A0A3Q0KIZ8_SCHMA Loading...

Sulfotransferase oxamniquine resistance protein

AlphaFold DB (G4VLE5), UniProt , Accession A0A3Q0KIZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.3Very low74.7Confident236 Ų23686.6 Ų86.6100%1.16347%0.468SS*.  0110.10-64.2-173-69.400105.3E3M1-E3 PolarHBondContact O-N 3Å
2I47.1Very low76.7Confident169 Ų16979.4 Ų79.487%0.86743%0.429SS*.  trans-71.1110.1173.1-60.8169.2000103.4S4I2-S4 PolarHBondContact O-N 3.14Å; I2-S4 VanDerWaalsContact O-N 3.16Å
3E47.1Very low78.4Confident178 Ų17873.3 Ų73.383%0.83240%0.396SS*.  trans-45.1126.2167.9-78.6177152.200106.5M1 S5M1-E3 PolarHBondContact O-N 3Å; E3-S5 PolarHBondContact O-N 3.12Å
4S51.4Low79.8Confident103 Ų10368.1 Ų68.172%0.7237%0.368SS*.  trans-58.3107.4177.765.50000106.2I2 T6I2-S4 PolarHBondContact O-N 3.14Å; I2-S4 VanDerWaalsContact O-N 3.16Å; S4-T6 PolarHBondContact O-N 3.08Å
5S68.3Low81.1Confident78 Ų7863.5 Ų63.555%0.54534%0.343SS..PPolyproline II helixtrans-53.9132.7173.257.60000106.3E3 T7E3-S5 PolarHBondContact O-N 3.12Å; S5-T7 PolarHBondContact O-N 3.39Å
6T81.9Confident82.2Confident25 Ų2559.8 Ų59.815%0.15332%0.323CS..PPolyproline II helixtrans-61.3118.6178.9-64.80000107.1S4 K33 G85 Y86 I87S4-T6 PolarHBondContact O-N 3.08Å; T6-K33 HydrophobicContact CG2-CB 4.49Å; T6-K33 HydrophobicContact CG2-CD 3.63Å; T6-K33 PolarHBondContact OG1-NZ 3.05Å; T6-G85 WeakPolarHBondContact CB-O 3.42Å; T6-Y86 VanDerWaalsContact CG2-C 3.43Å; T6-Y86 WeakPolarHBondContact CG2-O 3.47Å; T6-I87 HydrophobicContact CG2-CB 3.84Å; T6-I87 HydrophobicContact CG2-CD1 3.94Å; T6-I87 HydrophobicContact CG2-CG1 4.47Å
7T92.1Very high83.1Confident68 Ų6857.4 Ų57.442%0.41731%0.309SS..PPolyproline II helixtrans-99.2147.3177-176.90000109.7S5 Q9 Y86 I87 Y105S5-T7 PolarHBondContact O-N 3.39Å; T7-Q9 PolarHBondContact O-N 2.9Å; T7-Y86 CarbonylContact C-O 3.54Å; T7-I87 WeakPolarHBondContact O-CD1 3.5Å; T7-Y105 WeakPolarHBondContact OG1-CD1 3.4Å; T7-Y105 VanDerWaalsContact OG1-CE1 3.31Å; T7-Y105 WeakPolarHBondContact OG1-CE1 3.44Å
8I98.3Very high84Confident6 Ų654.3 Ų54.33%0.03129%0.292CS..PPolyproline II helixtrans-59.9125.3175.8-60.7-67.2000110.2I11 L83 Y86 I87 T89 Y105 A108I8-I11 HydrophobicContact CG2-CG1 3.79Å; I8-L83 HydrophobicContact CD1-CB 4.45Å; I8-L83 HydrophobicContact CG1-CB 4.48Å; I8-Y86 VanDerWaalsContact CD1-O 3.29Å; I8-Y86 WeakPolarHBondContact CD1-O 3.28Å; I8-Y86 PolarHBondContact N-O 3.46Å; I8-I87 WeakPolarHBondContact CA-O 3.21Å; I8-T89 HydrophobicContact CD1-CG2 3.71Å; I8-T89 HydrophobicContact CG1-CG2 4.48Å; I8-Y105 HydrophobicContact CB-CD1 4.12Å; I8-Y105 HydrophobicContact CB-CD2 3.71Å; I8-Y105 HydrophobicContact CB-CE1 4.14Å; I8-Y105 HydrophobicContact CB-CE2 3.73Å; I8-Y105 HydrophobicContact CB-CG 3.9Å; I8-Y105 HydrophobicContact CG1-CD2 4.16Å; I8-Y105 HydrophobicContact CG1-CE1 4.4Å; I8-Y105 HydrophobicContact CG1-CE2 3.66Å; I8-Y105 HydrophobicContact CG2-CD2 4.09Å; I8-Y105 HydrophobicContact CG2-CE2 4.44Å; I8-Y105 HydrophobicContact CG2-CG 4.41Å; I8-A108 HydrophobicContact CG2-CB 4.5Å
9Q98.3Very high84.7Confident90 Ų9052.3 Ų52.342%0.42129%0.286SS..  trans-111.8-21.5172.9-68.3-174.91800112.4T7 I87 A108 K109T7-Q9 PolarHBondContact O-N 2.9Å; Q9-I87 HydrophobicContact CB-CD1 4Å; Q9-I87 HydrophobicContact CB-CG1 4.43Å; Q9-I87 HydrophobicContact CG-CD1 3.63Å; Q9-I87 PolarHBondContact N-O 2.98Å; Q9-A108 CarbonylContact O-C 3.39Å; Q9-A108 WeakPolarHBondContact O-CA 3.48Å; Q9-A108 WeakPolarHBondContact O-CB 3.32Å; Q9-K109 PolarHBondContact O-N 3.43Å
10V98.9Very high85.4Confident0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-131.6124.2179.7-177.50000110.7L27 Y31 I87 A88 T89 K109 L111 L214V10-L27 HydrophobicContact CB-CD1 4.41Å; V10-L27 HydrophobicContact CB-CD2 4.33Å; V10-L27 HydrophobicContact CG1-CD1 3.95Å; V10-L27 HydrophobicContact CG1-CD2 4.05Å; V10-L27 HydrophobicContact CG2-CD2 4.16Å; V10-Y31 HydrophobicContact CG2-CE2 3.82Å; V10-I87 PolarHBondContact N-O 3.24Å; V10-A88 HydrophobicContact CB-CB 3.87Å; V10-A88 CarbonylContact O-C 3.6Å; V10-A88 WeakPolarHBondContact O-CA 3.46Å; V10-A88 WeakPolarHBondContact O-CB 3.49Å; V10-T89 PolarHBondContact O-N 2.85Å; V10-K109 WeakPolarHBondContact CA-O 3.43Å; V10-L111 HydrophobicContact CG1-CD1 3.5Å; V10-L111 VanDerWaalsContact CG1-CD1 3.5Å; V10-L111 HydrophobicContact CG1-CG 3.79Å; V10-L214 HydrophobicContact CG2-CD1 4.35Å; V10-L214 HydrophobicContact CG2-CD2 3.7Å
11I98.9Very high86Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-109.5119.5175.3-61.2160000107.1I8 L101 M102 A108 K109 V110 L111I8-I11 HydrophobicContact CG2-CG1 3.79Å; I11-L101 VanDerWaalsContact CD1-C 3.49Å; I11-L101 HydrophobicContact CD1-CB 3.59Å; I11-L101 HydrophobicContact CG1-CB 3.97Å; I11-L101 HydrophobicContact CG2-CB 4.15Å; I11-L101 HydrophobicContact CG2-CD1 4Å; I11-M102 HydrophobicContact CD1-CG 4.11Å; I11-A108 HydrophobicContact CD1-CB 3.73Å; I11-A108 HydrophobicContact CG1-CB 4.02Å; I11-K109 PolarHBondContact N-O 2.93Å; I11-V110 CarbonylContact O-C 3.52Å; I11-V110 WeakPolarHBondContact O-CA 3.47Å; I11-L111 PolarHBondContact O-N 3.33Å
12S98.8Very high88.8Confident0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-97.9120.8169.1-175.90000111.1G14 T89 L111S12-G14 PolarHBondContact OG-N 3.01Å; S12-T89 WeakPolarHBondContact CA-O 3.33Å; S12-T89 WeakPolarHBondContact CB-O 3.26Å; S12-T89 PolarHBondContact N-O 3.05Å; S12-L111 CarbonylContact C-O 3.55Å; S12-L111 WeakPolarHBondContact CA-O 3.3Å; S12-L111 PolarHBondContact OG-O 2.7Å
13A98.8Very high91.2Very high0 Ų028.8 Ų28.80%017%0.167CC..  trans-86.29.8171.200000112L15 Y98 V110 L111 L112 Y185 V189A13-L15 PolarHBondContact O-N 3.48Å; A13-Y98 HydrophobicContact CB-CD1 4.44Å; A13-Y98 HydrophobicContact CB-CG 4.08Å; A13-V110 HydrophobicContact CB-CG1 4.41Å; A13-L111 PolarHBondContact N-O 3.44Å; A13-L112 HydrophobicContact CB-CD1 4.32Å; A13-Y185 WeakPolarHBondContact O-CE1 3.27Å; A13-Y185 PolarHBondContact O-OH 3.3Å; A13-V189 HydrophobicContact CB-CG1 3.78Å; A13-V189 HydrophobicContact CB-CG2 4.11Å
14G98.8Very high93.7Very high0 Ų020.5 Ų20.50%013%0.128CC..PPolyproline II helixtrans-64.8131.4179.500000113S12 C95 T113S12-G14 PolarHBondContact OG-N 3.01Å; G14-C95 VanDerWaalsContact O-CB 3.26Å; G14-C95 WeakPolarHBondContact O-CB 3.23Å; G14-T113 WeakPolarHBondContact CA-OG1 3.31Å
