48Å; K27-T29 VanDerWaalsContact C-N 3.29Å; K27-T29 PolarHBondContact O-N 2.77Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 2.63Å; T29-T32 PolarHBondContact O-N 2.88Å; T29-E33 HydrophobicContact CG2-CG 4.37Å; T29-E33 WeakPolarHBondContact O-CB 3.47Å; T29-E33 WeakPolarHBondContact O-CG 3.26Å; T29-E33 PolarHBondContact O-N 3.06Å; T29-M60 WeakPolarHBondContact OG1-CE 3.35Å; T29-I235 HydrophobicContact CG2-CD1 3.4Å
30I97.8Very high94.5Very high5 Ų520.1 Ų20.13%0.02614%0.137CC..Hα-helixtrans-61.9-41.7177.1-63.5-57.8000111G26 K27 T32 E33 L34 V158 V187 N189 V225G26-I30 WeakPolarHBondContact O-CG1 3.43Å; G26-I30 PolarHBondContact O-N 2.99Å; K27-I30 CarbonylContact O-C 3.58Å; K27-I30 PolarHBondContact O-N 3.28Å; I30-T32 VanDerWaalsContact C-N 3.33Å; I30-T32 PolarHBondContact O-N 3.5Å; I30-E33 PolarHBondContact O-N 3.11Å; I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.12Å; I30-L34 VanDerWaalsContact O-CB 3.32Å; I30-L34 WeakPolarHBondContact O-CB 3.1Å; I30-L34 WeakPolarHBondContact O-CG 3.39Å; I30-L34 PolarHBondContact O-N 2.87Å; I30-V158 HydrophobicContact CB-CG1 4.48Å; I30-V158 HydrophobicContact CB-CG2 4.07Å; I30-V158 HydrophobicContact CG1-CG1 3.95Å; I30-V158 HydrophobicContact CG1-CG2 4.38Å; I30-V158 HydrophobicContact CG2-CG2 3.94Å; I30-V187 HydrophobicContact CD1-CG1 4.12Å; I30-V187 HydrophobicContact CG1-CG1 4.33Å; I30-V187 HydrophobicContact CG2-CG1 4.21Å; I30-N189 HydrophobicContact CD1-CB 4.2Å; I30-N189 HydrophobicContact CG1-CB 4.15Å; I30-V225 HydrophobicContact CD1-CB 4.19Å; I30-V225 HydrophobicContact CD1-CG1 4.46Å; I30-V225 HydrophobicContact CD1-CG2 3.83Å
31T98.3Very high94.6Very high0 Ų022.4 Ų22.40%016%0.156CC..Hα-helixtrans-57.1-47.1175.1-54.70000111.5V18 K27 S28 T29 A35 I47 I57 L129 D131V18-T31 WeakPolarHBondContact CB-OG1 2.99Å; V18-T31 WeakPolarHBondContact CG1-OG1 3.49Å; V18-T31 HydrophobicContact CG2-CG2 4.13Å; K27-T31 PolarHBondContact O-N 3.01Å; K27-T31 PolarHBondContact O-OG1 3.07Å; K27-T31 VanDerWaalsContact O-OG1 3.08Å; S28-T31 PolarHBondContact O-N 3.22Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 2.63Å; T31-A35 WeakPolarHBondContact O-CB 3.27Å; T31-A35 PolarHBondContact O-N 3.48Å; T31-I47 HydrophobicContact CG2-CG2 4.09Å; T31-I57 HydrophobicContact CG2-CD1 4.03Å; T31-L129 HydrophobicContact CG2-CB 3.98Å; T31-D131 HydrophobicContact CG2-CB 4.04Å; T31-D131 PolarHBondContact OG1-OD1 3.21Å
32T97.6Very high95Very high1 Ų125 Ų251%0.00618%0.182CC..Hα-helixtrans-64.7-48.5-180-57.60000111.5S28 T29 I30 L34 A35 L36 M60 L61S28-T32 WeakPolarHBondContact O-CB 3.36Å; S28-T32 PolarHBondContact O-N 3.1Å; S28-T32 PolarHBondContact O-OG1 3.31Å; T29-T32 PolarHBondContact O-N 2.88Å; I30-T32 VanDerWaalsContact C-N 3.33Å; I30-T32 PolarHBondContact O-N 3.5Å; T32-L34 PolarHBondContact O-N 2.83Å; T32-A35 WeakPolarHBondContact O-CB 3.39Å; T32-A35 PolarHBondContact O-N 2.7Å; T32-A35 VanDerWaalsContact O-N 3.15Å; T32-L36 HydrophobicContact CG2-CD1 4.17Å; T32-L36 WeakPolarHBondContact O-CG 3.42Å; T32-L36 PolarHBondContact O-N 2.93Å; T32-M60 HydrophobicContact CG2-CB 4.28Å; T32-L61 HydrophobicContact CG2-CD2 3.71Å; T32-L61 HydrophobicContact CG2-CG 4.11Å
33E97.9Very high95.5Very high6 Ų624.5 Ų24.53%0.02818%0.18CC..Hα-helixtrans-66.4-36.5-179.3-70.1-54.2125.700112.6T29 I30 A35 A37 L231 I254T29-E33 HydrophobicContact CG2-CG 4.37Å; T29-E33 WeakPolarHBondContact O-CB 3.47Å; T29-E33 WeakPolarHBondContact O-CG 3.26Å; T29-E33 PolarHBondContact O-N 3.06Å; I30-E33 PolarHBondContact O-N 3.11Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A37 VanDerWaalsContact O-CB 3.28Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.28Å; E33-L231 HydrophobicContact CG-CD1 4Å; E33-I254 HydrophobicContact CB-CD1 3.99Å; E33-I254 HydrophobicContact CB-CG1 4.45Å; E33-I254 HydrophobicContact CB-CG2 4Å; E33-I254 HydrophobicContact CG-CD1 3.97Å
34L98.2Very high96.1Very high3 Ų326.3 Ų26.32%0.01617%0.173CC..Hα-helixtrans-63.3-42.3171.7-72.8175.9000111.4I30 T32 A37 L38 L129 I257 L261I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.12Å; I30-L34 VanDerWaalsContact O-CB 3.32Å; I30-L34 WeakPolarHBondContact O-CB 3.1Å; I30-L34 WeakPolarHBondContact O-CG 3.39Å; I30-L34 PolarHBondContact O-N 2.87Å; T32-L34 PolarHBondContact O-N 2.83Å; L34-A37 PolarHBondContact O-N 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.36Å; L34-L129 HydrophobicContact CB-CD1 4.06Å; L34-I257 HydrophobicContact CD2-CG2 3.74Å; L34-L261 HydrophobicContact CD1-CD2 4.32Å
35A98.1Very high96.6Very high0 Ų022.9 Ų22.90%014%0.138CC..Hα-helixtrans-62.5-46178.600000111.8T31 T32 E33 L38 R39 V45 I47 L86 L129T31-A35 WeakPolarHBondContact O-CB 3.27Å; T31-A35 PolarHBondContact O-N 3.48Å; T32-A35 WeakPolarHBondContact O-CB 3.39Å; T32-A35 PolarHBondContact O-N 2.7Å; T32-A35 VanDerWaalsContact O-N 3.15Å; E33-A35 VanDerWaalsContact C-N 3.35Å; A35-L38 PolarHBondContact O-N 3.24Å; A35-R39 WeakPolarHBondContact O-CB 3.36Å; A35-R39 PolarHBondContact O-N 3.45Å; A35-V45 HydrophobicContact CB-CG1 3.89Å; A35-I47 HydrophobicContact CB-CD1 3.49Å; A35-I47 VanDerWaalsContact CB-CD1 3.49Å; A35-I47 HydrophobicContact CB-CG1 3.72Å; A35-L86 HydrophobicContact CB-CD1 4.04Å; A35-L129 HydrophobicContact CB-CD1 3.73Å
36L96.9Very high96.8Very high7 Ų722.8 Ų22.84%0.03714%0.138CC..Hα-helixtrans-63.2-44.6176.8-67.1173.1000111.3T32 L38 R39 H40 L61 L86T32-L36 HydrophobicContact CG2-CD1 4.17Å; T32-L36 WeakPolarHBondContact O-CG 3.42Å; T32-L36 PolarHBondContact O-N 2.93Å; L36-L38 PolarHBondContact O-N 3.41Å; L36-R39 WeakPolarHBondContact O-CB 3.28Å; L36-R39 PolarHBondContact O-N 2.99Å; L36-H40 PolarHBondContact O-CD2 3.2Å; L36-H40 PolarHBondContact O-N 3.4Å; L36-L61 HydrophobicContact CD2-CD2 4.23Å; L36-L86 HydrophobicContact CD2-CD2 4Å
37A97.1Very high97Very high12 Ų1222.1 Ų22.110%0.09913%0.13CC..Hα-helixtrans-62.1-43.3176.700000112.7E33 L34 H40 A41 I254E33-A37 VanDerWaalsContact O-CB 3.28Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.28Å; L34-A37 PolarHBondContact O-N 3.26Å; A37-H40 PolarHBondContact O-N 3.43Å; A37-A41 PolarHBondContact O-N 3.24Å; A37-I254 HydrophobicContact CB-CG2 4.04Å
38L97.2Very high97Very high1 Ų121.7 Ų21.71%0.00513%0.128CC..Hα-helixtrans-64.5-39.7175.6-73.1170.7000111.7L34 A35 L36 A41 G42 K43 V45 V127 L129 S258 L262L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.36Å; A35-L38 PolarHBondContact O-N 3.24Å; L36-L38 PolarHBondContact O-N 3.41Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CA 3.29Å; L38-A41 WeakPolarHBondContact O-CB 3.5Å; L38-A41 PolarHBondContact O-N 3.31Å; L38-A41 VanDerWaalsContact O-N 3.16Å; L38-G42 PolarHBondContact O-N 3.04Å; L38-K43 HydrophobicContact CB-CB 4.41Å; L38-K43 VanDerWaalsContact O-CB 3.27Å; L38-K43 WeakPolarHBondContact O-CB 3.48Å; L38-K43 WeakPolarHBondContact O-CG 3.47Å; L38-K43 PolarHBondContact O-N 3.34Å; L38-K43 VanDerWaalsContact O-N 3.1Å; L38-V45 HydrophobicContact CB-CG2 3.68Å; L38-V127 HydrophobicContact CD1-CB 4.23Å; L38-V127 HydrophobicContact CD1-CG1 4.05Å; L38-V127 HydrophobicContact CD1-CG2 4.25Å; L38-L129 HydrophobicContact CD1-CD1 4.38Å; L38-S258 WeakPolarHBondContact CD2-OG 3.48Å; L38-S258 WeakPolarHBondContact CG-OG 3.45Å; L38-L262 HydrophobicContact CD2-CB 4.08Å; L38-L262 HydrophobicContact CD2-CD1 4.22Å; L38-L262 HydrophobicContact CD2-CD2 4.42Å; L38-L262 HydrophobicContact CD2-CG 4.47Å
39R96.6Very high96.9Very high45 Ų4521.2 Ų21.217%0.1713%0.125CC..Hα-helixtrans-60.5-45.4173.5-178.2-173.374.7-179.42.3111.7A35 L36 A41 G42 V45 D81 S85 D240A35-R39 WeakPolarHBondContact O-CB 3.36Å; A35-R39 PolarHBondContact O-N 3.45Å; L36-R39 WeakPolarHBondContact O-CB 3.28Å; L36-R39 PolarHBondContact O-N 2.99Å; R39-A41 PolarHBondContact O-N 2.88Å; R39-G42 WeakPolarHBondContact O-CA 3.48Å; R39-G42 PolarHBondContact O-N 3.16Å; R39-V45 HydrophobicContact CB-CG2 4.47Å; R39-D81 IonicContact NH1-OD2 2.66Å; R39-S85 VanDerWaalsContact CD-OG 3.31Å; R39-S85 WeakPolarHBondContact CD-OG 3.46Å; R39-S85 WeakPolarHBondContact CG-OG 3.31Å; R39-D240 IonicContact CZ-OD2 3.03Å; R39-D240 IonicContact NH2-OD2 2.82Å; R39-D240 PolarHBondContact NH2-OD2 3.05Å
40H94.3Very high96.6Very high79 Ų7920 Ų2037%0.36612%0.118SC..Hα-helixtrans-62.4-29.1175.1-73-49.5000112.7L36 A37 G42 D240L36-H40 PolarHBondContact O-CD2 3.2Å; L36-H40 PolarHBondContact O-N 3.4Å; A37-H40 PolarHBondContact O-N 3.43Å; H40-G42 PolarHBondContact O-N 2.9Å; H40-D240 IonicContact CD2-OD2 2.73Å; H40-D240 IonicContact CE1-OD1 3.87Å; H40-D240 IonicContact CE1-OD2 3.16Å; H40-D240 PolarHBondContact CE1-OD2 3.16Å; H40-D240 VanDerWaalsContact NE2-CG 3.25Å; H40-D240 IonicContact NE2-OD1 2.7Å; H40-D240 PolarHBondContact NE2-OD1 2.85Å; H40-D240 IonicContact NE2-OD2 3.87Å; H40-D240 PolarHBondContact NE2-OD2 3.44Å
41A94.8Very high95.9Very high50 Ų5020.4 Ų20.441%0.41312%0.12SC..THydrogen-bonded Turntrans-77.110.8169.700000113.8A37 L38 R39A37-A41 PolarHBondContact O-N 3.24Å; L38-A41 CarbonylContact O-C 3.57Å; L38-A41 WeakPolarHBondContact O-CA 3.29Å; L38-A41 WeakPolarHBondContact O-CB 3.5Å; L38-A41 PolarHBondContact O-N 3.31Å; L38-A41 VanDerWaalsContact O-N 3.16Å; R39-A41 PolarHBondContact O-N 2.88Å
42G95.3Very high94.8Very high65 Ų6520.5 Ų20.567%0.6712%0.121SC*.THydrogen-bonded Turntrans79.618.317500000114.8L38 R39 H40L38-G42 PolarHBondContact O-N 3.04Å; R39-G42 WeakPolarHBondContact O-CA 3.48Å; R39-G42 PolarHBondContact O-N 3.16Å; H40-G42 PolarHBondContact O-N 2.9Å
43K97.2Very high93.4Very high53 Ų5325.1 Ų25.123%0.2315%0.152CC..  trans-88.6144.5178-55.1-55178.1-177.20111.6L38 V45 D126L38-K43 HydrophobicContact CB-CB 4.41Å; L38-K43 VanDerWaalsContact O-CB 3.27Å; L38-K43 WeakPolarHBondContact O-CB 3.48Å; L38-K43 WeakPolarHBondContact O-CG 3.47Å; L38-K43 PolarHBondContact O-N 3.34Å; L38-K43 VanDerWaalsContact O-N 3.1Å; K43-V45 HydrophobicContact CB-CG2 4.01Å; K43-D126 WeakPolarHBondContact CA-OD2 3.41Å; K43-D126 HydrophobicContact CB-CB 4.02Å; K43-D126 HydrophobicContact CD-CB 4.12Å
44K97.8Very high92.2Very high90 Ų9026.7 Ų26.739%0.39117%0.169SC..  trans-79.2118.1163.4-67.3-176.7-176175.20108.6E124 L125 D126 V127K44-E124 VanDerWaalsContact CD-O 3.24Å; K44-E124 WeakPolarHBondContact CD-O 3.41Å; K44-E124 IonicContact NZ-OE2 4Å; K44-E124 PolarHBondContact NZ-OE2 3.1Å; K44-E124 VanDerWaalsContact NZ-OE2 3.16Å; K44-L125 HydrophobicContact CB-CD2 4.27Å; K44-D126 PolarHBondContact N-OD2 3.04Å; K44-D126 PolarHBondContact O-N 3.35Å; K44-V127 PolarHBondContact O-N 3.24Å
45V98.3Very high91.1Very high0 Ų028 Ų280%018%0.178CC..EExtended strand (participates in β ladder)trans-119.5137.2-171.3-172.90000110.9A35 L38 R39 K43 S85 L86 A87 V127 L129A35-V45 HydrophobicContact CB-CG1 3.89Å; L38-V45 HydrophobicContact CB-CG2 3.68Å; R39-V45 HydrophobicContact CB-CG2 4.47Å; K43-V45 HydrophobicContact CB-CG2 4.01Å; V45-S85 PolarHBondContact N-O 3.05Å; V45-L86 HydrophobicContact CB-CD1 4.01Å; V45-L86 HydrophobicContact CG1-CD1 4.13Å; V45-L86 WeakPolarHBondContact O-CA 3.41Å; V45-A87 PolarHBondContact O-N 2.89Å; V45-V127 CarbonylContact C-O 3.48Å; V45-V127 WeakPolarHBondContact CA-O 3.4Å; V45-L129 HydrophobicContact CG1-CD1 4.35Å
46G98.1Very high90.6Very high0 Ų029.5 Ų29.50%019%0.189CC..EExtended strand (participates in β ladder)trans-109.5147.4166.300000110.9A87 V127 L128 L129G46-A87 CarbonylContact C-O 3.52Å; G46-A87 VanDerWaalsContact CA-O 3.31Å; G46-A87 WeakPolarHBondContact CA-O 3.44Å; G46-V127 PolarHBondContact N-O 3.24Å; G46-L128 WeakPolarHBondContact O-CA 3.3Å; G46-L129 PolarHBondContact O-N 3.1Å
47I98.1Very high90.5Very high0 Ų029.2 Ų29.20%019%0.187CC..EExtended strand (participates in β ladder)trans-120.7122.4165.3-55.1173.3000108.4T31 A35 I57 L61 L86 A87 L88 M89 W122 L129T31-I47 HydrophobicContact CG2-CG2 4.09Å; A35-I47 HydrophobicContact CB-CD1 3.49Å; A35-I47 VanDerWaalsContact CB-CD1 3.49Å; A35-I47 HydrophobicContact CB-CG1 3.72Å; I47-I57 HydrophobicContact CD1-CG2 4.08Å; I47-I57 HydrophobicContact CG2-CD1 3.61Å; I47-I57 HydrophobicContact CG2-CG2 4.21Å; I47-L61 HydrophobicContact CD1-CD1 4.02Å; I47-L86 HydrophobicContact CD1-CD1 4.11Å; I47-L86 HydrophobicContact CG1-CD1 4.11Å; I47-A87 PolarHBondContact N-O 3.28Å; I47-L88 HydrophobicContact CB-CD1 3.91Å; I47-L88 HydrophobicContact CG2-CD1 4Å; I47-L88 WeakPolarHBondContact O-CA 3.41Å; I47-M89 PolarHBondContact O-N 2.9Å; I47-W122 WeakPolarHBondContact O-CH2 3.22Å; I47-L129 CarbonylContact C-O 3.56Å; I47-L129 WeakPolarHBondContact CA-O 3.38Å
48L95.6Very high90.3Very high1 Ų129.2 Ų29.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-102.7105.5167.5175.355.4000109.1V50 M89 F116 V117 W122 L128 L129 V130 D131L48-V50 HydrophobicContact CD1-CG1 3.84Å; L48-V50 HydrophobicContact CD2-CG1 4.28Å; L48-V50 HydrophobicContact CG-CG1 3.85Å; L48-M89 WeakPolarHBondContact CA-O 3.38Å; L48-M89 HydrophobicContact CD1-CB 4.16Å; L48-M89 HydrophobicContact CD1-CG 4.31Å; L48-F116 HydrophobicContact CD1-CB 3.76Å; L48-F116 HydrophobicContact CD1-CD2 3.99Å; L48-F116 HydrophobicContact CD1-CG 4.18Å; L48-V117 HydrophobicContact CD2-CG2 4.12Å; L48-W122 HydrophobicContact CB-CH2 4.1Å; L48-W122 HydrophobicContact CB-CZ2 3.88Å; L48-W122 HydrophobicContact CD1-CZ2 4.27Å; L48-W122 HydrophobicContact CG-CZ2 4.47Å; L48-L128 HydrophobicContact CB-CD1 4.15Å; L48-L129 PolarHBondContact N-O 2.88Å; L48-V130 HydrophobicContact CB-CG1 4.4Å; L48-V130 HydrophobicContact CB-CG2 4.37Å; L48-V130 HydrophobicContact CD2-CG1 4.22Å; L48-V130 HydrophobicContact CD2-CG2 4.49Å; L48-V130 HydrophobicContact CG-CG1 4.29Å; L48-V130 CarbonylContact O-C 3.58Å; L48-V130 WeakPolarHBondContact O-CA 3.45Å; L48-D131 PolarHBondContact O-N 2.77Å
49D93.8Very high89.9Confident0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-92.8104.1176.6174.721000110.6D51 P55 I57 L88 M89 S90 I91D49-D51 PolarHBondContact OD1-N 3.44Å; D49-P55 WeakPolarHBondContact OD2-CB 3.35Å; D49-I57 HydrophobicContact CB-CB 4.36Å; D49-I57 HydrophobicContact CB-CD1 4.22Å; D49-I57 HydrophobicContact CB-CG1 4.46Å; D49-L88 HydrophobicContact CB-CD1 4.42Å; D49-M89 PolarHBondContact N-O 3.08Å; D49-S90 WeakPolarHBondContact O-CA 3.17Å; D49-S90 PolarHBondContact OD2-OG 3.36Å; D49-I91 PolarHBondContact O-N 3.42Å; D49-I91 VanDerWaalsContact O-N 3.12Å
50V88.8Confident89.8Confident1 Ų137.3 Ų37.31%0.00622%0.218CC..  trans-112.615.7178.8-71.70000111.7L48 L52 I113 F116 V130 D131 P133 V143L48-V50 HydrophobicContact CD1-CG1 3.84Å; L48-V50 HydrophobicContact CD2-CG1 4.28Å; L48-V50 HydrophobicContact CG-CG1 3.85Å; V50-L52 VanDerWaalsContact C-N 3.28Å; V50-L52 PolarHBondContact O-N 3.06Å; V50-I113 HydrophobicContact CB-CG1 4.47Å; V50-I113 HydrophobicContact CG1-CG1 4.37Å; V50-F116 HydrophobicContact CG1-CD2 4.08Å; V50-V130 HydrophobicContact CG2-CG1 3.98Å; V50-D131 WeakPolarHBondContact CG2-O 3.17Å; V50-D131 PolarHBondContact N-O 3.26Å; V50-D131 VanDerWaalsContact N-O 3.1Å; V50-P133 WeakPolarHBondContact O-CG 3.2Å; V50-V143 HydrophobicContact CB-CG2 4.48Å; V50-V143 HydrophobicContact CG2-CG2 3.83Å
51D84.9Confident89.8Confident15 Ų1534.7 Ų34.78%0.0821%0.207CC..  trans-77.579175-161.6-14.2000111K27 D49 C53 G54 P55K27-D51 IonicContact NZ-OD2 2.87Å; K27-D51 PolarHBondContact NZ-OD2 2.92Å; D49-D51 PolarHBondContact OD1-N 3.44Å; D51-C53 PolarHBondContact O-N 3.44Å; D51-C53 VanDerWaalsContact O-N 3.07Å; D51-G54 CarbonylContact O-C 3.48Å; D51-G54 PolarHBondContact O-N 2.86Å; D51-P55 WeakPolarHBondContact O-CD 3.41Å
52L73.5Confident89.7Confident2 Ų235.7 Ų35.71%0.0121%0.211CC..THydrogen-bonded Turntrans-50.7-27.8179.4-84.3153.5000115.5V50 G54 I91 V102 W104 K109 I113 E139V50-L52 VanDerWaalsContact C-N 3.28Å; V50-L52 PolarHBondContact O-N 3.06Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-I91 HydrophobicContact CD1-CD1 4.49Å; L52-I91 HydrophobicContact CD2-CD1 3.15Å; L52-I91 HydrophobicContact CD2-CG1 3.95Å; L52-I91 HydrophobicContact CG-CD1 3.64Å; L52-V102 HydrophobicContact CD2-CG1 4.11Å; L52-W104 HydrophobicContact CD2-CE3 3.99Å; L52-W104 HydrophobicContact CD2-CZ3 4.11Å; L52-K109 HydrophobicContact CD1-CB 3.86Å; L52-K109 HydrophobicContact CD1-CD 3.84Å; L52-K109 HydrophobicContact CD1-CG 3.82Å; L52-K109 HydrophobicContact CD2-CD 4.5Å; L52-K109 HydrophobicContact CD2-CG 4.11Å; L52-I113 HydrophobicContact CD1-CD1 4.14Å; L52-E139 HydrophobicContact CD1-CG 4.46Å
53C68.3Low89.4Confident98 Ų9834 Ų3466%0.66219%0.187SC*.THydrogen-bonded Turntrans-83-13.5-172.8-69.20000112.5D51D51-C53 PolarHBondContact O-N 3.44Å; D51-C53 VanDerWaalsContact O-N 3.07Å
54G72.6Confident88.7Confident38 Ų3834 Ų3439%0.39220%0.202SC..  trans178.771.4-179.100000111.4D51 L52 S56D51-G54 CarbonylContact O-C 3.48Å; D51-G54 PolarHBondContact O-N 2.86Å; L52-G54 VanDerWaalsContact C-N 3.32Å; G54-S56 PolarHBondContact O-N 2.86Å
55P76.4Confident87.7Confident31 Ų3137.4 Ų37.420%0.20121%0.212CC..  trans-62108.6-18026.1-33.5000109D49 D51 I91 M95D49-P55 WeakPolarHBondContact OD2-CB 3.35Å; D51-P55 WeakPolarHBondContact O-CD 3.41Å; P55-I91 HydrophobicContact CB-CG2 3.87Å; P55-I91 HydrophobicContact CG-CG2 4.11Å; P55-M95 HydrophobicContact CG-SD 3.81Å
56S86.6Confident86.9Confident32 Ų3239.4 Ų39.422%0.22423%0.225CC..  trans-105.8-25.8-171.261.10000112.4S28 G54 R59 M60S28-S56 WeakPolarHBondContact CB-OG 3.18Å; S28-S56 PolarHBondContact OG-OG 3.29Å; G54-S56 PolarHBondContact O-N 2.86Å; S56-R59 WeakPolarHBondContact O-CB 3.02Å; S56-R59 PolarHBondContact O-N 3.36Å; S56-R59 VanDerWaalsContact O-N 3.07Å; S56-M60 WeakPolarHBondContact O-CG 3.27Å; S56-M60 PolarHBondContact O-N 3.21Å; S56-M60 WeakPolarHBondContact OG-CE 3.47Å
