A0A087YFN1_POEFO Loading...

Large ribosomal subunit protein uL14m

AlphaFold DB , UniProt , Accession A0A087YFN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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
1M38.2Very low44Very low230 Ų230166 Ų166100%1.13382%0.824SS**  0128.20-82-66.717600108.2
2T36.2Very low44.6Very low128 Ų128163.3 Ų163.379%0.78582%0.823SS**  trans67.991.3158.361.60000120
3F43.9Very low45.4Very low199 Ų199159.7 Ų159.787%0.87381%0.814SS**  15127.2118.9-96.1-101.2000117.9
4L39.8Very low45.9Very low137 Ų137158.2 Ų158.272%0.71781%0.808SS**  -175.9136.8110-129.677.4000114.4
5R40.8Very low46.8Very low210 Ų210154.9 Ų154.979%0.79280%0.798SS**  trans71.895.4144.7-83.9175.1-166.8-156.5-1.2121.3
6L50.6Low47.5Very low156 Ų156155.7 Ų155.782%0.81780%0.797SS**  trans-39.6129.8134.5-125.785.9000112.1
7L42Very low48Very low156 Ų156153.3 Ų153.382%0.81779%0.791SS**  trans-142.4115.5151.5-136.1131.3000108.5
8Q53.7Low48.8Very low161 Ų161150.7 Ų150.775%0.75279%0.789SS**  trans-61.2133.9-176.1-65.2170.8-44.700110.8
9Q46.4Very low49.4Very low194 Ų194147.7 Ų147.791%0.90778%0.782SS**  trans-117.3101.9162.1-68.7-175.9-3.500107.6
10L47.7Very low50Low147 Ų147146.6 Ų146.677%0.7778%0.781SS**  trans-74.9147.4170-72.2170.1000109.5V12L10-V12 PolarHBondContact O-N 3.36Å
11P44.7Very low50.6Low108 Ų108146.3 Ų146.370%0.70178%0.778SS**  trans-76.5120.1-175.631.4-31.3000109.8V13P11-V13 PolarHBondContact O-N 3.15Å; P11-V13 VanDerWaalsContact O-N 3.15Å
12V51.9Low51.9Low134 Ų134142.8 Ų142.881%0.81276%0.763SS**  trans-79.694.4168.3179.60000107.5L10 L14L10-V12 PolarHBondContact O-N 3.36Å; V12-L14 PolarHBondContact O-N 3.25Å
13V54.7Low53.1Low116 Ų116145.2 Ų145.270%0.70377%0.766SS**  trans-76.9103.8168.6179.10000107.5P11 V15P11-V13 PolarHBondContact O-N 3.15Å; P11-V13 VanDerWaalsContact O-N 3.15Å; V13-V15 HydrophobicContact CG1-CG2 4.33Å; V13-V15 PolarHBondContact O-N 3.09Å; V13-V15 VanDerWaalsContact O-N 3.09Å
14L52.4Low54Low139 Ų139145.4 Ų145.473%0.72876%0.761SS**  trans-77.492.8177-154.4126.6000108.7V12 Q16V12-L14 PolarHBondContact O-N 3.25Å; L14-Q16 HydrophobicContact CD2-CG 4.07Å; L14-Q16 PolarHBondContact O-N 3.08Å; L14-Q16 VanDerWaalsContact O-N 3.08Å
15V58.7Low55.2Low109 Ų109146.9 Ų146.966%0.66177%0.769SS**  trans-70102.8172.2179.10000107.8V13 T17V13-V15 HydrophobicContact CG1-CG2 4.33Å; V13-V15 PolarHBondContact O-N 3.09Å; V13-V15 VanDerWaalsContact O-N 3.09Å; V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 HydrophobicContact CG1-CG2 3.96Å; V15-T17 PolarHBondContact O-N 2.97Å
16Q57.8Low56.3Low167 Ų167144.9 Ų144.978%0.7877%0.766SS**  trans-70.691167.8-80.4179.6-58.200108.8L14 S18L14-Q16 HydrophobicContact CD2-CG 4.07Å; L14-Q16 PolarHBondContact O-N 3.08Å; L14-Q16 VanDerWaalsContact O-N 3.08Å; Q16-S18 PolarHBondContact O-N 2.85Å; Q16-S18 VanDerWaalsContact O-N 3.08Å
17T57.3Low57Low115 Ų115142.3 Ų142.371%0.70676%0.762SS**  trans-73.994.8164.2550000108V15 S19V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 HydrophobicContact CG1-CG2 3.96Å; V15-T17 PolarHBondContact O-N 2.97Å; T17-S19 VanDerWaalsContact C-N 3.26Å; T17-S19 PolarHBondContact O-N 3.08Å
18S61.8Low58.2Low107 Ų107141.6 Ų141.675%0.74876%0.763SS**  trans-64.189.7167.3-61.40000108.7Q16 T20Q16-S18 PolarHBondContact O-N 2.85Å; Q16-S18 VanDerWaalsContact O-N 3.08Å; S18-T20 PolarHBondContact O-N 3.01Å
19S60.4Low58.7Low94 Ų94138.2 Ų138.266%0.65776%0.758SS**  trans-69.798.1171.758.60000108.1T17 I21T17-S19 VanDerWaalsContact C-N 3.26Å; T17-S19 PolarHBondContact O-N 3.08Å; S19-I21 VanDerWaalsContact C-N 3.33Å; S19-I21 PolarHBondContact O-N 2.88Å
20T61.2Low59.6Low124 Ų124135.2 Ų135.276%0.76175%0.752SS**  trans-68.195.7167.543.90000107.8S18 L22S18-T20 PolarHBondContact O-N 3.01Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.95Å
21I63.5Low60.7Low142 Ų142132.8 Ų132.873%0.72875%0.754SS**  trans-64.498.6171.3-61.6173.1000106.3S19 Q23S19-I21 VanDerWaalsContact C-N 3.33Å; S19-I21 PolarHBondContact O-N 2.88Å; I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.42Å; I21-Q23 PolarHBondContact O-N 2.89Å
22L63.8Low62.5Low156 Ų156131.4 Ų131.482%0.81774%0.743SS**  trans-62.891.9167.2-75.8166.1000107.5T20 R24T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.95Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.84Å
23Q62.2Low64.1Low179 Ų179127.8 Ų127.884%0.83672%0.722SS**  trans-63.197.4169.1-82.9-173.6-43.800108.1I21 N25I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.42Å; I21-Q23 PolarHBondContact O-N 2.89Å; Q23-N25 PolarHBondContact O-N 3.29Å
24R63.3Low65.8Low203 Ų203122.9 Ų122.977%0.76669%0.694SS**  trans-70.6115.1166.2-65.2-177.8121.2127.81.3106.8L22 F26L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.84Å; R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 HydrophobicContact CB-CZ 4.14Å; R24-F26 WeakPolarHBondContact O-CD2 3.17Å; R24-F26 PolarHBondContact O-N 2.94Å
25N64.4Low67.9Low167 Ų167116.3 Ų116.389%0.89366%0.66SS**  trans-61.4103169.9-103.3-0.8000108.9Q23Q23-N25 PolarHBondContact O-N 3.29Å
26F65.1Low69.7Low168 Ų168114.6 Ų114.674%0.73765%0.645SS**  trans-80.7123.8171.6-67-77.2000108.7R24 V28R24-F26 HydrophobicContact CB-CE2 4.13Å; R24-F26 HydrophobicContact CB-CZ 4.14Å; R24-F26 WeakPolarHBondContact O-CD2 3.17Å; R24-F26 PolarHBondContact O-N 2.94Å; F26-V28 PolarHBondContact O-N 3.08Å; F26-V28 VanDerWaalsContact O-N 3.08Å
27S63.8Low71.5Confident103 Ų103113 Ų11372%0.7264%0.635SS**  trans-68.6105.7170.2-177.20000108.7S29S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.46Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å
28V68.6Low73.3Confident140 Ų140113.5 Ų113.585%0.84863%0.631SS**  trans-85.72.7177.8-68.70000113.5F26 V30F26-V28 PolarHBondContact O-N 3.08Å; F26-V28 VanDerWaalsContact O-N 3.08Å; V28-V30 PolarHBondContact O-N 3.08Å
29S62.8Low74.9Confident90 Ų90109.2 Ų109.263%0.62960%0.6SS**SBendtrans-66134.1177.857.20000111S27 A31S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 PolarHBondContact OG-OG 3.46Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å; S29-A31 PolarHBondContact O-N 3.23Å
30V66.3Low76.6Confident131 Ų131112.4 Ų112.479%0.79460%0.598SS**  trans-57.2135.3175.6-70.70000110.3V28 T32V28-V30 PolarHBondContact O-N 3.08Å; V30-T32 PolarHBondContact O-N 3.16Å
31A71.1Confident78.2Confident97 Ų97107.2 Ų107.280%0.80257%0.566SS**  trans-60.2115.4178.400000109.9S29 P33S29-A31 PolarHBondContact O-N 3.23Å; A31-P33 WeakPolarHBondContact O-CD 3.42Å
32T81.3Confident79.8Confident79 Ų79107.3 Ų107.349%0.48556%0.557SS.*  trans-63.5122.7-178.453.50000110.1V30 A34 Q36V30-T32 PolarHBondContact O-N 3.16Å; T32-A34 PolarHBondContact O-N 3.44Å; T32-Q36 PolarHBondContact OG1-NE2 3.07Å
33P85.3Confident81.4Confident57 Ų57100.6 Ų100.637%0.3752%0.523SS..  trans-76.5-13.3-178.331.7-36.3000113.1A31 K93 M94A31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-K93 HydrophobicContact CB-CB 4.44Å; P33-M94 HydrophobicContact CB-CB 4.34Å; P33-M94 HydrophobicContact CG-CB 4.47Å; P33-M94 PolarHBondContact O-N 3.14Å
34A91.2Very high83Confident14 Ų1492.3 Ų92.312%0.11648%0.484CS..SBendtrans-75.7150.4-179.900000112.6T32 T39 I69 M94T32-A34 PolarHBondContact O-N 3.44Å; A34-T39 PolarHBondContact O-OG1 3.38Å; A34-I69 HydrophobicContact CB-CG2 4.12Å; A34-M94 HydrophobicContact CB-SD 3.96Å