15L98.8Very high95.9Very high0 Ų016.8 Ų16.80%010%0.1CC..PPolyproline II helixtrans-66.6158.8170.1-72171000111.3A13 T18 T20 W120 A164 F165 Y182 Y185A13-L15 PolarHBondContact O-N 3.48Å; L15-T18 HydrophobicContact CB-CG2 4.3Å; L15-T18 PolarHBondContact O-N 3.42Å; L15-T18 PolarHBondContact O-OG1 3.27Å; L15-T20 WeakPolarHBondContact O-CG2 3.29Å; L15-W120 HydrophobicContact CD1-CZ2 4.38Å; L15-A164 HydrophobicContact CD2-CB 4.37Å; L15-F165 HydrophobicContact CD1-CE1 3.84Å; L15-F165 HydrophobicContact CD1-CZ 4.45Å; L15-F165 HydrophobicContact CD2-CE1 3.91Å; L15-F165 HydrophobicContact CD2-CZ 4.43Å; L15-Y182 HydrophobicContact CD1-CD2 3.64Å; L15-Y182 HydrophobicContact CD1-CE2 4.22Å; L15-Y185 HydrophobicContact CD1-CD1 3.53Å; L15-Y185 HydrophobicContact CD1-CE1 4.07Å; L15-Y185 HydrophobicContact CD1-CG 4.07Å; L15-Y185 HydrophobicContact CD2-CD1 4.02Å; L15-Y185 HydrophobicContact CD2-CE1 3.9Å; L15-Y185 HydrophobicContact CD2-CE2 4.44Å; L15-Y185 HydrophobicContact CD2-CG 4.34Å; L15-Y185 HydrophobicContact CG-CD1 3.61Å; L15-Y185 HydrophobicContact CG-CE1 3.58Å; L15-Y185 HydrophobicContact CG-CG 4.33Å
16P98.6Very high97.4Very high4 Ų413.1 Ų13.13%0.0267%0.074CC..THydrogen-bonded Turntrans-55.4149.217322.9-33.2000110.2T18 D91 L92 W120 L124 V128 L161P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.46Å; P16-D91 WeakPolarHBondContact CA-OD1 3.26Å; P16-D91 WeakPolarHBondContact CB-OD1 3.18Å; P16-L92 HydrophobicContact CG-CD1 3.83Å; P16-L92 HydrophobicContact CG-CG 4.04Å; P16-W120 PolarHBondContact O-NE1 2.8Å; P16-L124 HydrophobicContact CG-CD1 4.16Å; P16-V128 HydrophobicContact CB-CG2 4.46Å; P16-L161 HydrophobicContact CG-CD2 4.12Å
17R97.7Very high98.2Very high19 Ų1911.9 Ų11.97%0.0727%0.067CC..THydrogen-bonded Turntrans70.210177.3-44.7-49.8-57.8167.2-1.4115.7R115 S123 L124 V128 N228R17-R115 WeakPolarHBondContact O-CD 3.19Å; R17-R115 PolarHBondContact O-NH1 3.2Å; R17-S123 PolarHBondContact NE-OG 3.45Å; R17-S123 PolarHBondContact NH2-OG 2.93Å; R17-S123 VanDerWaalsContact NH2-OG 3.08Å; R17-L124 HydrophobicContact CG-CB 4.44Å; R17-L124 HydrophobicContact CG-CD1 4.1Å; R17-V128 HydrophobicContact CG-CG2 3.96Å; R17-N228 PolarHBondContact NH1-ND2 3.11Å; R17-N228 PolarHBondContact NH1-O 3.14Å; R17-N228 VanDerWaalsContact NH1-O 3.15Å; R17-N228 PolarHBondContact NH1-OD1 2.87Å; R17-N228 PolarHBondContact NH2-O 3.24Å
18T98.4Very high98.5Very high1 Ų110.9 Ų10.91%0.0066%0.057CC..SBendtrans-95.49.2171.166.10000114.2L15 P16 T113 R115 Y182L15-T18 HydrophobicContact CB-CG2 4.3Å; L15-T18 PolarHBondContact O-N 3.42Å; L15-T18 PolarHBondContact O-OG1 3.27Å; P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.46Å; T18-T113 WeakPolarHBondContact CB-O 3.29Å; T18-T113 WeakPolarHBondContact O-CB 3.42Å; T18-T113 WeakPolarHBondContact OG1-CB 3.38Å; T18-T113 PolarHBondContact OG1-O 3.1Å; T18-T113 PolarHBondContact OG1-OG1 3.41Å; T18-R115 HydrophobicContact CG2-CG 4.29Å; T18-Y182 HydrophobicContact CG2-CE2 3.83Å
19G97.7Very high98.5Very high17 Ų1712.9 Ų12.918%0.1757%0.067CC..SBendtrans105.615.3-178.300000114.6K21 S22 L23G19-K21 PolarHBondContact O-N 3.17Å; G19-S22 WeakPolarHBondContact O-CB 3.47Å; G19-S22 PolarHBondContact O-N 3.09Å; G19-L23 PolarHBondContact O-N 3.01Å
20T98.5Very high98.5Very high4 Ų49.8 Ų9.83%0.0255%0.054CC..Hα-helixtrans-60.8-38.2-175.849.80000114.5L15 L23 K24 H37 D91L15-T20 WeakPolarHBondContact O-CG2 3.29Å; T20-L23 PolarHBondContact O-N 3.42Å; T20-K24 PolarHBondContact O-N 3.25Å; T20-H37 PolarHBondContact OG1-NE2 3.35Å; T20-D91 HydrophobicContact CG2-CB 4.29Å
21K98.1Very high98.4Very high3 Ų312 Ų121%0.0136%0.062CC..Hα-helixtrans-70.4-38176.3179.255.4175.21610112.4G19 L23 K24 N25 H37 F39 V227 N228 L256 I257G19-K21 PolarHBondContact O-N 3.17Å; K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 3.24Å; K21-K24 HydrophobicContact CD-CD 3.87Å; K21-K24 WeakPolarHBondContact O-CB 3.41Å; K21-K24 PolarHBondContact O-N 3.46Å; K21-N25 WeakPolarHBondContact CE-OD1 3.42Å; K21-N25 PolarHBondContact NZ-OD1 3.36Å; K21-N25 PolarHBondContact O-N 2.97Å; K21-N25 VanDerWaalsContact O-N 3.09Å; K21-N25 PolarHBondContact O-OD1 2.92Å; K21-H37 WeakPolarHBondContact CA-NE2 3.37Å; K21-H37 PolarHBondContact N-NE2 2.95Å; K21-H37 VanDerWaalsContact N-NE2 3.18Å; K21-F39 HydrophobicContact CD-CD1 3.9Å; K21-F39 HydrophobicContact CD-CE1 4.16Å; K21-F39 HydrophobicContact CD-CG 4.24Å; K21-F39 VanDerWaalsContact CE-CD1 3.48Å; K21-F39 HydrophobicContact CG-CE1 4.34Å; K21-V227 HydrophobicContact CB-CG2 4.44Å; K21-V227 HydrophobicContact CG-CG2 3.83Å; K21-N228 HydrophobicContact CB-CB 3.91Å; K21-N228 WeakPolarHBondContact CB-ND2 3.36Å; K21-N228 HydrophobicContact CG-CB 3.95Å; K21-L256 WeakPolarHBondContact CE-O 3.48Å; K21-L256 PolarHBondContact NZ-O 3.45Å; K21-I257 PolarHBondContact NZ-OXT 3.15Å
22S98.1Very high98.3Very high9 Ų919.9 Ų19.96%0.06310%0.099CC..Hα-helixtrans-59.9-43.6169.5-800000111.5G19 N25 A26 P225 V227G19-S22 WeakPolarHBondContact O-CB 3.47Å; G19-S22 PolarHBondContact O-N 3.09Å; S22-N25 PolarHBondContact O-N 2.8Å; S22-A26 WeakPolarHBondContact O-CB 3.21Å; S22-A26 PolarHBondContact O-N 2.9Å; S22-P225 WeakPolarHBondContact CB-O 3.38Å; S22-P225 PolarHBondContact OG-O 3.07Å; S22-V227 PolarHBondContact OG-N 3.42Å
23L98.7Very high98.2Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-65.3-40.3176.3-179.460.3000112.4G19 T20 K21 N25 A26 L27 T90 L111 T113 L201 L210G19-L23 PolarHBondContact O-N 3.01Å; T20-L23 PolarHBondContact O-N 3.42Å; K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 3.24Å; L23-N25 PolarHBondContact O-N 3.14Å; L23-A26 PolarHBondContact O-N 3.46Å; L23-L27 HydrophobicContact CD1-CD1 4.02Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 3.94Å; L23-L27 HydrophobicContact CG-CD1 3.87Å; L23-L27 HydrophobicContact CG-CG 4.26Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.26Å; L23-L27 WeakPolarHBondContact O-CG 3.36Å; L23-L27 PolarHBondContact O-N 3.04Å; L23-T90 HydrophobicContact CB-CG2 4.44Å; L23-T90 HydrophobicContact CD2-CG2 4.1Å; L23-T90 HydrophobicContact CG-CG2 4.1Å; L23-L111 HydrophobicContact CD1-CD1 3.75Å; L23-L111 HydrophobicContact CD2-CB 4.16Å; L23-L111 HydrophobicContact CD2-CD1 3.8Å; L23-L111 HydrophobicContact CG-CD1 4.29Å; L23-T113 HydrophobicContact CB-CG2 4.46Å; L23-T113 HydrophobicContact CD2-CG2 3.67Å; L23-L201 HydrophobicContact CD1-CD1 4.32Å; L23-L210 HydrophobicContact CD1-CD1 4.15Å; L23-L210 HydrophobicContact CD1-CD2 4Å