57I94.9Very high86.2Confident0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-61-40.3-173.7-57.3-169.5000113.1T31 I47 D49 R59 M60 L61 L88 D131T31-I57 HydrophobicContact CG2-CD1 4.03Å; I47-I57 HydrophobicContact CD1-CG2 4.08Å; I47-I57 HydrophobicContact CG2-CD1 3.61Å; I47-I57 HydrophobicContact CG2-CG2 4.21Å; D49-I57 HydrophobicContact CB-CB 4.36Å; D49-I57 HydrophobicContact CB-CD1 4.22Å; D49-I57 HydrophobicContact CB-CG1 4.46Å; I57-R59 PolarHBondContact O-N 3.35Å; I57-M60 PolarHBondContact O-N 2.98Å; I57-M60 VanDerWaalsContact O-N 3.13Å; I57-L61 HydrophobicContact CG2-CD1 3.78Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; I57-L61 PolarHBondContact O-N 2.97Å; I57-L88 HydrophobicContact CB-CD1 4.39Å; I57-L88 HydrophobicContact CG2-CD1 3.74Å; I57-L88 HydrophobicContact CG2-CD2 4.24Å; I57-D131 HydrophobicContact CD1-CB 3.74Å
58P92.7Very high85.7Confident13 Ų1348 Ų488%0.08427%0.267CS..Hα-helixtrans-54.6-39.5174.2-29.937.1000113.8S62 V63 L88 S90 F93P58-S62 PolarHBondContact O-N 2.94Å; P58-V63 HydrophobicContact CB-CG2 3.91Å; P58-V63 WeakPolarHBondContact O-CG2 3.4Å; P58-V63 PolarHBondContact O-N 2.81Å; P58-L88 HydrophobicContact CG-CD2 4.27Å; P58-S90 VanDerWaalsContact CG-CB 3.41Å; P58-S90 VanDerWaalsContact CG-OG 3.26Å; P58-S90 WeakPolarHBondContact CG-OG 3.23Å; P58-F93 HydrophobicContact CB-CD1 4.49Å; P58-F93 HydrophobicContact CB-CE1 3.79Å; P58-F93 HydrophobicContact CB-CZ 4.41Å; P58-F93 HydrophobicContact CG-CD1 4.4Å; P58-F93 HydrophobicContact CG-CE1 3.88Å; P58-F93 HydrophobicContact CG-CZ 4.24Å
59R90.4Very high85.3Confident188 Ų18853.7 Ų53.771%0.70929%0.293SS*.Hα-helixtrans-72.7-44176.5-178.9177.5175.5164.3-1.9111.3S56 I57 L61 S62S56-R59 WeakPolarHBondContact O-CB 3.02Å; S56-R59 PolarHBondContact O-N 3.36Å; S56-R59 VanDerWaalsContact O-N 3.07Å; I57-R59 PolarHBondContact O-N 3.35Å; R59-L61 PolarHBondContact O-N 3.48Å; R59-S62 PolarHBondContact O-N 3.22Å
60M93.8Very high85.1Confident28 Ų2860.1 Ų60.114%0.13832%0.323CS..Hα-helixtrans-60.5-26.4179-62.3-174.5172.700113.1T29 T32 S56 I57 I235 G238T29-M60 WeakPolarHBondContact OG1-CE 3.35Å; T32-M60 HydrophobicContact CG2-CB 4.28Å; S56-M60 WeakPolarHBondContact O-CG 3.27Å; S56-M60 PolarHBondContact O-N 3.21Å; S56-M60 WeakPolarHBondContact OG-CE 3.47Å; I57-M60 PolarHBondContact O-N 2.98Å; I57-M60 VanDerWaalsContact O-N 3.13Å; M60-I235 HydrophobicContact CB-CG2 3.89Å; M60-I235 HydrophobicContact CE-CG2 4.25Å; M60-I235 HydrophobicContact CG-CG2 3.48Å; M60-I235 VanDerWaalsContact CG-CG2 3.48Å; M60-I235 HydrophobicContact SD-CG2 4.04Å; M60-G238 VanDerWaalsContact O-CA 3.23Å; M60-G238 WeakPolarHBondContact O-CA 3.49Å
61L94.3Very high85.1Confident24 Ų2462.9 Ų62.913%0.12634%0.342CS..THydrogen-bonded Turntrans-100.65.3177.4-66.8175.9000113.7T32 L36 I47 I57 R59 V63 T80 L86 L88T32-L61 HydrophobicContact CG2-CD2 3.71Å; T32-L61 HydrophobicContact CG2-CG 4.11Å; L36-L61 HydrophobicContact CD2-CD2 4.23Å; I47-L61 HydrophobicContact CD1-CD1 4.02Å; I57-L61 HydrophobicContact CG2-CD1 3.78Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; I57-L61 PolarHBondContact O-N 2.97Å; R59-L61 PolarHBondContact O-N 3.48Å; L61-V63 HydrophobicContact CB-CG1 4.01Å; L61-V63 PolarHBondContact O-N 3.37Å; L61-V63 VanDerWaalsContact O-N 3.11Å; L61-T80 HydrophobicContact CB-CG2 4.44Å; L61-T80 HydrophobicContact CD1-CG2 4.08Å; L61-L86 HydrophobicContact CD1-CD2 4.16Å; L61-L86 HydrophobicContact CD2-CD2 4.23Å; L61-L88 HydrophobicContact CD1-CD2 4.21Å
62S92.4Very high85.2Confident71 Ų7170.8 Ų70.850%0.49738%0.384SS..THydrogen-bonded Turntrans51.133.8-178.8-810000114.2P58 R59 G64 E237 G238P58-S62 PolarHBondContact O-N 2.94Å; R59-S62 PolarHBondContact O-N 3.22Å; S62-G64 VanDerWaalsContact C-N 3.28Å; S62-G64 PolarHBondContact O-N 3.2Å; S62-E237 PolarHBondContact OG-O 3.01Å; S62-E237 VanDerWaalsContact OG-O 3.08Å; S62-G238 VanDerWaalsContact OG-CA 3.24Å; S62-G238 WeakPolarHBondContact OG-CA 3.47Å; S62-G238 PolarHBondContact OG-N 3.07Å
63V88.7Confident85.7Confident29 Ų2975.3 Ų75.318%0.17642%0.416CS..  trans-82.2-2.1-176.9-68.30000114P58 L61 P66 V78 T80 L88 F93P58-V63 HydrophobicContact CB-CG2 3.91Å; P58-V63 WeakPolarHBondContact O-CG2 3.4Å; P58-V63 PolarHBondContact O-N 2.81Å; L61-V63 HydrophobicContact CB-CG1 4.01Å; L61-V63 PolarHBondContact O-N 3.37Å; L61-V63 VanDerWaalsContact O-N 3.11Å; V63-P66 WeakPolarHBondContact O-CD 3.38Å; V63-V78 HydrophobicContact CB-CG1 4.25Å; V63-V78 HydrophobicContact CG1-CG1 4.34Å; V63-T80 HydrophobicContact CG1-CG2 3.73Å; V63-L88 HydrophobicContact CG2-CD2 3.84Å; V63-F93 HydrophobicContact CG2-CE1 3.92Å; V63-F93 HydrophobicContact CG2-CZ 4Å
64G82.2Confident86.7Confident52 Ų5271.5 Ų71.554%0.53639%0.393SS..  trans66.4-144.6-17900000113S62 P66S62-G64 VanDerWaalsContact C-N 3.28Å; S62-G64 PolarHBondContact O-N 3.2Å; G64-P66 VanDerWaalsContact C-CD 3.5Å
65R76.8Confident87.6Confident163 Ų16371.7 Ų71.762%0.61538%0.382SS*.  trans-123.172.8175.3-62-168.2-158.9172.812110.4E96R65-E96 PolarHBondContact NH1-O 3.42Å; R65-E96 VanDerWaalsContact NH1-O 3.13Å
66P83Confident88.5Confident41 Ų4172.6 Ų72.627%0.26639%0.387SS..  trans-67.9145.1176.530.6-34.1000109.6V63 G64 V68 V78 F93V63-P66 WeakPolarHBondContact O-CD 3.38Å; G64-P66 VanDerWaalsContact C-CD 3.5Å; P66-V68 PolarHBondContact O-N 2.97Å; P66-V78 HydrophobicContact CB-CG2 4.14Å; P66-V78 HydrophobicContact CG-CB 4.25Å; P66-V78 HydrophobicContact CG-CG1 3.84Å; P66-V78 HydrophobicContact CG-CG2 3.38Å; P66-F93 HydrophobicContact CG-CD1 4.15Å; P66-F93 HydrophobicContact CG-CE1 3.96Å; P66-F93 HydrophobicContact CG-CZ 4.34Å
67E82.9Confident88.8Confident158 Ų15871.2 Ų71.274%0.73838%0.377SS*.  trans-66.6127.6165.3-69.5-174.7170.600108.6H69E67-H69 PolarHBondContact O-N 3.14Å
68V86.4Confident88.9Confident23 Ų2372.3 Ų72.314%0.13938%0.384CS..  trans-76.4112.4174.4-163.70000108.5P66 W75 M89 F93 L94P66-V68 PolarHBondContact O-N 2.97Å; V68-W75 HydrophobicContact CB-CE3 3.85Å; V68-W75 HydrophobicContact CB-CZ3 4.06Å; V68-W75 HydrophobicContact CG1-CB 4.34Å; V68-W75 HydrophobicContact CG1-CD2 4.48Å; V68-W75 HydrophobicContact CG1-CE3 3.51Å; V68-W75 HydrophobicContact CG1-CZ3 4.23Å; V68-M89 HydrophobicContact CG1-CE 3.57Å; V68-M89 HydrophobicContact CG1-SD 4.02Å; V68-F93 HydrophobicContact CG2-CB 3.37Å; V68-F93 HydrophobicContact CG2-CD2 4Å; V68-F93 HydrophobicContact CG2-CG 4.05Å; V68-L94 HydrophobicContact CG2-CD2 4.12Å
69H88.8Confident89Confident120 Ų12075 Ų7556%0.55639%0.393SS*.  trans-80.7154179.4-58.3-57.1000111.5E67 V76E67-H69 PolarHBondContact O-N 3.14Å; H69-V76 HydrophobicContact CB-CB 4.5Å; H69-V76 PolarHBondContact O-N 2.91Å
70Q89.8Confident89.1Confident136 Ų13668 Ų6864%0.63637%0.371SS*.EExtended strand (participates in β ladder)trans-111.7144.5170.9-70.2-178.3-4.400110.1G74 W75Q70-G74 WeakPolarHBondContact CA-O 3.45Å; Q70-W75 HydrophobicContact CG-CD2 4.19Å; Q70-W75 HydrophobicContact CG-CE3 4.29Å; Q70-W75 HydrophobicContact CG-CG 4.48Å; Q70-W75 VanDerWaalsContact NE2-CZ2 3.35Å
71C87.4Confident88.8Confident58 Ų5868.2 Ų68.239%0.39237%0.373SS..EExtended strand (participates in β ladder)trans-128.9179171.169.90000109.5S73 G74 V76C71-S73 PolarHBondContact O-N 3.37Å; C71-S73 VanDerWaalsContact O-N 3.09Å; C71-G74 PolarHBondContact N-O 2.82Å; C71-G74 PolarHBondContact O-N 2.91Å; C71-G74 PolarHBondContact SG-O 2.97Å; C71-V76 HydrophobicContact CB-CG2 3.98Å
72D86.9Confident88.5Confident181 Ų18171.6 Ų71.697%0.96840%0.404SS*.THydrogen-bonded Turntrans-59-25.1179.7-62.5-19.1000113.1
73S83.9Confident88.5Confident97 Ų9775.7 Ų75.768%0.67842%0.415SS*.THydrogen-bonded Turntrans-91.80.6177.9-50.50000113.9C71C71-S73 PolarHBondContact O-N 3.37Å; C71-S73 VanDerWaalsContact O-N 3.09Å
74G90.2Very high88.7Confident18 Ų1880.3 Ų80.319%0.18643%0.433CS..EExtended strand (participates in β ladder)trans113.7-153.5179.300000114.2Q70 C71 D119Q70-G74 WeakPolarHBondContact CA-O 3.45Å; C71-G74 PolarHBondContact N-O 2.82Å; C71-G74 PolarHBondContact O-N 2.91Å; C71-G74 PolarHBondContact SG-O 2.97Å; G74-D119 CarbonylContact C-O 3.41Å; G74-D119 WeakPolarHBondContact CA-O 3.19Å
75W92.1Very high89.4Confident43 Ų4379.2 Ų79.216%0.16342%0.417CS..EExtended strand (participates in β ladder)trans-71.9126.8-177.2-59.876.8000110.6V68 Q70 M89 L94 D119 V120 A121V68-W75 HydrophobicContact CB-CE3 3.85Å; V68-W75 HydrophobicContact CB-CZ3 4.06Å; V68-W75 HydrophobicContact CG1-CB 4.34Å; V68-W75 HydrophobicContact CG1-CD2 4.48Å; V68-W75 HydrophobicContact CG1-CE3 3.51Å; V68-W75 HydrophobicContact CG1-CZ3 4.23Å; Q70-W75 HydrophobicContact CG-CD2 4.19Å; Q70-W75 HydrophobicContact CG-CE3 4.29Å; Q70-W75 HydrophobicContact CG-CG 4.48Å; Q70-W75 VanDerWaalsContact NE2-CZ2 3.35Å; W75-M89 HydrophobicContact CB-CE 3.95Å; W75-L94 HydrophobicContact CH2-CD2 4.05Å; W75-L94 HydrophobicContact CZ3-CD2 3.69Å; W75-D119 PolarHBondContact N-O 2.77Å; W75-V120 HydrophobicContact CB-CG2 4.27Å; W75-V120 CarbonylContact O-C 3.56Å; W75-V120 WeakPolarHBondContact O-CA 3.39Å; W75-A121 PolarHBondContact O-N 3.43Å
76V93.4Very high90.3Very high49 Ų4971.5 Ų71.530%0.29739%0.388SS..PPolyproline II helixtrans-80.8121177.1-176.70000108.3H69 C71H69-V76 HydrophobicContact CB-CB 4.5Å; H69-V76 PolarHBondContact O-N 2.91Å; C71-V76 HydrophobicContact CB-CG2 3.98Å
77P94.8Very high91Very high4 Ų469.5 Ų69.53%0.02638%0.376CS..PPolyproline II helixtrans-67.2155.3175.430.5-35.4000111.1Y79 A87 M89 V120 A121 W122P77-Y79 HydrophobicContact CG-CE2 4.28Å; P77-A87 HydrophobicContact CB-CB 4.09Å; P77-A87 HydrophobicContact CG-CB 4.11Å; P77-M89 HydrophobicContact CB-CE 4.37Å; P77-V120 HydrophobicContact CB-CG1 4.15Å; P77-V120 HydrophobicContact CG-CG1 4.35Å; P77-A121 VanDerWaalsContact CD-O 3.29Å; P77-A121 WeakPolarHBondContact CD-O 3.4Å; P77-W122 HydrophobicContact CB-CE3 4.23Å; P77-W122 HydrophobicContact CB-CZ3 4.08Å; P77-W122 HydrophobicContact CG-CE3 4.31Å
78V95.4Very high91.7Very high22 Ų2262 Ų6213%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-79.1123.5176.3177.10000108.4V63 P66 A87 L88 F93V63-V78 HydrophobicContact CB-CG1 4.25Å; V63-V78 HydrophobicContact CG1-CG1 4.34Å; P66-V78 HydrophobicContact CB-CG2 4.14Å; P66-V78 HydrophobicContact CG-CB 4.25Å; P66-V78 HydrophobicContact CG-CG1 3.84Å; P66-V78 HydrophobicContact CG-CG2 3.38Å; V78-A87 CarbonylContact O-C 3.6Å; V78-A87 WeakPolarHBondContact O-CA 3.38Å; V78-L88 PolarHBondContact N-O 2.83Å; V78-L88 PolarHBondContact O-N 3.41Å; V78-F93 HydrophobicContact CB-CE2 3.92Å; V78-F93 HydrophobicContact CB-CZ 3.96Å; V78-F93 HydrophobicContact CG1-CZ 4.35Å; V78-F93 HydrophobicContact CG2-CD2 3.97Å; V78-F93 HydrophobicContact CG2-CE1 4.42Å; V78-F93 HydrophobicContact CG2-CE2 3.43Å; V78-F93 VanDerWaalsContact CG2-CE2 3.43Å; V78-F93 HydrophobicContact CG2-CZ 3.69Å
79Y94.7Very high92.1Very high70 Ų7060.9 Ų60.928%0.27533%0.334SS..EExtended strand (participates in β ladder)trans-92.6135.4174.8-66.4-80.6000110.6P77 D81 K84 L86 A87P77-Y79 HydrophobicContact CG-CE2 4.28Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; Y79-K84 VanDerWaalsContact CD1-CA 3.49Å; Y79-K84 HydrophobicContact CD1-CB 3.46Å; Y79-K84 VanDerWaalsContact CD1-CB 3.46Å; Y79-K84 HydrophobicContact CD1-CD 4.42Å; Y79-K84 HydrophobicContact CD1-CG 3.84Å; Y79-K84 HydrophobicContact CD2-CB 4.49Å; Y79-K84 HydrophobicContact CD2-CD 4.02Å; Y79-K84 HydrophobicContact CD2-CG 4.01Å; Y79-K84 HydrophobicContact CE1-CB 3.6Å; Y79-K84 HydrophobicContact CE1-CD 4.33Å; Y79-K84 HydrophobicContact CE1-CG 4.16Å; Y79-K84 HydrophobicContact CE2-CD 3.93Å; Y79-K84 HydrophobicContact CE2-CG 4.32Å; Y79-K84 HydrophobicContact CG-CB 3.93Å; Y79-K84 HydrophobicContact CG-CD 4.25Å; Y79-K84 HydrophobicContact CG-CG 3.74Å; Y79-L86 WeakPolarHBondContact CA-O 3.38Å; Y79-A87 HydrophobicContact CD1-CB 3.93Å; Y79-A87 HydrophobicContact CE1-CB 3.69Å
80T92.3Very high92.3Very high41 Ų4155.2 Ų55.225%0.25231%0.307SS..SBendtrans-87.5-6.6-178.871.30000113.4L61 V63 L86L61-T80 HydrophobicContact CB-CG2 4.44Å; L61-T80 HydrophobicContact CD1-CG2 4.08Å; V63-T80 HydrophobicContact CG1-CG2 3.73Å; T80-L86 HydrophobicContact CG2-CD2 4Å; T80-L86 HydrophobicContact CG2-CG 4.04Å; T80-L86 PolarHBondContact N-O 2.91Å; T80-L86 WeakPolarHBondContact OG1-CB 3.44Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.29Å
81D88.8Confident92.1Very high33 Ų3348.7 Ų48.718%0.17628%0.277CS..SBendtrans-147.1161.4-175.864.967.7000111.5R39 Y79 Q83 K84 S85 L86R39-D81 IonicContact NH1-OD2 2.66Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; D81-Q83 VanDerWaalsContact C-N 3.28Å; D81-Q83 PolarHBondContact O-N 3.37Å; D81-Q83 VanDerWaalsContact OD1-C 3.23Å; D81-Q83 WeakPolarHBondContact OD1-CA 3.45Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.35Å; D81-Q83 PolarHBondContact OD1-N 2.92Å; D81-K84 PolarHBondContact O-N 2.78Å; D81-K84 WeakPolarHBondContact OD1-CA 3.46Å; D81-K84 PolarHBondContact OD1-N 3.09Å; D81-S85 VanDerWaalsContact CG-OG 3.27Å; D81-S85 PolarHBondContact OD1-N 3.49Å; D81-S85 PolarHBondContact OD1-OG 3.02Å; D81-S85 PolarHBondContact OD2-N 2.74Å; D81-S85 PolarHBondContact OD2-OG 3Å; D81-L86 PolarHBondContact OD2-N 2.92Å; D81-L86 VanDerWaalsContact OD2-N 3.15Å
82A88.3Confident92Very high95 Ų9546.7 Ų46.779%0.78527%0.266SS*.THydrogen-bonded Turntrans-70-26.3-177.500000112.9K84A82-K84 PolarHBondContact O-N 3.36Å
83Q91.6Very high92.1Very high156 Ų15639.1 Ų39.173%0.72922%0.224SC*.THydrogen-bonded Turntrans-78-6.3178.6-64.677.9800112.4D81 S85D81-Q83 VanDerWaalsContact C-N 3.28Å; D81-Q83 PolarHBondContact O-N 3.37Å; D81-Q83 VanDerWaalsContact OD1-C 3.23Å; D81-Q83 WeakPolarHBondContact OD1-CA 3.45Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.35Å; D81-Q83 PolarHBondContact OD1-N 2.92Å; Q83-S85 PolarHBondContact O-N 2.79Å
84K93.6Very high92Very high126 Ų12636.9 Ų36.955%0.54821%0.205SC..  trans55.238-175.8-61.1-172.6178-173.60112.3Y79 D81 A82Y79-K84 VanDerWaalsContact CD1-CA 3.49Å; Y79-K84 HydrophobicContact CD1-CB 3.46Å; Y79-K84 VanDerWaalsContact CD1-CB 3.46Å; Y79-K84 HydrophobicContact CD1-CD 4.42Å; Y79-K84 HydrophobicContact CD1-CG 3.84Å; Y79-K84 HydrophobicContact CD2-CB 4.49Å; Y79-K84 HydrophobicContact CD2-CD 4.02Å; Y79-K84 HydrophobicContact CD2-CG 4.01Å; Y79-K84 HydrophobicContact CE1-CB 3.6Å; Y79-K84 HydrophobicContact CE1-CD 4.33Å; Y79-K84 HydrophobicContact CE1-CG 4.16Å; Y79-K84 HydrophobicContact CE2-CD 3.93Å; Y79-K84 HydrophobicContact CE2-CG 4.32Å; Y79-K84 HydrophobicContact CG-CB 3.93Å; Y79-K84 HydrophobicContact CG-CD 4.25Å; Y79-K84 HydrophobicContact CG-CG 3.74Å; D81-K84 PolarHBondContact O-N 2.78Å; D81-K84 WeakPolarHBondContact OD1-CA 3.46Å; D81-K84 PolarHBondContact OD1-N 3.09Å; A82-K84 PolarHBondContact O-N 3.36Å
85S95.6Very high91.4Very high30 Ų3037.2 Ų37.221%0.2120%0.201CC..  trans-86.2-24.5-176.473.70000113.6R39 V45 D81 Q83R39-S85 VanDerWaalsContact CD-OG 3.31Å; R39-S85 WeakPolarHBondContact CD-OG 3.46Å; R39-S85 WeakPolarHBondContact CG-OG 3.31Å; V45-S85 PolarHBondContact N-O 3.05Å; D81-S85 VanDerWaalsContact CG-OG 3.27Å; D81-S85 PolarHBondContact OD1-N 3.49Å; D81-S85 PolarHBondContact OD1-OG 3.02Å; D81-S85 PolarHBondContact OD2-N 2.74Å; D81-S85 PolarHBondContact OD2-OG 3Å; Q83-S85 PolarHBondContact O-N 2.79Å
86L97.4Very high90.5Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-124.9118.3171.8177.963.7000110.8A35 L36 V45 I47 L61 Y79 T80 D81A35-L86 HydrophobicContact CB-CD1 4.04Å; L36-L86 HydrophobicContact CD2-CD2 4Å; V45-L86 HydrophobicContact CB-CD1 4.01Å; V45-L86 HydrophobicContact CG1-CD1 4.13Å; V45-L86 WeakPolarHBondContact O-CA 3.41Å; I47-L86 HydrophobicContact CD1-CD1 4.11Å; I47-L86 HydrophobicContact CG1-CD1 4.11Å; L61-L86 HydrophobicContact CD1-CD2 4.16Å; L61-L86 HydrophobicContact CD2-CD2 4.23Å; Y79-L86 WeakPolarHBondContact CA-O 3.38Å; T80-L86 HydrophobicContact CG2-CD2 4Å; T80-L86 HydrophobicContact CG2-CG 4.04Å; T80-L86 PolarHBondContact N-O 2.91Å; T80-L86 WeakPolarHBondContact OG1-CB 3.44Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.29Å; D81-L86 PolarHBondContact OD2-N 2.92Å; D81-L86 VanDerWaalsContact OD2-N 3.15Å
87A97.3Very high89.6Confident0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-106.2140.917700000110.4V45 G46 I47 P77 V78 Y79 W122V45-A87 PolarHBondContact O-N 2.89Å; G46-A87 CarbonylContact C-O 3.52Å; G46-A87 VanDerWaalsContact CA-O 3.31Å; G46-A87 WeakPolarHBondContact CA-O 3.44Å; I47-A87 PolarHBondContact N-O 3.28Å; P77-A87 HydrophobicContact CB-CB 4.09Å; P77-A87 HydrophobicContact CG-CB 4.11Å; V78-A87 CarbonylContact O-C 3.6Å; V78-A87 WeakPolarHBondContact O-CA 3.38Å; Y79-A87 HydrophobicContact CD1-CB 3.93Å; Y79-A87 HydrophobicContact CE1-CB 3.69Å; A87-W122 HydrophobicContact CB-CE3 4.14Å; A87-W122 HydrophobicContact CB-CZ3 4.08Å
88L96.6Very high88.2Confident0 Ų047.4 Ų47.40%026%0.255CS..EExtended strand (participates in β ladder)trans-129.7129.4178174.163.4000109.5I47 D49 I57 P58 L61 V63 V78 F93I47-L88 HydrophobicContact CB-CD1 3.91Å; I47-L88 HydrophobicContact CG2-CD1 4Å; I47-L88 WeakPolarHBondContact O-CA 3.41Å; D49-L88 HydrophobicContact CB-CD1 4.42Å; I57-L88 HydrophobicContact CB-CD1 4.39Å; I57-L88 HydrophobicContact CG2-CD1 3.74Å; I57-L88 HydrophobicContact CG2-CD2 4.24Å; P58-L88 HydrophobicContact CG-CD2 4.27Å; L61-L88 HydrophobicContact CD1-CD2 4.21Å; V63-L88 HydrophobicContact CG2-CD2 3.84Å; V78-L88 PolarHBondContact N-O 2.83Å; V78-L88 PolarHBondContact O-N 3.41Å; L88-F93 HydrophobicContact CD2-CE1 4.47Å; L88-F93 HydrophobicContact CD2-CE2 4.22Å; L88-F93 HydrophobicContact CD2-CZ 3.57Å; L88-F93 HydrophobicContact CG-CE2 3.96Å; L88-F93 HydrophobicContact CG-CZ 3.83Å