35I95.8Very high84.6Confident0 Ų082.7 Ų82.70%045%0.448CS..BIsolated β-bridgetrans-85.1115.6173.1-62.4175000108.4V60 G70 I89 H92 N106I35-V60 HydrophobicContact CG2-CG2 4Å; I35-G70 PolarHBondContact O-N 3.29Å; I35-I89 HydrophobicContact CB-CD1 4.07Å; I35-I89 HydrophobicContact CD1-CB 4.45Å; I35-I89 HydrophobicContact CD1-CD1 3.89Å; I35-I89 HydrophobicContact CD1-CG1 4.01Å; I35-I89 HydrophobicContact CD1-CG2 3.58Å; I35-I89 HydrophobicContact CG2-CD1 3.8Å; I35-I89 HydrophobicContact CG2-CG1 4.49Å; I35-H92 HydrophobicContact CD1-CB 3.83Å; I35-H92 HydrophobicContact CG1-CB 4.21Å; I35-N106 HydrophobicContact CD1-CB 3.99Å; I35-N106 HydrophobicContact CG1-CB 4.13Å
36Q96Very high86Confident73 Ų7377.6 Ų77.634%0.34142%0.421SS..  trans-143.7-173.8178.561179.24.200109.4T32 M38 T39 V60T32-Q36 PolarHBondContact OG1-NE2 3.07Å; Q36-M38 PolarHBondContact O-N 3.48Å; Q36-T39 PolarHBondContact N-OG1 3.34Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 VanDerWaalsContact O-CB 3.26Å; Q36-T39 WeakPolarHBondContact O-CB 3.23Å; Q36-T39 PolarHBondContact O-N 3.07Å; Q36-T39 PolarHBondContact O-OG1 3.35Å; Q36-T39 VanDerWaalsContact O-OG1 3.05Å; Q36-V60 WeakPolarHBondContact O-CB 3.46Å
37K96.2Very high87.5Confident133 Ų13369.9 Ų69.958%0.57839%0.388SS*.THydrogen-bonded Turntrans-54.7142.4175.4-61.5-177.2179.7171.40110.6T39 I61K37-T39 PolarHBondContact O-N 3.19Å; K37-T39 VanDerWaalsContact O-N 3.15Å; K37-I61 WeakPolarHBondContact CG-O 3.37Å
38M94.8Very high88.9Confident126 Ų12669.3 Ų69.362%0.62138%0.384SS*.THydrogen-bonded Turntrans66.5-0.1-178.1-60.8-67.1-84.300116.2Q36 R40 V60Q36-M38 PolarHBondContact O-N 3.48Å; M38-R40 PolarHBondContact O-N 3.15Å; M38-V60 PolarHBondContact N-O 2.94Å
39T95.8Very high90.1Very high17 Ų1764.1 Ų64.110%0.10435%0.351CS..  trans-64.5133.3173.9-60.20000110.5A34 Q36 K37 V41 R59 V60A34-T39 PolarHBondContact O-OG1 3.38Å; Q36-T39 PolarHBondContact N-OG1 3.34Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 VanDerWaalsContact O-CB 3.26Å; Q36-T39 WeakPolarHBondContact O-CB 3.23Å; Q36-T39 PolarHBondContact O-N 3.07Å; Q36-T39 PolarHBondContact O-OG1 3.35Å; Q36-T39 VanDerWaalsContact O-OG1 3.05Å; K37-T39 PolarHBondContact O-N 3.19Å; K37-T39 VanDerWaalsContact O-N 3.15Å; T39-V41 HydrophobicContact CG2-CG1 4.44Å; T39-R59 WeakPolarHBondContact O-CA 3.43Å; T39-V60 PolarHBondContact O-N 3.1Å; T39-V60 VanDerWaalsContact O-N 3.07Å
40R95.6Very high91.5Very high162 Ų16261 Ų6161%0.61133%0.332SS*.BIsolated β-bridgetrans-78.3135.2171-60.6179.1-170.6-178.73.1109.1M38 P57 R59M38-R40 PolarHBondContact O-N 3.15Å; R40-P57 HydrophobicContact CG-CG 4.31Å; R40-R59 HydrophobicContact CG-CG 4.32Å
41V96.4Very high92.8Very high14 Ų1458.4 Ų58.49%0.08531%0.314CS..  trans-128.9161.3-179.5-62.30000110.6T39 P58 V60 L78 N106 V108T39-V41 HydrophobicContact CG2-CG1 4.44Å; V41-P58 PolarHBondContact N-O 3.47Å; V41-P58 WeakPolarHBondContact O-CG 3.48Å; V41-V60 HydrophobicContact CG1-CG2 3.88Å; V41-L78 HydrophobicContact CG2-CD1 3.31Å; V41-L78 HydrophobicContact CG2-CD2 4.28Å; V41-L78 HydrophobicContact CG2-CG 4.43Å; V41-N106 HydrophobicContact CG1-CB 4.16Å; V41-V108 HydrophobicContact CB-CG1 4Å; V41-V108 HydrophobicContact CB-CG2 4.02Å; V41-V108 HydrophobicContact CG1-CG1 4.11Å; V41-V108 HydrophobicContact CG2-CG1 4.24Å; V41-V108 HydrophobicContact CG2-CG2 3.64Å
42R96.4Very high93.9Very high144 Ų14456.7 Ų56.754%0.54329%0.294SS..EExtended strand (participates in β ladder)trans-104.5121.3173.7-178.1-177.9177.5-175.10.7108.5V44 N106 N107 V108R42-V44 HydrophobicContact CG-CG1 4.05Å; R42-N106 PolarHBondContact N-O 3.19Å; R42-N107 WeakPolarHBondContact O-CA 3.34Å; R42-V108 PolarHBondContact O-N 2.79Å
43V97.2Very high94.5Very high16 Ų1658.5 Ų58.510%0.09731%0.307CS..EExtended strand (participates in β ladder)trans-77.5126.2169.6-178.50000108.2D45 P58 L78 I80 V108 L110V43-D45 WeakPolarHBondContact CG1-OD1 3.44Å; V43-P58 HydrophobicContact CG2-CG 4.27Å; V43-L78 HydrophobicContact CG2-CD2 3.97Å; V43-I80 HydrophobicContact CG2-CD1 3.83Å; V43-V108 WeakPolarHBondContact CA-O 3.49Å; V43-V108 HydrophobicContact CG2-CG2 4.04Å; V43-L110 HydrophobicContact CG1-CD1 4.16Å; V43-L110 HydrophobicContact CG1-CD2 4.41Å; V43-L110 HydrophobicContact CG1-CG 3.86Å; V43-L110 HydrophobicContact CG2-CD2 4.21Å
44V96.8Very high95Very high4 Ų459.5 Ų59.52%0.02431%0.307CS..  trans-112.65.3-172.2-63.50000114.2R42 V90 N107 V108 V109 I122 K123 V124R42-V44 HydrophobicContact CG-CG1 4.05Å; V44-V90 HydrophobicContact CG2-CG2 3.91Å; V44-N107 HydrophobicContact CG1-CB 3.82Å; V44-N107 HydrophobicContact CG2-CB 4.32Å; V44-V108 WeakPolarHBondContact CG2-O 3.26Å; V44-V108 PolarHBondContact N-O 2.92Å; V44-V109 HydrophobicContact CG2-CG2 3.78Å; V44-I122 HydrophobicContact CG2-CG2 4.26Å; V44-K123 PolarHBondContact O-N 3.45Å; V44-K123 VanDerWaalsContact O-N 3.11Å; V44-V124 HydrophobicContact CB-CB 4.41Å; V44-V124 HydrophobicContact CB-CG1 3.98Å; V44-V124 HydrophobicContact CB-CG2 3.56Å; V44-V124 HydrophobicContact CG1-CB 4.47Å; V44-V124 HydrophobicContact CG1-CG1 3.81Å; V44-V124 HydrophobicContact CG1-CG2 3.81Å; V44-V124 HydrophobicContact CG2-CG2 3.57Å
45D95.3Very high95.2Very high1 Ų166 Ų661%0.00533%0.334CS..BIsolated β-bridgetrans-84.6168.5172.963.932.3000112.4V43 S47 V109 L110V43-D45 WeakPolarHBondContact CG1-OD1 3.44Å; D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.49Å; D45-S47 VanDerWaalsContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.12Å; D45-V109 HydrophobicContact CB-CG1 4.37Å; D45-L110 VanDerWaalsContact OD2-CB 3.23Å; D45-L110 WeakPolarHBondContact OD2-CB 3.4Å; D45-L110 WeakPolarHBondContact OD2-CG 3.45Å; D45-L110 PolarHBondContact OD2-N 3.23Å
46N95.3Very high95.1Very high60 Ų6074.7 Ų74.732%0.32137%0.367SS..  trans-88.615.4174.674.2-30.1000113.4N51 G119 T120 R121N46-N51 VanDerWaalsContact CA-ND2 3.31Å; N46-N51 WeakPolarHBondContact CA-ND2 3.47Å; N46-N51 PolarHBondContact O-ND2 2.9Å; N46-G119 WeakPolarHBondContact OD1-CA 3.37Å; N46-T120 PolarHBondContact OD1-N 2.64Å; N46-R121 HydrophobicContact CB-CB 4.41Å; N46-R121 PolarHBondContact N-O 2.95Å; N46-R121 PolarHBondContact OD1-N 3.37Å; N46-R121 PolarHBondContact OD1-O 3.34Å
47S94.9Very high95Very high7 Ų774 Ų745%0.04937%0.369CS..  trans-62.8151-178.870.50000111.8D45 L49 G50 N51D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.49Å; D45-S47 VanDerWaalsContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.12Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 2.8Å; S47-G50 PolarHBondContact O-N 3.43Å; S47-G50 PolarHBondContact OG-N 3Å; S47-N51 PolarHBondContact O-N 2.84Å; S47-N51 VanDerWaalsContact O-N 3.11Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 VanDerWaalsContact O-ND2 3.08Å
48S94.1Very high95.1Very high90 Ų9068.9 Ų68.963%0.62935%0.349SS*.Hα-helixtrans-61.6-37.717557.60000111.4T52S48-T52 WeakPolarHBondContact O-CB 3.49Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 VanDerWaalsContact O-N 3.12Å; S48-T52 PolarHBondContact O-OG1 3.11Å
49L94.6Very high95.2Very high32 Ų3266.8 Ų66.817%0.16833%0.334CS..Hα-helixtrans-62.8-43.1177.5-66.1178.6000112.5S47 I80 K81 L110S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 2.8Å; L49-I80 WeakPolarHBondContact O-CD1 3.19Å; L49-K81 HydrophobicContact CD2-CD 4.49Å; L49-L110 HydrophobicContact CB-CD1 4.07Å
50G91.7Very high95.3Very high23 Ų2366 Ų6624%0.23733%0.329CS..Hα-helixtrans-72-39.4-179.800000113.9S47S47-G50 PolarHBondContact O-N 3.43Å; S47-G50 PolarHBondContact OG-N 3Å