24K98.6Very high98.2Very high4 Ų426.1 Ų26.12%0.01713%0.131CC..Hα-helixtrans-52.4-55.4172.2-178.6-154.7-171.8-74.60110.1T20 K21 A26 L27 E28 C35 H37 E40T20-K24 PolarHBondContact O-N 3.25Å; K21-K24 HydrophobicContact CD-CD 3.87Å; K21-K24 WeakPolarHBondContact O-CB 3.41Å; K21-K24 PolarHBondContact O-N 3.46Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.4Å; K24-L27 PolarHBondContact O-N 3.31Å; K24-E28 IonicContact NZ-OE1 3.82Å; K24-E28 PolarHBondContact NZ-OE1 3.02Å; K24-E28 IonicContact NZ-OE2 2.63Å; K24-E28 PolarHBondContact NZ-OE2 3.13Å; K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 2.77Å; K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.46Å; K24-C35 HydrophobicContact CG-CB 3.66Å; K24-H37 HydrophobicContact CB-CB 4.46Å; K24-H37 HydrophobicContact CD-CB 3.7Å; K24-H37 HydrophobicContact CG-CB 4.12Å; K24-E40 IonicContact NZ-OE1 3.36Å
25N98.4Very high98.2Very high25 Ų2526.1 Ų26.113%0.13413%0.131CC..Hα-helixtrans-61.6-39.6-179.2-68.214.9000111.1K21 S22 L23 E28 I29 P225K21-N25 WeakPolarHBondContact CE-OD1 3.42Å; K21-N25 PolarHBondContact NZ-OD1 3.36Å; K21-N25 PolarHBondContact O-N 2.97Å; K21-N25 VanDerWaalsContact O-N 3.09Å; K21-N25 PolarHBondContact O-OD1 2.92Å; S22-N25 PolarHBondContact O-N 2.8Å; L23-N25 PolarHBondContact O-N 3.14Å; N25-E28 PolarHBondContact O-N 3.19Å; N25-I29 WeakPolarHBondContact O-CD1 3.47Å; N25-I29 VanDerWaalsContact O-CG1 3.28Å; N25-I29 WeakPolarHBondContact O-CG1 3.24Å; N25-I29 PolarHBondContact O-N 3.35Å; N25-P225 HydrophobicContact CB-CB 3.79Å; N25-P225 HydrophobicContact CB-CG 3.78Å
26A98.7Very high98.2Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-62.9-43.5178.200000112.4S22 L23 K24 I29 I30 W207 L210 Y224 P225S22-A26 WeakPolarHBondContact O-CB 3.21Å; S22-A26 PolarHBondContact O-N 2.9Å; L23-A26 PolarHBondContact O-N 3.46Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.4Å; A26-I29 PolarHBondContact O-N 3.19Å; A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.18Å; A26-W207 HydrophobicContact CB-CH2 3.69Å; A26-W207 HydrophobicContact CB-CZ3 3.63Å; A26-L210 HydrophobicContact CB-CD2 4.09Å; A26-Y224 HydrophobicContact CB-CD2 4.22Å; A26-Y224 HydrophobicContact CB-CE2 3.56Å; A26-P225 HydrophobicContact CB-CG 4.35Å
27L98.8Very high98.2Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-67.7-36.4177.1-66.9170.2000111.7V10 L23 K24 I29 I30 Y31 A88 T90 L111 L214V10-L27 HydrophobicContact CB-CD1 4.41Å; V10-L27 HydrophobicContact CB-CD2 4.33Å; V10-L27 HydrophobicContact CG1-CD1 3.95Å; V10-L27 HydrophobicContact CG1-CD2 4.05Å; V10-L27 HydrophobicContact CG2-CD2 4.16Å; L23-L27 HydrophobicContact CD1-CD1 4.02Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 3.94Å; L23-L27 HydrophobicContact CG-CD1 3.87Å; L23-L27 HydrophobicContact CG-CG 4.26Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.26Å; L23-L27 WeakPolarHBondContact O-CG 3.36Å; L23-L27 PolarHBondContact O-N 3.04Å; K24-L27 PolarHBondContact O-N 3.31Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-Y31 HydrophobicContact CB-CD2 4.48Å; L27-Y31 HydrophobicContact CD2-CD2 4.38Å; L27-Y31 HydrophobicContact CD2-CE2 3.99Å; L27-Y31 WeakPolarHBondContact O-CB 3.5Å; L27-Y31 WeakPolarHBondContact O-CD2 3.44Å; L27-Y31 PolarHBondContact O-N 2.97Å; L27-A88 HydrophobicContact CB-CB 4.44Å; L27-A88 HydrophobicContact CD1-CB 3.76Å; L27-T90 HydrophobicContact CD1-CG2 4.24Å; L27-L111 HydrophobicContact CD1-CD1 4.5Å; L27-L111 HydrophobicContact CD2-CD1 4.37Å; L27-L214 HydrophobicContact CD2-CD1 3.73Å
28E98.1Very high98.2Very high46 Ų4625.7 Ų25.722%0.21513%0.13CC..Hα-helixtrans-67.2-34.3175-71.5-179160.700112.4K24 N25 H32 K33 P34 C35K24-E28 IonicContact NZ-OE1 3.82Å; K24-E28 PolarHBondContact NZ-OE1 3.02Å; K24-E28 IonicContact NZ-OE2 2.63Å; K24-E28 PolarHBondContact NZ-OE2 3.13Å; K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 2.77Å; N25-E28 PolarHBondContact O-N 3.19Å; E28-H32 WeakPolarHBondContact O-CA 3.47Å; E28-H32 PolarHBondContact O-N 2.89Å; E28-K33 WeakPolarHBondContact CG-O 3.29Å; E28-P34 WeakPolarHBondContact OE1-CA 3.31Å; E28-C35 HydrophobicContact CG-CB 3.91Å; E28-C35 PolarHBondContact OE1-N 2.74Å
29I98.4Very high98.2Very high48 Ų4826.4 Ų26.425%0.24613%0.133CC..Hα-helixtrans-66.4-45.5171.7-69161.5000110.9N25 A26 L27 H32 W207 P219 I222 P225N25-I29 WeakPolarHBondContact O-CD1 3.47Å; N25-I29 VanDerWaalsContact O-CG1 3.28Å; N25-I29 WeakPolarHBondContact O-CG1 3.24Å; N25-I29 PolarHBondContact O-N 3.35Å; A26-I29 PolarHBondContact O-N 3.19Å; L27-I29 VanDerWaalsContact C-N 3.34Å; I29-H32 PolarHBondContact O-CE1 3.16Å; I29-H32 PolarHBondContact O-ND1 3.45Å; I29-W207 HydrophobicContact CB-CH2 4.13Å; I29-W207 HydrophobicContact CD1-CH2 4.17Å; I29-W207 HydrophobicContact CD1-CZ2 4.24Å; I29-W207 HydrophobicContact CG2-CH2 4.06Å; I29-W207 HydrophobicContact CG2-CZ2 4.4Å; I29-P219 HydrophobicContact CG2-CB 3.97Å; I29-P219 HydrophobicContact CG2-CG 3.71Å; I29-I222 HydrophobicContact CD1-CG2 4.2Å; I29-I222 HydrophobicContact CG2-CD1 4.3Å; I29-P225 HydrophobicContact CD1-CG 3.74Å
30I98.4Very high98.2Very high26 Ų2626.3 Ų26.313%0.13313%0.128CC..Hα-helixtrans-65.3-46.8-178.8-73.3167.6000111.6A26 L27 W207 L210 L214 V216A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.18Å; L27-I30 PolarHBondContact O-N 3.46Å; I30-W207 HydrophobicContact CD1-CE3 4.26Å; I30-W207 HydrophobicContact CD1-CZ3 3.71Å; I30-W207 HydrophobicContact CG1-CZ3 3.86Å; I30-L210 HydrophobicContact CD1-CD2 3.95Å; I30-L210 HydrophobicContact CD1-CG 4.2Å; I30-L214 HydrophobicContact CD1-CD1 4.12Å; I30-V216 HydrophobicContact CD1-CG2 4.2Å; I30-V216 HydrophobicContact CG1-CG2 4.39Å; I30-V216 HydrophobicContact CG2-CB 4.17Å; I30-V216 HydrophobicContact CG2-CG1 4.03Å; I30-V216 HydrophobicContact CG2-CG2 3.78Å
31Y97.2Very high98.2Very high46 Ų4626.1 Ų26.118%0.1813%0.127CC..Hα-helixtrans-100.5-10.9-168.8-70.6-69.8000114.2V10 L27 K33 I87 L214V10-Y31 HydrophobicContact CG2-CE2 3.82Å; L27-Y31 HydrophobicContact CB-CD2 4.48Å; L27-Y31 HydrophobicContact CD2-CD2 4.38Å; L27-Y31 HydrophobicContact CD2-CE2 3.99Å; L27-Y31 WeakPolarHBondContact O-CB 3.5Å; L27-Y31 WeakPolarHBondContact O-CD2 3.44Å; L27-Y31 PolarHBondContact O-N 2.97Å; Y31-K33 WeakPolarHBondContact O-CG 3.28Å; Y31-K33 PolarHBondContact O-N 3.22Å; Y31-K33 VanDerWaalsContact O-N 3.14Å; Y31-I87 HydrophobicContact CD1-CG1 4Å; Y31-I87 HydrophobicContact CD2-CG1 4.13Å; Y31-I87 HydrophobicContact CD2-CG2 4.28Å; Y31-I87 HydrophobicContact CG-CG1 3.74Å; Y31-I87 HydrophobicContact CG-CG2 4.28Å; Y31-L214 HydrophobicContact CE2-CD1 4.1Å