89M95.3Very high86.9Confident0 Ų053.5 Ų53.50%029%0.287CS..EExtended strand (participates in β ladder)trans-119.3125.3158.9-173.65667.900108I47 L48 D49 V68 W75 P77 F93 F116 V120 W122I47-M89 PolarHBondContact O-N 2.9Å; L48-M89 WeakPolarHBondContact CA-O 3.38Å; L48-M89 HydrophobicContact CD1-CB 4.16Å; L48-M89 HydrophobicContact CD1-CG 4.31Å; D49-M89 PolarHBondContact N-O 3.08Å; V68-M89 HydrophobicContact CG1-CE 3.57Å; V68-M89 HydrophobicContact CG1-SD 4.02Å; W75-M89 HydrophobicContact CB-CE 3.95Å; P77-M89 HydrophobicContact CB-CE 4.37Å; M89-F93 HydrophobicContact SD-CD2 4.27Å; M89-F116 HydrophobicContact CG-CD1 4.04Å; M89-F116 HydrophobicContact CG-CE1 4.08Å; M89-F116 HydrophobicContact CG-CG 4.26Å; M89-F116 HydrophobicContact CG-CZ 4.34Å; M89-F116 HydrophobicContact SD-CE1 4.14Å; M89-F116 HydrophobicContact SD-CZ 4.48Å; M89-V120 HydrophobicContact CB-CG1 4.31Å; M89-V120 HydrophobicContact CB-CG2 4.31Å; M89-V120 HydrophobicContact CE-CG1 4.02Å; M89-V120 HydrophobicContact CE-CG2 3.99Å; M89-V120 HydrophobicContact CG-CG2 3.78Å; M89-W122 HydrophobicContact CB-CH2 3.58Å; M89-W122 HydrophobicContact CB-CZ2 3.94Å; M89-W122 HydrophobicContact CB-CZ3 4.44Å
90S92.7Very high85.7Confident0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-132.2143.3178.5176.40000110.4D49 P58 G92 F93D49-S90 WeakPolarHBondContact O-CA 3.17Å; D49-S90 PolarHBondContact OD2-OG 3.36Å; P58-S90 VanDerWaalsContact CG-CB 3.41Å; P58-S90 VanDerWaalsContact CG-OG 3.26Å; P58-S90 WeakPolarHBondContact CG-OG 3.23Å; S90-G92 PolarHBondContact O-N 3.42Å; S90-G92 PolarHBondContact OG-N 3.34Å; S90-F93 WeakPolarHBondContact O-CD2 3.36Å; S90-F93 PolarHBondContact O-N 3Å; S90-F93 VanDerWaalsContact O-N 3.13Å
91I86Confident84.5Confident0 Ų058.4 Ų58.40%032%0.324CS..G310 helixtrans-59.1-26168.5-160.9137.5000113D49 L52 P55 F93 L94 W104 L112 F116D49-I91 PolarHBondContact O-N 3.42Å; D49-I91 VanDerWaalsContact O-N 3.12Å; L52-I91 HydrophobicContact CD1-CD1 4.49Å; L52-I91 HydrophobicContact CD2-CD1 3.15Å; L52-I91 HydrophobicContact CD2-CG1 3.95Å; L52-I91 HydrophobicContact CG-CD1 3.64Å; P55-I91 HydrophobicContact CB-CG2 3.87Å; P55-I91 HydrophobicContact CG-CG2 4.11Å; I91-F93 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 3.36Å; I91-W104 HydrophobicContact CD1-CZ3 3.93Å; I91-W104 HydrophobicContact CG1-CH2 4.33Å; I91-W104 HydrophobicContact CG1-CZ3 4.1Å; I91-L112 HydrophobicContact CD1-CD2 3.38Å; I91-L112 HydrophobicContact CD1-CG 4.42Å; I91-L112 HydrophobicContact CG1-CD2 3.89Å; I91-F116 HydrophobicContact CB-CE2 3.92Å; I91-F116 HydrophobicContact CD1-CE2 4.25Å; I91-F116 HydrophobicContact CG1-CE2 4.31Å
92G86Confident83.5Confident15 Ų1558.3 Ų58.316%0.15533%0.325CS..G310 helixtrans-61.4-22.2176.200000113.6S90 L94S90-G92 PolarHBondContact O-N 3.42Å; S90-G92 PolarHBondContact OG-N 3.34Å; G92-L94 VanDerWaalsContact C-N 3.29Å
93F88.1Confident82.7Confident23 Ų2360.2 Ų60.210%0.10133%0.326CS..G310 helixtrans-75.1-19.1174.4-55.6-38.4000113.6P58 V63 P66 V68 V78 L88 M89 S90 I91P58-F93 HydrophobicContact CB-CD1 4.49Å; P58-F93 HydrophobicContact CB-CE1 3.79Å; P58-F93 HydrophobicContact CB-CZ 4.41Å; P58-F93 HydrophobicContact CG-CD1 4.4Å; P58-F93 HydrophobicContact CG-CE1 3.88Å; P58-F93 HydrophobicContact CG-CZ 4.24Å; V63-F93 HydrophobicContact CG2-CE1 3.92Å; V63-F93 HydrophobicContact CG2-CZ 4Å; P66-F93 HydrophobicContact CG-CD1 4.15Å; P66-F93 HydrophobicContact CG-CE1 3.96Å; P66-F93 HydrophobicContact CG-CZ 4.34Å; V68-F93 HydrophobicContact CG2-CB 3.37Å; V68-F93 HydrophobicContact CG2-CD2 4Å; V68-F93 HydrophobicContact CG2-CG 4.05Å; V78-F93 HydrophobicContact CB-CE2 3.92Å; V78-F93 HydrophobicContact CB-CZ 3.96Å; V78-F93 HydrophobicContact CG1-CZ 4.35Å; V78-F93 HydrophobicContact CG2-CD2 3.97Å; V78-F93 HydrophobicContact CG2-CE1 4.42Å; V78-F93 HydrophobicContact CG2-CE2 3.43Å; V78-F93 VanDerWaalsContact CG2-CE2 3.43Å; V78-F93 HydrophobicContact CG2-CZ 3.69Å; L88-F93 HydrophobicContact CD2-CE1 4.47Å; L88-F93 HydrophobicContact CD2-CE2 4.22Å; L88-F93 HydrophobicContact CD2-CZ 3.57Å; L88-F93 HydrophobicContact CG-CE2 3.96Å; L88-F93 HydrophobicContact CG-CZ 3.83Å; M89-F93 HydrophobicContact SD-CD2 4.27Å; S90-F93 WeakPolarHBondContact O-CD2 3.36Å; S90-F93 PolarHBondContact O-N 3Å; S90-F93 VanDerWaalsContact O-N 3.13Å; I91-F93 PolarHBondContact O-N 3.11Å
94L81.8Confident81.8Confident50 Ų5055.9 Ų55.926%0.26230%0.303SS..G310 helixtrans-97.2-0.1179.5-55.6-172.7000112.8V68 W75 I91 G92 L112 F116V68-L94 HydrophobicContact CG2-CD2 4.12Å; W75-L94 HydrophobicContact CH2-CD2 4.05Å; W75-L94 HydrophobicContact CZ3-CD2 3.69Å; I91-L94 PolarHBondContact O-N 3.36Å; G92-L94 VanDerWaalsContact C-N 3.29Å; L94-L112 HydrophobicContact CD1-CD1 3.61Å; L94-L112 HydrophobicContact CD1-CD2 3.95Å; L94-L112 HydrophobicContact CD1-CG 4.33Å; L94-F116 HydrophobicContact CD1-CE1 3.65Å; L94-F116 HydrophobicContact CD1-CZ 3.48Å; L94-F116 VanDerWaalsContact CD1-CZ 3.48Å; L94-F116 HydrophobicContact CG-CE1 4.45Å; L94-F116 HydrophobicContact CG-CZ 4.07Å
95M77.8Confident80.9Confident24 Ų2460.1 Ų60.112%0.11832%0.316CS..  trans-86.2128.7175.4-65.417960.700109.6P55 D97 E100 V102P55-M95 HydrophobicContact CG-SD 3.81Å; M95-D97 VanDerWaalsContact C-N 3.34Å; M95-D97 WeakPolarHBondContact CE-O 3.37Å; M95-E100 WeakPolarHBondContact CE-O 3.28Å; M95-V102 HydrophobicContact CE-CG2 3.32Å; M95-V102 HydrophobicContact CG-CG2 4.24Å; M95-V102 HydrophobicContact SD-CG2 3.54Å; M95-V102 VanDerWaalsContact SD-CG2 3.54Å
96E72.4Confident80Confident186 Ų18660.8 Ų60.887%0.86933%0.327SS*.SBendtrans-64.8-43174.5-66.6179.1-175.700110.4R65R65-E96 PolarHBondContact NH1-O 3.42Å; R65-E96 VanDerWaalsContact NH1-O 3.13Å
97D74.8Confident79.2Confident60 Ų6065.7 Ų65.732%0.32136%0.359SS..  trans-130.3119.9175.5-166.4-14.4000111.3M95 D99 E100M95-D97 VanDerWaalsContact C-N 3.34Å; M95-D97 WeakPolarHBondContact CE-O 3.37Å; D97-D99 PolarHBondContact O-N 3.35Å; D97-D99 PolarHBondContact OD1-N 2.64Å; D97-E100 HydrophobicContact CB-CB 4.16Å; D97-E100 HydrophobicContact CB-CG 3.86Å; D97-E100 PolarHBondContact O-N 2.84Å
98P65.5Low78.4Confident65 Ų6571.7 Ų71.742%0.42239%0.385SS..THydrogen-bonded Turntrans-70-17.1175.830.6-37.5000113.8E100P98-E100 VanDerWaalsContact C-N 3.31Å
99D68.3Low77.5Confident150 Ų15073.1 Ų73.180%0.80239%0.392SS*.THydrogen-bonded Turntrans-85.9-8.8174.9-65.6-38.8000111.7D97D97-D99 PolarHBondContact O-N 3.35Å; D97-D99 PolarHBondContact OD1-N 2.64Å
100E70.1Confident76.9Confident126 Ų12675.6 Ų75.659%0.58941%0.407SS*.SBendtrans-83.8132.9174.1-77.6-166.3168.300112.5M95 D97 P98 V102M95-E100 WeakPolarHBondContact CE-O 3.28Å; D97-E100 HydrophobicContact CB-CB 4.16Å; D97-E100 HydrophobicContact CB-CG 3.86Å; D97-E100 PolarHBondContact O-N 2.84Å; P98-E100 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 3.37Å
101A66.7Low76.5Confident87 Ų8778.4 Ų78.472%0.71943%0.43SS*.  trans-64.6127.4173.100000110.7V103A101-V103 PolarHBondContact O-N 3.39Å
102V68.1Low76.4Confident32 Ų3279.2 Ų79.219%0.19443%0.434CS..  trans-71.693.3177.1-177.20000110.6L52 M95 E100 W104L52-V102 HydrophobicContact CD2-CG1 4.11Å; M95-V102 HydrophobicContact CE-CG2 3.32Å; M95-V102 HydrophobicContact CG-CG2 4.24Å; M95-V102 HydrophobicContact SD-CG2 3.54Å; M95-V102 VanDerWaalsContact SD-CG2 3.54Å; E100-V102 PolarHBondContact O-N 3.37Å; V102-W104 VanDerWaalsContact C-N 3.3Å; V102-W104 HydrophobicContact CG1-CB 4.03Å; V102-W104 HydrophobicContact CG1-CD2 3.55Å; V102-W104 HydrophobicContact CG1-CE3 3.95Å; V102-W104 HydrophobicContact CG1-CG 3.58Å; V102-W104 PolarHBondContact O-N 2.88Å
103V70.9Confident76.4Confident135 Ų13578.6 Ų78.682%0.81843%0.427SS*.  trans-92.460.8174.2-165.50000110.6A101A101-V103 PolarHBondContact O-N 3.39Å
104W72.4Confident76.2Confident64 Ų6477.9 Ų77.924%0.24243%0.426CS..  trans-93.8138.7175.7-67.2-0.6000111.9L52 I91 V102 K108 K109 L112L52-W104 HydrophobicContact CD2-CE3 3.99Å; L52-W104 HydrophobicContact CD2-CZ3 4.11Å; I91-W104 HydrophobicContact CD1-CZ3 3.93Å; I91-W104 HydrophobicContact CG1-CH2 4.33Å; I91-W104 HydrophobicContact CG1-CZ3 4.1Å; V102-W104 VanDerWaalsContact C-N 3.3Å; V102-W104 HydrophobicContact CG1-CB 4.03Å; V102-W104 HydrophobicContact CG1-CD2 3.55Å; V102-W104 HydrophobicContact CG1-CE3 3.95Å; V102-W104 HydrophobicContact CG1-CG 3.58Å; V102-W104 PolarHBondContact O-N 2.88Å; W104-K108 HydrophobicContact CD2-CD 4.35Å; W104-K108 HydrophobicContact CG-CD 4.26Å; W104-K109 HydrophobicContact CB-CD 4.36Å; W104-K109 HydrophobicContact CB-CG 3.74Å; W104-K109 HydrophobicContact CE3-CG 4.34Å; W104-K109 WeakPolarHBondContact O-CE 3.33Å; W104-L112 HydrophobicContact CE3-CD2 4.41Å; W104-L112 HydrophobicContact CH2-CD2 3.91Å; W104-L112 HydrophobicContact CZ3-CD2 3.37Å
105R74.9Confident76.4Confident216 Ų21679.6 Ų79.682%0.81543%0.433SS*.  trans-67.7144.3174-62.8-169.5179.6-140.21110.5P107 K108 K109R105-P107 VanDerWaalsContact C-CD 3.49Å; R105-P107 VanDerWaalsContact C-N 3.35Å; R105-P107 VanDerWaalsContact O-N 3.16Å; R105-K108 WeakPolarHBondContact O-CB 3.24Å; R105-K108 PolarHBondContact O-N 3.03Å; R105-K109 PolarHBondContact O-N 3.07Å
106G76.9Confident76.9Confident43 Ų4378.4 Ų78.444%0.44343%0.427SS..Hα-helixtrans-46.1-44.2-177.200000115.9K108 K109 T110G106-K108 PolarHBondContact O-N 3.05Å; G106-K109 PolarHBondContact O-N 3.5Å; G106-T110 WeakPolarHBondContact O-CB 3.33Å; G106-T110 PolarHBondContact O-N 3.27Å; G106-T110 PolarHBondContact O-OG1 3.08Å
107P80.6Confident77.4Confident104 Ų10469.6 Ų69.668%0.67539%0.386SS*.Hα-helixtrans-62-38.9177-26.635.9000114R105 T110 A111R105-P107 VanDerWaalsContact C-CD 3.49Å; R105-P107 VanDerWaalsContact C-N 3.35Å; R105-P107 VanDerWaalsContact O-N 3.16Å; P107-T110 PolarHBondContact O-N 2.73Å; P107-A111 WeakPolarHBondContact O-CB 3.27Å; P107-A111 PolarHBondContact O-N 3.47Å
108K81.2Confident77.9Confident126 Ų12668.7 Ų68.755%0.54838%0.384SS..Hα-helixtrans-66.4-42.9177.7-172.6-178.1178.8-171.40110.7W104 R105 G106 A111 L112W104-K108 HydrophobicContact CD2-CD 4.35Å; W104-K108 HydrophobicContact CG-CD 4.26Å; R105-K108 WeakPolarHBondContact O-CB 3.24Å; R105-K108 PolarHBondContact O-N 3.03Å; G106-K108 PolarHBondContact O-N 3.05Å; K108-A111 PolarHBondContact O-N 2.83Å; K108-L112 PolarHBondContact O-N 3.1Å
109K78.2Confident79Confident30 Ų3068.6 Ų68.613%0.1338%0.38CS..Hα-helixtrans-59.7-50175.3-69.7177158.9-1610111.5L52 W104 R105 G106 A111 L112 I113 E139L52-K109 HydrophobicContact CD1-CB 3.86Å; L52-K109 HydrophobicContact CD1-CD 3.84Å; L52-K109 HydrophobicContact CD1-CG 3.82Å; L52-K109 HydrophobicContact CD2-CD 4.5Å; L52-K109 HydrophobicContact CD2-CG 4.11Å; W104-K109 HydrophobicContact CB-CD 4.36Å; W104-K109 HydrophobicContact CB-CG 3.74Å; W104-K109 HydrophobicContact CE3-CG 4.34Å; W104-K109 WeakPolarHBondContact O-CE 3.33Å; R105-K109 PolarHBondContact O-N 3.07Å; G106-K109 PolarHBondContact O-N 3.5Å; K109-A111 PolarHBondContact O-N 3.07Å; K109-L112 PolarHBondContact O-N 2.98Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 3.45Å; K109-E139 IonicContact NZ-OE1 2.77Å; K109-E139 PolarHBondContact NZ-OE1 2.88Å
110T81.7Confident80.2Confident52 Ų5261.4 Ų61.432%0.31934%0.342SS..Hα-helixtrans-60.5-44179.6-58.50000111.8G106 P107 I113 G114 A142G106-T110 WeakPolarHBondContact O-CB 3.33Å; G106-T110 PolarHBondContact O-N 3.27Å; G106-T110 PolarHBondContact O-OG1 3.08Å; P107-T110 PolarHBondContact O-N 2.73Å; T110-I113 PolarHBondContact O-N 2.89Å; T110-G114 PolarHBondContact O-N 2.88Å; T110-A142 HydrophobicContact CG2-CB 3.8Å
111A84.3Confident81.3Confident59 Ų5956.6 Ų56.649%0.48832%0.323SS..Hα-helixtrans-62-43.8177.300000111.7P107 K108 K109 G114 Q115P107-A111 WeakPolarHBondContact O-CB 3.27Å; P107-A111 PolarHBondContact O-N 3.47Å; K108-A111 PolarHBondContact O-N 2.83Å; K109-A111 PolarHBondContact O-N 3.07Å; A111-G114 PolarHBondContact O-N 3.28Å; A111-Q115 WeakPolarHBondContact O-CG 3.47Å; A111-Q115 PolarHBondContact O-N 2.85Å
112L84.9Confident82.6Confident17 Ų1752.5 Ų52.59%0.08929%0.29CS..Hα-helixtrans-67.4-42.2179.3-175.370.4000112.5I91 L94 W104 K108 K109 G114 Q115 F116I91-L112 HydrophobicContact CD1-CD2 3.38Å; I91-L112 HydrophobicContact CD1-CG 4.42Å; I91-L112 HydrophobicContact CG1-CD2 3.89Å; L94-L112 HydrophobicContact CD1-CD1 3.61Å; L94-L112 HydrophobicContact CD1-CD2 3.95Å; L94-L112 HydrophobicContact CD1-CG 4.33Å; W104-L112 HydrophobicContact CE3-CD2 4.41Å; W104-L112 HydrophobicContact CH2-CD2 3.91Å; W104-L112 HydrophobicContact CZ3-CD2 3.37Å; K108-L112 PolarHBondContact O-N 3.1Å; K109-L112 PolarHBondContact O-N 2.98Å; L112-G114 PolarHBondContact O-N 2.89Å; L112-Q115 WeakPolarHBondContact O-CB 3.42Å; L112-Q115 PolarHBondContact O-N 2.93Å; L112-Q115 VanDerWaalsContact O-N 3.1Å; L112-F116 HydrophobicContact CD1-CE1 4.13Å; L112-F116 HydrophobicContact CD1-CZ 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.39Å; L112-F116 HydrophobicContact CD2-CZ 4.31Å; L112-F116 HydrophobicContact CG-CE1 4.45Å; L112-F116 HydrophobicContact CG-CE2 4.36Å; L112-F116 HydrophobicContact CG-CZ 4.28Å; L112-F116 PolarHBondContact O-N 2.92Å
113I84.1Confident83.7Confident1 Ų152.4 Ų52.41%0.00530%0.295CS..Hα-helixtrans-56-43.3172.5-70.6166.6000109.9V50 L52 K109 T110 Q115 F116 V117 A142 V143V50-I113 HydrophobicContact CB-CG1 4.47Å; V50-I113 HydrophobicContact CG1-CG1 4.37Å; L52-I113 HydrophobicContact CD1-CD1 4.14Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å; K109-I113 PolarHBondContact O-N 3.45Å; T110-I113 PolarHBondContact O-N 2.89Å; I113-Q115 PolarHBondContact O-N 3.4Å; I113-F116 PolarHBondContact O-N 2.97Å; I113-V117 WeakPolarHBondContact O-CG2 3.35Å; I113-V117 PolarHBondContact O-N 2.9Å; I113-A142 HydrophobicContact CD1-CB 4.32Å; I113-V143 HydrophobicContact CD1-CG2 4.21Å; I113-V143 HydrophobicContact CG2-CB 4.28Å; I113-V143 HydrophobicContact CG2-CG2 3.62Å
114G84.4Confident84.9Confident8 Ų852.2 Ų52.28%0.08229%0.285CS..Hα-helixtrans-61.3-41175.200000113.6T110 A111 L112 V117 S118 N146T110-G114 PolarHBondContact O-N 2.88Å; A111-G114 PolarHBondContact O-N 3.28Å; L112-G114 PolarHBondContact O-N 2.89Å; G114-V117 PolarHBondContact O-N 2.94Å; G114-S118 VanDerWaalsContact O-CB 3.24Å; G114-S118 WeakPolarHBondContact O-CB 3.28Å; G114-S118 PolarHBondContact O-N 2.82Å; G114-S118 PolarHBondContact O-OG 3.05Å; G114-N146 VanDerWaalsContact CA-OD1 3.26Å; G114-N146 WeakPolarHBondContact CA-OD1 3.46Å
115Q86.2Confident86Confident86 Ų8649.6 Ų49.640%0.40228%0.276SS..Hα-helixtrans-64.1-42.6174.2-73.1-177.4-30.500111.8A111 L112 I113 V117 S118 D119A111-Q115 WeakPolarHBondContact O-CG 3.47Å; A111-Q115 PolarHBondContact O-N 2.85Å; L112-Q115 WeakPolarHBondContact O-CB 3.42Å; L112-Q115 PolarHBondContact O-N 2.93Å; L112-Q115 VanDerWaalsContact O-N 3.1Å; I113-Q115 PolarHBondContact O-N 3.4Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 3.34Å; Q115-S118 PolarHBondContact O-N 2.86Å; Q115-D119 WeakPolarHBondContact O-CA 3.31Å; Q115-D119 WeakPolarHBondContact O-CB 3.47Å; Q115-D119 PolarHBondContact O-N 2.89Å
116F87.6Confident87.1Confident0 Ų040.5 Ų40.50%024%0.243CC..Hα-helixtrans-64-38.3177.1-74-14.3000113.4L48 V50 M89 I91 L94 L112 I113 V120L48-F116 HydrophobicContact CD1-CB 3.76Å; L48-F116 HydrophobicContact CD1-CD2 3.99Å; L48-F116 HydrophobicContact CD1-CG 4.18Å; V50-F116 HydrophobicContact CG1-CD2 4.08Å; M89-F116 HydrophobicContact CG-CD1 4.04Å; M89-F116 HydrophobicContact CG-CE1 4.08Å; M89-F116 HydrophobicContact CG-CG 4.26Å; M89-F116 HydrophobicContact CG-CZ 4.34Å; M89-F116 HydrophobicContact SD-CE1 4.14Å; M89-F116 HydrophobicContact SD-CZ 4.48Å; I91-F116 HydrophobicContact CB-CE2 3.92Å; I91-F116 HydrophobicContact CD1-CE2 4.25Å; I91-F116 HydrophobicContact CG1-CE2 4.31Å; L94-F116 HydrophobicContact CD1-CE1 3.65Å; L94-F116 HydrophobicContact CD1-CZ 3.48Å; L94-F116 VanDerWaalsContact CD1-CZ 3.48Å; L94-F116 HydrophobicContact CG-CE1 4.45Å; L94-F116 HydrophobicContact CG-CZ 4.07Å; L112-F116 HydrophobicContact CD1-CE1 4.13Å; L112-F116 HydrophobicContact CD1-CZ 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.39Å; L112-F116 HydrophobicContact CD2-CZ 4.31Å; L112-F116 HydrophobicContact CG-CE1 4.45Å; L112-F116 HydrophobicContact CG-CE2 4.36Å; L112-F116 HydrophobicContact CG-CZ 4.28Å; L112-F116 PolarHBondContact O-N 2.92Å; I113-F116 PolarHBondContact O-N 2.97Å; F116-V120 HydrophobicContact CB-CG2 4.37Å; F116-V120 HydrophobicContact CD1-CG2 4.34Å; F116-V120 WeakPolarHBondContact O-CB 3.32Å; F116-V120 WeakPolarHBondContact O-CG2 3.32Å
117V84.7Confident88.1Confident1 Ų138.5 Ų38.51%0.00622%0.222CC..Hα-helixtrans-68.2-40.7175.7171.10000111S8 L9 L48 I113 G114 Q115 N146 L147S8-V117 WeakPolarHBondContact CB-O 3.49Å; S8-V117 PolarHBondContact OG-O 3.25Å; L9-V117 HydrophobicContact CD1-CG1 4Å; L48-V117 HydrophobicContact CD2-CG2 4.12Å; I113-V117 WeakPolarHBondContact O-CG2 3.35Å; I113-V117 PolarHBondContact O-N 2.9Å; G114-V117 PolarHBondContact O-N 2.94Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 3.34Å; V117-N146 HydrophobicContact CB-CB 4.18Å; V117-N146 HydrophobicContact CG1-CB 4.21Å; V117-N146 HydrophobicContact CG2-CB 4.22Å; V117-L147 HydrophobicContact CB-CD2 4.49Å; V117-L147 HydrophobicContact CG1-CD2 3.66Å; V117-L147 HydrophobicContact CG1-CG 4.25Å; V117-L147 HydrophobicContact CG2-CD2 3.98Å; V117-L147 HydrophobicContact CG2-CG 4.13Å