51N93.3Very high95.4Very high77 Ų7762.2 Ų62.241%0.41232%0.321SS..Hα-helixtrans-86.3-24.4-173.5-69.6-50000114.3N46 S47 P53 K123N46-N51 VanDerWaalsContact CA-ND2 3.31Å; N46-N51 WeakPolarHBondContact CA-ND2 3.47Å; N46-N51 PolarHBondContact O-ND2 2.9Å; S47-N51 PolarHBondContact O-N 2.84Å; S47-N51 VanDerWaalsContact O-N 3.11Å; S47-N51 PolarHBondContact O-ND2 3.48Å; S47-N51 VanDerWaalsContact O-ND2 3.08Å; N51-P53 WeakPolarHBondContact O-CD 3.26Å; N51-K123 PolarHBondContact OD1-NZ 3.28Å
52T94.1Very high95.5Very high61 Ų6165.3 Ų65.337%0.37433%0.334SS..SBendtrans-71.1128.1-178.2-48.70000110.4S48 K81S48-T52 WeakPolarHBondContact O-CB 3.49Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 VanDerWaalsContact O-N 3.12Å; S48-T52 PolarHBondContact O-OG1 3.11Å; T52-K81 PolarHBondContact OG1-NZ 2.82Å
53P94.8Very high95.5Very high118 Ų11858.6 Ų58.677%0.76631%0.309SS*.  trans-58.2147175.5-2434.2000112.7N51N51-P53 WeakPolarHBondContact O-CD 3.26Å
54H95.4Very high95.5Very high77 Ų7763 Ų6336%0.35633%0.325SS..  trans-150.3147177-170.9-98000110.3R56 K81H54-R56 PolarHBondContact ND1-N 2.79Å; H54-R56 PolarHBondContact ND1-O 2.8Å; H54-R56 VanDerWaalsContact ND1-O 3.14Å; H54-R56 PolarHBondContact O-N 2.85Å; H54-R56 VanDerWaalsContact O-N 3.16Å; H54-K81 HydrophobicContact CB-CG 4.09Å
55H95.1Very high95.5Very high151 Ų15164.5 Ų64.570%0.69933%0.334SS*.SBendtrans-62.5-23.8-175.866.1-84.7000113.7
56R93.3Very high95.5Very high182 Ų18274.7 Ų74.769%0.68738%0.379SS*.SBendtrans-114.3131.5174.6-78.8168.6-177.2-170.71.9110.7H54H54-R56 PolarHBondContact ND1-N 2.79Å; H54-R56 PolarHBondContact ND1-O 2.8Å; H54-R56 VanDerWaalsContact ND1-O 3.14Å; H54-R56 PolarHBondContact O-N 2.85Å; H54-R56 VanDerWaalsContact O-N 3.16Å
57P95.1Very high95.4Very high58 Ų5878.8 Ų78.838%0.37740%0.4SS..  trans-70.3155.8175.231.3-35.6000110.8R40R40-P57 HydrophobicContact CG-CG 4.31Å
58P97.3Very high95.4Very high26 Ų2679.9 Ų79.917%0.16941%0.412CS..  trans-68137.517826.2-31000111.5V41 V43 L78 A79 I80V41-P58 PolarHBondContact N-O 3.47Å; V41-P58 WeakPolarHBondContact O-CG 3.48Å; V43-P58 HydrophobicContact CG2-CG 4.27Å; P58-L78 HydrophobicContact CB-CD1 4.2Å; P58-L78 HydrophobicContact CB-CD2 3.86Å; P58-L78 HydrophobicContact CB-CG 4.07Å; P58-A79 VanDerWaalsContact CA-O 3.23Å; P58-A79 WeakPolarHBondContact CA-O 3.25Å; P58-I80 HydrophobicContact CB-CB 4.17Å; P58-I80 HydrophobicContact CB-CD1 4.16Å; P58-I80 HydrophobicContact CB-CG1 4.18Å; P58-I80 HydrophobicContact CG-CD1 4.48Å
59R97.2Very high95.5Very high82 Ų8279.2 Ų79.231%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-132.2144.8-177.2-67-173.1-176-146.88.6111.9T39 R40 L78 A79T39-R59 WeakPolarHBondContact O-CA 3.43Å; R40-R59 HydrophobicContact CG-CG 4.32Å; R59-L78 VanDerWaalsContact C-CD1 3.46Å; R59-L78 WeakPolarHBondContact O-CD1 3.48Å; R59-A79 PolarHBondContact N-O 3.17Å; R59-A79 PolarHBondContact O-N 3.3Å
60V97.9Very high95.5Very high0 Ų077.8 Ų77.80%039%0.394CS..EExtended strand (participates in β ladder)trans-74.7128.8175.5177.20000110I35 Q36 M38 T39 V41 V63 V76 L78I35-V60 HydrophobicContact CG2-CG2 4Å; Q36-V60 WeakPolarHBondContact O-CB 3.46Å; M38-V60 PolarHBondContact N-O 2.94Å; T39-V60 PolarHBondContact O-N 3.1Å; T39-V60 VanDerWaalsContact O-N 3.07Å; V41-V60 HydrophobicContact CG1-CG2 3.88Å; V60-V63 HydrophobicContact CG1-CG2 3.93Å; V60-V76 HydrophobicContact CG1-CB 4.1Å; V60-V76 HydrophobicContact CG1-CG1 4.31Å; V60-V76 HydrophobicContact CG2-CG2 4.37Å; V60-L78 HydrophobicContact CG2-CD1 4.12Å
61I97.5Very high95.7Very high84 Ų8482.2 Ų82.243%0.43141%0.407SS..EExtended strand (participates in β ladder)trans-98.2-40.1176.2-60.7165.9000110.4K37 L77 A79K37-I61 WeakPolarHBondContact CG-O 3.37Å; I61-L77 PolarHBondContact N-O 3.12Å; I61-A79 HydrophobicContact CD1-CB 3.45Å; I61-A79 VanDerWaalsContact CD1-CB 3.45Å; I61-A79 HydrophobicContact CG1-CB 3.88Å
62H97.8Very high95.8Very high78 Ų7880.3 Ų80.336%0.36140%0.398SS..EExtended strand (participates in β ladder)trans-144.3142.9-176-176.774000110.6Y64 V76 L77H62-Y64 AromaticContact CD2-CD1 3.68Å; H62-Y64 AromaticContact CD2-CE1 3.68Å; H62-Y64 AromaticContact CD2-CG 3.99Å; H62-Y64 AromaticContact CD2-CZ 3.99Å; H62-Y64 AromaticContact NE2-CD1 3.7Å; H62-Y64 AromaticContact NE2-CE1 3.98Å; H62-V76 CarbonylContact O-C 3.58Å; H62-V76 WeakPolarHBondContact O-CA 3.27Å; H62-L77 HydrophobicContact CB-CB 3.91Å; H62-L77 HydrophobicContact CB-CD2 4.44Å; H62-L77 PolarHBondContact N-O 2.6Å; H62-L77 PolarHBondContact O-N 2.91Å
63V98Very high95.8Very high4 Ų477.5 Ų77.52%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-113.4127.5172.8-175.60000106.6V60 T65 V76V60-V63 HydrophobicContact CG1-CG2 3.93Å; V63-T65 HydrophobicContact CG1-CG2 4.01Å; V63-T65 VanDerWaalsContact CG1-OG1 3.29Å; V63-T65 WeakPolarHBondContact CG1-OG1 3.42Å; V63-T65 PolarHBondContact O-N 3.08Å; V63-V76 HydrophobicContact CB-CG1 4.37Å; V63-V76 HydrophobicContact CG1-CG1 4.12Å; V63-V76 HydrophobicContact CG2-CG1 4.1Å
64Y96.4Very high95.8Very high107 Ų10774.1 Ų74.142%0.4236%0.357SS..SBendtrans-80.245.8-178.7-67.2-79.6000111.6H62 K75 L77 K86H62-Y64 AromaticContact CD2-CD1 3.68Å; H62-Y64 AromaticContact CD2-CE1 3.68Å; H62-Y64 AromaticContact CD2-CG 3.99Å; H62-Y64 AromaticContact CD2-CZ 3.99Å; H62-Y64 AromaticContact NE2-CD1 3.7Å; H62-Y64 AromaticContact NE2-CE1 3.98Å; Y64-K75 HydrophobicContact CD2-CB 3.7Å; Y64-K75 WeakPolarHBondContact CD2-O 3.31Å; Y64-K75 HydrophobicContact CE2-CB 4.48Å; Y64-K75 HydrophobicContact CG-CB 4.34Å; Y64-K75 PolarHBondContact N-O 3Å; Y64-K75 VanDerWaalsContact N-O 3.11Å; Y64-L77 HydrophobicContact CE2-CB 4.28Å; Y64-K86 HydrophobicContact CE2-CG 4.39Å; Y64-K86 WeakPolarHBondContact OH-CE 3.37Å
65T96.2Very high95.8Very high36 Ų3674.1 Ų74.122%0.22136%0.356CS..SBendtrans-128.2146.4175.963.10000109.5V63 N67 G68 I69 D74V63-T65 HydrophobicContact CG1-CG2 4.01Å; V63-T65 VanDerWaalsContact CG1-OG1 3.29Å; V63-T65 WeakPolarHBondContact CG1-OG1 3.42Å; V63-T65 PolarHBondContact O-N 3.08Å; T65-N67 PolarHBondContact O-N 3.11Å; T65-G68 PolarHBondContact O-N 3.35Å; T65-G68 PolarHBondContact OG1-N 3.17Å; T65-I69 PolarHBondContact OG1-N 2.9Å; T65-I69 PolarHBondContact OG1-O 2.69Å; T65-D74 HydrophobicContact CG2-CB 4.19Å; T65-D74 WeakPolarHBondContact CG2-OD2 3.41Å
66K95.8Very high96Very high216 Ų21667 Ų6794%0.93932%0.322SS*.THydrogen-bonded Turntrans-62.6-34.2179.2-64.5-177.2-178.7178.80112.2G68K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.41Å
67N93.7Very high96.2Very high146 Ų14659.9 Ų59.978%0.78130%0.298SS*.THydrogen-bonded Turntrans-79.8-11.5-177.7-58.9-15.8000113.2T65 I69T65-N67 PolarHBondContact O-N 3.11Å; N67-I69 PolarHBondContact O-N 3.43Å
68G94.4Very high96.3Very high29 Ų2957.1 Ų57.130%0.29928%0.28SS..SBendtrans726.6-177.700000115.3T65 K66T65-G68 PolarHBondContact O-N 3.35Å; T65-G68 PolarHBondContact OG1-N 3.17Å; K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.41Å
69I95.6Very high96.4Very high76 Ų7657.5 Ų57.539%0.3929%0.286SS..  trans-109.4128.9176.4-59.6172.4000107.8A34 T65 N67A34-I69 HydrophobicContact CB-CG2 4.12Å; T65-I69 PolarHBondContact OG1-N 2.9Å; T65-I69 PolarHBondContact OG1-O 2.69Å; N67-I69 PolarHBondContact O-N 3.43Å
70G96.1Very high96.4Very high2 Ų254 Ų542%0.02127%0.273CS..BIsolated β-bridgetrans-98.8129.2178.800000112.1I35I35-G70 PolarHBondContact O-N 3.29Å