32H96.4Very high98.2Very high165 Ų16527 Ų2776%0.76413%0.131SC*.SBendtrans5134.2-173.6-54.9-62.6000112.9E28 I29E28-H32 WeakPolarHBondContact O-CA 3.47Å; E28-H32 PolarHBondContact O-N 2.89Å; I29-H32 PolarHBondContact O-CE1 3.16Å; I29-H32 PolarHBondContact O-ND1 3.45Å
33K97.7Very high98.1Very high78 Ų7828.4 Ų28.434%0.33914%0.136SC..SBendtrans-145150-175-74.1-173174.8-1530109.8T6 E28 Y31 I87T6-K33 HydrophobicContact CG2-CB 4.49Å; T6-K33 HydrophobicContact CG2-CD 3.63Å; T6-K33 PolarHBondContact OG1-NZ 3.05Å; E28-K33 WeakPolarHBondContact CG-O 3.29Å; Y31-K33 WeakPolarHBondContact O-CG 3.28Å; Y31-K33 PolarHBondContact O-N 3.22Å; Y31-K33 VanDerWaalsContact O-N 3.14Å; K33-I87 HydrophobicContact CB-CB 3.75Å; K33-I87 HydrophobicContact CB-CG1 4.4Å; K33-I87 HydrophobicContact CB-CG2 3.77Å; K33-I87 HydrophobicContact CD-CB 4.4Å; K33-I87 HydrophobicContact CD-CD1 4.32Å; K33-I87 WeakPolarHBondContact O-CG2 3.28Å
34P97.8Very high98Very high54 Ų5432.7 Ų32.735%0.35116%0.159SC..  trans-70.7145.7-167.928.7-35.1000112.8E28 G85 Y86 I87E28-P34 WeakPolarHBondContact OE1-CA 3.31Å; P34-G85 VanDerWaalsContact CG-O 3.31Å; P34-G85 WeakPolarHBondContact CG-O 3.36Å; P34-Y86 HydrophobicContact CB-CD1 3.76Å; P34-Y86 HydrophobicContact CB-CE1 3.97Å; P34-Y86 HydrophobicContact CG-CD1 4.03Å; P34-Y86 HydrophobicContact CG-CE1 4.44Å; P34-Y86 WeakPolarHBondContact O-CA 3.44Å; P34-Y86 WeakPolarHBondContact O-CD1 3.42Å; P34-I87 WeakPolarHBondContact O-CG2 3.4Å; P34-I87 PolarHBondContact O-N 2.92Å
35C98.6Very high97.9Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-112.4124.8173.9176.40000110.2K24 E28 H37 A88K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.46Å; K24-C35 HydrophobicContact CG-CB 3.66Å; E28-C35 HydrophobicContact CG-CB 3.91Å; E28-C35 PolarHBondContact OE1-N 2.74Å; C35-H37 PolarHBondContact O-N 3.38Å; C35-A88 CarbonylContact C-O 3.55Å; C35-A88 WeakPolarHBondContact CA-O 3.32Å; C35-A88 HydrophobicContact CB-CB 4.11Å
36Y98.7Very high97.9Very high0 Ų037.8 Ų37.80%018%0.181CC..EExtended strand (participates in β ladder)trans-68.9132.3177.7-155.7-77.2000109.8I41 D48 W52 L83 Y86 A88 T89 T90 T94Y36-I41 HydrophobicContact CE1-CD1 4.17Å; Y36-I41 HydrophobicContact CE1-CG1 4.04Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.44Å; Y36-D48 WeakPolarHBondContact OH-CB 3.43Å; Y36-D48 PolarHBondContact OH-OD2 3.3Å; Y36-W52 HydrophobicContact CE1-CZ2 4.14Å; Y36-W52 AromaticContact CE1-NE1 3.71Å; Y36-W52 AromaticContact CZ-NE1 3.54Å; Y36-W52 PolarHBondContact OH-NE1 2.66Å; Y36-L83 HydrophobicContact CD1-CD2 4.2Å; Y36-L83 HydrophobicContact CD2-CD2 3.61Å; Y36-L83 HydrophobicContact CE2-CD2 4.26Å; Y36-L83 HydrophobicContact CG-CD2 3.61Å; Y36-Y86 HydrophobicContact CD2-CD1 4.26Å; Y36-Y86 AromaticContact CD2-CD2 3.82Å; Y36-Y86 HydrophobicContact CD2-CD2 3.82Å; Y36-Y86 AromaticContact CD2-CE1 3.86Å; Y36-Y86 HydrophobicContact CD2-CE1 3.86Å; Y36-Y86 AromaticContact CD2-CE2 3.37Å; Y36-Y86 HydrophobicContact CD2-CE2 3.37Å; Y36-Y86 HydrophobicContact CD2-CG 4.2Å; Y36-Y86 AromaticContact CD2-CZ 3.32Å; Y36-Y86 WeakPolarHBondContact CD2-OH 3.24Å; Y36-Y86 AromaticContact CE2-CE2 3.92Å; Y36-Y86 HydrophobicContact CE2-CE2 3.92Å; Y36-Y86 AromaticContact CE2-CZ 3.91Å; Y36-Y86 HydrophobicContact CG-CE1 4.35Å; Y36-Y86 HydrophobicContact CG-CE2 4.46Å; Y36-Y86 VanDerWaalsContact N-CD1 3.28Å; Y36-A88 PolarHBondContact N-O 2.83Å; Y36-T89 CarbonylContact O-C 3.5Å; Y36-T89 WeakPolarHBondContact O-CA 3.11Å; Y36-T90 PolarHBondContact O-N 2.89Å; Y36-T90 PolarHBondContact O-OG1 3.25Å; Y36-T90 VanDerWaalsContact O-OG1 3.08Å; Y36-T94 HydrophobicContact CD1-CG2 3.96Å
37H98.5Very high97.8Very high1 Ų141.8 Ų41.81%0.00521%0.21CC..  trans-150162177.9-173.6-67.9000108T20 K21 K24 C35 F39 E40 T90 D91T20-H37 PolarHBondContact OG1-NE2 3.35Å; K21-H37 WeakPolarHBondContact CA-NE2 3.37Å; K21-H37 PolarHBondContact N-NE2 2.95Å; K21-H37 VanDerWaalsContact N-NE2 3.18Å; K24-H37 HydrophobicContact CB-CB 4.46Å; K24-H37 HydrophobicContact CD-CB 3.7Å; K24-H37 HydrophobicContact CG-CB 4.12Å; C35-H37 PolarHBondContact O-N 3.38Å; H37-F39 AromaticContact CE1-CD2 3.82Å; H37-F39 AromaticContact ND1-CD2 3.73Å; H37-F39 PolarHBondContact ND1-N 2.64Å; H37-F39 VanDerWaalsContact ND1-N 3.15Å; H37-F39 PolarHBondContact O-N 2.72Å; H37-E40 VanDerWaalsContact O-CB 3.3Å; H37-E40 WeakPolarHBondContact O-CB 3.45Å; H37-E40 PolarHBondContact O-N 3.17Å; H37-T90 WeakPolarHBondContact CA-O 3.44Å; H37-T90 WeakPolarHBondContact CB-OG1 3.39Å; H37-T90 PolarHBondContact CD2-OG1 3.28Å; H37-D91 IonicContact CE1-OD2 3.22Å; H37-D91 PolarHBondContact CE1-OD2 2.86Å; H37-D91 IonicContact ND1-OD2 2.87Å; H37-D91 PolarHBondContact ND1-OD2 3.42Å; H37-D91 IonicContact NE2-OD2 2.69Å; H37-D91 PolarHBondContact NE2-OD2 3.3Å
38M98.2Very high97.8Very high12 Ų1242.3 Ų42.36%0.05921%0.212CC..Hα-helixtrans-48.8-25.3169.8-172.856.475.600114.2E40 I41 I42 D91 L92 F153M38-E40 VanDerWaalsContact C-N 3.32Å; M38-E40 PolarHBondContact O-N 2.82Å; M38-I41 HydrophobicContact CE-CD1 4.46Å; M38-I41 WeakPolarHBondContact O-CB 3.48Å; M38-I41 PolarHBondContact O-N 3.31Å; M38-I41 HydrophobicContact SD-CB 4.08Å; M38-I41 HydrophobicContact SD-CD1 3.92Å; M38-I41 HydrophobicContact SD-CG1 4.49Å; M38-I41 HydrophobicContact SD-CG2 4.39Å; M38-I42 HydrophobicContact CG-CD1 3.97Å; M38-I42 HydrophobicContact CG-CG1 4.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.45Å; M38-I42 PolarHBondContact O-N 2.68Å; M38-D91 WeakPolarHBondContact CB-OD2 3.37Å; M38-L92 HydrophobicContact CE-CB 3.57Å; M38-L92 PolarHBondContact N-O 3.35Å; M38-F153 HydrophobicContact CG-CE2 4.3Å; M38-F153 HydrophobicContact SD-CE2 3.64Å; M38-F153 HydrophobicContact SD-CZ 4.38Å