118S84.3Confident88.9Confident40 Ų4033.6 Ų33.628%0.2819%0.191SC..Hα-helixtrans-94-28.2-168.1-500000114.8S8 G114 Q115S8-S118 WeakPolarHBondContact CB-O 3.44Å; G114-S118 VanDerWaalsContact O-CB 3.24Å; G114-S118 WeakPolarHBondContact O-CB 3.28Å; G114-S118 PolarHBondContact O-N 2.82Å; G114-S118 PolarHBondContact O-OG 3.05Å; Q115-S118 PolarHBondContact O-N 2.86Å
119D88.6Confident89.7Confident63 Ų6327.6 Ų27.634%0.33716%0.164SC..Hα-helixtrans-121.33.1-163.4-51.9-22.8000112.8G74 W75 Q115G74-D119 CarbonylContact C-O 3.41Å; G74-D119 WeakPolarHBondContact CA-O 3.19Å; W75-D119 PolarHBondContact N-O 2.77Å; Q115-D119 WeakPolarHBondContact O-CA 3.31Å; Q115-D119 WeakPolarHBondContact O-CB 3.47Å; Q115-D119 PolarHBondContact O-N 2.89Å
120V93Very high90.5Very high0 Ų026.1 Ų26.10%016%0.158CC..BIsolated β-bridgetrans-84123.9174.3177.60000109.4S8 W75 P77 M89 F116 W122S8-V120 WeakPolarHBondContact CB-O 3.38Å; S8-V120 PolarHBondContact OG-O 3.43Å; W75-V120 HydrophobicContact CB-CG2 4.27Å; W75-V120 CarbonylContact O-C 3.56Å; W75-V120 WeakPolarHBondContact O-CA 3.39Å; P77-V120 HydrophobicContact CB-CG1 4.15Å; P77-V120 HydrophobicContact CG-CG1 4.35Å; M89-V120 HydrophobicContact CB-CG1 4.31Å; M89-V120 HydrophobicContact CB-CG2 4.31Å; M89-V120 HydrophobicContact CE-CG1 4.02Å; M89-V120 HydrophobicContact CE-CG2 3.99Å; M89-V120 HydrophobicContact CG-CG2 3.78Å; F116-V120 HydrophobicContact CB-CG2 4.37Å; F116-V120 HydrophobicContact CD1-CG2 4.34Å; F116-V120 WeakPolarHBondContact O-CB 3.32Å; F116-V120 WeakPolarHBondContact O-CG2 3.32Å; V120-W122 HydrophobicContact CB-CD2 4.45Å; V120-W122 HydrophobicContact CB-CZ2 4.2Å; V120-W122 HydrophobicContact CG1-CD2 3.7Å; V120-W122 VanDerWaalsContact CG1-CE2 3.44Å; V120-W122 HydrophobicContact CG1-CE3 4.19Å; V120-W122 HydrophobicContact CG1-CG 4.07Å; V120-W122 HydrophobicContact CG1-CH2 4.25Å; V120-W122 HydrophobicContact CG1-CZ2 3.74Å; V120-W122 HydrophobicContact CG1-CZ3 4.45Å; V120-W122 VanDerWaalsContact O-CD1 3.28Å; V120-W122 PolarHBondContact O-N 2.89Å
121A94.1Very high91.1Very high24 Ų2423.7 Ų23.720%0.19814%0.143CC..  trans-78.671.5178.300000110.6W75 P77 G123W75-A121 PolarHBondContact O-N 3.43Å; P77-A121 VanDerWaalsContact CD-O 3.29Å; P77-A121 WeakPolarHBondContact CD-O 3.4Å; A121-G123 PolarHBondContact O-N 2.93Å
122W94Very high91.5Very high2 Ų220.9 Ų20.91%0.00812%0.12CC..  trans-61.7-32.2-179.1-67.8106.4000113.4S8 L9 V12 I47 L48 P77 A87 M89 V120 L125 L128S8-W122 VanDerWaalsContact OG-CD1 3.28Å; L9-W122 HydrophobicContact CD2-CG 4.49Å; V12-W122 HydrophobicContact CG2-CB 4.19Å; V12-W122 HydrophobicContact CG2-CG 4.49Å; I47-W122 WeakPolarHBondContact O-CH2 3.22Å; L48-W122 HydrophobicContact CB-CH2 4.1Å; L48-W122 HydrophobicContact CB-CZ2 3.88Å; L48-W122 HydrophobicContact CD1-CZ2 4.27Å; L48-W122 HydrophobicContact CG-CZ2 4.47Å; P77-W122 HydrophobicContact CB-CE3 4.23Å; P77-W122 HydrophobicContact CB-CZ3 4.08Å; P77-W122 HydrophobicContact CG-CE3 4.31Å; A87-W122 HydrophobicContact CB-CE3 4.14Å; A87-W122 HydrophobicContact CB-CZ3 4.08Å; M89-W122 HydrophobicContact CB-CH2 3.58Å; M89-W122 HydrophobicContact CB-CZ2 3.94Å; M89-W122 HydrophobicContact CB-CZ3 4.44Å; V120-W122 HydrophobicContact CB-CD2 4.45Å; V120-W122 HydrophobicContact CB-CZ2 4.2Å; V120-W122 HydrophobicContact CG1-CD2 3.7Å; V120-W122 VanDerWaalsContact CG1-CE2 3.44Å; V120-W122 HydrophobicContact CG1-CE3 4.19Å; V120-W122 HydrophobicContact CG1-CG 4.07Å; V120-W122 HydrophobicContact CG1-CH2 4.25Å; V120-W122 HydrophobicContact CG1-CZ2 3.74Å; V120-W122 HydrophobicContact CG1-CZ3 4.45Å; V120-W122 VanDerWaalsContact O-CD1 3.28Å; V120-W122 PolarHBondContact O-N 2.89Å; W122-L125 HydrophobicContact CB-CD1 3.81Å; W122-L125 HydrophobicContact CB-CG 4.28Å; W122-L125 HydrophobicContact CD2-CD1 4.03Å; W122-L125 HydrophobicContact CE3-CD1 3.74Å; W122-L125 HydrophobicContact CG-CD1 4.1Å; W122-L128 HydrophobicContact CD2-CD1 4.18Å; W122-L128 HydrophobicContact CE3-CD1 4.19Å; W122-L128 HydrophobicContact CH2-CD1 3.78Å; W122-L128 HydrophobicContact CZ2-CD1 3.79Å; W122-L128 HydrophobicContact CZ2-CD2 4.47Å; W122-L128 HydrophobicContact CZ3-CD1 3.99Å
123G91.8Very high91.6Very high30 Ų3020.1 Ų20.131%0.30912%0.116SC..  trans64.7-151.9-168.700000111.5Q11 A121 L125Q11-G123 VanDerWaalsContact CB-O 3.31Å; Q11-G123 WeakPolarHBondContact CB-O 3.41Å; A121-G123 PolarHBondContact O-N 2.93Å; G123-L125 PolarHBondContact O-N 2.86Å
124E94.5Very high91.8Very high130 Ų13021.7 Ų21.761%0.60713%0.126SC*.SBendtrans-74.7115.5178.7-63.6-178.9167.300112K44K44-E124 VanDerWaalsContact CD-O 3.24Å; K44-E124 WeakPolarHBondContact CD-O 3.41Å; K44-E124 IonicContact NZ-OE2 4Å; K44-E124 PolarHBondContact NZ-OE2 3.1Å; K44-E124 VanDerWaalsContact NZ-OE2 3.16Å
125L96.6Very high91.6Very high9 Ų922.1 Ų22.15%0.04713%0.13CC..EExtended strand (participates in β ladder)trans-124.9142.7171.6-61.6179.9000111Q11 V12 R13 K44 W122 G123 L128Q11-L125 PolarHBondContact O-N 2.92Å; V12-L125 HydrophobicContact CG1-CB 4.29Å; V12-L125 HydrophobicContact CG2-CB 4.23Å; V12-L125 HydrophobicContact CG2-CD1 4.16Å; V12-L125 HydrophobicContact CG2-CG 4.47Å; R13-L125 PolarHBondContact N-O 2.74Å; K44-L125 HydrophobicContact CB-CD2 4.27Å; W122-L125 HydrophobicContact CB-CD1 3.81Å; W122-L125 HydrophobicContact CB-CG 4.28Å; W122-L125 HydrophobicContact CD2-CD1 4.03Å; W122-L125 HydrophobicContact CE3-CD1 3.74Å; W122-L125 HydrophobicContact CG-CD1 4.1Å; G123-L125 PolarHBondContact O-N 2.86Å; L125-L128 HydrophobicContact CD1-CB 4.44Å; L125-L128 HydrophobicContact CD1-CD1 4.41Å
126D97.1Very high90.8Very high25 Ų2521.6 Ų21.613%0.13413%0.133CC..EExtended strand (participates in β ladder)trans-77.1-40.2168.1-68.1-62.5000111R13 H14 K43 K44R13-D126 WeakPolarHBondContact CB-O 3.39Å; R13-D126 IonicContact CZ-OD1 3.79Å; R13-D126 IonicContact NE-OD1 3.86Å; R13-D126 IonicContact NH1-OD1 2.61Å; R13-D126 PolarHBondContact NH1-OD1 2.89Å; H14-D126 PolarHBondContact CD2-O 2.76Å; H14-D126 PolarHBondContact N-O 3.21Å; K43-D126 WeakPolarHBondContact CA-OD2 3.41Å; K43-D126 HydrophobicContact CB-CB 4.02Å; K43-D126 HydrophobicContact CD-CB 4.12Å; K44-D126 PolarHBondContact N-OD2 3.04Å; K44-D126 PolarHBondContact O-N 3.35Å
127V97.8Very high90Very high1 Ų123.5 Ų23.51%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-142.8131.1-178.9-173.70000110.3H14 V16 L38 K44 V45 G46 L129 L265H14-V127 HydrophobicContact CB-CG2 4.49Å; H14-V127 CarbonylContact O-C 3.58Å; H14-V127 WeakPolarHBondContact O-CA 3.48Å; V16-V127 HydrophobicContact CG2-CG1 4.41Å; L38-V127 HydrophobicContact CD1-CB 4.23Å; L38-V127 HydrophobicContact CD1-CG1 4.05Å; L38-V127 HydrophobicContact CD1-CG2 4.25Å; K44-V127 PolarHBondContact O-N 3.24Å; V45-V127 CarbonylContact C-O 3.48Å; V45-V127 WeakPolarHBondContact CA-O 3.4Å; G46-V127 PolarHBondContact N-O 3.24Å; V127-L129 HydrophobicContact CG1-CD2 4.27Å; V127-L129 HydrophobicContact CG1-CG 4.27Å; V127-L265 HydrophobicContact CG2-CD1 4.38Å
128L97.7Very high89.4Confident1 Ų129.9 Ų29.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-107.8116.9164.9177.263.6000109.2L9 V12 H14 V16 G46 L48 W122 L125 V130L9-L128 HydrophobicContact CD2-CD2 3.39Å; V12-L128 HydrophobicContact CG1-CB 3.57Å; H14-L128 PolarHBondContact O-N 2.78Å; V16-L128 PolarHBondContact N-O 2.79Å; G46-L128 WeakPolarHBondContact O-CA 3.3Å; L48-L128 HydrophobicContact CB-CD1 4.15Å; W122-L128 HydrophobicContact CD2-CD1 4.18Å; W122-L128 HydrophobicContact CE3-CD1 4.19Å; W122-L128 HydrophobicContact CH2-CD1 3.78Å; W122-L128 HydrophobicContact CZ2-CD1 3.79Å; W122-L128 HydrophobicContact CZ2-CD2 4.47Å; W122-L128 HydrophobicContact CZ3-CD1 3.99Å; L125-L128 HydrophobicContact CD1-CB 4.44Å; L125-L128 HydrophobicContact CD1-CD1 4.41Å; L128-V130 HydrophobicContact CD2-CG2 4.49Å; L128-V130 HydrophobicContact CG-CG2 4.29Å
129L97.9Very high89Confident0 Ų029.4 Ų29.40%017%0.174CC..EExtended strand (participates in β ladder)trans-91.5127171.7-64.8168000109.2V16 V18 T31 L34 A35 L38 V45 G46 I47 L48 V127V16-L129 HydrophobicContact CB-CD2 4.01Å; V16-L129 HydrophobicContact CG1-CD2 4.07Å; V16-L129 CarbonylContact O-C 3.41Å; V16-L129 WeakPolarHBondContact O-CA 3.35Å; V18-L129 HydrophobicContact CG2-CD2 4.3Å; T31-L129 HydrophobicContact CG2-CB 3.98Å; L34-L129 HydrophobicContact CB-CD1 4.06Å; A35-L129 HydrophobicContact CB-CD1 3.73Å; L38-L129 HydrophobicContact CD1-CD1 4.38Å; V45-L129 HydrophobicContact CG1-CD1 4.35Å; G46-L129 PolarHBondContact O-N 3.1Å; I47-L129 CarbonylContact C-O 3.56Å; I47-L129 WeakPolarHBondContact CA-O 3.38Å; L48-L129 PolarHBondContact N-O 2.88Å; V127-L129 HydrophobicContact CG1-CD2 4.27Å; V127-L129 HydrophobicContact CG1-CG 4.27Å
130V95.7Very high88.3Confident0 Ų026.5 Ų26.50%016%0.159CC..EExtended strand (participates in β ladder)trans-107.5108.3178-172.60000108.9V15 V16 L17 V18 L48 V50 L128 T132 V143 L147V15-V130 HydrophobicContact CG1-CG2 4.09Å; V16-V130 PolarHBondContact O-N 3.41Å; L17-V130 HydrophobicContact CD2-CB 3.8Å; L17-V130 HydrophobicContact CD2-CG1 4.24Å; L17-V130 HydrophobicContact CD2-CG2 4.06Å; V18-V130 PolarHBondContact N-O 2.93Å; L48-V130 HydrophobicContact CB-CG1 4.4Å; L48-V130 HydrophobicContact CB-CG2 4.37Å; L48-V130 HydrophobicContact CD2-CG1 4.22Å; L48-V130 HydrophobicContact CD2-CG2 4.49Å; L48-V130 HydrophobicContact CG-CG1 4.29Å; L48-V130 CarbonylContact O-C 3.58Å; L48-V130 WeakPolarHBondContact O-CA 3.45Å; V50-V130 HydrophobicContact CG2-CG1 3.98Å; L128-V130 HydrophobicContact CD2-CG2 4.49Å; L128-V130 HydrophobicContact CG-CG2 4.29Å; V130-T132 HydrophobicContact CG1-CG2 4.15Å; V130-T132 PolarHBondContact O-N 2.88Å; V130-V143 HydrophobicContact CG1-CG1 4.14Å; V130-L147 HydrophobicContact CG2-CD1 4.43Å
131D94.6Very high87.7Confident0 Ų029.9 Ų29.90%018%0.176CC..EExtended strand (participates in β ladder)trans-80.4102175.1-163.741.3000109.2K27 S28 T31 L48 V50 I57K27-D131 WeakPolarHBondContact CD-OD1 3.24Å; K27-D131 WeakPolarHBondContact CG-OD1 3.3Å; K27-D131 IonicContact NZ-OD1 2.62Å; K27-D131 PolarHBondContact NZ-OD1 3.32Å; K27-D131 IonicContact NZ-OD2 2.96Å; K27-D131 PolarHBondContact NZ-OD2 2.57Å; S28-D131 VanDerWaalsContact CB-OD2 3.31Å; S28-D131 WeakPolarHBondContact CB-OD2 3.06Å; S28-D131 PolarHBondContact OG-OD2 3.3Å; T31-D131 HydrophobicContact CG2-CB 4.04Å; T31-D131 PolarHBondContact OG1-OD1 3.21Å; L48-D131 PolarHBondContact O-N 2.77Å; V50-D131 WeakPolarHBondContact CG2-O 3.17Å; V50-D131 PolarHBondContact N-O 3.26Å; V50-D131 VanDerWaalsContact N-O 3.1Å; I57-D131 HydrophobicContact CD1-CB 3.74Å
132T91.7Very high87.1Confident1 Ų128.9 Ų28.91%0.00617%0.168CC..PPolyproline II helixtrans-87.6161.1-173.968.50000112V18 L19 K27 V130 H140 V143V18-T132 PolarHBondContact O-N 3.36Å; V18-T132 PolarHBondContact O-OG1 2.92Å; L19-T132 HydrophobicContact CD2-CG2 3.64Å; L19-T132 VanDerWaalsContact CD2-OG1 3.23Å; L19-T132 WeakPolarHBondContact CD2-OG1 3.46Å; K27-T132 WeakPolarHBondContact CD-O 3.42Å; K27-T132 WeakPolarHBondContact CE-O 3.48Å; K27-T132 PolarHBondContact NZ-O 2.91Å; V130-T132 HydrophobicContact CG1-CG2 4.15Å; V130-T132 PolarHBondContact O-N 2.88Å; T132-H140 VanDerWaalsContact CB-CD2 3.48Å; T132-H140 WeakPolarHBondContact CB-CD2 3.46Å; T132-H140 WeakPolarHBondContact CB-NE2 3.36Å; T132-H140 PolarHBondContact OG1-NE2 2.88Å; T132-V143 HydrophobicContact CG2-CG1 4.29Å
133P88.2Confident86.6Confident0 Ų028.9 Ų28.90%017%0.168CC..PPolyproline II helixtrans-57159.6168.7-26.436.7000112.7V50 E139 H140V50-P133 WeakPolarHBondContact O-CG 3.2Å; P133-E139 HydrophobicContact CB-CB 4.33Å; P133-E139 HydrophobicContact CG-CB 3.83Å; P133-H140 PolarHBondContact O-CE1 2.8Å; P133-H140 PolarHBondContact O-NE2 2.73Å
134P86.8Confident86.2Confident35 Ų3527.9 Ų27.923%0.22716%0.155CC..SBendtrans-77.2155.3174.729.7-34.1000113.7K22K22-P134 VanDerWaalsContact C-CB 3.43Å
135G81.4Confident85.6Confident16 Ų1626.8 Ų26.817%0.16515%0.151CC..SBendtrans86.4-156.917200000113.3S20 G21 H140S20-G135 PolarHBondContact O-N 3.46Å; G21-G135 WeakPolarHBondContact O-CA 3.47Å; G135-H140 PolarHBondContact O-CE1 3.1Å; G135-H140 PolarHBondContact O-ND1 3.39Å
136T68.3Low84.9Confident76 Ų7627.6 Ų27.647%0.46616%0.155SC..SBendtrans-118.945.8175.661.60000111.4R171 E172 F175T136-R171 HydrophobicContact CG2-CB 4.2Å; T136-E172 WeakPolarHBondContact CG2-OE1 3.37Å; T136-F175 HydrophobicContact CG2-CB 4.32Å
137S71.9Confident84.2Confident40 Ų4026.5 Ų26.528%0.2815%0.149SC..  trans-72.1169.1-175.966.30000112.6E139 H140S137-E139 PolarHBondContact O-N 2.84Å; S137-E139 VanDerWaalsContact O-N 3.1Å; S137-E139 PolarHBondContact OG-N 2.79Å; S137-E139 PolarHBondContact OG-OE2 2.88Å; S137-H140 WeakPolarHBondContact O-CB 3.38Å; S137-H140 PolarHBondContact O-N 3.18Å
138D72.4Confident83.1Confident134 Ų13433.2 Ų33.272%0.71718%0.178SC*.Hα-helixtrans-56.7-24.2173.2-67.5-21.7000112.5H140 L141 A142D138-H140 VanDerWaalsContact C-N 3.32Å; D138-H140 PolarHBondContact O-N 2.85Å; D138-L141 PolarHBondContact O-N 3.21Å; D138-A142 PolarHBondContact O-N 3.43Å
139E75.3Confident82Confident31 Ų3140.3 Ų40.315%0.14521%0.209CC..Hα-helixtrans-66.9-34.1177.8-58.1163.3152.600111.2L52 K109 P133 S137 A142 V143L52-E139 HydrophobicContact CD1-CG 4.46Å; K109-E139 IonicContact NZ-OE1 2.77Å; K109-E139 PolarHBondContact NZ-OE1 2.88Å; P133-E139 HydrophobicContact CB-CB 4.33Å; P133-E139 HydrophobicContact CG-CB 3.83Å; S137-E139 PolarHBondContact O-N 2.84Å; S137-E139 VanDerWaalsContact O-N 3.1Å; S137-E139 PolarHBondContact OG-N 2.79Å; S137-E139 PolarHBondContact OG-OE2 2.88Å; E139-A142 WeakPolarHBondContact O-CB 3.42Å; E139-A142 PolarHBondContact O-N 2.98Å; E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.12Å
140H74.6Confident81.2Confident2 Ų242.5 Ų42.51%0.00922%0.219CC..Hα-helixtrans-66.8-41.4172.9-88.4152.9000113.3T132 P133 G135 S137 D138 A142 V143 L144 F175T132-H140 VanDerWaalsContact CB-CD2 3.48Å; T132-H140 WeakPolarHBondContact CB-CD2 3.46Å; T132-H140 WeakPolarHBondContact CB-NE2 3.36Å; T132-H140 PolarHBondContact OG1-NE2 2.88Å; P133-H140 PolarHBondContact O-CE1 2.8Å; P133-H140 PolarHBondContact O-NE2 2.73Å; G135-H140 PolarHBondContact O-CE1 3.1Å; G135-H140 PolarHBondContact O-ND1 3.39Å; S137-H140 WeakPolarHBondContact O-CB 3.38Å; S137-H140 PolarHBondContact O-N 3.18Å; D138-H140 VanDerWaalsContact C-N 3.32Å; D138-H140 PolarHBondContact O-N 2.85Å; H140-A142 VanDerWaalsContact C-N 3.3Å; H140-V143 PolarHBondContact O-N 3.32Å; H140-L144 PolarHBondContact O-N 3.2Å; H140-F175 HydrophobicContact CB-CE2 4.38Å; H140-F175 HydrophobicContact CB-CZ 3.93Å
141L79Confident80.6Confident70 Ų7049.4 Ų49.437%0.36625%0.249SC..Hα-helixtrans-64.3-40.9175.3-70.2173000110.2D138 V143 L144 E145 F175D138-L141 PolarHBondContact O-N 3.21Å; L141-V143 PolarHBondContact O-N 3.27Å; L141-L144 PolarHBondContact O-N 3.08Å; L141-E145 VanDerWaalsContact O-CB 3.29Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 VanDerWaalsContact O-CG 3.24Å; L141-E145 WeakPolarHBondContact O-CG 3.43Å; L141-E145 PolarHBondContact O-N 2.9Å; L141-F175 HydrophobicContact CD2-CE2 3.76Å; L141-F175 HydrophobicContact CG-CE2 4.35Å
142A81.4Confident80.4Confident3 Ų351.2 Ų51.23%0.02526%0.26CS..Hα-helixtrans-58.9-46.8174.700000112.4T110 I113 D138 E139 H140 E145 N146T110-A142 HydrophobicContact CG2-CB 3.8Å; I113-A142 HydrophobicContact CD1-CB 4.32Å; D138-A142 PolarHBondContact O-N 3.43Å; E139-A142 WeakPolarHBondContact O-CB 3.42Å; E139-A142 PolarHBondContact O-N 2.98Å; H140-A142 VanDerWaalsContact C-N 3.3Å; A142-E145 PolarHBondContact O-N 3.24Å; A142-N146 PolarHBondContact O-N 2.87Å; A142-N146 VanDerWaalsContact O-N 3.14Å; A142-N146 PolarHBondContact O-ND2 2.94Å
143V83.2Confident80.6Confident2 Ų252 Ų521%0.01226%0.264CS..Hα-helixtrans-58.9-50.7175.9172.10000110.3V50 I113 V130 T132 E139 H140 L141 E145 N146 L147V50-V143 HydrophobicContact CB-CG2 4.48Å; V50-V143 HydrophobicContact CG2-CG2 3.83Å; I113-V143 HydrophobicContact CD1-CG2 4.21Å; I113-V143 HydrophobicContact CG2-CB 4.28Å; I113-V143 HydrophobicContact CG2-CG2 3.62Å; V130-V143 HydrophobicContact CG1-CG1 4.14Å; T132-V143 HydrophobicContact CG2-CG1 4.29Å; E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.12Å; H140-V143 PolarHBondContact O-N 3.32Å; L141-V143 PolarHBondContact O-N 3.27Å; V143-E145 PolarHBondContact O-N 3.49Å; V143-N146 PolarHBondContact O-N 3Å; V143-L147 HydrophobicContact CG1-CD1 3.62Å; V143-L147 HydrophobicContact CG1-CG 4.41Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.45Å; V143-L147 PolarHBondContact O-N 3.22Å
144L83.3Confident80.9Confident9 Ų952 Ų525%0.04726%0.264CS..Hα-helixtrans-64.4-41.4-180-75.6-167.2000113.4L17 H140 L141 N146 L147 K148 F175 T179 V181L17-L144 HydrophobicContact CD1-CD2 3.35Å; H140-L144 PolarHBondContact O-N 3.2Å; L141-L144 PolarHBondContact O-N 3.08Å; L144-N146 VanDerWaalsContact C-N 3.29Å; L144-N146 PolarHBondContact O-N 3.17Å; L144-L147 CarbonylContact O-C 3.46Å; L144-L147 PolarHBondContact O-N 2.96Å; L144-K148 WeakPolarHBondContact O-CB 3.28Å; L144-K148 VanDerWaalsContact O-CG 3.28Å; L144-K148 WeakPolarHBondContact O-CG 3.48Å; L144-K148 PolarHBondContact O-N 2.81Å; L144-F175 HydrophobicContact CD1-CE1 3.43Å; L144-F175 VanDerWaalsContact CD1-CE1 3.43Å; L144-F175 HydrophobicContact CD1-CE2 4.04Å; L144-F175 HydrophobicContact CD1-CZ 3.13Å; L144-F175 HydrophobicContact CG-CE1 4.22Å; L144-F175 HydrophobicContact CG-CZ 3.89Å; L144-T179 HydrophobicContact CD1-CG2 3.64Å; L144-V181 HydrophobicContact CD1-CG2 4.09Å; L144-V181 HydrophobicContact CD2-CG2 3.82Å