71K95.4Very high96.2Very high116 Ų11657.3 Ų57.350%0.50429%0.287SS..  trans-106.7174.4172-64.6-173.7176.3-171.70110.5G73 D74 I89K71-G73 PolarHBondContact O-N 3.24Å; K71-D74 PolarHBondContact N-OD2 3.49Å; K71-D74 WeakPolarHBondContact O-CB 3.5Å; K71-D74 PolarHBondContact O-N 2.83Å; K71-I89 WeakPolarHBondContact O-CB 3.46Å; K71-I89 WeakPolarHBondContact O-CD1 3.35Å; K71-I89 WeakPolarHBondContact O-CG2 3.34Å
72V95Very high96.1Very high38 Ų3857.1 Ų57.123%0.2331%0.306CS..THydrogen-bonded Turntrans-56.9131.9171.2174.60000109.7H92 P127 L130V72-H92 PolarHBondContact N-CD2 3.11Å; V72-P127 HydrophobicContact CG1-CG 3.67Å; V72-L130 HydrophobicContact CG1-CD1 4.28Å; V72-L130 HydrophobicContact CG1-CD2 3.56Å; V72-L130 HydrophobicContact CG1-CG 3.82Å
73G93.9Very high96Very high2 Ų258.5 Ų58.52%0.02131%0.312CS..THydrogen-bonded Turntrans94.7-13.9-178.200000114.8K71 L88 I89 L130 Y137K71-G73 PolarHBondContact O-N 3.24Å; G73-L88 VanDerWaalsContact O-CD1 3.26Å; G73-L88 WeakPolarHBondContact O-CD1 3.39Å; G73-I89 PolarHBondContact N-O 3.25Å; G73-L130 VanDerWaalsContact CA-CD2 3.44Å; G73-Y137 PolarHBondContact O-OH 3.1Å
74D95.3Very high95.9Very high47 Ų4766.4 Ų66.425%0.25135%0.347SS..  trans-79.8147.5178.2-67.4-31.9000112.3T65 K71 I89T65-D74 HydrophobicContact CG2-CB 4.19Å; T65-D74 WeakPolarHBondContact CG2-OD2 3.41Å; K71-D74 PolarHBondContact N-OD2 3.49Å; K71-D74 WeakPolarHBondContact O-CB 3.5Å; K71-D74 PolarHBondContact O-N 2.83Å; D74-I89 HydrophobicContact CB-CD1 4.32Å; D74-I89 PolarHBondContact O-N 3.42Å
75K96.1Very high96Very high77 Ų7763.7 Ų63.734%0.33534%0.337SS..EExtended strand (participates in β ladder)trans-82.9141.7172.1-58.3179.6-171.51740109.9Y64 A87 I111 Y137Y64-K75 HydrophobicContact CD2-CB 3.7Å; Y64-K75 WeakPolarHBondContact CD2-O 3.31Å; Y64-K75 HydrophobicContact CE2-CB 4.48Å; Y64-K75 HydrophobicContact CG-CB 4.34Å; Y64-K75 PolarHBondContact N-O 3Å; Y64-K75 VanDerWaalsContact N-O 3.11Å; K75-A87 CarbonylContact C-O 3.58Å; K75-A87 WeakPolarHBondContact CA-O 3.29Å; K75-I111 HydrophobicContact CD-CD1 4.33Å; K75-I111 HydrophobicContact CG-CD1 4.18Å; K75-Y137 WeakPolarHBondContact CE-OH 2.84Å; K75-Y137 WeakPolarHBondContact CG-OH 3.35Å
76V97.8Very high96Very high0 Ų064.3 Ų64.30%034%0.337CS..EExtended strand (participates in β ladder)trans-134.1152.5172.1-63.90000111.2V60 H62 V63 K86 A87 I89V60-V76 HydrophobicContact CG1-CB 4.1Å; V60-V76 HydrophobicContact CG1-CG1 4.31Å; V60-V76 HydrophobicContact CG2-CG2 4.37Å; H62-V76 CarbonylContact O-C 3.58Å; H62-V76 WeakPolarHBondContact O-CA 3.27Å; V63-V76 HydrophobicContact CB-CG1 4.37Å; V63-V76 HydrophobicContact CG1-CG1 4.12Å; V63-V76 HydrophobicContact CG2-CG1 4.1Å; V76-K86 CarbonylContact O-C 3.59Å; V76-K86 WeakPolarHBondContact O-CA 3.42Å; V76-A87 HydrophobicContact CG2-CB 3.98Å; V76-A87 PolarHBondContact N-O 2.91Å; V76-A87 PolarHBondContact O-N 2.85Å; V76-I89 HydrophobicContact CG1-CD1 3.62Å; V76-I89 HydrophobicContact CG1-CG1 3.96Å; V76-I89 HydrophobicContact CG2-CG1 4.23Å
77L98.1Very high96.1Very high34 Ų3454 Ų5418%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-95.9125.1170.1-170.666000109.3I61 H62 Y64 K84 K86I61-L77 PolarHBondContact N-O 3.12Å; H62-L77 HydrophobicContact CB-CB 3.91Å; H62-L77 HydrophobicContact CB-CD2 4.44Å; H62-L77 PolarHBondContact N-O 2.6Å; H62-L77 PolarHBondContact O-N 2.91Å; Y64-L77 HydrophobicContact CE2-CB 4.28Å; L77-K84 HydrophobicContact CD1-CB 4.33Å; L77-K86 HydrophobicContact CD1-CG 4.17Å
78L98Very high96.3Very high0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-111.7138.1-174.9-163.571.6000111.2V41 V43 P58 R59 V60 I80 K84 K85 A87 V108 L110V41-L78 HydrophobicContact CG2-CD1 3.31Å; V41-L78 HydrophobicContact CG2-CD2 4.28Å; V41-L78 HydrophobicContact CG2-CG 4.43Å; V43-L78 HydrophobicContact CG2-CD2 3.97Å; P58-L78 HydrophobicContact CB-CD1 4.2Å; P58-L78 HydrophobicContact CB-CD2 3.86Å; P58-L78 HydrophobicContact CB-CG 4.07Å; R59-L78 VanDerWaalsContact C-CD1 3.46Å; R59-L78 WeakPolarHBondContact O-CD1 3.48Å; V60-L78 HydrophobicContact CG2-CD1 4.12Å; L78-I80 HydrophobicContact CD2-CB 4.35Å; L78-K84 WeakPolarHBondContact O-CA 3.48Å; L78-K85 WeakPolarHBondContact CA-O 3.39Å; L78-K85 WeakPolarHBondContact CB-O 3.4Å; L78-K85 PolarHBondContact N-O 3.07Å; L78-K85 PolarHBondContact O-N 2.79Å; L78-A87 HydrophobicContact CB-CB 4.49Å; L78-V108 HydrophobicContact CD2-CG2 4.38Å; L78-L110 HydrophobicContact CD2-CD2 3.74Å
79A97.9Very high96.4Very high34 Ų3445.8 Ų45.828%0.28124%0.241SC..EExtended strand (participates in β ladder)trans-91.1114.5162.800000108.8P58 R59 I61 Q83P58-A79 VanDerWaalsContact CA-O 3.23Å; P58-A79 WeakPolarHBondContact CA-O 3.25Å; R59-A79 PolarHBondContact N-O 3.17Å; R59-A79 PolarHBondContact O-N 3.3Å; I61-A79 HydrophobicContact CD1-CB 3.45Å; I61-A79 VanDerWaalsContact CD1-CB 3.45Å; I61-A79 HydrophobicContact CG1-CB 3.88Å; A79-Q83 CarbonylContact C-O 3.58Å; A79-Q83 WeakPolarHBondContact CA-O 3.19Å
80I96.8Very high96.4Very high9 Ų942.3 Ų42.35%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-135.6129.3176.6-172.3160.9000110V43 L49 P58 L78 G82 Q83 K85V43-I80 HydrophobicContact CG2-CD1 3.83Å; L49-I80 WeakPolarHBondContact O-CD1 3.19Å; P58-I80 HydrophobicContact CB-CB 4.17Å; P58-I80 HydrophobicContact CB-CD1 4.16Å; P58-I80 HydrophobicContact CB-CG1 4.18Å; P58-I80 HydrophobicContact CG-CD1 4.48Å; L78-I80 HydrophobicContact CD2-CB 4.35Å; I80-G82 PolarHBondContact O-N 2.82Å; I80-G82 VanDerWaalsContact O-N 3.1Å; I80-Q83 PolarHBondContact N-O 2.89Å; I80-Q83 WeakPolarHBondContact O-CA 3.49Å; I80-Q83 WeakPolarHBondContact O-CB 3.26Å; I80-Q83 PolarHBondContact O-N 3.03Å; I80-K85 HydrophobicContact CG2-CB 4.41Å
81K95.3Very high96.4Very high68 Ų6842.2 Ų42.230%0.29622%0.222SC..THydrogen-bonded Turntrans48.238-177.6-55.4-177.991.9-164.60114.1L49 T52 H54 Q83L49-K81 HydrophobicContact CD2-CD 4.49Å; T52-K81 PolarHBondContact OG1-NZ 2.82Å; H54-K81 HydrophobicContact CB-CG 4.09Å; K81-Q83 PolarHBondContact O-N 3.24Å
82G93.9Very high96.4Very high80 Ų8037.6 Ų37.683%0.82520%0.202SC*.THydrogen-bonded Turntrans76.52.5-177.800000115.3I80I80-G82 PolarHBondContact O-N 2.82Å; I80-G82 VanDerWaalsContact O-N 3.1Å
83Q95.9Very high96.4Very high107 Ų10740.6 Ų40.650%0.521%0.212SC..EExtended strand (participates in β ladder)trans-107.3154178.3-58.2-179.21000111.4A79 I80 K81A79-Q83 CarbonylContact C-O 3.58Å; A79-Q83 WeakPolarHBondContact CA-O 3.19Å; I80-Q83 PolarHBondContact N-O 2.89Å; I80-Q83 WeakPolarHBondContact O-CA 3.49Å; I80-Q83 WeakPolarHBondContact O-CB 3.26Å; I80-Q83 PolarHBondContact O-N 3.03Å; K81-Q83 PolarHBondContact O-N 3.24Å
84K97Very high96.4Very high171 Ų17143.8 Ų43.874%0.74323%0.228SC*.EExtended strand (participates in β ladder)trans-93.3125.8169.964.5-176.4-178.3179.40109.4L77 L78L77-K84 HydrophobicContact CD1-CB 4.33Å; L78-K84 WeakPolarHBondContact O-CA 3.48Å
85K97.3Very high96.2Very high49 Ų4945.3 Ų45.321%0.21324%0.24CC..EExtended strand (participates in β ladder)trans-138.7144.3173.9-163.771.1177.1-175.50109.4L78 I80 L110 I111 E112 T118L78-K85 WeakPolarHBondContact CA-O 3.39Å; L78-K85 WeakPolarHBondContact CB-O 3.4Å; L78-K85 PolarHBondContact N-O 3.07Å; L78-K85 PolarHBondContact O-N 2.79Å; I80-K85 HydrophobicContact CG2-CB 4.41Å; K85-L110 HydrophobicContact CG-CB 4.49Å; K85-I111 WeakPolarHBondContact CE-O 3.44Å; K85-E112 IonicContact NZ-OE1 2.67Å; K85-E112 PolarHBondContact NZ-OE1 3.06Å; K85-T118 WeakPolarHBondContact CE-OG1 3.39Å