39F98.1Very high97.8Very high16 Ų1640.9 Ų40.97%0.0721%0.206CC..Hα-helixtrans-68.9-30.1175.8-86.9-138.5000112.5K21 H37 I41 I42 F43 L256K21-F39 HydrophobicContact CD-CD1 3.9Å; K21-F39 HydrophobicContact CD-CE1 4.16Å; K21-F39 HydrophobicContact CD-CG 4.24Å; K21-F39 VanDerWaalsContact CE-CD1 3.48Å; K21-F39 HydrophobicContact CG-CE1 4.34Å; H37-F39 AromaticContact CE1-CD2 3.82Å; H37-F39 AromaticContact ND1-CD2 3.73Å; H37-F39 PolarHBondContact ND1-N 2.64Å; H37-F39 VanDerWaalsContact ND1-N 3.15Å; H37-F39 PolarHBondContact O-N 2.72Å; F39-I41 VanDerWaalsContact C-N 3.27Å; F39-I41 PolarHBondContact O-N 3.07Å; F39-I42 HydrophobicContact CD2-CD1 4.31Å; F39-I42 PolarHBondContact O-N 3.31Å; F39-F43 HydrophobicContact CB-CD2 4.14Å; F39-F43 HydrophobicContact CB-CE2 4.43Å; F39-F43 AromaticContact CD1-CD2 3.99Å; F39-F43 HydrophobicContact CD1-CD2 3.99Å; F39-F43 AromaticContact CD1-CE2 3.59Å; F39-F43 HydrophobicContact CD1-CE2 3.59Å; F39-F43 AromaticContact CE1-CE2 3.88Å; F39-F43 HydrophobicContact CE1-CE2 3.88Å; F39-F43 HydrophobicContact CG-CD2 4.17Å; F39-F43 AromaticContact CG-CE2 3.96Å; F39-F43 HydrophobicContact CG-CE2 3.96Å; F39-F43 HydrophobicContact CZ-CE2 4.46Å; F39-F43 WeakPolarHBondContact O-CD2 3.49Å; F39-F43 PolarHBondContact O-N 2.93Å; F39-L256 WeakPolarHBondContact CD1-O 3.2Å; F39-L256 HydrophobicContact CE1-CD1 3.9Å; F39-L256 WeakPolarHBondContact CE1-O 3.33Å; F39-L256 HydrophobicContact CZ-CD1 4.4Å
40E98.1Very high97.8Very high16 Ų1643.4 Ų43.48%0.07522%0.219CC..Hα-helixtrans-61.6-40.1170.9-67.9-57.6119.400110.6K24 H37 M38 N44 K45 Y86K24-E40 IonicContact NZ-OE1 3.36Å; H37-E40 VanDerWaalsContact O-CB 3.3Å; H37-E40 WeakPolarHBondContact O-CB 3.45Å; H37-E40 PolarHBondContact O-N 3.17Å; M38-E40 VanDerWaalsContact C-N 3.32Å; M38-E40 PolarHBondContact O-N 2.82Å; E40-N44 CarbonylContact O-C 3.48Å; E40-N44 WeakPolarHBondContact O-CA 3.39Å; E40-N44 WeakPolarHBondContact O-CB 3.37Å; E40-N44 PolarHBondContact O-N 2.79Å; E40-N44 PolarHBondContact OE1-ND2 3.16Å; E40-N44 PolarHBondContact OE2-ND2 2.6Å; E40-K45 PolarHBondContact O-N 3.35Å; E40-K45 IonicContact OE2-NZ 2.7Å; E40-K45 PolarHBondContact OE2-NZ 2.95Å; E40-Y86 HydrophobicContact CG-CE1 3.99Å; E40-Y86 PolarHBondContact OE2-OH 2.94Å
41I98.6Very high97.8Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-66.6-49.4176.3-61.1177.5000110.1Y36 M38 F39 K45 Q46 I49 P93 L156Y36-I41 HydrophobicContact CE1-CD1 4.17Å; Y36-I41 HydrophobicContact CE1-CG1 4.04Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.44Å; M38-I41 HydrophobicContact CE-CD1 4.46Å; M38-I41 WeakPolarHBondContact O-CB 3.48Å; M38-I41 PolarHBondContact O-N 3.31Å; M38-I41 HydrophobicContact SD-CB 4.08Å; M38-I41 HydrophobicContact SD-CD1 3.92Å; M38-I41 HydrophobicContact SD-CG1 4.49Å; M38-I41 HydrophobicContact SD-CG2 4.39Å; F39-I41 VanDerWaalsContact C-N 3.27Å; F39-I41 PolarHBondContact O-N 3.07Å; I41-K45 CarbonylContact O-C 3.46Å; I41-Q46 VanDerWaalsContact O-CA 3.32Å; I41-Q46 WeakPolarHBondContact O-CA 3.49Å; I41-Q46 WeakPolarHBondContact O-CG 3.48Å; I41-Q46 PolarHBondContact O-N 3.02Å; I41-Q46 VanDerWaalsContact O-N 3.08Å; I41-I49 HydrophobicContact CG2-CD1 4.13Å; I41-I49 HydrophobicContact CG2-CG1 3.48Å; I41-I49 VanDerWaalsContact CG2-CG1 3.48Å; I41-P93 HydrophobicContact CD1-CG 4.44Å; I41-L156 HydrophobicContact CD1-CD2 4.05Å
42I98Very high97.9Very high20 Ų2044 Ų4410%0.10322%0.222CC..Hα-helixtrans-62.3-47.7-175.9-67.9165000111.9M38 F39 Q46 L147 L149 F153M38-I42 HydrophobicContact CG-CD1 3.97Å; M38-I42 HydrophobicContact CG-CG1 4.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.45Å; M38-I42 PolarHBondContact O-N 2.68Å; F39-I42 HydrophobicContact CD2-CD1 4.31Å; F39-I42 PolarHBondContact O-N 3.31Å; I42-Q46 PolarHBondContact O-NE2 2.9Å; I42-L147 HydrophobicContact CG2-CD1 4.03Å; I42-L149 HydrophobicContact CG1-CD1 4.22Å; I42-L149 HydrophobicContact CG2-CD1 4.12Å; I42-F153 HydrophobicContact CD1-CE2 4.14Å; I42-F153 HydrophobicContact CD1-CZ 3.9Å; I42-F153 HydrophobicContact CG1-CE2 3.65Å; I42-F153 HydrophobicContact CG1-CZ 3.86Å
43F96.7Very high98Very high39 Ų3937.4 Ų37.417%0.17119%0.191CC..Hα-helixtrans-101.9-26.3-168.1-63.1-68000114.4F39 L147 L246 L256 I257F39-F43 HydrophobicContact CB-CD2 4.14Å; F39-F43 HydrophobicContact CB-CE2 4.43Å; F39-F43 AromaticContact CD1-CD2 3.99Å; F39-F43 HydrophobicContact CD1-CD2 3.99Å; F39-F43 AromaticContact CD1-CE2 3.59Å; F39-F43 HydrophobicContact CD1-CE2 3.59Å; F39-F43 AromaticContact CE1-CE2 3.88Å; F39-F43 HydrophobicContact CE1-CE2 3.88Å; F39-F43 HydrophobicContact CG-CD2 4.17Å; F39-F43 AromaticContact CG-CE2 3.96Å; F39-F43 HydrophobicContact CG-CE2 3.96Å; F39-F43 HydrophobicContact CZ-CE2 4.46Å; F39-F43 WeakPolarHBondContact O-CD2 3.49Å; F39-F43 PolarHBondContact O-N 2.93Å; F43-L147 HydrophobicContact CE1-CD1 4.17Å; F43-L147 HydrophobicContact CE1-CD2 4.05Å; F43-L147 HydrophobicContact CZ-CD1 4.45Å; F43-L246 HydrophobicContact CD1-CD2 3.91Å; F43-L246 HydrophobicContact CE1-CD2 3.86Å; F43-L256 HydrophobicContact CE1-CD2 4.13Å; F43-L256 HydrophobicContact CE2-CD1 4.33Å; F43-L256 HydrophobicContact CE2-CG 4.22Å; F43-L256 HydrophobicContact CZ-CD1 4.01Å; F43-L256 HydrophobicContact CZ-CD2 3.87Å; F43-L256 HydrophobicContact CZ-CG 3.87Å; F43-I257 HydrophobicContact CB-CD1 4.09Å; F43-I257 HydrophobicContact CB-CG1 4.36Å; F43-I257 HydrophobicContact CD1-CD1 3.77Å; F43-I257 HydrophobicContact CD1-CG1 4.14Å; F43-I257 HydrophobicContact CD2-CG1 4.09Å; F43-I257 HydrophobicContact CE1-CD1 4.35Å; F43-I257 HydrophobicContact CE1-CG1 4.49Å; F43-I257 HydrophobicContact CE2-CG1 4.46Å; F43-I257 HydrophobicContact CG-CD1 3.88Å; F43-I257 HydrophobicContact CG-CG1 3.93Å
44N95.6Very high98Very high90 Ų9037.6 Ų37.648%0.48120%0.196SC..THydrogen-bonded Turntrans-123.1-33.1-168.2-59.1-39000114E40E40-N44 CarbonylContact O-C 3.48Å; E40-N44 WeakPolarHBondContact O-CA 3.39Å; E40-N44 WeakPolarHBondContact O-CB 3.37Å; E40-N44 PolarHBondContact O-N 2.79Å; E40-N44 PolarHBondContact OE1-ND2 3.16Å; E40-N44 PolarHBondContact OE2-ND2 2.6Å
45K96.6Very high97.9Very high65 Ų6535.1 Ų35.128%0.28318%0.179SC..  trans-139.448.8-163.9-57.9-173.4-178.968.20111.9E40 I41 S47 D48 Y86E40-K45 PolarHBondContact O-N 3.35Å; E40-K45 IonicContact OE2-NZ 2.7Å; E40-K45 PolarHBondContact OE2-NZ 2.95Å; I41-K45 CarbonylContact O-C 3.46Å; K45-S47 PolarHBondContact O-N 3.08Å; K45-S47 VanDerWaalsContact O-N 3.07Å; K45-D48 HydrophobicContact CB-CB 4.37Å; K45-D48 WeakPolarHBondContact CB-OD2 3.35Å; K45-D48 VanDerWaalsContact O-CB 3.27Å; K45-D48 WeakPolarHBondContact O-CB 3.43Å; K45-D48 PolarHBondContact O-N 3.28Å; K45-Y86 WeakPolarHBondContact CD-OH 3.46Å; K45-Y86 WeakPolarHBondContact CE-OH 3.26Å; K45-Y86 PolarHBondContact NZ-OH 3.48Å