145E82.8Confident81.4Confident108 Ų10850.4 Ų50.451%0.50525%0.254SS..Hα-helixtrans-63.7-37.5-179.4-78.2-180174.800112L141 A142 V143L141-E145 VanDerWaalsContact O-CB 3.29Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 VanDerWaalsContact O-CG 3.24Å; L141-E145 WeakPolarHBondContact O-CG 3.43Å; L141-E145 PolarHBondContact O-N 2.9Å; A142-E145 PolarHBondContact O-N 3.24Å; V143-E145 PolarHBondContact O-N 3.49Å
146N82.5Confident82.1Confident26 Ų2649.6 Ų49.614%0.13925%0.246CC..Hα-helixtrans-72.2-38.5173.7-73.2-71.7000111.5G114 V117 A142 V143 L144G114-N146 VanDerWaalsContact CA-OD1 3.26Å; G114-N146 WeakPolarHBondContact CA-OD1 3.46Å; V117-N146 HydrophobicContact CB-CB 4.18Å; V117-N146 HydrophobicContact CG1-CB 4.21Å; V117-N146 HydrophobicContact CG2-CB 4.22Å; A142-N146 PolarHBondContact O-N 2.87Å; A142-N146 VanDerWaalsContact O-N 3.14Å; A142-N146 PolarHBondContact O-ND2 2.94Å; V143-N146 PolarHBondContact O-N 3Å; L144-N146 VanDerWaalsContact C-N 3.29Å; L144-N146 PolarHBondContact O-N 3.17Å
147L82.3Confident83.5Confident1 Ų146 Ų461%0.00522%0.224CC..Hα-helixtrans-75.3-19.1177-71.4174.2000114.4L9 V15 L17 V117 V130 V143 L144 K149 H150 V152L9-L147 HydrophobicContact CD1-CD2 3.56Å; V15-L147 HydrophobicContact CG1-CD2 4.36Å; L17-L147 HydrophobicContact CD2-CD1 3.5Å; V117-L147 HydrophobicContact CB-CD2 4.49Å; V117-L147 HydrophobicContact CG1-CD2 3.66Å; V117-L147 HydrophobicContact CG1-CG 4.25Å; V117-L147 HydrophobicContact CG2-CD2 3.98Å; V117-L147 HydrophobicContact CG2-CG 4.13Å; V130-L147 HydrophobicContact CG2-CD1 4.43Å; V143-L147 HydrophobicContact CG1-CD1 3.62Å; V143-L147 HydrophobicContact CG1-CG 4.41Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.45Å; V143-L147 PolarHBondContact O-N 3.22Å; L144-L147 CarbonylContact O-C 3.46Å; L144-L147 PolarHBondContact O-N 2.96Å; L147-K149 PolarHBondContact O-N 3.41Å; L147-K149 VanDerWaalsContact O-N 3.1Å; L147-H150 CarbonylContact O-C 3.43Å; L147-H150 WeakPolarHBondContact O-CA 3.39Å; L147-H150 WeakPolarHBondContact O-CB 3.45Å; L147-H150 PolarHBondContact O-N 3.13Å; L147-V152 HydrophobicContact CB-CG2 3.76Å; L147-V152 HydrophobicContact CD1-CG2 4.37Å
148K74.9Confident84.7Confident142 Ų14244.1 Ų44.162%0.61721%0.21SC*.THydrogen-bonded Turntrans-58.5-22.9175.8-88.6175.9-170.51720113L144 H150L144-K148 WeakPolarHBondContact O-CB 3.28Å; L144-K148 VanDerWaalsContact O-CG 3.28Å; L144-K148 WeakPolarHBondContact O-CG 3.48Å; L144-K148 PolarHBondContact O-N 2.81Å; K148-H150 PolarHBondContact O-N 3.1Å
149K74.6Confident85.9Confident151 Ų15137.7 Ų37.766%0.65718%0.176SC*.THydrogen-bonded Turntrans-72.3-10.7173.6-60.9176-175.1169.80112.4L147L147-K149 PolarHBondContact O-N 3.41Å; L147-K149 VanDerWaalsContact O-N 3.1Å
150H79.6Confident86.8Confident46 Ų4636.5 Ų36.521%0.21317%0.171CC..SBendtrans-126.2162.4-175.7-56.4-75.9000110.3L9 L147 K148 V152L9-H150 HydrophobicContact CB-CB 4.47Å; L9-H150 HydrophobicContact CD1-CB 4.04Å; L147-H150 CarbonylContact O-C 3.43Å; L147-H150 WeakPolarHBondContact O-CA 3.39Å; L147-H150 WeakPolarHBondContact O-CB 3.45Å; L147-H150 PolarHBondContact O-N 3.13Å; K148-H150 PolarHBondContact O-N 3.1Å; H150-V152 PolarHBondContact O-N 3.45Å
151K83.3Confident87.4Confident144 Ų14436.6 Ų36.663%0.62617%0.172SC*.  trans-77.2116174.3-174.6-175.3173.1-164.90108.4D153K151-D153 IonicContact NZ-OD1 3.98Å
152V91.5Very high87.8Confident38 Ų3835.9 Ų35.923%0.2317%0.166CC..  trans-100.9119.8168.7178.70000108V15 L17 L147 H150V15-V152 HydrophobicContact CG1-CG2 4.46Å; L17-V152 HydrophobicContact CD1-CG1 4.09Å; L17-V152 HydrophobicContact CD2-CG1 4.5Å; L17-V152 HydrophobicContact CG-CG1 3.95Å; L147-V152 HydrophobicContact CB-CG2 3.76Å; L147-V152 HydrophobicContact CD1-CG2 4.37Å; H150-V152 PolarHBondContact O-N 3.45Å
153D94.9Very high87.7Confident19 Ų1939.5 Ų39.510%0.10220%0.196CC..  trans-75.7-29.7-176.1-59.9-102.3000111.8H14 V15 K151 L265H14-D153 WeakPolarHBondContact CA-OD2 3.47Å; H14-D153 IonicContact CE1-OD1 3.59Å; H14-D153 IonicContact CG-OD1 3.96Å; H14-D153 IonicContact ND1-OD1 3.95Å; H14-D153 PolarHBondContact ND1-OD1 3.38Å; H14-D153 IonicContact ND1-OD2 2.76Å; V15-D153 PolarHBondContact N-OD2 3.32Å; V15-D153 PolarHBondContact O-N 2.91Å; K151-D153 IonicContact NZ-OD1 3.98Å; D153-L265 HydrophobicContact CB-CD2 3.78Å
154G95.3Very high87.6Confident0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans160-163.1169.400000114.4V16 L17 R182V16-G154 WeakPolarHBondContact CA-O 3.09Å; L17-G154 PolarHBondContact N-O 2.92Å; G154-R182 CarbonylContact C-O 3.38Å; G154-R182 WeakPolarHBondContact CA-O 3.42Å
155A96.1Very high87.5Confident0 Ų043.9 Ų43.90%022%0.223CC..EExtended strand (participates in β ladder)trans-127.6137.5-177.400000112.4L17 L19 V181 R182 L184L17-A155 HydrophobicContact CB-CB 4.04Å; L17-A155 CarbonylContact O-C 3.6Å; L17-A155 VanDerWaalsContact O-CA 3.27Å; L17-A155 WeakPolarHBondContact O-CA 3.44Å; L19-A155 HydrophobicContact CD1-CB 3.74Å; L19-A155 HydrophobicContact CG-CB 4.06Å; A155-V181 HydrophobicContact CB-CG1 3.79Å; A155-R182 PolarHBondContact N-O 3.23Å; A155-L184 PolarHBondContact O-N 3.08Å
156V98.1Very high87.4Confident0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-94.8128.5162.9175.20000108.1V16 L17 V18 L19 L184 G185 V187 L222 L261V16-V156 HydrophobicContact CG1-CG2 3.96Å; L17-V156 PolarHBondContact O-N 3.43Å; V18-V156 WeakPolarHBondContact CA-O 3.36Å; L19-V156 PolarHBondContact N-O 3.41Å; V156-L184 HydrophobicContact CG2-CB 4.4Å; V156-G185 WeakPolarHBondContact CA-O 3.48Å; V156-V187 HydrophobicContact CG1-CG2 3.77Å; V156-L222 HydrophobicContact CG1-CD1 4.05Å; V156-L222 HydrophobicContact CG2-CD1 4.12Å; V156-L261 HydrophobicContact CG2-CD1 3.77Å; V156-L261 HydrophobicContact CG2-CD2 4.14Å
157L97.3Very high87.3Confident0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-101.9122.7178.8-55.5-178.7000110.1L19 V169 E172 I173 I183 G185 I186 V187L19-L157 HydrophobicContact CB-CD2 3.72Å; L19-L157 HydrophobicContact CD1-CD2 3.81Å; L19-L157 HydrophobicContact CG-CD2 4.16Å; L157-V169 HydrophobicContact CB-CG1 4.02Å; L157-V169 HydrophobicContact CD1-CG1 3.96Å; L157-E172 HydrophobicContact CD2-CB 3.99Å; L157-I173 HydrophobicContact CD1-CD1 4.19Å; L157-I173 HydrophobicContact CD1-CG1 3.36Å; L157-I183 HydrophobicContact CD1-CD1 4.36Å; L157-I183 HydrophobicContact CD1-CG2 4.11Å; L157-I183 HydrophobicContact CG-CG2 4.35Å; L157-G185 PolarHBondContact N-O 3.47Å; L157-I186 HydrophobicContact CB-CG1 4.22Å; L157-I186 HydrophobicContact CD1-CG1 4.32Å; L157-I186 CarbonylContact O-C 3.53Å; L157-I186 WeakPolarHBondContact O-CA 3.37Å; L157-V187 PolarHBondContact O-N 2.89Å
158V97.3Very high87.4Confident0 Ų041.2 Ų41.20%022%0.22CC..EExtended strand (participates in β ladder)trans-99.9128177.7-174.30000109.9V18 L19 V25 I30 N189V18-V158 HydrophobicContact CG1-CG2 3.67Å; L19-V158 PolarHBondContact O-N 3.04Å; V25-V158 HydrophobicContact CG2-CB 4.45Å; V25-V158 HydrophobicContact CG2-CG1 4.07Å; I30-V158 HydrophobicContact CB-CG1 4.48Å; I30-V158 HydrophobicContact CB-CG2 4.07Å; I30-V158 HydrophobicContact CG1-CG1 3.95Å; I30-V158 HydrophobicContact CG1-CG2 4.38Å; I30-V158 HydrophobicContact CG2-CG2 3.94Å; V158-N189 HydrophobicContact CG1-CB 4.18Å
159T95.8Very high88Confident0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-134.4168.7174.2-1670000110.8S165 I186 V187 E188 N189T159-S165 WeakPolarHBondContact OG1-CB 3.36Å; T159-S165 PolarHBondContact OG1-OG 3.42Å; T159-I186 HydrophobicContact CG2-CG2 4.08Å; T159-V187 PolarHBondContact N-O 2.76Å; T159-E188 HydrophobicContact CG2-CB 4.43Å; T159-E188 HydrophobicContact CG2-CG 4.44Å; T159-E188 CarbonylContact O-C 3.56Å; T159-E188 WeakPolarHBondContact O-CA 3.36Å; T159-N189 PolarHBondContact O-N 3.3Å
160T94.2Very high88.7Confident5 Ų533.5 Ų33.53%0.03118%0.183CC..  trans-106.9166.3160.659.60000110.9V25 Q162 S165 N189 M190V25-T160 HydrophobicContact CB-CG2 3.91Å; V25-T160 HydrophobicContact CG1-CG2 4.05Å; T160-Q162 PolarHBondContact O-N 2.88Å; T160-Q162 PolarHBondContact OG1-OE1 3.08Å; T160-S165 PolarHBondContact N-OG 3.07Å; T160-S165 VanDerWaalsContact N-OG 3.13Å; T160-S165 WeakPolarHBondContact OG1-CB 3.47Å; T160-S165 PolarHBondContact OG1-OG 2.88Å; T160-N189 WeakPolarHBondContact CA-O 3.03Å; T160-M190 HydrophobicContact CG2-CB 4.21Å; T160-M190 HydrophobicContact CG2-CG 4.19Å; T160-M190 HydrophobicContact CG2-SD 4Å
161P89Confident89.2Confident5 Ų539 Ų393%0.03220%0.202CC..SBendtrans-67-14.2-175.8-2231000115.5E188 N189 S206P161-E188 WeakPolarHBondContact CA-OE2 3.4Å; P161-E188 HydrophobicContact CB-CG 4.44Å; P161-E188 HydrophobicContact CG-CG 3.8Å; P161-N189 VanDerWaalsContact CD-O 3.3Å; P161-N189 WeakPolarHBondContact CD-O 3.48Å; P161-S206 WeakPolarHBondContact CB-O 3.46Å; P161-S206 WeakPolarHBondContact CB-OG 3.44Å; P161-S206 VanDerWaalsContact CG-O 3.24Å; P161-S206 WeakPolarHBondContact CG-O 3.5Å; P161-S206 PolarHBondContact O-OG 3.3Å
162Q86.9Confident89.6Confident54 Ų5432.2 Ų32.225%0.25217%0.172SC..SBendtrans-73.3140.4-175.3-56.586.71.700111T160 V164 S165 T166 S206T160-Q162 PolarHBondContact O-N 2.88Å; T160-Q162 PolarHBondContact OG1-OE1 3.08Å; Q162-V164 PolarHBondContact O-N 3.15Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 2.66Å; Q162-T166 PolarHBondContact O-N 3.19Å; Q162-S206 WeakPolarHBondContact CA-OG 3.24Å; Q162-S206 PolarHBondContact N-OG 2.99Å
163A79.9Confident89.6Confident79 Ų7930.6 Ų30.665%0.65316%0.162SC*.Hα-helixtrans-55.4-31-176.400000114.2T166 G167A163-T166 WeakPolarHBondContact CA-OG1 3.3Å; A163-T166 PolarHBondContact O-OG1 3.15Å; A163-T166 VanDerWaalsContact O-OG1 3.08Å; A163-G167 PolarHBondContact O-N 3.19Å
164V80.4Confident89.4Confident104 Ų10433 Ų3363%0.6318%0.177SC*.Hα-helixtrans-63.4-45.7175.2-177.90000110.5Q162 G167 D168Q162-V164 PolarHBondContact O-N 3.15Å; V164-G167 PolarHBondContact O-N 2.74Å; V164-D168 PolarHBondContact O-N 3.27Å; V164-D168 VanDerWaalsContact O-N 3.14Å
165S80.1Confident89.2Confident0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-65.3-43178.9-167.70000112.1K22 T159 T160 Q162 G167 D168 V169K22-S165 VanDerWaalsContact CE-CB 3.48Å; K22-S165 WeakPolarHBondContact CE-OG 3.49Å; T159-S165 WeakPolarHBondContact OG1-CB 3.36Å; T159-S165 PolarHBondContact OG1-OG 3.42Å; T160-S165 PolarHBondContact N-OG 3.07Å; T160-S165 VanDerWaalsContact N-OG 3.13Å; T160-S165 WeakPolarHBondContact OG1-CB 3.47Å; T160-S165 PolarHBondContact OG1-OG 2.88Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 2.66Å; S165-G167 VanDerWaalsContact C-N 3.28Å; S165-G167 PolarHBondContact O-N 3.14Å; S165-D168 PolarHBondContact O-N 2.72Å; S165-V169 PolarHBondContact O-N 3.45Å
166T80.9Confident89Confident16 Ų1634 Ų3410%0.09818%0.182CC..Hα-helixtrans-69-30.9179.661.30000111.6Q162 A163 V169 R170 G209Q162-T166 PolarHBondContact O-N 3.19Å; A163-T166 WeakPolarHBondContact CA-OG1 3.3Å; A163-T166 PolarHBondContact O-OG1 3.15Å; A163-T166 VanDerWaalsContact O-OG1 3.08Å; T166-V169 PolarHBondContact O-N 2.61Å; T166-R170 WeakPolarHBondContact O-CG 3.4Å; T166-R170 PolarHBondContact O-N 3.16Å; T166-G209 VanDerWaalsContact CG2-C 3.49Å; T166-G209 WeakPolarHBondContact CG2-O 3.23Å
167G81.4Confident88.6Confident29 Ų2940.9 Ų40.930%0.29921%0.212SC..Hα-helixtrans-61.3-42169.800000113.1A163 V164 S165 R170A163-G167 PolarHBondContact O-N 3.19Å; V164-G167 PolarHBondContact O-N 2.74Å; S165-G167 VanDerWaalsContact C-N 3.28Å; S165-G167 PolarHBondContact O-N 3.14Å; G167-R170 WeakPolarHBondContact O-CB 3.28Å; G167-R170 PolarHBondContact O-N 2.86Å
168D84.8Confident88.3Confident33 Ų3349.1 Ų49.118%0.17625%0.248CC..Hα-helixtrans-69.2-41.4177-64.5-35.4000111.5V164 S165 R170 R171V164-D168 PolarHBondContact O-N 3.27Å; V164-D168 VanDerWaalsContact O-N 3.14Å; S165-D168 PolarHBondContact O-N 2.72Å; D168-R170 PolarHBondContact O-N 3.33Å; D168-R171 VanDerWaalsContact O-CB 3.26Å; D168-R171 WeakPolarHBondContact O-CB 3.5Å; D168-R171 PolarHBondContact O-N 2.9Å
169V87.6Confident87.9Confident0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-65.2-23.3177.4175.10000113.1L157 S165 T166 R171 E172 I173 L213L157-V169 HydrophobicContact CB-CG1 4.02Å; L157-V169 HydrophobicContact CD1-CG1 3.96Å; S165-V169 PolarHBondContact O-N 3.45Å; T166-V169 PolarHBondContact O-N 2.61Å; V169-R171 PolarHBondContact O-N 3.47Å; V169-E172 WeakPolarHBondContact O-CB 3.4Å; V169-E172 PolarHBondContact O-N 3.04Å; V169-E172 VanDerWaalsContact O-N 3.12Å; V169-I173 HydrophobicContact CG1-CD1 4.43Å; V169-I173 HydrophobicContact CG1-CG1 4.47Å; V169-I173 WeakPolarHBondContact O-CG1 3.43Å; V169-I173 PolarHBondContact O-N 3.35Å; V169-L213 HydrophobicContact CB-CD2 3.89Å; V169-L213 HydrophobicContact CG1-CD2 3.69Å
170R89.1Confident87.6Confident131 Ų13154.2 Ų54.249%0.49429%0.292SS..Hα-helixtrans-59.9-31.5169-72.3173.1-179.6-175.81.3112.7T166 G167 D168 T174 L213T166-R170 WeakPolarHBondContact O-CG 3.4Å; T166-R170 PolarHBondContact O-N 3.16Å; G167-R170 WeakPolarHBondContact O-CB 3.28Å; G167-R170 PolarHBondContact O-N 2.86Å; D168-R170 PolarHBondContact O-N 3.33Å; R170-T174 PolarHBondContact O-N 2.85Å; R170-T174 VanDerWaalsContact O-N 3.1Å; R170-T174 PolarHBondContact O-OG1 2.81Å; R170-L213 HydrophobicContact CG-CD1 3.48Å; R170-L213 VanDerWaalsContact CG-CD1 3.48Å
171R89.2Confident87.5Confident162 Ų16254.9 Ų54.961%0.61130%0.297SS*.Hα-helixtrans-69.8-41.3175-59.6178.8178168.40.9110.4T136 D168 V169 I173 T174 F175T136-R171 HydrophobicContact CG2-CB 4.2Å; D168-R171 VanDerWaalsContact O-CB 3.26Å; D168-R171 WeakPolarHBondContact O-CB 3.5Å; D168-R171 PolarHBondContact O-N 2.9Å; V169-R171 PolarHBondContact O-N 3.47Å; R171-I173 VanDerWaalsContact C-N 3.35Å; R171-I173 PolarHBondContact O-N 2.92Å; R171-T174 CarbonylContact O-C 3.56Å; R171-T174 WeakPolarHBondContact O-CB 3.39Å; R171-T174 PolarHBondContact O-N 2.78Å; R171-T174 VanDerWaalsContact O-N 3.13Å; R171-F175 WeakPolarHBondContact O-CB 3.5Å; R171-F175 PolarHBondContact O-N 3.23Å
172E90.8Very high87.8Confident1 Ų159.9 Ų59.91%0.00532%0.315CS..Hα-helixtrans-60.8-41.3173.6-61.4-47.2128.100112.7T136 L157 V169 T174 F175 C176T136-E172 WeakPolarHBondContact CG2-OE1 3.37Å; L157-E172 HydrophobicContact CD2-CB 3.99Å; V169-E172 WeakPolarHBondContact O-CB 3.4Å; V169-E172 PolarHBondContact O-N 3.04Å; V169-E172 VanDerWaalsContact O-N 3.12Å; E172-T174 VanDerWaalsContact C-N 3.29Å; E172-T174 PolarHBondContact O-N 2.79Å; E172-F175 WeakPolarHBondContact O-CB 3.31Å; E172-F175 PolarHBondContact O-N 2.92Å; E172-C176 PolarHBondContact O-N 3.43Å; E172-C176 PolarHBondContact O-SG 2.97Å
173I92.6Very high88.2Confident4 Ų458.8 Ų58.82%0.02131%0.311CS..Hα-helixtrans-61.5-42.4175-67.7172.1000110.5L157 V169 R171 K177 I183 I186 L213 T217L157-I173 HydrophobicContact CD1-CD1 4.19Å; L157-I173 HydrophobicContact CD1-CG1 3.36Å; V169-I173 HydrophobicContact CG1-CD1 4.43Å; V169-I173 HydrophobicContact CG1-CG1 4.47Å; V169-I173 WeakPolarHBondContact O-CG1 3.43Å; V169-I173 PolarHBondContact O-N 3.35Å; R171-I173 VanDerWaalsContact C-N 3.35Å; R171-I173 PolarHBondContact O-N 2.92Å; I173-K177 HydrophobicContact CG2-CD 4.45Å; I173-K177 WeakPolarHBondContact O-CG 3.29Å; I173-K177 PolarHBondContact O-N 3.32Å; I173-K177 VanDerWaalsContact O-N 3.08Å; I173-I183 HydrophobicContact CB-CD1 4.21Å; I173-I183 HydrophobicContact CG1-CD1 4.1Å; I173-I183 HydrophobicContact CG2-CD1 3.86Å; I173-I186 HydrophobicContact CD1-CD1 4.13Å; I173-L213 HydrophobicContact CD1-CD1 4.11Å; I173-L213 HydrophobicContact CD1-CD2 4.12Å; I173-L213 HydrophobicContact CD1-CG 4.03Å; I173-T217 HydrophobicContact CD1-CG2 3.71Å; I173-T217 HydrophobicContact CG2-CG2 4.36Å
174T91Very high89Confident69 Ų6955.3 Ų55.342%0.42328%0.281SS..Hα-helixtrans-67-39.3177.3-56.10000111.3R170 R171 E172 K177 K178R170-T174 PolarHBondContact O-N 2.85Å; R170-T174 VanDerWaalsContact O-N 3.1Å; R170-T174 PolarHBondContact O-OG1 2.81Å; R171-T174 CarbonylContact O-C 3.56Å; R171-T174 WeakPolarHBondContact O-CB 3.39Å; R171-T174 PolarHBondContact O-N 2.78Å; R171-T174 VanDerWaalsContact O-N 3.13Å; E172-T174 VanDerWaalsContact C-N 3.29Å; E172-T174 PolarHBondContact O-N 2.79Å; T174-K177 PolarHBondContact O-N 3.24Å; T174-K178 HydrophobicContact CG2-CD 4.31Å; T174-K178 WeakPolarHBondContact O-CG 3.33Å; T174-K178 PolarHBondContact O-N 2.98Å
175F89.8Confident89.8Confident22 Ų2250.3 Ų50.310%0.09625%0.251CS..Hα-helixtrans-59.1-53174.2169.7-99.2000110.9L19 T136 H140 L141 L144 R171 E172 K177 K178 T179L19-F175 HydrophobicContact CD1-CD1 4.48Å; T136-F175 HydrophobicContact CG2-CB 4.32Å; H140-F175 HydrophobicContact CB-CE2 4.38Å; H140-F175 HydrophobicContact CB-CZ 3.93Å; L141-F175 HydrophobicContact CD2-CE2 3.76Å; L141-F175 HydrophobicContact CG-CE2 4.35Å; L144-F175 HydrophobicContact CD1-CE1 3.43Å; L144-F175 VanDerWaalsContact CD1-CE1 3.43Å; L144-F175 HydrophobicContact CD1-CE2 4.04Å; L144-F175 HydrophobicContact CD1-CZ 3.13Å; L144-F175 HydrophobicContact CG-CE1 4.22Å; L144-F175 HydrophobicContact CG-CZ 3.89Å; R171-F175 WeakPolarHBondContact O-CB 3.5Å; R171-F175 PolarHBondContact O-N 3.23Å; E172-F175 WeakPolarHBondContact O-CB 3.31Å; E172-F175 PolarHBondContact O-N 2.92Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 2.81Å; F175-K178 PolarHBondContact O-N 2.9Å; F175-T179 HydrophobicContact CD2-CG2 4.03Å; F175-T179 HydrophobicContact CE2-CG2 3.84Å; F175-T179 HydrophobicContact CG-CG2 4.47Å; F175-T179 HydrophobicContact CZ-CG2 4.13Å; F175-T179 WeakPolarHBondContact O-CG2 3.31Å; F175-T179 PolarHBondContact O-N 2.78Å; F175-T179 PolarHBondContact O-OG1 2.84Å