86K97.6Very high96Very high50 Ų5043.7 Ų43.722%0.21725%0.245CC..EExtended strand (participates in β ladder)trans-74.6152.2172.4-72178.9177.8159.30109.6Y64 V76 L77 I111 D113Y64-K86 HydrophobicContact CE2-CG 4.39Å; Y64-K86 WeakPolarHBondContact OH-CE 3.37Å; V76-K86 CarbonylContact O-C 3.59Å; V76-K86 WeakPolarHBondContact O-CA 3.42Å; L77-K86 HydrophobicContact CD1-CG 4.17Å; K86-I111 CarbonylContact C-O 3.46Å; K86-I111 HydrophobicContact CB-CD1 4.27Å; K86-I111 HydrophobicContact CB-CG1 3.68Å; K86-I111 PolarHBondContact O-N 3.4Å; K86-D113 WeakPolarHBondContact CD-OD1 2.99Å; K86-D113 WeakPolarHBondContact CE-OD1 3.2Å; K86-D113 IonicContact NZ-OD1 3.4Å; K86-D113 PolarHBondContact NZ-OD1 3.24Å
87A97.6Very high95.6Very high0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-144.1152.2175.900000110.5K75 V76 L78 V108 V109 L110K75-A87 CarbonylContact C-O 3.58Å; K75-A87 WeakPolarHBondContact CA-O 3.29Å; V76-A87 HydrophobicContact CG2-CB 3.98Å; V76-A87 PolarHBondContact N-O 2.91Å; V76-A87 PolarHBondContact O-N 2.85Å; L78-A87 HydrophobicContact CB-CB 4.49Å; A87-V108 HydrophobicContact CB-CB 4.16Å; A87-V108 HydrophobicContact CB-CG2 4.39Å; A87-V109 CarbonylContact C-O 3.6Å; A87-V109 WeakPolarHBondContact CA-O 3.45Å; A87-V109 WeakPolarHBondContact CB-O 3.45Å; A87-L110 HydrophobicContact CB-CD2 4.1Å
88L96.9Very high95.3Very high1 Ų159.2 Ų59.21%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-99.7133.2171.8-177.564.8000109.2G73 V90 V108 V109 I111 Y137 V140G73-L88 VanDerWaalsContact O-CD1 3.26Å; G73-L88 WeakPolarHBondContact O-CD1 3.39Å; L88-V90 PolarHBondContact O-N 3.37Å; L88-V108 CarbonylContact O-C 3.47Å; L88-V108 VanDerWaalsContact O-CA 3.26Å; L88-V108 WeakPolarHBondContact O-CA 3.43Å; L88-V109 PolarHBondContact N-O 3.21Å; L88-V109 PolarHBondContact O-N 3.41Å; L88-I111 HydrophobicContact CB-CG2 4.11Å; L88-Y137 HydrophobicContact CD1-CD1 4.4Å; L88-Y137 HydrophobicContact CD1-CD2 4.42Å; L88-Y137 HydrophobicContact CD1-CE1 3.82Å; L88-Y137 HydrophobicContact CD1-CE2 3.83Å; L88-Y137 VanDerWaalsContact CD1-CZ 3.47Å; L88-Y137 WeakPolarHBondContact CD1-OH 3.36Å; L88-Y137 HydrophobicContact CD2-CD1 3.94Å; L88-Y137 HydrophobicContact CD2-CD2 4.27Å; L88-Y137 HydrophobicContact CD2-CE1 4.18Å; L88-Y137 HydrophobicContact CD2-CE2 4.48Å; L88-Y137 HydrophobicContact CD2-CG 3.97Å; L88-V140 HydrophobicContact CD2-CG1 4.26Å
89I96.9Very high95.1Very high0 Ų068.8 Ų68.80%036%0.357CS..EExtended strand (participates in β ladder)trans-77.2119171.8-61.1171.2000108.8I35 K71 G73 D74 V76 V108I35-I89 HydrophobicContact CB-CD1 4.07Å; I35-I89 HydrophobicContact CD1-CB 4.45Å; I35-I89 HydrophobicContact CD1-CD1 3.89Å; I35-I89 HydrophobicContact CD1-CG1 4.01Å; I35-I89 HydrophobicContact CD1-CG2 3.58Å; I35-I89 HydrophobicContact CG2-CD1 3.8Å; I35-I89 HydrophobicContact CG2-CG1 4.49Å; K71-I89 WeakPolarHBondContact O-CB 3.46Å; K71-I89 WeakPolarHBondContact O-CD1 3.35Å; K71-I89 WeakPolarHBondContact O-CG2 3.34Å; G73-I89 PolarHBondContact N-O 3.25Å; D74-I89 HydrophobicContact CB-CD1 4.32Å; D74-I89 PolarHBondContact O-N 3.42Å; V76-I89 HydrophobicContact CG1-CD1 3.62Å; V76-I89 HydrophobicContact CG1-CG1 3.96Å; V76-I89 HydrophobicContact CG2-CG1 4.23Å; I89-V108 HydrophobicContact CG1-CG1 4.34Å
90V96.1Very high94.8Very high3 Ų369.9 Ų69.92%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-105.2-19.1176.9-63.50000112.9V44 L88 N107 V109 I126 P127 L130V44-V90 HydrophobicContact CG2-CG2 3.91Å; L88-V90 PolarHBondContact O-N 3.37Å; V90-N107 HydrophobicContact CG2-CB 3.68Å; V90-N107 WeakPolarHBondContact CG2-O 3.18Å; V90-N107 PolarHBondContact N-O 2.95Å; V90-V109 HydrophobicContact CG1-CB 4.29Å; V90-V109 HydrophobicContact CG1-CG2 3.66Å; V90-V109 HydrophobicContact CG2-CG2 4.14Å; V90-I126 HydrophobicContact CB-CG1 4.39Å; V90-I126 HydrophobicContact CG1-CD1 4.38Å; V90-P127 WeakPolarHBondContact O-CD 3.26Å; V90-P127 WeakPolarHBondContact O-CG 3.23Å; V90-L130 HydrophobicContact CB-CD1 4.37Å; V90-L130 HydrophobicContact CG1-CD1 4.07Å
91G95.7Very high94.7Very high0 Ų071.2 Ų71.20%037%0.37CS..EExtended strand (participates in β ladder)trans-163.6148.4176.900000111.9N106 N107G91-N106 CarbonylContact O-C 3.56Å; G91-N106 WeakPolarHBondContact O-CA 3.39Å; G91-N107 PolarHBondContact N-O 3.44Å; G91-N107 PolarHBondContact O-N 3.48Å
92H95.4Very high94.7Very high19 Ų1975.3 Ų75.39%0.08838%0.383CS..  trans-141.3160.117859.657.9000112.3I35 V72 M94 F103 N106I35-H92 HydrophobicContact CD1-CB 3.83Å; I35-H92 HydrophobicContact CG1-CB 4.21Å; V72-H92 PolarHBondContact N-CD2 3.11Å; H92-M94 PolarHBondContact CE1-O 3.47Å; H92-M94 PolarHBondContact ND1-O 2.8Å; H92-F103 PolarHBondContact O-N 2.76Å; H92-N106 WeakPolarHBondContact CA-OD1 3.16Å
93K94.6Very high94.8Very high102 Ų10272.8 Ų72.844%0.44335%0.35SS..SBendtrans-79.1-22.5-179.8-166.2176.4-177176.20114.4P33 R102 F103 N106P33-K93 HydrophobicContact CB-CB 4.44Å; K93-R102 PolarHBondContact O-NE 3Å; K93-R102 PolarHBondContact O-NH2 2.87Å; K93-F103 VanDerWaalsContact CA-O 3.27Å; K93-F103 WeakPolarHBondContact CA-O 3.47Å; K93-N106 PolarHBondContact N-OD1 2.91Å
94M93.4Very high94.7Very high69 Ų6974.8 Ų74.834%0.3436%0.364SS..SBendtrans-59.7134.2176.6-179176.2173.100110.1P33 A34 H92 G96P33-M94 HydrophobicContact CB-CB 4.34Å; P33-M94 HydrophobicContact CG-CB 4.47Å; P33-M94 PolarHBondContact O-N 3.14Å; A34-M94 HydrophobicContact CB-SD 3.96Å; H92-M94 PolarHBondContact CE1-O 3.47Å; H92-M94 PolarHBondContact ND1-O 2.8Å; M94-G96 PolarHBondContact O-N 3.24Å
95P92.7Very high94.6Very high79 Ų7968.4 Ų68.451%0.51334%0.341SS..  trans-62.1125.6170.926.9-33.3000109.2
96G90.3Very high94.5Very high42 Ų4267.2 Ų67.243%0.43334%0.337SS..  trans-92.1-160.717700000112.5M94M94-G96 PolarHBondContact O-N 3.24Å
97D90.2Very high94.4Very high121 Ų12165.1 Ų65.165%0.64733%0.328SS*.SBendtrans-67.7163.8175.4-59.8-46.4000111.4T100D97-T100 HydrophobicContact CB-CG2 4.24Å; D97-T100 PolarHBondContact N-OG1 3.11Å; D97-T100 PolarHBondContact O-N 3.34Å; D97-T100 PolarHBondContact O-OG1 3.33Å
98R92.6Very high94.4Very high239 Ų23965.1 Ų65.190%0.90233%0.328SS*.THydrogen-bonded Turntrans-58.4144.7175.7-65.6-174.7-178.2-160.40.9109.9T100R98-T100 PolarHBondContact O-N 2.91Å
99M92.5Very high94.5Very high201 Ų20165.1 Ų65.199%0.9933%0.328SS*.THydrogen-bonded Turntrans64.419-176.5-52.4-62.2-167.600115
100T92.7Very high94.5Very high58 Ų5865.1 Ų65.136%0.35633%0.328SS..  trans-106139.9169.166.30000110.9D97 R98D97-T100 HydrophobicContact CB-CG2 4.24Å; D97-T100 PolarHBondContact N-OG1 3.11Å; D97-T100 PolarHBondContact O-N 3.34Å; D97-T100 PolarHBondContact O-OG1 3.33Å; R98-T100 PolarHBondContact O-N 2.91Å
101P95.1Very high94.5Very high37 Ų3765 Ų6524%0.2433%0.327CS..  trans-71.3140.617929.5-34.8000110.7F103 P127 V148P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 4.47Å; P101-F103 HydrophobicContact CG-CE2 4.1Å; P101-F103 HydrophobicContact CG-CZ 4.37Å; P101-P127 HydrophobicContact CG-CB 3.65Å; P101-V148 HydrophobicContact CB-CG1 3.98Å; P101-V148 HydrophobicContact CG-CG1 4.48Å
102R94.9Very high94.5Very high153 Ų15368.5 Ų68.558%0.57734%0.344SS*.  trans-104.6129.5172.9-177.5-179.9180-169.5-3.5109.3K93K93-R102 PolarHBondContact O-NE 3Å; K93-R102 PolarHBondContact O-NH2 2.87Å