46Q97.8Very high97.8Very high71 Ų7135.2 Ų35.233%0.33218%0.18SC..THydrogen-bonded Turntrans-58.1-24.9177-66.7-176.314.800112.6I41 I42 D48 I49 L147 L149I41-Q46 VanDerWaalsContact O-CA 3.32Å; I41-Q46 WeakPolarHBondContact O-CA 3.49Å; I41-Q46 WeakPolarHBondContact O-CG 3.48Å; I41-Q46 PolarHBondContact O-N 3.02Å; I41-Q46 VanDerWaalsContact O-N 3.08Å; I42-Q46 PolarHBondContact O-NE2 2.9Å; Q46-D48 PolarHBondContact O-N 3.43Å; Q46-I49 HydrophobicContact CB-CD1 4.4Å; Q46-I49 WeakPolarHBondContact O-CB 3.37Å; Q46-I49 WeakPolarHBondContact O-CD1 3.34Å; Q46-I49 VanDerWaalsContact O-CG1 3.22Å; Q46-I49 WeakPolarHBondContact O-CG1 3.21Å; Q46-I49 PolarHBondContact O-N 3.14Å; Q46-I49 VanDerWaalsContact O-N 3.12Å; Q46-L147 PolarHBondContact NE2-O 2.98Å; Q46-L149 HydrophobicContact CG-CD2 4.33Å
47S97.4Very high97.6Very high85 Ų8540.4 Ų40.459%0.59420%0.204SC*.THydrogen-bonded Turntrans-61.5-19.1171.156.50000114.3K45 I49K45-S47 PolarHBondContact O-N 3.08Å; K45-S47 VanDerWaalsContact O-N 3.07Å; S47-I49 PolarHBondContact O-N 3.48Å
48D98.5Very high97.3Very high10 Ų1043 Ų435%0.05322%0.218CC..Hα-helixtrans-74.6-14.9176.8-69.6-5.9000112Y36 K45 Q46 I50 K51 W52 L82Y36-D48 WeakPolarHBondContact OH-CB 3.43Å; Y36-D48 PolarHBondContact OH-OD2 3.3Å; K45-D48 HydrophobicContact CB-CB 4.37Å; K45-D48 WeakPolarHBondContact CB-OD2 3.35Å; K45-D48 VanDerWaalsContact O-CB 3.27Å; K45-D48 WeakPolarHBondContact O-CB 3.43Å; K45-D48 PolarHBondContact O-N 3.28Å; Q46-D48 PolarHBondContact O-N 3.43Å; D48-I50 PolarHBondContact O-N 3.14Å; D48-K51 WeakPolarHBondContact O-CB 3.41Å; D48-K51 PolarHBondContact O-N 3.01Å; D48-K51 VanDerWaalsContact O-N 3.09Å; D48-W52 VanDerWaalsContact O-CD1 3.27Å; D48-W52 PolarHBondContact O-N 3.45Å; D48-L82 HydrophobicContact CB-CD2 4.11Å
49I98.8Very high96.9Very high16 Ų1643.2 Ų43.28%0.08222%0.22CC..Hα-helixtrans-54.4-52.3-179.8-67.9169.7000110.8I41 Q46 S47 K51 W52 Q53 D152 F153 L156I41-I49 HydrophobicContact CG2-CD1 4.13Å; I41-I49 HydrophobicContact CG2-CG1 3.48Å; I41-I49 VanDerWaalsContact CG2-CG1 3.48Å; Q46-I49 HydrophobicContact CB-CD1 4.4Å; Q46-I49 WeakPolarHBondContact O-CB 3.37Å; Q46-I49 WeakPolarHBondContact O-CD1 3.34Å; Q46-I49 VanDerWaalsContact O-CG1 3.22Å; Q46-I49 WeakPolarHBondContact O-CG1 3.21Å; Q46-I49 PolarHBondContact O-N 3.14Å; Q46-I49 VanDerWaalsContact O-N 3.12Å; S47-I49 PolarHBondContact O-N 3.48Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 3.42Å; I49-W52 PolarHBondContact O-N 3.09Å; I49-Q53 VanDerWaalsContact O-CB 3.32Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.32Å; I49-D152 HydrophobicContact CG2-CB 3.95Å; I49-F153 HydrophobicContact CD1-CB 4.03Å; I49-F153 HydrophobicContact CD1-CD2 4.32Å; I49-L156 HydrophobicContact CB-CD2 4.3Å; I49-L156 HydrophobicContact CG1-CD2 4.1Å; I49-L156 HydrophobicContact CG2-CB 4.16Å; I49-L156 HydrophobicContact CG2-CD2 4.21Å
50I98.4Very high96.2Very high102 Ų10246.1 Ų46.152%0.52323%0.234SC..Hα-helixtrans-67.6-32.4-179.7-169.762000112.2D48 N54D48-I50 PolarHBondContact O-N 3.14Å; I50-N54 WeakPolarHBondContact O-CB 3.39Å; I50-N54 PolarHBondContact O-N 2.92Å; I50-N54 PolarHBondContact O-ND2 2.99Å
51K98.6Very high95.2Very high85 Ų8550.3 Ų50.337%0.3726%0.255SS..Hα-helixtrans-67.2-46.9178.2-63.1-176-179.8-173.70110.8D48 I49 N54 L55 E81 L82D48-K51 WeakPolarHBondContact O-CB 3.41Å; D48-K51 PolarHBondContact O-N 3.01Å; D48-K51 VanDerWaalsContact O-N 3.09Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 3.42Å; K51-N54 PolarHBondContact O-N 2.79Å; K51-L55 WeakPolarHBondContact O-CB 3.41Å; K51-L55 PolarHBondContact O-N 3.09Å; K51-E81 IonicContact NZ-OE1 3.47Å; K51-L82 HydrophobicContact CB-CD1 4.34Å; K51-L82 HydrophobicContact CB-CD2 3.83Å; K51-L82 HydrophobicContact CB-CG 4.47Å; K51-L82 HydrophobicContact CD-CD2 3.71Å; K51-L82 HydrophobicContact CG-CD2 4.46Å
52W98.7Very high94.1Very high0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-65.4-40.4175.5-77.7118000112.3Y36 D48 I49 N54 L55 I56 L79 L82 L83 P93 T94 F97 L156Y36-W52 HydrophobicContact CE1-CZ2 4.14Å; Y36-W52 AromaticContact CE1-NE1 3.71Å; Y36-W52 AromaticContact CZ-NE1 3.54Å; Y36-W52 PolarHBondContact OH-NE1 2.66Å; D48-W52 VanDerWaalsContact O-CD1 3.27Å; D48-W52 PolarHBondContact O-N 3.45Å; I49-W52 PolarHBondContact O-N 3.09Å; W52-N54 VanDerWaalsContact C-N 3.35Å; W52-N54 PolarHBondContact O-N 2.97Å; W52-L55 HydrophobicContact CE3-CD2 3.73Å; W52-L55 HydrophobicContact CH2-CD2 4.49Å; W52-L55 HydrophobicContact CZ3-CD2 3.56Å; W52-L55 PolarHBondContact O-N 3.44Å; W52-L55 VanDerWaalsContact O-N 3.17Å; W52-I56 WeakPolarHBondContact O-CG1 3.5Å; W52-I56 PolarHBondContact O-N 2.79Å; W52-L79 HydrophobicContact CH2-CD2 3.72Å; W52-L79 HydrophobicContact CZ3-CD2 3.66Å; W52-L82 HydrophobicContact CD2-CD1 3.83Å; W52-L82 HydrophobicContact CE3-CD1 4.07Å; W52-L82 HydrophobicContact CG-CD1 4.39Å; W52-L82 HydrophobicContact CH2-CD1 4.21Å; W52-L82 HydrophobicContact CZ2-CB 4.1Å; W52-L82 HydrophobicContact CZ2-CD1 4Å; W52-L82 HydrophobicContact CZ3-CD1 4.26Å; W52-L83 HydrophobicContact CH2-CD2 4.45Å; W52-L83 HydrophobicContact CZ2-CD2 4.11Å; W52-P93 HydrophobicContact CB-CG 4.08Å; W52-P93 HydrophobicContact CD2-CB 4.13Å; W52-P93 HydrophobicContact CD2-CG 3.13Å; W52-P93 VanDerWaalsContact CE2-CG 3.43Å; W52-P93 HydrophobicContact CE3-CB 3.96Å; W52-P93 HydrophobicContact CE3-CG 3.39Å; W52-P93 HydrophobicContact CG-CB 4.45Å; W52-P93 HydrophobicContact CG-CG 3.45Å; W52-P93 VanDerWaalsContact CG-CG 3.45Å; W52-P93 HydrophobicContact CH2-CG 4.2Å; W52-P93 HydrophobicContact CZ2-CG 3.97Å; W52-P93 HydrophobicContact CZ3-CB 4.45Å; W52-P93 HydrophobicContact CZ3-CG 3.91Å; W52-T94 HydrophobicContact CH2-CG2 3.88Å; W52-T94 HydrophobicContact CZ2-CG2 3.93Å; W52-F97 HydrophobicContact CE3-CD2 4.42Å; W52-F97 HydrophobicContact CE3-CE2 4Å; W52-F97 AromaticContact CZ3-CD2 3.81Å; W52-F97 HydrophobicContact CZ3-CD2 3.81Å; W52-F97 AromaticContact CZ3-CE2 3.81Å; W52-F97 HydrophobicContact CZ3-CE2 3.81Å; W52-F97 HydrophobicContact CZ3-CG 4.5Å; W52-F97 HydrophobicContact CZ3-CZ 4.49Å; W52-L156 HydrophobicContact CB-CD1 3.6Å; W52-L156 HydrophobicContact CB-CD2 4.38Å