176C91.8Very high90.7Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-54.4-44.7176.8-67.40000111.9E172 K178 T179 G180 V181 I183E172-C176 PolarHBondContact O-N 3.43Å; E172-C176 PolarHBondContact O-SG 2.97Å; C176-K178 PolarHBondContact O-N 3.45Å; C176-T179 PolarHBondContact O-N 2.84Å; C176-T179 PolarHBondContact O-OG1 3.06Å; C176-G180 PolarHBondContact O-N 2.83Å; C176-V181 HydrophobicContact CB-CB 4.33Å; C176-V181 WeakPolarHBondContact CB-O 3.43Å; C176-V181 PolarHBondContact O-N 2.97Å; C176-I183 HydrophobicContact CB-CD1 4.08Å; C176-I183 HydrophobicContact CB-CG1 3.8Å
177K91.6Very high91.5Very high144 Ų14449.6 Ų49.663%0.62625%0.246SC*.Hα-helixtrans-61-40.5175.8-73.3177.8-177.9-175.20112.9I173 T174 F175I173-K177 HydrophobicContact CG2-CD 4.45Å; I173-K177 WeakPolarHBondContact O-CG 3.29Å; I173-K177 PolarHBondContact O-N 3.32Å; I173-K177 VanDerWaalsContact O-N 3.08Å; T174-K177 PolarHBondContact O-N 3.24Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 2.81Å
178K90.1Very high92.2Very high173 Ų17348.2 Ų48.275%0.75223%0.232SC*.Hα-helixtrans-72.8-32.5179.5-75.3177.9175.7-176.40112.7T174 F175 C176T174-K178 HydrophobicContact CG2-CD 4.31Å; T174-K178 WeakPolarHBondContact O-CG 3.33Å; T174-K178 PolarHBondContact O-N 2.98Å; F175-K178 PolarHBondContact O-N 2.9Å; C176-K178 PolarHBondContact O-N 3.45Å
179T88Confident92.8Very high39 Ų3947 Ų4724%0.23923%0.225CC..Hα-helixtrans-93.9-6.6-176.758.10000113.1L144 F175 C176 V181L144-T179 HydrophobicContact CD1-CG2 3.64Å; F175-T179 HydrophobicContact CD2-CG2 4.03Å; F175-T179 HydrophobicContact CE2-CG2 3.84Å; F175-T179 HydrophobicContact CG-CG2 4.47Å; F175-T179 HydrophobicContact CZ-CG2 4.13Å; F175-T179 WeakPolarHBondContact O-CG2 3.31Å; F175-T179 PolarHBondContact O-N 2.78Å; F175-T179 PolarHBondContact O-OG1 2.84Å; C176-T179 PolarHBondContact O-N 2.84Å; C176-T179 PolarHBondContact O-OG1 3.06Å; T179-V181 VanDerWaalsContact C-N 3.29Å; T179-V181 WeakPolarHBondContact OG1-CG2 3.34Å
180G89.8Confident93Very high68 Ų6849.4 Ų49.470%0.70124%0.237SC*.THydrogen-bonded Turntrans78.211.3-179.600000113.8C176 R182C176-G180 PolarHBondContact O-N 2.83Å; G180-R182 PolarHBondContact O-N 2.82Å
181V92.4Very high93.2Very high20 Ų2043.4 Ų43.412%0.12122%0.216CC..  trans-76.5124177.4178.60000109.1L17 L144 A155 C176 T179L17-V181 HydrophobicContact CD1-CG1 4.2Å; L144-V181 HydrophobicContact CD1-CG2 4.09Å; L144-V181 HydrophobicContact CD2-CG2 3.82Å; A155-V181 HydrophobicContact CB-CG1 3.79Å; C176-V181 HydrophobicContact CB-CB 4.33Å; C176-V181 WeakPolarHBondContact CB-O 3.43Å; C176-V181 PolarHBondContact O-N 2.97Å; T179-V181 VanDerWaalsContact C-N 3.29Å; T179-V181 WeakPolarHBondContact OG1-CG2 3.34Å
182R94.6Very high93.3Very high109 Ų10935.8 Ų35.841%0.41119%0.187SC..  trans-65.6136.7174.4177.2-179.5175-179.4-1.9110.2G154 A155 G180 L184 D268G154-R182 CarbonylContact C-O 3.38Å; G154-R182 WeakPolarHBondContact CA-O 3.42Å; A155-R182 PolarHBondContact N-O 3.23Å; G180-R182 PolarHBondContact O-N 2.82Å; R182-L184 HydrophobicContact CG-CD2 4.4Å; R182-D268 IonicContact CZ-OD2 3.88Å; R182-D268 IonicContact NH1-OD2 3.98Å; R182-D268 PolarHBondContact NH1-OD2 2.92Å
183I95.9Very high93.4Very high32 Ų3238.4 Ų38.416%0.16420%0.199CC..EExtended strand (participates in β ladder)trans-88.6113.2171.5-60.4167.1000107.7L157 I173 C176L157-I183 HydrophobicContact CD1-CD1 4.36Å; L157-I183 HydrophobicContact CD1-CG2 4.11Å; L157-I183 HydrophobicContact CG-CG2 4.35Å; I173-I183 HydrophobicContact CB-CD1 4.21Å; I173-I183 HydrophobicContact CG1-CD1 4.1Å; I173-I183 HydrophobicContact CG2-CD1 3.86Å; C176-I183 HydrophobicContact CB-CD1 4.08Å; C176-I183 HydrophobicContact CB-CG1 3.8Å
184L97.3Very high93.4Very high5 Ų538.8 Ų38.83%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-77.4-31177-61.2174.5000111.1V16 A155 V156 R182 L261 L265V16-L184 HydrophobicContact CB-CD1 4.4Å; V16-L184 HydrophobicContact CG1-CD1 3.84Å; V16-L184 HydrophobicContact CG2-CD1 3.8Å; A155-L184 PolarHBondContact O-N 3.08Å; V156-L184 HydrophobicContact CG2-CB 4.4Å; R182-L184 HydrophobicContact CG-CD2 4.4Å; L184-L261 HydrophobicContact CB-CD1 3.99Å; L184-L261 HydrophobicContact CD1-CD1 3.73Å; L184-L261 HydrophobicContact CG-CD1 4.46Å; L184-L265 HydrophobicContact CD1-CD2 3.92Å; L184-L265 HydrophobicContact CD2-CD2 4.36Å
185G97.6Very high93.3Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans160.7-177.8166.200000113.9V156 L157 V220V156-G185 WeakPolarHBondContact CA-O 3.48Å; L157-G185 PolarHBondContact N-O 3.47Å; G185-V220 CarbonylContact C-O 3.43Å; G185-V220 WeakPolarHBondContact CA-O 3.39Å
186I98Very high93Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-112.1130.5-177.5-57.4179.3000109.2L157 T159 I173 L213 A214 V220 F221 L222L157-I186 HydrophobicContact CB-CG1 4.22Å; L157-I186 HydrophobicContact CD1-CG1 4.32Å; L157-I186 CarbonylContact O-C 3.53Å; L157-I186 WeakPolarHBondContact O-CA 3.37Å; T159-I186 HydrophobicContact CG2-CG2 4.08Å; I173-I186 HydrophobicContact CD1-CD1 4.13Å; I186-L213 HydrophobicContact CD1-CD2 4.22Å; I186-L213 HydrophobicContact CD1-CG 4.06Å; I186-A214 HydrophobicContact CD1-CB 4.02Å; I186-V220 PolarHBondContact N-O 3.37Å; I186-F221 HydrophobicContact CB-CD2 4.47Å; I186-L222 PolarHBondContact O-N 2.97Å
187V98.3Very high92.6Very high0 Ų048.4 Ų48.40%025%0.252CS..EExtended strand (participates in β ladder)trans-106.4126.6170.1177.20000108.9I30 V156 L157 T159 L222 V225 I257I30-V187 HydrophobicContact CD1-CG1 4.12Å; I30-V187 HydrophobicContact CG1-CG1 4.33Å; I30-V187 HydrophobicContact CG2-CG1 4.21Å; V156-V187 HydrophobicContact CG1-CG2 3.77Å; L157-V187 PolarHBondContact O-N 2.89Å; T159-V187 PolarHBondContact N-O 2.76Å; V187-L222 HydrophobicContact CG2-CB 4.04Å; V187-L222 HydrophobicContact CG2-CD1 3.93Å; V187-V225 HydrophobicContact CG1-CG2 4.33Å; V187-I257 HydrophobicContact CG1-CD1 4.11Å; V187-I257 HydrophobicContact CG2-CG2 3.77Å
188E96.9Very high92.4Very high0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-97.399.4172.5-172.2-17571.500110.2T159 P161 S191 G208 G209 G210 F221 G223 S224 V225T159-E188 HydrophobicContact CG2-CB 4.43Å; T159-E188 HydrophobicContact CG2-CG 4.44Å; T159-E188 CarbonylContact O-C 3.56Å; T159-E188 WeakPolarHBondContact O-CA 3.36Å; P161-E188 WeakPolarHBondContact CA-OE2 3.4Å; P161-E188 HydrophobicContact CB-CG 4.44Å; P161-E188 HydrophobicContact CG-CG 3.8Å; E188-S191 WeakPolarHBondContact OE1-CB 3.33Å; E188-S191 PolarHBondContact OE1-OG 3.27Å; E188-G208 PolarHBondContact OE1-N 2.95Å; E188-G208 VanDerWaalsContact OE2-C 3.28Å; E188-G208 WeakPolarHBondContact OE2-CA 3.31Å; E188-G208 PolarHBondContact OE2-N 3.49Å; E188-G208 VanDerWaalsContact OE2-N 3.09Å; E188-G209 PolarHBondContact OE2-N 3.47Å; E188-G210 PolarHBondContact OE2-N 2.77Å; E188-F221 HydrophobicContact CB-CE2 3.89Å; E188-F221 HydrophobicContact CB-CZ 4.03Å; E188-G223 PolarHBondContact N-O 3.48Å; E188-S224 CarbonylContact O-C 3.56Å; E188-S224 WeakPolarHBondContact O-CA 3.29Å; E188-S224 PolarHBondContact OE1-OG 3.21Å; E188-V225 PolarHBondContact O-N 3.05Å
189N96.1Very high92.1Very high8 Ų841 Ų414%0.04324%0.239CC..  trans-81.8160.9175.8-167.424.2000111.7V25 I30 V158 T159 T160 P161 S191 V225V25-N189 WeakPolarHBondContact O-CB 3.14Å; V25-N189 PolarHBondContact O-ND2 3.01Å; I30-N189 HydrophobicContact CD1-CB 4.2Å; I30-N189 HydrophobicContact CG1-CB 4.15Å; V158-N189 HydrophobicContact CG1-CB 4.18Å; T159-N189 PolarHBondContact O-N 3.3Å; T160-N189 WeakPolarHBondContact CA-O 3.03Å; P161-N189 VanDerWaalsContact CD-O 3.3Å; P161-N189 WeakPolarHBondContact CD-O 3.48Å; N189-S191 PolarHBondContact O-N 2.71Å; N189-V225 CarbonylContact C-O 3.49Å
190M93.1Very high92.1Very high51 Ų5145.7 Ų45.725%0.25126%0.258SS..SBendtrans56.535.8179.7-48.8-177.3-178.900113.7T160 V225 L227T160-M190 HydrophobicContact CG2-CB 4.21Å; T160-M190 HydrophobicContact CG2-CG 4.19Å; T160-M190 HydrophobicContact CG2-SD 4Å; M190-V225 PolarHBondContact N-O 3.3Å; M190-L227 HydrophobicContact CB-CD1 4.27Å; M190-L227 HydrophobicContact CB-CD2 3.82Å; M190-L227 HydrophobicContact CB-CG 3.83Å; M190-L227 HydrophobicContact CG-CD2 3.63Å; M190-L227 HydrophobicContact CG-CG 4.22Å; M190-L227 HydrophobicContact SD-CD2 4.16Å
191S92.1Very high91.9Very high5 Ų545.6 Ų45.64%0.03525%0.246CC..  trans-10194.7-177.4-169.40000111.4E188 N189 V225 P226E188-S191 WeakPolarHBondContact OE1-CB 3.33Å; E188-S191 PolarHBondContact OE1-OG 3.27Å; N189-S191 PolarHBondContact O-N 2.71Å; S191-V225 PolarHBondContact N-O 3.44Å; S191-P226 WeakPolarHBondContact O-CA 3.04Å
192G91.4Very high91.7Very high2 Ų247 Ų472%0.02126%0.257CS..SBendtrans90.2176.4-168.900000112.4S202 L227G192-S202 CarbonylContact C-O 3.53Å; G192-S202 VanDerWaalsContact CA-O 3.32Å; G192-S202 WeakPolarHBondContact CA-O 3.43Å; G192-L227 WeakPolarHBondContact O-CB 3.3Å; G192-L227 PolarHBondContact O-N 3.42Å
193F93.4Very high91.4Very high56 Ų5646.1 Ų46.125%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-141.2121.5-178.7170.8-100.4000109.6C195 C201 S202 I204 L227 P229F193-C195 HydrophobicContact CE1-CB 4.48Å; F193-C201 CarbonylContact O-C 3.48Å; F193-C201 VanDerWaalsContact O-CA 3.28Å; F193-C201 WeakPolarHBondContact O-CA 3.47Å; F193-S202 PolarHBondContact N-O 3.38Å; F193-S202 PolarHBondContact O-N 3.39Å; F193-I204 HydrophobicContact CB-CD1 3.9Å; F193-I204 HydrophobicContact CB-CG1 3.97Å; F193-I204 HydrophobicContact CB-CG2 3.95Å; F193-I204 HydrophobicContact CD2-CD1 4.36Å; F193-I204 HydrophobicContact CG-CD1 4.25Å; F193-I204 HydrophobicContact CG-CG2 4.43Å; F193-L227 CarbonylContact C-O 3.36Å; F193-L227 VanDerWaalsContact CA-O 3.31Å; F193-L227 WeakPolarHBondContact CA-O 3.39Å; F193-L227 HydrophobicContact CB-CB 4.39Å; F193-L227 HydrophobicContact CD2-CB 3.97Å; F193-P229 HydrophobicContact CE2-CG 3.68Å; F193-P229 HydrophobicContact CZ-CG 4Å
194V92.4Very high90.8Very high11 Ų1149 Ų497%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-83.7116.7176.2-177.70000108.9P226 L227 D228 P229V194-P226 HydrophobicContact CG2-CB 3.87Å; V194-P226 HydrophobicContact CG2-CG 3.59Å; V194-L227 PolarHBondContact N-O 2.95Å; V194-D228 HydrophobicContact CB-CB 4.49Å; V194-P229 WeakPolarHBondContact O-CD 3.24Å
195C88.4Confident90Very high32 Ų3254.3 Ų54.322%0.21630%0.298CS..  trans-68.3124.2176.1179.90000110.4F193 H197 C198 S199 E200F193-C195 HydrophobicContact CE1-CB 4.48Å; C195-H197 PolarHBondContact O-N 3.26Å; C195-H197 VanDerWaalsContact O-N 3.16Å; C195-C198 VanDerWaalsContact CB-SG 3.52Å; C195-C198 PolarHBondContact SG-SG 3.13Å; C195-S199 VanDerWaalsContact O-CA 3.28Å; C195-S199 WeakPolarHBondContact O-CA 3.34Å; C195-S199 PolarHBondContact O-N 2.54Å; C195-E200 PolarHBondContact N-O 3.14Å
196P84.6Confident89.2Confident85 Ų8556.8 Ų56.855%0.55232%0.315SS*.THydrogen-bonded Turntrans-69.5-13-179.328.7-35.4000113.4P229P196-P229 HydrophobicContact CG-CG 4.42Å
197H83.7Confident88.8Confident177 Ų17763 Ų6382%0.81934%0.342SS*.THydrogen-bonded Turntrans-96.9-38.4-178.7-177.1-81.2000113.6C195C195-H197 PolarHBondContact O-N 3.26Å; C195-H197 VanDerWaalsContact O-N 3.16Å
198C85.4Confident88.3Confident70 Ų7063.8 Ų63.847%0.47335%0.351SS..THydrogen-bonded Turntrans-121.7-2.3-175.3660000114.7C195 E200C195-C198 VanDerWaalsContact CB-SG 3.52Å; C195-C198 PolarHBondContact SG-SG 3.13Å; C198-E200 PolarHBondContact O-N 3.42Å
199S84.6Confident88Confident91 Ų9164.3 Ų64.364%0.63636%0.356SS*.  trans60.96.3-179.1-47.20000115.3C195C195-S199 VanDerWaalsContact O-CA 3.28Å; C195-S199 WeakPolarHBondContact O-CA 3.34Å; C195-S199 PolarHBondContact O-N 2.54Å
200E87.8Confident87.9Confident138 Ų13864 Ų6465%0.64535%0.354SS*.  trans-67.8136.8172-169.5175.617900110.2C195 C198C195-E200 PolarHBondContact N-O 3.14Å; C198-E200 PolarHBondContact O-N 3.42Å
201C86.9Confident88.1Confident65 Ų6565.1 Ų65.144%0.43936%0.359SS..EExtended strand (participates in β ladder)trans-97.7115176.3-172.70000110.1F193F193-C201 CarbonylContact O-C 3.48Å; F193-C201 VanDerWaalsContact O-CA 3.28Å; F193-C201 WeakPolarHBondContact O-CA 3.47Å
202S88.2Confident88.2Confident49 Ų4970.7 Ų70.734%0.34339%0.385SS..EExtended strand (participates in β ladder)trans-111.3141.9179.4580000111.4G192 F193 I204G192-S202 CarbonylContact C-O 3.53Å; G192-S202 VanDerWaalsContact CA-O 3.32Å; G192-S202 WeakPolarHBondContact CA-O 3.43Å; F193-S202 PolarHBondContact N-O 3.38Å; F193-S202 PolarHBondContact O-N 3.39Å; S202-I204 PolarHBondContact O-N 2.94Å
203N87.8Confident88.3Confident92 Ų9270.7 Ų70.749%0.49238%0.384SS..  trans-86.692.7177.9-61.6-42.3000109.8F205 K207N203-F205 VanDerWaalsContact C-N 3.32Å; N203-K207 WeakPolarHBondContact OD1-CD 3.39Å
204I82.9Confident88.4Confident91 Ų9168.1 Ų68.147%0.46737%0.373SS..SBendtrans-78.9-17.4177.963.3170.3000113.3F193 S202 L227F193-I204 HydrophobicContact CB-CD1 3.9Å; F193-I204 HydrophobicContact CB-CG1 3.97Å; F193-I204 HydrophobicContact CB-CG2 3.95Å; F193-I204 HydrophobicContact CD2-CD1 4.36Å; F193-I204 HydrophobicContact CG-CD1 4.25Å; F193-I204 HydrophobicContact CG-CG2 4.43Å; S202-I204 PolarHBondContact O-N 2.94Å; I204-L227 HydrophobicContact CD1-CD1 3.76Å; I204-L227 HydrophobicContact CG1-CD1 4.31Å
205F79.8Confident88.5Confident117 Ų11774.6 Ų74.651%0.51340%0.401SS..SBendtrans-121.7-154171.4-61.2-61.7000109.9N203 L227N203-F205 VanDerWaalsContact C-N 3.32Å; F205-L227 HydrophobicContact CD2-CD1 4.1Å; F205-L227 HydrophobicContact CE2-CD1 3.78Å
206S82.1Confident88.7Confident52 Ų5278.1 Ų78.136%0.36442%0.417SS..  trans-74.7168.5166.751.90000111.6P161 Q162P161-S206 WeakPolarHBondContact CB-O 3.46Å; P161-S206 WeakPolarHBondContact CB-OG 3.44Å; P161-S206 VanDerWaalsContact CG-O 3.24Å; P161-S206 WeakPolarHBondContact CG-O 3.5Å; P161-S206 PolarHBondContact O-OG 3.3Å; Q162-S206 WeakPolarHBondContact CA-OG 3.24Å; Q162-S206 PolarHBondContact N-OG 2.99Å
207K88Confident89.1Confident130 Ų13075.9 Ų75.957%0.56540%0.402SS*.  trans-141.2148.4173.8173.9167.7-177.8175.90109.6N203N203-K207 WeakPolarHBondContact OD1-CD 3.39Å
208G88.9Confident89.5Confident17 Ų1771 Ų7118%0.17540%0.399CS..SBendtrans84.16.8168.800000115.3E188 G210 E211 E212E188-G208 PolarHBondContact OE1-N 2.95Å; E188-G208 VanDerWaalsContact OE2-C 3.28Å; E188-G208 WeakPolarHBondContact OE2-CA 3.31Å; E188-G208 PolarHBondContact OE2-N 3.49Å; E188-G208 VanDerWaalsContact OE2-N 3.09Å; G208-G210 VanDerWaalsContact C-N 3.34Å; G208-E211 PolarHBondContact O-N 2.76Å; G208-E212 WeakPolarHBondContact O-CB 3.39Å; G208-E212 PolarHBondContact O-N 2.87Å
209G91.2Very high89.9Confident12 Ų1268.7 Ų68.712%0.12438%0.384CS..Hα-helixtrans-65.1-37175.800000112.7T166 E188 L213T166-G209 VanDerWaalsContact CG2-C 3.49Å; T166-G209 WeakPolarHBondContact CG2-O 3.23Å; E188-G209 PolarHBondContact OE2-N 3.47Å; G209-L213 VanDerWaalsContact O-CB 3.29Å; G209-L213 WeakPolarHBondContact O-CB 3.34Å; G209-L213 PolarHBondContact O-N 3.04Å
210G94.1Very high90.5Very high0 Ų068 Ų680%038%0.375CS..Hα-helixtrans-69.8-39.2174.100000112.6E188 G208 L213 A214E188-G210 PolarHBondContact OE2-N 2.77Å; G208-G210 VanDerWaalsContact C-N 3.34Å; G210-L213 PolarHBondContact O-N 3.39Å; G210-A214 WeakPolarHBondContact O-CB 3.16Å; G210-A214 PolarHBondContact O-N 2.79Å
211E95.5Very high90.9Very high75 Ų7564.1 Ų64.135%0.3536%0.356SS..Hα-helixtrans-66.9-43.5177-169-170.2161.900111.5G208 L213 A214 K215 F221G208-E211 PolarHBondContact O-N 2.76Å; E211-L213 VanDerWaalsContact C-N 3.34Å; E211-A214 WeakPolarHBondContact O-CB 3.43Å; E211-A214 PolarHBondContact O-N 2.88Å; E211-K215 WeakPolarHBondContact O-CG 3.19Å; E211-K215 PolarHBondContact O-N 2.58Å; E211-K215 VanDerWaalsContact OE1-CE 3.31Å; E211-K215 WeakPolarHBondContact OE1-CE 3.08Å; E211-K215 IonicContact OE1-NZ 3.01Å; E211-K215 PolarHBondContact OE1-NZ 2.94Å; E211-F221 HydrophobicContact CB-CD1 3.99Å; E211-F221 HydrophobicContact CB-CD2 4.06Å; E211-F221 HydrophobicContact CB-CE1 3.87Å; E211-F221 HydrophobicContact CB-CE2 3.97Å; E211-F221 HydrophobicContact CB-CG 4.06Å; E211-F221 HydrophobicContact CB-CZ 3.86Å; E211-F221 HydrophobicContact CG-CB 4.49Å; E211-F221 HydrophobicContact CG-CD1 3.74Å; E211-F221 HydrophobicContact CG-CD2 4.47Å; E211-F221 HydrophobicContact CG-CE1 4Å; E211-F221 HydrophobicContact CG-CG 3.98Å; E211-F221 HydrophobicContact CG-CZ 4.49Å
212E94.9Very high91.4Very high122 Ų12261.4 Ų61.457%0.5734%0.338SS*.Hα-helixtrans-62.2-42.9174.1-171.3-177.8179.400111G208 A214 K215 L216G208-E212 WeakPolarHBondContact O-CB 3.39Å; G208-E212 PolarHBondContact O-N 2.87Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 3.45Å; E212-K215 PolarHBondContact O-N 3.14Å; E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.37Å; E212-L216 WeakPolarHBondContact O-CB 3.48Å; E212-L216 VanDerWaalsContact O-CG 3.26Å; E212-L216 WeakPolarHBondContact O-CG 3.39Å; E212-L216 PolarHBondContact O-N 2.76Å