103F95.1Very high94.3Very high27 Ų2773.4 Ų73.412%0.11837%0.371CS..  trans-102.1151.5178.1-64.6-87.3000111H92 K93 P101 S105 P125 P127H92-F103 PolarHBondContact O-N 2.76Å; K93-F103 VanDerWaalsContact CA-O 3.27Å; K93-F103 WeakPolarHBondContact CA-O 3.47Å; P101-F103 HydrophobicContact CB-CE2 4.31Å; P101-F103 HydrophobicContact CB-CZ 4.47Å; P101-F103 HydrophobicContact CG-CE2 4.1Å; P101-F103 HydrophobicContact CG-CZ 4.37Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-P125 HydrophobicContact CE1-CG 4.34Å; F103-P127 HydrophobicContact CE2-CG 4.35Å
104D93.9Very high94Very high149 Ų14974.9 Ų74.980%0.79738%0.383SS*.SBendtrans-75.3-27.6175.5-65.6-42000112.8
105S94.2Very high93.8Very high37 Ų3772.2 Ų72.226%0.25937%0.373SS..SBendtrans-115.2147-179.759.70000112.7F103 N107F103-S105 VanDerWaalsContact C-N 3.34Å; S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-ND2 2.81Å; S105-N107 PolarHBondContact OG-OD1 2.94Å
106N95.7Very high93.8Very high25 Ų2570.7 Ų70.713%0.13436%0.361CS..  trans-77.1104.7171.1-64.3-33000109.1I35 V41 R42 G91 H92 K93I35-N106 HydrophobicContact CD1-CB 3.99Å; I35-N106 HydrophobicContact CG1-CB 4.13Å; V41-N106 HydrophobicContact CG1-CB 4.16Å; R42-N106 PolarHBondContact N-O 3.19Å; G91-N106 CarbonylContact O-C 3.56Å; G91-N106 WeakPolarHBondContact O-CA 3.39Å; H92-N106 WeakPolarHBondContact CA-OD1 3.16Å; K93-N106 PolarHBondContact N-OD1 2.91Å
107N96.6Very high94.1Very high5 Ų569.8 Ų69.83%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-103.2132-172.1-63.4-31.6000110.2R42 V44 V90 G91 S105R42-N107 WeakPolarHBondContact O-CA 3.34Å; V44-N107 HydrophobicContact CG1-CB 3.82Å; V44-N107 HydrophobicContact CG2-CB 4.32Å; V90-N107 HydrophobicContact CG2-CB 3.68Å; V90-N107 WeakPolarHBondContact CG2-O 3.18Å; V90-N107 PolarHBondContact N-O 2.95Å; G91-N107 PolarHBondContact N-O 3.44Å; G91-N107 PolarHBondContact O-N 3.48Å; S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-ND2 2.81Å; S105-N107 PolarHBondContact OG-OD1 2.94Å
108V97.5Very high94.4Very high0 Ų066.1 Ų66.10%033%0.33CS..EExtended strand (participates in β ladder)trans-134148.3178.4-59.10000111.7V41 R42 V43 V44 L78 A87 L88 I89V41-V108 HydrophobicContact CB-CG1 4Å; V41-V108 HydrophobicContact CB-CG2 4.02Å; V41-V108 HydrophobicContact CG1-CG1 4.11Å; V41-V108 HydrophobicContact CG2-CG1 4.24Å; V41-V108 HydrophobicContact CG2-CG2 3.64Å; R42-V108 PolarHBondContact O-N 2.79Å; V43-V108 WeakPolarHBondContact CA-O 3.49Å; V43-V108 HydrophobicContact CG2-CG2 4.04Å; V44-V108 WeakPolarHBondContact CG2-O 3.26Å; V44-V108 PolarHBondContact N-O 2.92Å; L78-V108 HydrophobicContact CD2-CG2 4.38Å; A87-V108 HydrophobicContact CB-CB 4.16Å; A87-V108 HydrophobicContact CB-CG2 4.39Å; L88-V108 CarbonylContact O-C 3.47Å; L88-V108 VanDerWaalsContact O-CA 3.26Å; L88-V108 WeakPolarHBondContact O-CA 3.43Å; I89-V108 HydrophobicContact CG1-CG1 4.34Å
109V97.5Very high94.5Very high1 Ų155 Ų551%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-112.9132.9174.2174.10000108.5V44 D45 A87 L88 V90 I122 V140V44-V109 HydrophobicContact CG2-CG2 3.78Å; D45-V109 HydrophobicContact CB-CG1 4.37Å; A87-V109 CarbonylContact C-O 3.6Å; A87-V109 WeakPolarHBondContact CA-O 3.45Å; A87-V109 WeakPolarHBondContact CB-O 3.45Å; L88-V109 PolarHBondContact N-O 3.21Å; L88-V109 PolarHBondContact O-N 3.41Å; V90-V109 HydrophobicContact CG1-CB 4.29Å; V90-V109 HydrophobicContact CG1-CG2 3.66Å; V90-V109 HydrophobicContact CG2-CG2 4.14Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG1-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CD1 4Å; V109-I122 HydrophobicContact CG2-CG1 4.12Å; V109-I122 HydrophobicContact CG2-CG2 4.39Å; V109-V140 HydrophobicContact CG1-CG1 4.26Å
110L97.5Very high94.7Very high0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-74.2134.3179.3-58.7-178.8000110.5V43 D45 L49 L78 K85 A87 T118V43-L110 HydrophobicContact CG1-CD1 4.16Å; V43-L110 HydrophobicContact CG1-CD2 4.41Å; V43-L110 HydrophobicContact CG1-CG 3.86Å; V43-L110 HydrophobicContact CG2-CD2 4.21Å; D45-L110 VanDerWaalsContact OD2-CB 3.23Å; D45-L110 WeakPolarHBondContact OD2-CB 3.4Å; D45-L110 WeakPolarHBondContact OD2-CG 3.45Å; D45-L110 PolarHBondContact OD2-N 3.23Å; L49-L110 HydrophobicContact CB-CD1 4.07Å; L78-L110 HydrophobicContact CD2-CD2 3.74Å; K85-L110 HydrophobicContact CG-CB 4.49Å; A87-L110 HydrophobicContact CB-CD2 4.1Å; L110-T118 PolarHBondContact O-N 3.15Å
111I96.4Very high94.8Very high1 Ų154.6 Ų54.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-126.4154.5177.565.2174.9000110.1K75 K85 K86 L88 N116 Y137 V140K75-I111 HydrophobicContact CD-CD1 4.33Å; K75-I111 HydrophobicContact CG-CD1 4.18Å; K85-I111 WeakPolarHBondContact CE-O 3.44Å; K86-I111 CarbonylContact C-O 3.46Å; K86-I111 HydrophobicContact CB-CD1 4.27Å; K86-I111 HydrophobicContact CB-CG1 3.68Å; K86-I111 PolarHBondContact O-N 3.4Å; L88-I111 HydrophobicContact CB-CG2 4.11Å; I111-N116 CarbonylContact C-O 3.54Å; I111-N116 WeakPolarHBondContact CA-O 3.37Å; I111-Y137 HydrophobicContact CD1-CE1 4.47Å; I111-V140 HydrophobicContact CG2-CG2 4.4Å
112E94.8Very high94.9Very high74 Ų7453 Ų5335%0.34627%0.273SS..  trans-85.7173.2170.9-52.1-156.7132.500111.2K85 N114 G115 N116K85-E112 IonicContact NZ-OE1 2.67Å; K85-E112 PolarHBondContact NZ-OE1 3.06Å; E112-N114 PolarHBondContact O-N 2.77Å; E112-G115 PolarHBondContact O-N 3.03Å; E112-N116 PolarHBondContact N-O 3.3Å
113D91.6Very high94.6Very high122 Ų12251.9 Ų51.965%0.65227%0.272SS*.THydrogen-bonded Turntrans-61.4-28.2176.2-66.3-49.7000112.4K86 G115K86-D113 WeakPolarHBondContact CD-OD1 2.99Å; K86-D113 WeakPolarHBondContact CE-OD1 3.2Å; K86-D113 IonicContact NZ-OD1 3.4Å; K86-D113 PolarHBondContact NZ-OD1 3.24Å; D113-G115 VanDerWaalsContact C-N 3.26Å; D113-G115 PolarHBondContact O-N 2.67Å
114N89.4Confident94.6Very high132 Ų13251.5 Ų51.571%0.70627%0.272SS*.THydrogen-bonded Turntrans-80.60.2177.8-58.8-13.9000113.6E112 N116E112-N114 PolarHBondContact O-N 2.77Å; N114-N116 VanDerWaalsContact C-N 3.25Å; N114-N116 PolarHBondContact O-N 3.03Å
115G87.8Confident94.8Very high13 Ų1346.8 Ų46.813%0.13425%0.249CC..SBendtrans80.7-3.3-177.100000115.2E112 D113E112-G115 PolarHBondContact O-N 3.03Å; D113-G115 VanDerWaalsContact C-N 3.26Å; D113-G115 PolarHBondContact O-N 2.67Å
116N94.3Very high94.8Very high47 Ų4745 Ų4525%0.25124%0.237SC..  trans-68.2140.7173.4-64.2-33.1000110.9I111 E112 N114 K139I111-N116 CarbonylContact C-O 3.54Å; I111-N116 WeakPolarHBondContact CA-O 3.37Å; E112-N116 PolarHBondContact N-O 3.3Å; N114-N116 VanDerWaalsContact C-N 3.25Å; N114-N116 PolarHBondContact O-N 3.03Å; N116-K139 WeakPolarHBondContact OD1-CD 3.47Å; N116-K139 WeakPolarHBondContact OD1-CE 3.36Å; N116-K139 PolarHBondContact OD1-NZ 3.32Å
117P96.6Very high94.8Very high24 Ų2443.9 Ų43.916%0.15623%0.231CC..BIsolated β-bridgetrans-67.1140.3171.326-30000110.5K139 V140 I143P117-K139 HydrophobicContact CG-CB 4.26Å; P117-V140 HydrophobicContact CB-CG2 4.15Å; P117-V140 HydrophobicContact CG-CG2 4.31Å; P117-I143 HydrophobicContact CB-CD1 4.34Å; P117-I143 HydrophobicContact CG-CD1 3.55Å
118T95.9Very high94.7Very high43 Ų4347 Ų4726%0.26425%0.25SS..SBendtrans-78.1-29.8174.3-56.50000111.8K85 L110K85-T118 WeakPolarHBondContact CE-OG1 3.39Å; L110-T118 PolarHBondContact O-N 3.15Å
119G94.8Very high94.4Very high7 Ų749 Ų497%0.07227%0.265CS..SBendtrans-92.3159.3174.900000113N46N46-G119 WeakPolarHBondContact OD1-CA 3.37Å