53Q98.3Very high92.4Very high26 Ų2657.8 Ų57.812%0.12130%0.299CS..Hα-helixtrans-59.1-45.7175.7-171.263.754.200112I49 L55 H57 D159I49-Q53 VanDerWaalsContact O-CB 3.32Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.32Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 2.68Å; Q53-D159 PolarHBondContact NE2-OD2 2.89Å
54N97.3Very high90.5Very high82 Ų8259.6 Ų59.644%0.43931%0.314SS..Hα-helixtrans-64.6-39.2175.6-70.9-21.7000111.6I50 K51 W52 H57 D58I50-N54 WeakPolarHBondContact O-CB 3.39Å; I50-N54 PolarHBondContact O-N 2.92Å; I50-N54 PolarHBondContact O-ND2 2.99Å; K51-N54 PolarHBondContact O-N 2.79Å; W52-N54 VanDerWaalsContact C-N 3.35Å; W52-N54 PolarHBondContact O-N 2.97Å; N54-H57 PolarHBondContact O-N 3.47Å; N54-D58 WeakPolarHBondContact O-CB 3.38Å; N54-D58 VanDerWaalsContact O-CG 3.25Å; N54-D58 PolarHBondContact O-N 3.39Å
55L97.2Very high88.6Confident1 Ų160.4 Ų60.41%0.00532%0.324CS..Hα-helixtrans-66.4-42.7179.1-172.364000112.3K51 W52 Q53 D58 S59 I75 K78 L79 L82 F97K51-L55 WeakPolarHBondContact O-CB 3.41Å; K51-L55 PolarHBondContact O-N 3.09Å; W52-L55 HydrophobicContact CE3-CD2 3.73Å; W52-L55 HydrophobicContact CH2-CD2 4.49Å; W52-L55 HydrophobicContact CZ3-CD2 3.56Å; W52-L55 PolarHBondContact O-N 3.44Å; W52-L55 VanDerWaalsContact O-N 3.17Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; L55-D58 PolarHBondContact O-N 3.1Å; L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 3.32Å; L55-S59 PolarHBondContact O-OG 3.37Å; L55-I75 HydrophobicContact CD1-CB 4.18Å; L55-I75 HydrophobicContact CD1-CG1 4.2Å; L55-I75 HydrophobicContact CD1-CG2 3.81Å; L55-K78 HydrophobicContact CD1-CB 3.82Å; L55-K78 HydrophobicContact CD1-CD 3.96Å; L55-L79 HydrophobicContact CD2-CD2 3.51Å; L55-L79 HydrophobicContact CD2-CG 3.78Å; L55-L82 HydrophobicContact CD2-CD1 4.03Å; L55-F97 HydrophobicContact CD2-CE1 4.12Å; L55-F97 HydrophobicContact CD2-CZ 4.02Å; L55-F97 HydrophobicContact CG-CE1 3.99Å; L55-F97 HydrophobicContact CG-CZ 3.88Å
56I96.5Very high86.5Confident3 Ų363 Ų632%0.01535%0.348CS..Hα-helixtrans-59.6-49.4173.5-70.1165.5000109.4W52 D58 S59 H60 F97 L156 D159 S160 F163W52-I56 WeakPolarHBondContact O-CG1 3.5Å; W52-I56 PolarHBondContact O-N 2.79Å; I56-D58 PolarHBondContact O-N 2.89Å; I56-S59 WeakPolarHBondContact O-CB 3.4Å; I56-S59 PolarHBondContact O-N 3.4Å; I56-S59 VanDerWaalsContact O-N 3.14Å; I56-H60 PolarHBondContact O-CD2 2.87Å; I56-H60 PolarHBondContact O-N 3.12Å; I56-H60 VanDerWaalsContact O-N 3.14Å; I56-F97 HydrophobicContact CG1-CE2 3.91Å; I56-F97 HydrophobicContact CG1-CZ 3.9Å; I56-L156 HydrophobicContact CD1-CD1 3.92Å; I56-D159 HydrophobicContact CG2-CB 4.45Å; I56-S160 WeakPolarHBondContact CD1-OG 3.29Å; I56-F163 HydrophobicContact CG2-CB 4.05Å; I56-F163 HydrophobicContact CG2-CD2 4.27Å; I56-F163 HydrophobicContact CG2-CG 4.26Å
57H93.9Very high84.9Confident109 Ų10965 Ų6551%0.50537%0.366SS..Hα-helixtrans-56-49.4177.5179.372.2000112.9Q53 N54 S59 H60Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 2.68Å; N54-H57 PolarHBondContact O-N 3.47Å; H57-S59 PolarHBondContact O-N 2.99Å; H57-H60 PolarHBondContact O-N 2.9Å
58D92.1Very high83.4Confident55 Ų5566.2 Ų66.229%0.29437%0.366SS..Hα-helixtrans-61.8-34.2178.7-73-15.2000112.2N54 L55 I56 M61 K78N54-D58 WeakPolarHBondContact O-CB 3.38Å; N54-D58 VanDerWaalsContact O-CG 3.25Å; N54-D58 PolarHBondContact O-N 3.39Å; L55-D58 PolarHBondContact O-N 3.1Å; I56-D58 PolarHBondContact O-N 2.89Å; D58-M61 PolarHBondContact O-N 3.5Å; D58-K78 IonicContact OD2-NZ 2.64Å; D58-K78 PolarHBondContact OD2-NZ 3.22Å
59S90.4Very high82.4Confident16 Ų1667.5 Ų67.511%0.11237%0.374CS..Hα-helixtrans-69.3-36.8-179.9-57.10000112.4L55 I56 H57 M61 I62 F97L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 3.32Å; L55-S59 PolarHBondContact O-OG 3.37Å; I56-S59 WeakPolarHBondContact O-CB 3.4Å; I56-S59 PolarHBondContact O-N 3.4Å; I56-S59 VanDerWaalsContact O-N 3.14Å; H57-S59 PolarHBondContact O-N 2.99Å; S59-M61 PolarHBondContact O-N 2.97Å; S59-I62 PolarHBondContact O-N 3.45Å; S59-F97 WeakPolarHBondContact OG-CE1 3.49Å
60H83.5Confident81.5Confident77 Ų7772.7 Ų72.736%0.35641%0.407SS..Hα-helixtrans-62.8-23.3172-73.6-76.6000112.9I56 H57 I62 F163 D168I56-H60 PolarHBondContact O-CD2 2.87Å; I56-H60 PolarHBondContact O-N 3.12Å; I56-H60 VanDerWaalsContact O-N 3.14Å; H57-H60 PolarHBondContact O-N 2.9Å; H60-I62 VanDerWaalsContact C-N 3.28Å; H60-I62 PolarHBondContact O-N 3.25Å; H60-F163 AromaticContact NE2-CD2 3.76Å; H60-D168 IonicContact CE1-OD1 3.82Å; H60-D168 PolarHBondContact CE1-OD1 3.43Å; H60-D168 IonicContact ND1-OD1 2.97Å; H60-D168 PolarHBondContact ND1-OD1 3.35Å; H60-D168 IonicContact NE2-OD1 2.6Å
61M76.4Confident80.9Confident104 Ų10473.7 Ų73.751%0.51241%0.407SS..THydrogen-bonded Turntrans-85.15.1-179.6-55.6-148.795.300114.2D58 S59 K71D58-M61 PolarHBondContact O-N 3.5Å; S59-M61 PolarHBondContact O-N 2.97Å; M61-K71 PolarHBondContact O-NZ 2.99Å
62I75.1Confident80.3Confident48 Ų4870.4 Ų70.425%0.24640%0.395CS..  trans-93.599.3171.5-60.1-167.3000108.8S59 H60 K71 I75S59-I62 PolarHBondContact O-N 3.45Å; H60-I62 VanDerWaalsContact C-N 3.28Å; H60-I62 PolarHBondContact O-N 3.25Å; I62-K71 HydrophobicContact CD1-CB 4.13Å; I62-K71 HydrophobicContact CG1-CB 4.23Å; I62-I75 HydrophobicContact CD1-CD1 3.26Å; I62-I75 HydrophobicContact CD1-CG1 4.42Å; I62-I75 HydrophobicContact CG1-CD1 4.03Å
63T62.5Low79.8Confident129 Ų12974.3 Ų74.379%0.79141%0.414SS*.  trans-92-10-179.557.40000113.5
64T56Low79.5Confident77 Ų7775.1 Ų75.147%0.47243%0.426SS..  trans-114.2129.4-17150.50000111.4
65P55.7Low79.3Confident107 Ų10771.5 Ų71.570%0.69541%0.407SS*.PPolyproline II helixtrans-55.3170.9159.7-18.630.3000111.5
66P54.3Low79.2Confident121 Ų12172.8 Ų72.879%0.78641%0.412SS*.SBendtrans-46.5152-177.8-26.333000113.9
67P64.5Low79.1Confident111 Ų11176.6 Ų76.672%0.72143%0.432SS*.SBendcis-77.5161.526.729.1-35.4000114.3T69P67-T69 WeakPolarHBondContact O-CG2 3.43Å; P67-T69 PolarHBondContact O-N 3.14Å
68L64.9Low79.2Confident111 Ų11175 Ų7558%0.58142%0.424SS*.  trans-49.3106.9170-83.8154.3000109.2T72 Y76L68-T72 HydrophobicContact CD2-CG2 3.75Å; L68-Y76 HydrophobicContact CD2-CD2 4.29Å; L68-Y76 HydrophobicContact CD2-CE2 3.78Å