213L93.7Very high91.9Very high3 Ų359.8 Ų59.82%0.01633%0.329CS..Hα-helixtrans-60.7-41.6175.9179.362.2000112.2V169 R170 I173 I186 G209 G210 E211 L216 T217V169-L213 HydrophobicContact CB-CD2 3.89Å; V169-L213 HydrophobicContact CG1-CD2 3.69Å; R170-L213 HydrophobicContact CG-CD1 3.48Å; R170-L213 VanDerWaalsContact CG-CD1 3.48Å; I173-L213 HydrophobicContact CD1-CD1 4.11Å; I173-L213 HydrophobicContact CD1-CD2 4.12Å; I173-L213 HydrophobicContact CD1-CG 4.03Å; I186-L213 HydrophobicContact CD1-CD2 4.22Å; I186-L213 HydrophobicContact CD1-CG 4.06Å; G209-L213 VanDerWaalsContact O-CB 3.29Å; G209-L213 WeakPolarHBondContact O-CB 3.34Å; G209-L213 PolarHBondContact O-N 3.04Å; G210-L213 PolarHBondContact O-N 3.39Å; E211-L213 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 3.3Å; L213-T217 HydrophobicContact CD1-CG2 3.87Å; L213-T217 WeakPolarHBondContact O-CB 3.47Å; L213-T217 WeakPolarHBondContact O-CG2 3.41Å; L213-T217 PolarHBondContact O-N 3.21Å; L213-T217 PolarHBondContact O-OG1 2.62Å
214A95.4Very high92.3Very high2 Ų257 Ų572%0.01732%0.317CS..Hα-helixtrans-58.8-49.7175.300000110.9I186 G210 E211 E212 L216 T217 G218 S219 F221I186-A214 HydrophobicContact CD1-CB 4.02Å; G210-A214 WeakPolarHBondContact O-CB 3.16Å; G210-A214 PolarHBondContact O-N 2.79Å; E211-A214 WeakPolarHBondContact O-CB 3.43Å; E211-A214 PolarHBondContact O-N 2.88Å; E212-A214 VanDerWaalsContact C-N 3.33Å; E212-A214 PolarHBondContact O-N 3.45Å; A214-L216 PolarHBondContact O-N 3.44Å; A214-T217 PolarHBondContact O-N 2.89Å; A214-T217 PolarHBondContact O-OG1 3.34Å; A214-G218 PolarHBondContact O-N 3.02Å; A214-S219 CarbonylContact C-O 3.6Å; A214-S219 PolarHBondContact O-N 2.78Å; A214-F221 HydrophobicContact CB-CB 3.73Å; A214-F221 HydrophobicContact CB-CD2 4.28Å; A214-F221 HydrophobicContact CB-CG 4.44Å
215K95.6Very high93Very high146 Ų14652.8 Ų52.864%0.63530%0.295SS*.Hα-helixtrans-58.2-47.9176.3-69.9170.6-174.4165.30112.2E211 E212 T217 G218E211-K215 WeakPolarHBondContact O-CG 3.19Å; E211-K215 PolarHBondContact O-N 2.58Å; E211-K215 VanDerWaalsContact OE1-CE 3.31Å; E211-K215 WeakPolarHBondContact OE1-CE 3.08Å; E211-K215 IonicContact OE1-NZ 3.01Å; E211-K215 PolarHBondContact OE1-NZ 2.94Å; E212-K215 PolarHBondContact O-N 3.14Å; K215-T217 PolarHBondContact O-N 3.07Å; K215-G218 PolarHBondContact O-N 3.11Å
216L92.6Very high93.7Very high107 Ų10747.8 Ų47.856%0.5627%0.274SS*.Hα-helixtrans-62.5-30.4-179.1-74.1171.8000113.3E212 L213 A214E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.37Å; E212-L216 WeakPolarHBondContact O-CB 3.48Å; E212-L216 VanDerWaalsContact O-CG 3.26Å; E212-L216 WeakPolarHBondContact O-CG 3.39Å; E212-L216 PolarHBondContact O-N 2.76Å; L213-L216 PolarHBondContact O-N 3.3Å; A214-L216 PolarHBondContact O-N 3.44Å
217T91.6Very high94.3Very high38 Ų3847.3 Ų47.323%0.23327%0.267CS..Hα-helixtrans-102.6-3.7-174.359.10000113.7I173 L213 A214 K215 S219I173-T217 HydrophobicContact CD1-CG2 3.71Å; I173-T217 HydrophobicContact CG2-CG2 4.36Å; L213-T217 HydrophobicContact CD1-CG2 3.87Å; L213-T217 WeakPolarHBondContact O-CB 3.47Å; L213-T217 WeakPolarHBondContact O-CG2 3.41Å; L213-T217 PolarHBondContact O-N 3.21Å; L213-T217 PolarHBondContact O-OG1 2.62Å; A214-T217 PolarHBondContact O-N 2.89Å; A214-T217 PolarHBondContact O-OG1 3.34Å; K215-T217 PolarHBondContact O-N 3.07Å; T217-S219 PolarHBondContact O-N 3.4Å; T217-S219 PolarHBondContact OG1-OG 2.97Å
218G93.3Very high94.6Very high73 Ų7341.3 Ų41.375%0.75324%0.241SC*.THydrogen-bonded Turntrans67.921.4-172.600000113.2A214 K215A214-G218 PolarHBondContact O-N 3.02Å; K215-G218 PolarHBondContact O-N 3.11Å
219S93.9Very high94.8Very high23 Ų2342.8 Ų42.816%0.16125%0.248CC..  trans-88.2157.9178.2-51.60000110.6A214 T217A214-S219 CarbonylContact C-O 3.6Å; A214-S219 PolarHBondContact O-N 2.78Å; T217-S219 PolarHBondContact O-N 3.4Å; T217-S219 PolarHBondContact OG1-OG 2.97Å
220V95.7Very high95Very high76 Ų7645.2 Ų45.246%0.46126%0.258SS..  trans-72.9135.3172.1178.10000109.6G185 I186 L222G185-V220 CarbonylContact C-O 3.43Å; G185-V220 WeakPolarHBondContact CA-O 3.39Å; I186-V220 PolarHBondContact N-O 3.37Å; V220-L222 HydrophobicContact CG1-CD2 4.16Å
221F97.6Very high95Very high56 Ų5645.7 Ų45.725%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-94.3115.7166.7-173.6-116.1000108.8I186 E188 E211 A214 G223 S224I186-F221 HydrophobicContact CB-CD2 4.47Å; E188-F221 HydrophobicContact CB-CE2 3.89Å; E188-F221 HydrophobicContact CB-CZ 4.03Å; E211-F221 HydrophobicContact CB-CD1 3.99Å; E211-F221 HydrophobicContact CB-CD2 4.06Å; E211-F221 HydrophobicContact CB-CE1 3.87Å; E211-F221 HydrophobicContact CB-CE2 3.97Å; E211-F221 HydrophobicContact CB-CG 4.06Å; E211-F221 HydrophobicContact CB-CZ 3.86Å; E211-F221 HydrophobicContact CG-CB 4.49Å; E211-F221 HydrophobicContact CG-CD1 3.74Å; E211-F221 HydrophobicContact CG-CD2 4.47Å; E211-F221 HydrophobicContact CG-CE1 4Å; E211-F221 HydrophobicContact CG-CG 3.98Å; E211-F221 HydrophobicContact CG-CZ 4.49Å; A214-F221 HydrophobicContact CB-CB 3.73Å; A214-F221 HydrophobicContact CB-CD2 4.28Å; A214-F221 HydrophobicContact CB-CG 4.44Å; F221-G223 VanDerWaalsContact CZ-C 3.45Å; F221-G223 WeakPolarHBondContact CZ-O 3.24Å; F221-S224 WeakPolarHBondContact CZ-OG 3.26Å
222L97.7Very high94.9Very high9 Ų945 Ų455%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-81.9-30.9-177-64.7167.5000111.7V156 I186 V187 V220 I257 T260V156-L222 HydrophobicContact CG1-CD1 4.05Å; V156-L222 HydrophobicContact CG2-CD1 4.12Å; I186-L222 PolarHBondContact O-N 2.97Å; V187-L222 HydrophobicContact CG2-CB 4.04Å; V187-L222 HydrophobicContact CG2-CD1 3.93Å; V220-L222 HydrophobicContact CG1-CD2 4.16Å; L222-I257 HydrophobicContact CB-CG1 4.43Å; L222-I257 HydrophobicContact CB-CG2 3.99Å; L222-I257 WeakPolarHBondContact O-CG1 3.26Å; L222-T260 HydrophobicContact CD2-CG2 3.79Å
223G97.4Very high94.9Very high15 Ų1541 Ų4116%0.15525%0.252CS..EExtended strand (participates in β ladder)trans148.3-177.7177.400000113.7E188 F221E188-G223 PolarHBondContact N-O 3.48Å; F221-G223 VanDerWaalsContact CZ-C 3.45Å; F221-G223 WeakPolarHBondContact CZ-O 3.24Å
224S96.9Very high95Very high34 Ų3441.1 Ų41.124%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-117137.2179-66.10000110.5E188 F221 A253E188-S224 CarbonylContact O-C 3.56Å; E188-S224 WeakPolarHBondContact O-CA 3.29Å; E188-S224 PolarHBondContact OE1-OG 3.21Å; F221-S224 WeakPolarHBondContact CZ-OG 3.26Å; S224-A253 WeakPolarHBondContact O-CB 3.39Å
225V96.6Very high94.9Very high1 Ų142 Ų421%0.00626%0.256CS..  trans-110.2124.4171.4-177.50000108.3I30 V187 E188 N189 M190 S191 L231 T250 I254 I257I30-V225 HydrophobicContact CD1-CB 4.19Å; I30-V225 HydrophobicContact CD1-CG1 4.46Å; I30-V225 HydrophobicContact CD1-CG2 3.83Å; V187-V225 HydrophobicContact CG1-CG2 4.33Å; E188-V225 PolarHBondContact O-N 3.05Å; N189-V225 CarbonylContact C-O 3.49Å; M190-V225 PolarHBondContact N-O 3.3Å; S191-V225 PolarHBondContact N-O 3.44Å; V225-L231 HydrophobicContact CG1-CD2 4.46Å; V225-T250 HydrophobicContact CG1-CG2 4.12Å; V225-I254 HydrophobicContact CG1-CD1 4.46Å; V225-I254 HydrophobicContact CG1-CG1 4.31Å; V225-I254 HydrophobicContact CG2-CG1 4.1Å; V225-I257 HydrophobicContact CG2-CD1 3.57Å
226P95.1Very high94.6Very high12 Ų1241.8 Ų41.88%0.07826%0.258CS..  trans-77.2165.1179.334.2-36.6000111.7S191 V194 D228 T250S191-P226 WeakPolarHBondContact O-CA 3.04Å; V194-P226 HydrophobicContact CG2-CB 3.87Å; V194-P226 HydrophobicContact CG2-CG 3.59Å; P226-D228 PolarHBondContact O-N 3.47Å; P226-T250 HydrophobicContact CG-CG2 4.46Å; P226-T250 WeakPolarHBondContact CG-OG1 3.16Å
227L94.2Very high94.5Very high42 Ų4241.9 Ų41.922%0.2226%0.256CS..BIsolated β-bridgetrans-69118.4161.9-71.4164.6000108.8M190 G192 F193 V194 I204 F205M190-L227 HydrophobicContact CB-CD1 4.27Å; M190-L227 HydrophobicContact CB-CD2 3.82Å; M190-L227 HydrophobicContact CB-CG 3.83Å; M190-L227 HydrophobicContact CG-CD2 3.63Å; M190-L227 HydrophobicContact CG-CG 4.22Å; M190-L227 HydrophobicContact SD-CD2 4.16Å; G192-L227 WeakPolarHBondContact O-CB 3.3Å; G192-L227 PolarHBondContact O-N 3.42Å; F193-L227 CarbonylContact C-O 3.36Å; F193-L227 VanDerWaalsContact CA-O 3.31Å; F193-L227 WeakPolarHBondContact CA-O 3.39Å; F193-L227 HydrophobicContact CB-CB 4.39Å; F193-L227 HydrophobicContact CD2-CB 3.97Å; V194-L227 PolarHBondContact N-O 2.95Å; I204-L227 HydrophobicContact CD1-CD1 3.76Å; I204-L227 HydrophobicContact CG1-CD1 4.31Å; F205-L227 HydrophobicContact CD2-CD1 4.1Å; F205-L227 HydrophobicContact CE2-CD1 3.78Å
228D95.1Very high94.5Very high4 Ų441.1 Ų41.12%0.02126%0.255CS..  trans-128.6113.2179.6-171.5-21.9000109.4V194 P226 L230 L231 S232 T250V194-D228 HydrophobicContact CB-CB 4.49Å; P226-D228 PolarHBondContact O-N 3.47Å; D228-L230 PolarHBondContact O-N 3.13Å; D228-L230 VanDerWaalsContact OD1-CB 3.3Å; D228-L230 WeakPolarHBondContact OD1-CB 3.23Å; D228-L230 PolarHBondContact OD1-N 3.23Å; D228-L231 HydrophobicContact CB-CB 3.92Å; D228-L231 WeakPolarHBondContact O-CB 3.36Å; D228-L231 PolarHBondContact O-N 3.34Å; D228-S232 PolarHBondContact O-N 2.75Å; D228-S232 PolarHBondContact O-OG 2.83Å; D228-T250 HydrophobicContact CB-CG2 4.05Å; D228-T250 WeakPolarHBondContact CB-OG1 3.4Å; D228-T250 VanDerWaalsContact OD2-CB 3.28Å; D228-T250 WeakPolarHBondContact OD2-CB 3.46Å; D228-T250 PolarHBondContact OD2-OG1 2.99Å
229P93.8Very high94.5Very high49 Ų4942.9 Ų42.932%0.31824%0.242SC..Hα-helixtrans-55.8-31.2176.9-26.535.7000113.6F193 V194 P196 S232 A233F193-P229 HydrophobicContact CE2-CG 3.68Å; F193-P229 HydrophobicContact CZ-CG 4Å; V194-P229 WeakPolarHBondContact O-CD 3.24Å; P196-P229 HydrophobicContact CG-CG 4.42Å; P229-S232 PolarHBondContact O-N 3.21Å; P229-A233 WeakPolarHBondContact O-CB 3.39Å; P229-A233 PolarHBondContact O-N 3Å
230L94.3Very high94.5Very high63 Ų6342.6 Ų42.633%0.3324%0.238SC..Hα-helixtrans-71.5-35.5178.8-59.9174.7000111.3D228 S234 F241 F245D228-L230 PolarHBondContact O-N 3.13Å; D228-L230 VanDerWaalsContact OD1-CB 3.3Å; D228-L230 WeakPolarHBondContact OD1-CB 3.23Å; D228-L230 PolarHBondContact OD1-N 3.23Å; L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 2.76Å; L230-S234 PolarHBondContact O-OG 3.1Å; L230-F241 HydrophobicContact CB-CE2 3.96Å; L230-F245 HydrophobicContact CB-CD2 4.23Å; L230-F245 HydrophobicContact CB-CE1 4.35Å; L230-F245 HydrophobicContact CB-CE2 3.98Å; L230-F245 HydrophobicContact CB-CZ 4.04Å; L230-F245 HydrophobicContact CD1-CD1 3.89Å; L230-F245 HydrophobicContact CD1-CE1 3.81Å; L230-F245 HydrophobicContact CD1-CG 4.45Å; L230-F245 HydrophobicContact CD1-CZ 4.31Å; L230-F245 HydrophobicContact CD2-CE1 4.03Å; L230-F245 HydrophobicContact CD2-CZ 3.9Å; L230-F245 HydrophobicContact CG-CE1 4.29Å; L230-F245 HydrophobicContact CG-CZ 4.3Å
231L95.2Very high94.4Very high10 Ų1039 Ų395%0.05222%0.216CC..Hα-helixtrans-65.9-48172.417761.5000110.5E33 V225 D228 A233 S234 I235 F241 T250 I254E33-L231 HydrophobicContact CG-CD1 4Å; V225-L231 HydrophobicContact CG1-CD2 4.46Å; D228-L231 HydrophobicContact CB-CB 3.92Å; D228-L231 WeakPolarHBondContact O-CB 3.36Å; D228-L231 PolarHBondContact O-N 3.34Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.93Å; L231-S234 PolarHBondContact O-N 2.83Å; L231-I235 HydrophobicContact CD1-CD1 3.79Å; L231-I235 HydrophobicContact CD1-CG1 4.15Å; L231-I235 HydrophobicContact CG-CD1 3.83Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.48Å; L231-I235 PolarHBondContact O-N 3.2Å; L231-F241 VanDerWaalsContact CA-CD2 3.47Å; L231-F241 HydrophobicContact CB-CD2 3.95Å; L231-F241 HydrophobicContact CB-CE2 3.86Å; L231-F241 HydrophobicContact CB-CG 4.4Å; L231-F241 HydrophobicContact CB-CZ 4.21Å; L231-F241 HydrophobicContact CD1-CB 3.76Å; L231-F241 HydrophobicContact CD1-CD1 3.87Å; L231-F241 HydrophobicContact CD1-CD2 3.93Å; L231-F241 HydrophobicContact CD1-CE1 4.47Å; L231-F241 HydrophobicContact CD1-CG 3.56Å; L231-T250 HydrophobicContact CB-CG2 4.42Å; L231-T250 HydrophobicContact CD2-CG2 3.88Å; L231-I254 HydrophobicContact CD2-CD1 4.4Å
232S93.5Very high94.1Very high61 Ų6136.7 Ų36.743%0.42721%0.208SC..Hα-helixtrans-57.2-47.3177.1-61.20000112D228 P229 S234 I235 E236D228-S232 PolarHBondContact O-N 2.75Å; D228-S232 PolarHBondContact O-OG 2.83Å; P229-S232 PolarHBondContact O-N 3.21Å; S232-S234 PolarHBondContact O-N 2.81Å; S232-I235 PolarHBondContact O-N 3.12Å; S232-E236 WeakPolarHBondContact O-CG 3.39Å; S232-E236 PolarHBondContact O-N 2.97Å
233A94.2Very high93.9Very high38 Ų3842.7 Ų42.731%0.31424%0.236SC..Hα-helixtrans-62.9-41.3177.200000112.4P229 L231 I235 E236 E237P229-A233 WeakPolarHBondContact O-CB 3.39Å; P229-A233 PolarHBondContact O-N 3Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.93Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.09Å; A233-E236 PolarHBondContact O-N 3.26Å; A233-E237 WeakPolarHBondContact O-CG 3.32Å; A233-E237 PolarHBondContact O-N 2.84Å
234S94.9Very high93.7Very high4 Ų444.7 Ų44.73%0.02825%0.247CC..Hα-helixtrans-61.2-43.7177.7-59.80000111.3L230 L231 S232 E237 G238 K239 F245L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 2.76Å; L230-S234 PolarHBondContact O-OG 3.1Å; L231-S234 PolarHBondContact O-N 2.83Å; S232-S234 PolarHBondContact O-N 2.81Å; S234-E237 CarbonylContact O-C 3.57Å; S234-E237 PolarHBondContact O-N 3.31Å; S234-G238 CarbonylContact O-C 3.6Å; S234-G238 WeakPolarHBondContact O-CA 3.48Å; S234-G238 PolarHBondContact O-N 2.76Å; S234-K239 PolarHBondContact O-N 3.4Å; S234-F245 WeakPolarHBondContact OG-CE2 3.38Å
235I93.1Very high93.6Very high20 Ų2046.2 Ų46.210%0.10325%0.25CS..Hα-helixtrans-65.4-41.4177.7-68.7167.7000111.6T29 M60 L231 S232 A233 E237 G238T29-I235 HydrophobicContact CG2-CD1 3.4Å; M60-I235 HydrophobicContact CB-CG2 3.89Å; M60-I235 HydrophobicContact CE-CG2 4.25Å; M60-I235 HydrophobicContact CG-CG2 3.48Å; M60-I235 VanDerWaalsContact CG-CG2 3.48Å; M60-I235 HydrophobicContact SD-CG2 4.04Å; L231-I235 HydrophobicContact CD1-CD1 3.79Å; L231-I235 HydrophobicContact CD1-CG1 4.15Å; L231-I235 HydrophobicContact CG-CD1 3.83Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.48Å; L231-I235 PolarHBondContact O-N 3.2Å; S232-I235 PolarHBondContact O-N 3.12Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.09Å; I235-E237 VanDerWaalsContact C-N 3.27Å; I235-E237 PolarHBondContact O-N 2.59Å; I235-G238 PolarHBondContact O-N 2.96Å; I235-G238 VanDerWaalsContact O-N 3.13Å
236E90.2Very high93.4Very high143 Ų14349.3 Ų49.367%0.66827%0.27SS*.Hα-helixtrans-64.4-33.5178.5-76.4-178.7176.700112.8S232 A233 G238S232-E236 WeakPolarHBondContact O-CG 3.39Å; S232-E236 PolarHBondContact O-N 2.97Å; A233-E236 PolarHBondContact O-N 3.26Å; E236-G238 VanDerWaalsContact C-N 3.34Å
237E91.4Very high93.2Very high109 Ų10956.6 Ų56.651%0.50931%0.308SS..THydrogen-bonded Turntrans-88.2-4.2176.2-63.7177.4-174.600112.8S62 A233 S234 I235 K239S62-E237 PolarHBondContact OG-O 3.01Å; S62-E237 VanDerWaalsContact OG-O 3.08Å; A233-E237 WeakPolarHBondContact O-CG 3.32Å; A233-E237 PolarHBondContact O-N 2.84Å; S234-E237 CarbonylContact O-C 3.57Å; S234-E237 PolarHBondContact O-N 3.31Å; I235-E237 VanDerWaalsContact C-N 3.27Å; I235-E237 PolarHBondContact O-N 2.59Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 HydrophobicContact CB-CD 4.13Å; E237-K239 HydrophobicContact CB-CG 4.02Å; E237-K239 PolarHBondContact O-N 3.41Å; E237-K239 VanDerWaalsContact OE2-CD 3.3Å; E237-K239 WeakPolarHBondContact OE2-CD 3.47Å; E237-K239 WeakPolarHBondContact OE2-CE 3.33Å; E237-K239 IonicContact OE2-NZ 3.05Å; E237-K239 PolarHBondContact OE2-NZ 3.43Å
238G90.8Very high93.1Very high21 Ų2155.6 Ų55.622%0.21631%0.305CS..THydrogen-bonded Turntrans52.440.2-170.300000114.4M60 S62 S234 I235 E236M60-G238 VanDerWaalsContact O-CA 3.23Å; M60-G238 WeakPolarHBondContact O-CA 3.49Å; S62-G238 VanDerWaalsContact OG-CA 3.24Å; S62-G238 WeakPolarHBondContact OG-CA 3.47Å; S62-G238 PolarHBondContact OG-N 3.07Å; S234-G238 CarbonylContact O-C 3.6Å; S234-G238 WeakPolarHBondContact O-CA 3.48Å; S234-G238 PolarHBondContact O-N 2.76Å; I235-G238 PolarHBondContact O-N 2.96Å; I235-G238 VanDerWaalsContact O-N 3.13Å; E236-G238 VanDerWaalsContact C-N 3.34Å
239K92.3Very high93Very high110 Ų11058.4 Ų58.448%0.47833%0.325SS..  trans-91.5146.7173-69.9179.4178.4167.50110.7S234 E237 F241S234-K239 PolarHBondContact O-N 3.4Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 HydrophobicContact CB-CD 4.13Å; E237-K239 HydrophobicContact CB-CG 4.02Å; E237-K239 PolarHBondContact O-N 3.41Å; E237-K239 VanDerWaalsContact OE2-CD 3.3Å; E237-K239 WeakPolarHBondContact OE2-CD 3.47Å; E237-K239 WeakPolarHBondContact OE2-CE 3.33Å; E237-K239 IonicContact OE2-NZ 3.05Å; E237-K239 PolarHBondContact OE2-NZ 3.43Å; K239-F241 PolarHBondContact O-N 3.3Å; K239-F241 VanDerWaalsContact O-N 3.14Å
240D94Very high93.1Very high17 Ų1756 Ų569%0.09131%0.31CS..  trans-69.9107.9172.2-170.8-38.6000110R39 H40 A242 Q243 S244R39-D240 IonicContact CZ-OD2 3.03Å; R39-D240 IonicContact NH2-OD2 2.82Å; R39-D240 PolarHBondContact NH2-OD2 3.05Å; H40-D240 IonicContact CD2-OD2 2.73Å; H40-D240 IonicContact CE1-OD1 3.87Å; H40-D240 IonicContact CE1-OD2 3.16Å; H40-D240 PolarHBondContact CE1-OD2 3.16Å; H40-D240 VanDerWaalsContact NE2-CG 3.25Å; H40-D240 IonicContact NE2-OD1 2.7Å; H40-D240 PolarHBondContact NE2-OD1 2.85Å; H40-D240 IonicContact NE2-OD2 3.87Å; H40-D240 PolarHBondContact NE2-OD2 3.44Å; D240-A242 VanDerWaalsContact C-N 3.33Å; D240-A242 PolarHBondContact O-N 2.89Å; D240-A242 WeakPolarHBondContact OD1-CB 3.07Å; D240-A242 PolarHBondContact OD1-N 3.49Å; D240-A242 VanDerWaalsContact OD1-N 3.08Å; D240-Q243 HydrophobicContact CB-CB 4.09Å; D240-Q243 HydrophobicContact CB-CG 4.07Å; D240-Q243 PolarHBondContact O-N 3.1Å; D240-Q243 PolarHBondContact OD1-N 2.92Å; D240-Q243 VanDerWaalsContact OD1-N 3.11Å; D240-S244 WeakPolarHBondContact O-CB 3.22Å; D240-S244 PolarHBondContact O-N 2.69Å; D240-S244 VanDerWaalsContact O-N 3.08Å; D240-S244 PolarHBondContact O-OG 3.46Å