120T95.9Very high94.2Very high112 Ų11249.4 Ų49.469%0.68727%0.266SS*.SBendtrans-96.7-16.3178.4-40.10000113.3N46 I143N46-T120 PolarHBondContact OD1-N 2.64Å; T120-I143 WeakPolarHBondContact O-CG2 3.04Å
121R95.1Very high93.9Very high138 Ų13854.2 Ų54.252%0.52129%0.285SS..  trans-145.6136.5-180-159.3175.4-155.9-120.7-1.5111.7N46 I143 N145N46-R121 HydrophobicContact CB-CB 4.41Å; N46-R121 PolarHBondContact N-O 2.95Å; N46-R121 PolarHBondContact OD1-N 3.37Å; N46-R121 PolarHBondContact OD1-O 3.34Å; R121-I143 VanDerWaalsContact CA-CG2 3.43Å; R121-N145 PolarHBondContact NE-ND2 3.21Å; R121-N145 VanDerWaalsContact NE-ND2 3.15Å; R121-N145 VanDerWaalsContact NH2-CG 3.3Å; R121-N145 PolarHBondContact NH2-ND2 2.77Å; R121-N145 PolarHBondContact NH2-OD1 3.02Å
122I96.4Very high93.5Very high4 Ų462.6 Ų62.62%0.02132%0.324CS..BIsolated β-bridgetrans-100.7127.1172.9-59.4163.5000108.9V44 V109 V124 I126 V140 I143 A144 N145V44-I122 HydrophobicContact CG2-CG2 4.26Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG1-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CD1 4Å; V109-I122 HydrophobicContact CG2-CG1 4.12Å; V109-I122 HydrophobicContact CG2-CG2 4.39Å; I122-V124 HydrophobicContact CG2-CG2 4.17Å; I122-I126 HydrophobicContact CB-CD1 4.27Å; I122-I126 HydrophobicContact CD1-CD1 3.46Å; I122-I126 VanDerWaalsContact CD1-CD1 3.46Å; I122-I126 HydrophobicContact CG1-CD1 4.39Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.25Å; I122-V140 HydrophobicContact CD1-CG1 3.86Å; I122-I143 HydrophobicContact CD1-CG2 4.38Å; I122-I143 HydrophobicContact CG1-CG2 4.13Å; I122-A144 HydrophobicContact CD1-CB 4.41Å; I122-N145 PolarHBondContact O-ND2 3.25Å
123K90.7Very high92.8Very high128 Ų12862.6 Ų62.656%0.55733%0.325SS*.  trans-86.7-20.1-171-63.1177.4-178.1171.50114V44 N51V44-K123 PolarHBondContact O-N 3.45Å; V44-K123 VanDerWaalsContact O-N 3.11Å; N51-K123 PolarHBondContact OD1-NZ 3.28Å
124V95.1Very high91.8Very high20 Ų2061.5 Ų61.512%0.12132%0.316CS..SBendtrans-109.9156.4-174.1-58.10000110.6V44 I122V44-V124 HydrophobicContact CB-CB 4.41Å; V44-V124 HydrophobicContact CB-CG1 3.98Å; V44-V124 HydrophobicContact CB-CG2 3.56Å; V44-V124 HydrophobicContact CG1-CB 4.47Å; V44-V124 HydrophobicContact CG1-CG1 3.81Å; V44-V124 HydrophobicContact CG1-CG2 3.81Å; V44-V124 HydrophobicContact CG2-CG2 3.57Å; I122-V124 HydrophobicContact CG2-CG2 4.17Å
125P96.1Very high91.3Very high49 Ų4958.4 Ų58.432%0.31832%0.315SS..  trans-62.8145171.724.6-33000111.7F103 T146 V148F103-P125 HydrophobicContact CE1-CG 4.34Å; P125-T146 WeakPolarHBondContact CA-O 3.19Å; P125-T146 HydrophobicContact CB-CG2 4.1Å; P125-V148 HydrophobicContact CB-CG2 3.66Å; P125-V148 HydrophobicContact CG-CG2 4.34Å
126I95.6Very high91Very high0 Ų063 Ų630%034%0.337CS..BIsolated β-bridgetrans-112.4139.9179-75.9176.7000110V90 I122 L130 A144 T146 F147 V148V90-I126 HydrophobicContact CB-CG1 4.39Å; V90-I126 HydrophobicContact CG1-CD1 4.38Å; I122-I126 HydrophobicContact CB-CD1 4.27Å; I122-I126 HydrophobicContact CD1-CD1 3.46Å; I122-I126 VanDerWaalsContact CD1-CD1 3.46Å; I122-I126 HydrophobicContact CG1-CD1 4.39Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.25Å; I126-L130 HydrophobicContact CG2-CB 4.46Å; I126-L130 HydrophobicContact CG2-CD1 3.63Å; I126-L130 HydrophobicContact CG2-CG 4.43Å; I126-A144 HydrophobicContact CB-CB 4.49Å; I126-A144 HydrophobicContact CD1-CB 3.61Å; I126-A144 HydrophobicContact CG1-CB 4.43Å; I126-T146 PolarHBondContact N-O 3.31Å; I126-F147 HydrophobicContact CB-CD1 4.4Å; I126-F147 HydrophobicContact CB-CE1 4.43Å; I126-F147 HydrophobicContact CG2-CD1 4.34Å; I126-F147 HydrophobicContact CG2-CE1 4.2Å; I126-F147 CarbonylContact O-C 3.59Å; I126-F147 WeakPolarHBondContact O-CA 3.18Å; I126-V148 PolarHBondContact O-N 2.79Å
127P95.5Very high90.8Very high1 Ų161.3 Ų61.31%0.00633%0.327CS..  trans-64136.6175.625.4-34.2000112.4V72 V90 P101 F103 S129 L130 V148V72-P127 HydrophobicContact CG1-CG 3.67Å; V90-P127 WeakPolarHBondContact O-CD 3.26Å; V90-P127 WeakPolarHBondContact O-CG 3.23Å; P101-P127 HydrophobicContact CG-CB 3.65Å; F103-P127 HydrophobicContact CE2-CG 4.35Å; P127-S129 PolarHBondContact O-N 2.68Å; P127-L130 HydrophobicContact CG-CD1 4.31Å; P127-L130 HydrophobicContact CG-CG 4.21Å; P127-L130 PolarHBondContact O-N 3.33Å; P127-V148 CarbonylContact C-O 3.59Å; P127-V148 VanDerWaalsContact CA-O 3.26Å; P127-V148 WeakPolarHBondContact CA-O 3.36Å
128T94.4Very high90.6Very high70 Ų7063.2 Ų63.243%0.42934%0.341SS..G310 helixtrans-59.9-23.8175.148.50000113.2L130 R131 F147 V148T128-L130 PolarHBondContact O-N 3.35Å; T128-L130 VanDerWaalsContact O-N 3.15Å; T128-R131 WeakPolarHBondContact O-CB 3.01Å; T128-R131 PolarHBondContact O-N 3.19Å; T128-F147 HydrophobicContact CG2-CB 3.87Å; T128-V148 PolarHBondContact N-O 3.4Å; T128-V148 PolarHBondContact OG1-O 2.57Å
129S91.6Very high90.4Very high44 Ų4467 Ų6731%0.30835%0.354SS..G310 helixtrans-56.6-28.4175.759.30000113.5P127 R131 Q132P127-S129 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact O-N 2.85Å; S129-Q132 PolarHBondContact O-N 3.35Å
130L92.1Very high90.4Very high8 Ų866.8 Ų66.84%0.04235%0.351CS..G310 helixtrans-67.6-18.4176.6-70.5-177.4000113.7V72 G73 V90 I126 P127 T128 Q132 M133 L141V72-L130 HydrophobicContact CG1-CD1 4.28Å; V72-L130 HydrophobicContact CG1-CD2 3.56Å; V72-L130 HydrophobicContact CG1-CG 3.82Å; G73-L130 VanDerWaalsContact CA-CD2 3.44Å; V90-L130 HydrophobicContact CB-CD1 4.37Å; V90-L130 HydrophobicContact CG1-CD1 4.07Å; I126-L130 HydrophobicContact CG2-CB 4.46Å; I126-L130 HydrophobicContact CG2-CD1 3.63Å; I126-L130 HydrophobicContact CG2-CG 4.43Å; P127-L130 HydrophobicContact CG-CD1 4.31Å; P127-L130 HydrophobicContact CG-CG 4.21Å; P127-L130 PolarHBondContact O-N 3.33Å; T128-L130 PolarHBondContact O-N 3.35Å; T128-L130 VanDerWaalsContact O-N 3.15Å; L130-Q132 PolarHBondContact O-N 3.22Å; L130-M133 PolarHBondContact O-N 3.22Å; L130-M133 VanDerWaalsContact O-N 3.1Å; L130-L141 HydrophobicContact CB-CD2 3.95Å
131R91.5Very high90.3Very high101 Ų10162 Ų6238%0.38132%0.321SS..G310 helixtrans-67.6-23.7177.2-68.1-177.8169.9-84.72.8113.1T128 S129 M133 E134 L141T128-R131 WeakPolarHBondContact O-CB 3.01Å; T128-R131 PolarHBondContact O-N 3.19Å; S129-R131 PolarHBondContact O-N 2.85Å; R131-M133 PolarHBondContact O-N 3.4Å; R131-M133 VanDerWaalsContact O-N 3.13Å; R131-E134 IonicContact NH1-OE1 3.41Å; R131-E134 PolarHBondContact NH1-OE1 3.37Å; R131-E134 WeakPolarHBondContact O-CB 3.41Å; R131-E134 WeakPolarHBondContact O-CG 3.49Å; R131-E134 PolarHBondContact O-N 2.88Å; R131-L141 HydrophobicContact CG-CD2 4.45Å
132Q87.8Confident90.2Very high177 Ų17759.4 Ų59.483%0.82733%0.329SS*.G310 helixtrans-63.2-19.5173.7-60.6177.91000111.9S129 L130S129-Q132 PolarHBondContact O-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.22Å
133M79.9Confident90.2Very high74 Ų7461.1 Ų61.137%0.36534%0.338SS..G310 helixtrans-103.128.6179.7-53.3-177.477.300112.4L130 R131 G135 D136 Y137L130-M133 PolarHBondContact O-N 3.22Å; L130-M133 VanDerWaalsContact O-N 3.1Å; R131-M133 PolarHBondContact O-N 3.4Å; R131-M133 VanDerWaalsContact O-N 3.13Å; M133-G135 PolarHBondContact O-N 3.22Å; M133-D136 PolarHBondContact O-N 3.27Å; M133-Y137 HydrophobicContact CB-CD2 4.23Å; M133-Y137 HydrophobicContact CE-CE2 3.98Å; M133-Y137 HydrophobicContact SD-CE2 4.47Å
134E70.8Confident90.4Very high99 Ų9955.6 Ų55.646%0.46332%0.316SS..Hα-helixtrans-55.7-21.9-171.9-101.8172.3-16600114.7R131 S138 L141R131-E134 IonicContact NH1-OE1 3.41Å; R131-E134 PolarHBondContact NH1-OE1 3.37Å; R131-E134 WeakPolarHBondContact O-CB 3.41Å; R131-E134 WeakPolarHBondContact O-CG 3.49Å; R131-E134 PolarHBondContact O-N 2.88Å; E134-S138 WeakPolarHBondContact O-CA 3.14Å; E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 3.36Å; E134-S138 PolarHBondContact O-OG 2.98Å; E134-L141 HydrophobicContact CB-CD1 4.44Å; E134-L141 HydrophobicContact CG-CD1 3.54Å
135G79.8Confident90.2Very high68 Ų6858.6 Ų58.670%0.70133%0.332SS*.Hα-helixtrans-66.6-53.6176.600000114.1M133 S138M133-G135 PolarHBondContact O-N 3.22Å; G135-S138 PolarHBondContact O-OG 3.27Å
136D81.7Confident90.2Very high110 Ų11060.1 Ų60.159%0.58834%0.34SS*.Hα-helixtrans-78.9-24.7-171.3-72-27.7000113.4M133M133-D136 PolarHBondContact O-N 3.27Å
137Y89.1Confident90.2Very high11 Ų1162.8 Ų62.84%0.04335%0.352CS..Hα-helixtrans-130.524.8-170.1-52.2-65.5000113.7G73 K75 L88 I111 M133 K139 V140 L141G73-Y137 PolarHBondContact O-OH 3.1Å; K75-Y137 WeakPolarHBondContact CE-OH 2.84Å; K75-Y137 WeakPolarHBondContact CG-OH 3.35Å; L88-Y137 HydrophobicContact CD1-CD1 4.4Å; L88-Y137 HydrophobicContact CD1-CD2 4.42Å; L88-Y137 HydrophobicContact CD1-CE1 3.82Å; L88-Y137 HydrophobicContact CD1-CE2 3.83Å; L88-Y137 VanDerWaalsContact CD1-CZ 3.47Å; L88-Y137 WeakPolarHBondContact CD1-OH 3.36Å; L88-Y137 HydrophobicContact CD2-CD1 3.94Å; L88-Y137 HydrophobicContact CD2-CD2 4.27Å; L88-Y137 HydrophobicContact CD2-CE1 4.18Å; L88-Y137 HydrophobicContact CD2-CE2 4.48Å; L88-Y137 HydrophobicContact CD2-CG 3.97Å; I111-Y137 HydrophobicContact CD1-CE1 4.47Å; M133-Y137 HydrophobicContact CB-CD2 4.23Å; M133-Y137 HydrophobicContact CE-CE2 3.98Å; M133-Y137 HydrophobicContact SD-CE2 4.47Å; Y137-K139 PolarHBondContact O-N 3.15Å; Y137-K139 VanDerWaalsContact O-N 3.16Å; Y137-V140 HydrophobicContact CD1-CG2 4.43Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.33Å; Y137-V140 PolarHBondContact O-N 3.02Å; Y137-L141 PolarHBondContact O-N 3.13Å
138S92.1Very high90.1Very high63 Ų6367.5 Ų67.544%0.44138%0.38SS..Hα-helixtrans-53.7-41.3-178-12.40000111.9E134 G135 V140 L141 A142E134-S138 WeakPolarHBondContact O-CA 3.14Å; E134-S138 WeakPolarHBondContact O-CB 3.2Å; E134-S138 PolarHBondContact O-N 3.36Å; E134-S138 PolarHBondContact O-OG 2.98Å; G135-S138 PolarHBondContact O-OG 3.27Å; S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.44Å; S138-L141 PolarHBondContact O-N 3.32Å; S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.3Å
139K92.9Very high89.9Confident123 Ų12367.4 Ų67.454%0.53538%0.378SS..Hα-helixtrans-67.1-32178.2-66.3180-174.4175.80113.3N116 P117 Y137 I143N116-K139 WeakPolarHBondContact OD1-CD 3.47Å; N116-K139 WeakPolarHBondContact OD1-CE 3.36Å; N116-K139 PolarHBondContact OD1-NZ 3.32Å; P117-K139 HydrophobicContact CG-CB 4.26Å; Y137-K139 PolarHBondContact O-N 3.15Å; Y137-K139 VanDerWaalsContact O-N 3.16Å; K139-I143 WeakPolarHBondContact O-CG1 3.49Å
140V94.2Very high89.8Confident2 Ų268.6 Ų68.61%0.01238%0.381CS..Hα-helixtrans-70.1-44.6175.5-175.90000109.6L88 V109 I111 P117 I122 Y137 S138 I143 A144L88-V140 HydrophobicContact CD2-CG1 4.26Å; V109-V140 HydrophobicContact CG1-CG1 4.26Å; I111-V140 HydrophobicContact CG2-CG2 4.4Å; P117-V140 HydrophobicContact CB-CG2 4.15Å; P117-V140 HydrophobicContact CG-CG2 4.31Å; I122-V140 HydrophobicContact CD1-CG1 3.86Å; Y137-V140 HydrophobicContact CD1-CG2 4.43Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.33Å; Y137-V140 PolarHBondContact O-N 3.02Å; S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.44Å; V140-I143 PolarHBondContact O-N 2.92Å; V140-A144 PolarHBondContact O-N 3.16Å
141L94Very high89.7Confident11 Ų1171.9 Ų71.96%0.05840%0.4CS..Hα-helixtrans-65.4-37.2178.4-65.9172000112.3L130 R131 E134 Y137 S138 I143 A144 F147L130-L141 HydrophobicContact CB-CD2 3.95Å; R131-L141 HydrophobicContact CG-CD2 4.45Å; E134-L141 HydrophobicContact CB-CD1 4.44Å; E134-L141 HydrophobicContact CG-CD1 3.54Å; Y137-L141 PolarHBondContact O-N 3.13Å; S138-L141 PolarHBondContact O-N 3.32Å; L141-I143 PolarHBondContact O-N 3.19Å; L141-A144 WeakPolarHBondContact O-CB 3.18Å; L141-A144 PolarHBondContact O-N 2.99Å; L141-F147 HydrophobicContact CD2-CE1 4.11Å
142A93.9Very high89.5Confident85 Ų8570.2 Ų70.270%0.70240%0.401SS*.Hα-helixtrans-63.2-25.7177.200000113.5S138S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.3Å
143I95.5Very high89.7Confident40 Ų4063.6 Ų63.621%0.20538%0.375CS..Hα-helixtrans-90.5-13.6-178.6-72.3176.3000112.4P117 T120 R121 I122 K139 V140 L141P117-I143 HydrophobicContact CB-CD1 4.34Å; P117-I143 HydrophobicContact CG-CD1 3.55Å; T120-I143 WeakPolarHBondContact O-CG2 3.04Å; R121-I143 VanDerWaalsContact CA-CG2 3.43Å; I122-I143 HydrophobicContact CD1-CG2 4.38Å; I122-I143 HydrophobicContact CG1-CG2 4.13Å; K139-I143 WeakPolarHBondContact O-CG1 3.49Å; V140-I143 PolarHBondContact O-N 2.92Å; L141-I143 PolarHBondContact O-N 3.19Å
144A94.3Very high90.3Very high12 Ų1262.9 Ų62.910%0.09938%0.375CS..BIsolated β-bridgetrans-76132.2179.700000111.1I122 I126 V140 L141 F147I122-A144 HydrophobicContact CD1-CB 4.41Å; I126-A144 HydrophobicContact CB-CB 4.49Å; I126-A144 HydrophobicContact CD1-CB 3.61Å; I126-A144 HydrophobicContact CG1-CB 4.43Å; V140-A144 PolarHBondContact O-N 3.16Å; L141-A144 WeakPolarHBondContact O-CB 3.18Å; L141-A144 PolarHBondContact O-N 2.99Å; A144-F147 HydrophobicContact CB-CE1 4.16Å; A144-F147 HydrophobicContact CB-CE2 4.08Å; A144-F147 HydrophobicContact CB-CZ 3.6Å
145N92.1Very high91.7Very high82 Ų8260.3 Ų60.344%0.43937%0.369SS..  trans-91.1-33.6-179.4-60.7-76000113.3R121 I122R121-N145 PolarHBondContact NE-ND2 3.21Å; R121-N145 VanDerWaalsContact NE-ND2 3.15Å; R121-N145 VanDerWaalsContact NH2-CG 3.3Å; R121-N145 PolarHBondContact NH2-ND2 2.77Å; R121-N145 PolarHBondContact NH2-OD1 3.02Å; I122-N145 PolarHBondContact O-ND2 3.25Å
146T94.8Very high92.6Very high81 Ų8159.7 Ų59.750%0.49734%0.344SS..  trans-131.8137.1-169.7-49.30000109.7P125 I126P125-T146 WeakPolarHBondContact CA-O 3.19Å; P125-T146 HydrophobicContact CB-CG2 4.1Å; I126-T146 PolarHBondContact N-O 3.31Å
147F95.4Very high93.5Very high57 Ų5755.5 Ų55.525%0.2532%0.323CS..BIsolated β-bridgetrans-122.4146.3179.8-66.5-90.8000111I126 T128 L141 A144I126-F147 HydrophobicContact CB-CD1 4.4Å; I126-F147 HydrophobicContact CB-CE1 4.43Å; I126-F147 HydrophobicContact CG2-CD1 4.34Å; I126-F147 HydrophobicContact CG2-CE1 4.2Å; I126-F147 CarbonylContact O-C 3.59Å; I126-F147 WeakPolarHBondContact O-CA 3.18Å; T128-F147 HydrophobicContact CG2-CB 3.87Å; L141-F147 HydrophobicContact CD2-CE1 4.11Å; A144-F147 HydrophobicContact CB-CE1 4.16Å; A144-F147 HydrophobicContact CB-CE2 4.08Å; A144-F147 HydrophobicContact CB-CZ 3.6Å
148V94.1Very high93.9Very high99 Ų9959.5 Ų59.560%0.635%0.349SS*.  trans-131.10178-179.70000110.2P101 P125 I126 P127 T128P101-V148 HydrophobicContact CB-CG1 3.98Å; P101-V148 HydrophobicContact CG-CG1 4.48Å; P125-V148 HydrophobicContact CB-CG2 3.66Å; P125-V148 HydrophobicContact CG-CG2 4.34Å; I126-V148 PolarHBondContact O-N 2.79Å; P127-V148 CarbonylContact C-O 3.59Å; P127-V148 VanDerWaalsContact CA-O 3.26Å; P127-V148 WeakPolarHBondContact CA-O 3.36Å; T128-V148 PolarHBondContact N-O 3.4Å; T128-V148 PolarHBondContact OG1-O 2.57Å

Retrieved 148 of 148 residues in 24.1 ms (Link to these results)