241F94.6Very high93.1Very high0 Ų055.5 Ų55.50%031%0.305CS..Hα-helixtrans-61.7-41.1-178.7176.7-103.4000111.9L230 L231 K239 Q243 S244 F245 S248 T250 F251L230-F241 HydrophobicContact CB-CE2 3.96Å; L231-F241 VanDerWaalsContact CA-CD2 3.47Å; L231-F241 HydrophobicContact CB-CD2 3.95Å; L231-F241 HydrophobicContact CB-CE2 3.86Å; L231-F241 HydrophobicContact CB-CG 4.4Å; L231-F241 HydrophobicContact CB-CZ 4.21Å; L231-F241 HydrophobicContact CD1-CB 3.76Å; L231-F241 HydrophobicContact CD1-CD1 3.87Å; L231-F241 HydrophobicContact CD1-CD2 3.93Å; L231-F241 HydrophobicContact CD1-CE1 4.47Å; L231-F241 HydrophobicContact CD1-CG 3.56Å; K239-F241 PolarHBondContact O-N 3.3Å; K239-F241 VanDerWaalsContact O-N 3.14Å; F241-Q243 VanDerWaalsContact C-N 3.33Å; F241-Q243 PolarHBondContact O-N 2.93Å; F241-S244 PolarHBondContact O-N 2.87Å; F241-F245 HydrophobicContact CD2-CB 4.38Å; F241-F245 AromaticContact CD2-CD2 3.52Å; F241-F245 HydrophobicContact CD2-CD2 3.52Å; F241-F245 HydrophobicContact CD2-CE2 4.26Å; F241-F245 HydrophobicContact CD2-CG 4.34Å; F241-F245 HydrophobicContact CE2-CB 3.92Å; F241-F245 AromaticContact CE2-CD2 3.53Å; F241-F245 HydrophobicContact CE2-CD2 3.53Å; F241-F245 HydrophobicContact CE2-CE2 4.37Å; F241-F245 AromaticContact CE2-CG 3.98Å; F241-F245 HydrophobicContact CE2-CG 3.98Å; F241-F245 HydrophobicContact CG-CD2 4.47Å; F241-F245 HydrophobicContact CZ-CB 4.08Å; F241-F245 HydrophobicContact CZ-CD2 4.49Å; F241-F245 PolarHBondContact O-N 3.01Å; F241-S248 WeakPolarHBondContact CE1-OG 3.31Å; F241-S248 VanDerWaalsContact CZ-OG 3.23Å; F241-S248 WeakPolarHBondContact CZ-OG 3.38Å; F241-T250 HydrophobicContact CE1-CG2 3.85Å; F241-T250 HydrophobicContact CZ-CG2 4.03Å; F241-F251 HydrophobicContact CD1-CB 4.49Å; F241-F251 HydrophobicContact CE1-CB 3.97Å
242A91.8Very high93Very high9 Ų958.4 Ų58.47%0.07433%0.326CS..Hα-helixtrans-63.2-38179.800000112.3D240 F251D240-A242 VanDerWaalsContact C-N 3.33Å; D240-A242 PolarHBondContact O-N 2.89Å; D240-A242 WeakPolarHBondContact OD1-CB 3.07Å; D240-A242 PolarHBondContact OD1-N 3.49Å; D240-A242 VanDerWaalsContact OD1-N 3.08Å; A242-F251 HydrophobicContact CB-CD2 3.44Å; A242-F251 VanDerWaalsContact CB-CD2 3.44Å; A242-F251 HydrophobicContact CB-CE2 3.43Å; A242-F251 VanDerWaalsContact CB-CE2 3.43Å
243Q92.9Very high93.2Very high135 Ų13556.5 Ų56.563%0.63131%0.314SS*.Hα-helixtrans-71.2-36.6174.5-69.7-175.2-1400112.7D240 F241D240-Q243 HydrophobicContact CB-CB 4.09Å; D240-Q243 HydrophobicContact CB-CG 4.07Å; D240-Q243 PolarHBondContact O-N 3.1Å; D240-Q243 PolarHBondContact OD1-N 2.92Å; D240-Q243 VanDerWaalsContact OD1-N 3.11Å; F241-Q243 VanDerWaalsContact C-N 3.33Å; F241-Q243 PolarHBondContact O-N 2.93Å
244S93.6Very high93.3Very high56 Ų5655 Ų5539%0.39230%0.3SS..Hα-helixtrans-78.4-33-175.3-55.80000112.4D240 F241D240-S244 WeakPolarHBondContact O-CB 3.22Å; D240-S244 PolarHBondContact O-N 2.69Å; D240-S244 VanDerWaalsContact O-N 3.08Å; D240-S244 PolarHBondContact O-OG 3.46Å; F241-S244 PolarHBondContact O-N 2.87Å
245F93.5Very high93.4Very high67 Ų6756.5 Ų56.529%0.29431%0.311SS..  trans-137.159.7-173.1-55.2-76.7000112.9L230 S234 F241 D247 S248L230-F245 HydrophobicContact CB-CD2 4.23Å; L230-F245 HydrophobicContact CB-CE1 4.35Å; L230-F245 HydrophobicContact CB-CE2 3.98Å; L230-F245 HydrophobicContact CB-CZ 4.04Å; L230-F245 HydrophobicContact CD1-CD1 3.89Å; L230-F245 HydrophobicContact CD1-CE1 3.81Å; L230-F245 HydrophobicContact CD1-CG 4.45Å; L230-F245 HydrophobicContact CD1-CZ 4.31Å; L230-F245 HydrophobicContact CD2-CE1 4.03Å; L230-F245 HydrophobicContact CD2-CZ 3.9Å; L230-F245 HydrophobicContact CG-CE1 4.29Å; L230-F245 HydrophobicContact CG-CZ 4.3Å; S234-F245 WeakPolarHBondContact OG-CE2 3.38Å; F241-F245 HydrophobicContact CD2-CB 4.38Å; F241-F245 AromaticContact CD2-CD2 3.52Å; F241-F245 HydrophobicContact CD2-CD2 3.52Å; F241-F245 HydrophobicContact CD2-CE2 4.26Å; F241-F245 HydrophobicContact CD2-CG 4.34Å; F241-F245 HydrophobicContact CE2-CB 3.92Å; F241-F245 AromaticContact CE2-CD2 3.53Å; F241-F245 HydrophobicContact CE2-CD2 3.53Å; F241-F245 HydrophobicContact CE2-CE2 4.37Å; F241-F245 AromaticContact CE2-CG 3.98Å; F241-F245 HydrophobicContact CE2-CG 3.98Å; F241-F245 HydrophobicContact CG-CD2 4.47Å; F241-F245 HydrophobicContact CZ-CB 4.08Å; F241-F245 HydrophobicContact CZ-CD2 4.49Å; F241-F245 PolarHBondContact O-N 3.01Å; F245-D247 PolarHBondContact O-N 3.48Å; F245-S248 WeakPolarHBondContact O-CB 3.21Å; F245-S248 PolarHBondContact O-N 3.22Å; F245-S248 VanDerWaalsContact O-N 3.1Å; F245-S248 PolarHBondContact O-OG 3.38Å
246P93.4Very high93.6Very high66 Ų6659.3 Ų59.343%0.42933%0.329SS..THydrogen-bonded Turntrans-66.8-19-175.528.6-37000114.1F251P246-F251 WeakPolarHBondContact O-CD1 3.1Å; P246-F251 WeakPolarHBondContact O-CE1 3.46Å
247D91Very high94Very high164 Ų16452.7 Ų52.788%0.87730%0.298SS*.THydrogen-bonded Turntrans-96.63.3178.3-59.8-46.2000112.7F245F245-D247 PolarHBondContact O-N 3.48Å
248S92.6Very high94.2Very high21 Ų2147.8 Ų47.815%0.14728%0.276CS..  trans-73.2145.3-179.569.20000112.2F241 F245 T250 F251 S252F241-S248 WeakPolarHBondContact CE1-OG 3.31Å; F241-S248 VanDerWaalsContact CZ-OG 3.23Å; F241-S248 WeakPolarHBondContact CZ-OG 3.38Å; F245-S248 WeakPolarHBondContact O-CB 3.21Å; F245-S248 PolarHBondContact O-N 3.22Å; F245-S248 VanDerWaalsContact O-N 3.1Å; F245-S248 PolarHBondContact O-OG 3.38Å; S248-T250 PolarHBondContact O-N 3.01Å; S248-F251 PolarHBondContact O-N 3.47Å; S248-F251 WeakPolarHBondContact OG-CB 2.8Å; S248-F251 PolarHBondContact OG-N 3.32Å; S248-S252 PolarHBondContact O-N 3.04Å; S248-S252 VanDerWaalsContact O-N 3.1Å
249S92.6Very high94.5Very high63 Ų6351.2 Ų51.244%0.44129%0.286SS..Hα-helixtrans-62.4-33.4173.9550000112S252 A253S249-S252 PolarHBondContact O-N 3.48Å; S249-A253 PolarHBondContact O-N 3.1Å
250T94.7Very high94.7Very high0 Ų048.5 Ų48.50%028%0.279CS..Hα-helixtrans-63.5-44.5174.8-52.30000111.7V225 P226 D228 L231 F241 S248 S252 A253 I254V225-T250 HydrophobicContact CG1-CG2 4.12Å; P226-T250 HydrophobicContact CG-CG2 4.46Å; P226-T250 WeakPolarHBondContact CG-OG1 3.16Å; D228-T250 HydrophobicContact CB-CG2 4.05Å; D228-T250 WeakPolarHBondContact CB-OG1 3.4Å; D228-T250 VanDerWaalsContact OD2-CB 3.28Å; D228-T250 WeakPolarHBondContact OD2-CB 3.46Å; D228-T250 PolarHBondContact OD2-OG1 2.99Å; L231-T250 HydrophobicContact CB-CG2 4.42Å; L231-T250 HydrophobicContact CD2-CG2 3.88Å; F241-T250 HydrophobicContact CE1-CG2 3.85Å; F241-T250 HydrophobicContact CZ-CG2 4.03Å; S248-T250 PolarHBondContact O-N 3.01Å; T250-S252 VanDerWaalsContact C-N 3.35Å; T250-S252 PolarHBondContact O-N 2.93Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.17Å; T250-I254 HydrophobicContact CG2-CD1 4.01Å; T250-I254 WeakPolarHBondContact O-CG1 3.45Å; T250-I254 PolarHBondContact O-N 3.49Å
251F94.8Very high94.8Very high52 Ų5247.7 Ų47.723%0.22828%0.275CS..Hα-helixtrans-62.4-43.7175.2165.9-104.9000111.2F241 A242 P246 S248 A253 I254 S255F241-F251 HydrophobicContact CD1-CB 4.49Å; F241-F251 HydrophobicContact CE1-CB 3.97Å; A242-F251 HydrophobicContact CB-CD2 3.44Å; A242-F251 VanDerWaalsContact CB-CD2 3.44Å; A242-F251 HydrophobicContact CB-CE2 3.43Å; A242-F251 VanDerWaalsContact CB-CE2 3.43Å; P246-F251 WeakPolarHBondContact O-CD1 3.1Å; P246-F251 WeakPolarHBondContact O-CE1 3.46Å; S248-F251 PolarHBondContact O-N 3.47Å; S248-F251 WeakPolarHBondContact OG-CB 2.8Å; S248-F251 PolarHBondContact OG-N 3.32Å; F251-A253 VanDerWaalsContact C-N 3.27Å; F251-A253 PolarHBondContact O-N 3.38Å; F251-I254 PolarHBondContact O-N 3.08Å; F251-S255 WeakPolarHBondContact CE2-OG 3.26Å; F251-S255 VanDerWaalsContact CZ-OG 3.26Å; F251-S255 WeakPolarHBondContact CZ-OG 3.48Å; F251-S255 VanDerWaalsContact O-CB 3.29Å; F251-S255 WeakPolarHBondContact O-CB 3.16Å; F251-S255 PolarHBondContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.07Å
252S94.5Very high94.8Very high70 Ų7048.3 Ų48.349%0.4928%0.278SS..Hα-helixtrans-59.5-39.4176-175.60000111.9S248 S249 T250 T256S248-S252 PolarHBondContact O-N 3.04Å; S248-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 PolarHBondContact O-N 3.48Å; T250-S252 VanDerWaalsContact C-N 3.35Å; T250-S252 PolarHBondContact O-N 2.93Å; S252-T256 WeakPolarHBondContact O-CB 3.46Å; S252-T256 PolarHBondContact O-N 3.19Å; S252-T256 PolarHBondContact O-OG1 2.67Å
253A96.3Very high94.9Very high22 Ų2251.5 Ų51.518%0.18229%0.294CS..Hα-helixtrans-66-50.1177.500000111.7S224 S249 T250 F251 S255 T256 I257S224-A253 WeakPolarHBondContact O-CB 3.39Å; S249-A253 PolarHBondContact O-N 3.1Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.17Å; F251-A253 VanDerWaalsContact C-N 3.27Å; F251-A253 PolarHBondContact O-N 3.38Å; A253-S255 VanDerWaalsContact C-N 3.34Å; A253-S255 PolarHBondContact O-N 3.41Å; A253-T256 PolarHBondContact O-N 3.13Å; A253-I257 VanDerWaalsContact O-CG1 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 2.96Å
254I97.1Very high94.8Very high6 Ų646.1 Ų46.13%0.03127%0.271CS..Hα-helixtrans-60.4-44.2178.1-68.6162.8000110.8E33 A37 V225 L231 T250 F251 T256 I257 S258E33-I254 HydrophobicContact CB-CD1 3.99Å; E33-I254 HydrophobicContact CB-CG1 4.45Å; E33-I254 HydrophobicContact CB-CG2 4Å; E33-I254 HydrophobicContact CG-CD1 3.97Å; A37-I254 HydrophobicContact CB-CG2 4.04Å; V225-I254 HydrophobicContact CG1-CD1 4.46Å; V225-I254 HydrophobicContact CG1-CG1 4.31Å; V225-I254 HydrophobicContact CG2-CG1 4.1Å; L231-I254 HydrophobicContact CD2-CD1 4.4Å; T250-I254 HydrophobicContact CG2-CD1 4.01Å; T250-I254 WeakPolarHBondContact O-CG1 3.45Å; T250-I254 PolarHBondContact O-N 3.49Å; F251-I254 PolarHBondContact O-N 3.08Å; I254-T256 VanDerWaalsContact C-N 3.34Å; I254-T256 PolarHBondContact O-N 3.01Å; I254-I257 PolarHBondContact O-N 3.04Å; I254-S258 WeakPolarHBondContact O-CB 3.37Å; I254-S258 PolarHBondContact O-N 3.33Å
255S96.1Very high94.7Very high36 Ų3643.6 Ų43.625%0.25225%0.253SS..Hα-helixtrans-62.2-40.8178.4-64.60000112F251 A253 S258 Q259F251-S255 WeakPolarHBondContact CE2-OG 3.26Å; F251-S255 VanDerWaalsContact CZ-OG 3.26Å; F251-S255 WeakPolarHBondContact CZ-OG 3.48Å; F251-S255 VanDerWaalsContact O-CB 3.29Å; F251-S255 WeakPolarHBondContact O-CB 3.16Å; F251-S255 PolarHBondContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.07Å; A253-S255 VanDerWaalsContact C-N 3.34Å; A253-S255 PolarHBondContact O-N 3.41Å; S255-S258 PolarHBondContact O-N 3.22Å; S255-Q259 WeakPolarHBondContact O-CB 3.46Å; S255-Q259 PolarHBondContact O-N 3.01Å
256T97.4Very high94.1Very high79 Ų7945.8 Ų45.849%0.48526%0.264SS..Hα-helixtrans-65.1-43.7176.7-58.30000111.6S252 A253 I254 T260S252-T256 WeakPolarHBondContact O-CB 3.46Å; S252-T256 PolarHBondContact O-N 3.19Å; S252-T256 PolarHBondContact O-OG1 2.67Å; A253-T256 PolarHBondContact O-N 3.13Å; I254-T256 VanDerWaalsContact C-N 3.34Å; I254-T256 PolarHBondContact O-N 3.01Å; T256-T260 WeakPolarHBondContact O-CB 3.35Å; T256-T260 PolarHBondContact O-N 3.47Å; T256-T260 PolarHBondContact O-OG1 3.07Å
257I98Very high92.7Very high4 Ų447.6 Ų47.62%0.02127%0.274CS..Hα-helixtrans-60.1-50175.6-68.9164.1000109.8L34 V187 L222 V225 A253 I254 Q259 T260 L261L34-I257 HydrophobicContact CD2-CG2 3.74Å; V187-I257 HydrophobicContact CG1-CD1 4.11Å; V187-I257 HydrophobicContact CG2-CG2 3.77Å; L222-I257 HydrophobicContact CB-CG1 4.43Å; L222-I257 HydrophobicContact CB-CG2 3.99Å; L222-I257 WeakPolarHBondContact O-CG1 3.26Å; V225-I257 HydrophobicContact CG2-CD1 3.57Å; A253-I257 VanDerWaalsContact O-CG1 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 2.96Å; I254-I257 PolarHBondContact O-N 3.04Å; I257-Q259 PolarHBondContact O-N 3.34Å; I257-T260 PolarHBondContact O-N 3.19Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 PolarHBondContact O-N 3.25Å
258S97.3Very high90.5Very high5 Ų547.4 Ų47.44%0.03527%0.273CS..Hα-helixtrans-61.4-44.5-179.2-1780000112.2L38 I254 S255 T260 L261 L262L38-S258 WeakPolarHBondContact CD2-OG 3.48Å; L38-S258 WeakPolarHBondContact CG-OG 3.45Å; I254-S258 WeakPolarHBondContact O-CB 3.37Å; I254-S258 PolarHBondContact O-N 3.33Å; S255-S258 PolarHBondContact O-N 3.22Å; S258-T260 PolarHBondContact O-N 3.22Å; S258-L261 PolarHBondContact O-N 3.05Å; S258-L262 WeakPolarHBondContact O-CB 3.47Å; S258-L262 PolarHBondContact O-N 2.96Å
259Q96.1Very high90.4Very high93 Ų9348.8 Ų48.844%0.43528%0.28SS..Hα-helixtrans-64.3-41.4176.9-172.263.450.400111.9S255 I257 L262 N263S255-Q259 WeakPolarHBondContact O-CB 3.46Å; S255-Q259 PolarHBondContact O-N 3.01Å; I257-Q259 PolarHBondContact O-N 3.34Å; Q259-L262 PolarHBondContact O-N 3.45Å; Q259-N263 PolarHBondContact NE2-OD1 2.96Å; Q259-N263 WeakPolarHBondContact O-CB 3.43Å; Q259-N263 PolarHBondContact O-N 2.77Å; Q259-N263 PolarHBondContact O-ND2 3.22Å; Q259-N263 PolarHBondContact O-OD1 3.3Å
260T96.2Very high90.3Very high54 Ų5448 Ų4833%0.33127%0.271SS..Hα-helixtrans-64-44177.5-56.30000110.8L222 T256 I257 S258 N263 S264L222-T260 HydrophobicContact CD2-CG2 3.79Å; T256-T260 WeakPolarHBondContact O-CB 3.35Å; T256-T260 PolarHBondContact O-N 3.47Å; T256-T260 PolarHBondContact O-OG1 3.07Å; I257-T260 PolarHBondContact O-N 3.19Å; S258-T260 PolarHBondContact O-N 3.22Å; T260-N263 PolarHBondContact O-N 2.93Å; T260-S264 PolarHBondContact O-N 2.95Å; T260-S264 VanDerWaalsContact O-N 3.1Å
261L96.6Very high90.1Very high0 Ų050.7 Ų50.70%029%0.286CS..Hα-helixtrans-59.1-50.7174176.263.1000110.9L34 V156 L184 I257 S258 N263 S264 L265L34-L261 HydrophobicContact CD1-CD2 4.32Å; V156-L261 HydrophobicContact CG2-CD1 3.77Å; V156-L261 HydrophobicContact CG2-CD2 4.14Å; L184-L261 HydrophobicContact CB-CD1 3.99Å; L184-L261 HydrophobicContact CD1-CD1 3.73Å; L184-L261 HydrophobicContact CG-CD1 4.46Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 PolarHBondContact O-N 3.25Å; S258-L261 PolarHBondContact O-N 3.05Å; L261-N263 VanDerWaalsContact C-N 3.33Å; L261-N263 PolarHBondContact O-N 3.39Å; L261-S264 WeakPolarHBondContact O-CB 3.34Å; L261-S264 PolarHBondContact O-N 3.42Å; L261-S264 PolarHBondContact O-OG 3.23Å; L261-L265 HydrophobicContact CG-CD1 4.48Å; L261-L265 WeakPolarHBondContact O-CG 3.47Å; L261-L265 PolarHBondContact O-N 3.13Å
262L94.6Very high89.8Confident12 Ų1250.6 Ų50.66%0.06329%0.29CS..Hα-helixtrans-59.9-42.5-179.3-17861.8000112.2L38 S258 Q259 S264 L265 Q266L38-L262 HydrophobicContact CD2-CB 4.08Å; L38-L262 HydrophobicContact CD2-CD1 4.22Å; L38-L262 HydrophobicContact CD2-CD2 4.42Å; L38-L262 HydrophobicContact CD2-CG 4.47Å; S258-L262 WeakPolarHBondContact O-CB 3.47Å; S258-L262 PolarHBondContact O-N 2.96Å; Q259-L262 PolarHBondContact O-N 3.45Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 3.48Å; L262-Q266 WeakPolarHBondContact O-CG 3.4Å; L262-Q266 PolarHBondContact O-N 2.93Å
263N93.7Very high89.5Confident77 Ų7749.4 Ų49.441%0.41228%0.277SS..Hα-helixtrans-61.6-38.6176.1-68.9-12.1000111.4Q259 T260 L261 L265 Q266 T267Q259-N263 PolarHBondContact NE2-OD1 2.96Å; Q259-N263 WeakPolarHBondContact O-CB 3.43Å; Q259-N263 PolarHBondContact O-N 2.77Å; Q259-N263 PolarHBondContact O-ND2 3.22Å; Q259-N263 PolarHBondContact O-OD1 3.3Å; T260-N263 PolarHBondContact O-N 2.93Å; L261-N263 VanDerWaalsContact C-N 3.33Å; L261-N263 PolarHBondContact O-N 3.39Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 2.99Å; N263-Q266 PolarHBondContact O-N 2.95Å; N263-T267 PolarHBondContact O-OG1 3.42Å
264S92.1Very high89.1Confident21 Ų2151.2 Ų51.215%0.14728%0.283CS..Hα-helixtrans-65.7-28.1179.279.60000113.6T260 L261 L262 T267T260-S264 PolarHBondContact O-N 2.95Å; T260-S264 VanDerWaalsContact O-N 3.1Å; L261-S264 WeakPolarHBondContact O-CB 3.34Å; L261-S264 PolarHBondContact O-N 3.42Å; L261-S264 PolarHBondContact O-OG 3.23Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.47Å; S264-T267 PolarHBondContact O-OG1 3.26Å
265L91.1Very high88.5Confident4 Ų454.4 Ų54.42%0.02130%0.302CS..Hα-helixtrans-79.5-25.4177.6-64.3173000112.6H14 V16 V127 D153 L184 L261 L262 N263H14-L265 HydrophobicContact CB-CD1 4.13Å; H14-L265 HydrophobicContact CB-CD2 4.35Å; H14-L265 PolarHBondContact CE1-O 3.24Å; V16-L265 HydrophobicContact CG2-CD1 4Å; V16-L265 HydrophobicContact CG2-CD2 3.87Å; V127-L265 HydrophobicContact CG2-CD1 4.38Å; D153-L265 HydrophobicContact CB-CD2 3.78Å; L184-L265 HydrophobicContact CD1-CD2 3.92Å; L184-L265 HydrophobicContact CD2-CD2 4.36Å; L261-L265 HydrophobicContact CG-CD1 4.48Å; L261-L265 WeakPolarHBondContact O-CG 3.47Å; L261-L265 PolarHBondContact O-N 3.13Å; L262-L265 PolarHBondContact O-N 3.48Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 2.99Å
266Q81.1Confident87.9Confident113 Ų11355.8 Ų55.853%0.52831%0.305SS..Hα-helixtrans-84.9-12.9-178.9-69.4176.16.800113.8L262 N263 D268L262-Q266 WeakPolarHBondContact O-CG 3.4Å; L262-Q266 PolarHBondContact O-N 2.93Å; N263-Q266 PolarHBondContact O-N 2.95Å; Q266-D268 VanDerWaalsContact C-N 3.29Å; Q266-D268 PolarHBondContact O-N 3.34Å
267T62.2Low87.1Confident103 Ų10353.9 Ų53.963%0.63229%0.29SS*.THydrogen-bonded Turntrans-804-175.620.30000115.7N263 S264N263-T267 PolarHBondContact O-OG1 3.42Å; S264-T267 PolarHBondContact O-OG1 3.26Å
268D46.7Very low86.1Confident161 Ų16158.5 Ų58.586%0.86132%0.315SS*.  trans-121.90178.8-63.4-45.9000113.8R182 Q266R182-D268 IonicContact CZ-OD2 3.88Å; R182-D268 IonicContact NH1-OD2 3.98Å; R182-D268 PolarHBondContact NH1-OD2 2.92Å; Q266-D268 VanDerWaalsContact C-N 3.29Å; Q266-D268 PolarHBondContact O-N 3.34Å

Retrieved 268 of 268 residues in 105.4 ms (Link to these results)

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