69T77.4Confident79.5Confident38 Ų3872.4 Ų72.423%0.23341%0.41CS..  trans-80.8159.8177700000109.3P67 K71 T72 I73P67-T69 WeakPolarHBondContact O-CG2 3.43Å; P67-T69 PolarHBondContact O-N 3.14Å; T69-K71 PolarHBondContact O-N 3.23Å; T69-K71 VanDerWaalsContact O-N 3.12Å; T69-K71 PolarHBondContact OG1-N 2.88Å; T69-T72 WeakPolarHBondContact O-CB 3.38Å; T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 PolarHBondContact OG1-N 2.87Å; T69-T72 VanDerWaalsContact OG1-N 3.14Å; T69-T72 PolarHBondContact OG1-OG1 3.37Å; T69-I73 PolarHBondContact O-N 2.94Å
70T81Confident79.8Confident125 Ų12576 Ų7677%0.76742%0.423SS*.Hα-helixtrans-52.8-32.9170.6-51.50000111.9A74T70-A74 PolarHBondContact O-N 3.38Å; T70-A74 VanDerWaalsContact O-N 3.08Å
71K84.2Confident80.4Confident122 Ų12278.3 Ų78.353%0.5343%0.434SS..Hα-helixtrans-67-45.1175.2-65.2-174.7177.3-174.20112.1M61 I62 T69 I73 A74 I75M61-K71 PolarHBondContact O-NZ 2.99Å; I62-K71 HydrophobicContact CD1-CB 4.13Å; I62-K71 HydrophobicContact CG1-CB 4.23Å; T69-K71 PolarHBondContact O-N 3.23Å; T69-K71 VanDerWaalsContact O-N 3.12Å; T69-K71 PolarHBondContact OG1-N 2.88Å; K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 PolarHBondContact O-N 3.01Å; K71-A74 WeakPolarHBondContact O-CB 3.1Å; K71-A74 PolarHBondContact O-N 2.98Å; K71-I75 WeakPolarHBondContact O-CG1 3.39Å; K71-I75 PolarHBondContact O-N 3.46Å
72T86.5Confident81.4Confident17 Ų1774 Ų7410%0.10441%0.413CS..Hα-helixtrans-61.4-43177.7-46.80000111.3L68 T69 A74 I75 Y76L68-T72 HydrophobicContact CD2-CG2 3.75Å; T69-T72 WeakPolarHBondContact O-CB 3.38Å; T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 PolarHBondContact OG1-N 2.87Å; T69-T72 VanDerWaalsContact OG1-N 3.14Å; T69-T72 PolarHBondContact OG1-OG1 3.37Å; T72-A74 VanDerWaalsContact C-N 3.32Å; T72-A74 PolarHBondContact O-N 3.5Å; T72-I75 PolarHBondContact O-N 3.34Å; T72-Y76 HydrophobicContact CG2-CD1 4.31Å; T72-Y76 HydrophobicContact CG2-CE1 3.7Å; T72-Y76 HydrophobicContact CG2-CE2 4.07Å; T72-Y76 VanDerWaalsContact O-CD1 3.3Å; T72-Y76 WeakPolarHBondContact O-CD1 3.47Å; T72-Y76 PolarHBondContact O-N 3.48Å
73I88.7Confident82.5Confident81 Ų8171.8 Ų71.842%0.41540%0.402SS..Hα-helixtrans-60.4-44.1175.9-64.9170.1000110.5T69 K71 I75 Y76 D77T69-I73 PolarHBondContact O-N 2.94Å; K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 PolarHBondContact O-N 3.01Å; I73-I75 PolarHBondContact O-N 3.43Å; I73-Y76 PolarHBondContact O-N 2.95Å; I73-Y76 VanDerWaalsContact O-N 3.1Å; I73-D77 PolarHBondContact O-N 3.39Å
74A91.5Very high84.1Confident44 Ų4470.3 Ų70.336%0.36439%0.389SS..Hα-helixtrans-62.6-38.5177.800000113.1T70 K71 T72 Y76 K78T70-A74 PolarHBondContact O-N 3.38Å; T70-A74 VanDerWaalsContact O-N 3.08Å; K71-A74 WeakPolarHBondContact O-CB 3.1Å; K71-A74 PolarHBondContact O-N 2.98Å; T72-A74 VanDerWaalsContact C-N 3.32Å; T72-A74 PolarHBondContact O-N 3.5Å; A74-Y76 VanDerWaalsContact C-N 3.33Å; A74-K78 VanDerWaalsContact O-CG 3.3Å; A74-K78 WeakPolarHBondContact O-CG 3.22Å; A74-K78 PolarHBondContact O-N 2.96Å
75I92.6Very high86Confident6 Ų668 Ų683%0.03138%0.38CS..Hα-helixtrans-62.2-43.3172.5-68.8174.8000110.2L55 I62 K71 T72 I73 D77 K78 L79L55-I75 HydrophobicContact CD1-CB 4.18Å; L55-I75 HydrophobicContact CD1-CG1 4.2Å; L55-I75 HydrophobicContact CD1-CG2 3.81Å; I62-I75 HydrophobicContact CD1-CD1 3.26Å; I62-I75 HydrophobicContact CD1-CG1 4.42Å; I62-I75 HydrophobicContact CG1-CD1 4.03Å; K71-I75 WeakPolarHBondContact O-CG1 3.39Å; K71-I75 PolarHBondContact O-N 3.46Å; T72-I75 PolarHBondContact O-N 3.34Å; I73-I75 PolarHBondContact O-N 3.43Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.89Å; I75-K78 PolarHBondContact O-N 3.17Å; I75-L79 HydrophobicContact CG2-CD1 4.07Å; I75-L79 WeakPolarHBondContact O-CG 3.22Å; I75-L79 PolarHBondContact O-N 2.89Å
76Y94.8Very high88Confident28 Ų2863.4 Ų63.411%0.1135%0.349CS..Hα-helixtrans-66-38.7-178.1-71.17000111.8L68 T72 I73 A74 L79 K80 D100 N103 I104L68-Y76 HydrophobicContact CD2-CD2 4.29Å; L68-Y76 HydrophobicContact CD2-CE2 3.78Å; T72-Y76 HydrophobicContact CG2-CD1 4.31Å; T72-Y76 HydrophobicContact CG2-CE1 3.7Å; T72-Y76 HydrophobicContact CG2-CE2 4.07Å; T72-Y76 VanDerWaalsContact O-CD1 3.3Å; T72-Y76 WeakPolarHBondContact O-CD1 3.47Å; T72-Y76 PolarHBondContact O-N 3.48Å; I73-Y76 PolarHBondContact O-N 2.95Å; I73-Y76 VanDerWaalsContact O-N 3.1Å; A74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-L79 PolarHBondContact O-N 3.05Å; Y76-K80 VanDerWaalsContact O-CG 3.29Å; Y76-K80 WeakPolarHBondContact O-CG 3.35Å; Y76-K80 PolarHBondContact O-N 3.21Å; Y76-D100 HydrophobicContact CD1-CB 4.3Å; Y76-D100 HydrophobicContact CE1-CB 3.7Å; Y76-D100 VanDerWaalsContact CE1-OD1 3.29Å; Y76-D100 WeakPolarHBondContact CE1-OD1 3.2Å; Y76-D100 PolarHBondContact OH-OD1 3.01Å; Y76-N103 HydrophobicContact CE2-CB 3.92Å; Y76-N103 PolarHBondContact OH-ND2 3.22Å; Y76-I104 HydrophobicContact CD1-CD1 3.9Å; Y76-I104 HydrophobicContact CD1-CG1 4.03Å; Y76-I104 HydrophobicContact CD2-CG1 3.81Å; Y76-I104 HydrophobicContact CE2-CG1 4.37Å; Y76-I104 HydrophobicContact CG-CD1 3.85Å; Y76-I104 HydrophobicContact CG-CG1 3.61Å
77D95.3Very high90.1Very high83 Ų8357.8 Ų57.844%0.44431%0.313SS..Hα-helixtrans-69.4-38.6176.7-67.2-22.3000111.7I73 I75 K80 E81I73-D77 PolarHBondContact O-N 3.39Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.89Å; D77-K80 PolarHBondContact O-N 2.99Å; D77-K80 IonicContact OD1-NZ 2.69Å; D77-K80 PolarHBondContact OD1-NZ 3.42Å; D77-E81 PolarHBondContact O-N 3.45Å
78K96.5Very high91.8Very high76 Ų7652.5 Ų52.533%0.3328%0.278SS..Hα-helixtrans-63.6-40.2172.3-71.8175.7-175.6-170.60112.8L55 D58 A74 I75 E81 L82L55-K78 HydrophobicContact CD1-CB 3.82Å; L55-K78 HydrophobicContact CD1-CD 3.96Å; D58-K78 IonicContact OD2-NZ 2.64Å; D58-K78 PolarHBondContact OD2-NZ 3.22Å; A74-K78 VanDerWaalsContact O-CG 3.3Å; A74-K78 WeakPolarHBondContact O-CG 3.22Å; A74-K78 PolarHBondContact O-N 2.96Å; I75-K78 PolarHBondContact O-N 3.17Å; K78-E81 PolarHBondContact O-N 2.95Å; K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 PolarHBondContact O-N 3.44Å
79L97.8Very high93.4Very high0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-62.7-43.5174.3-80.2170.4000111.5W52 L55 I75 Y76 E81 L82 L83 F97 D100 L101 I104W52-L79 HydrophobicContact CH2-CD2 3.72Å; W52-L79 HydrophobicContact CZ3-CD2 3.66Å; L55-L79 HydrophobicContact CD2-CD2 3.51Å; L55-L79 HydrophobicContact CD2-CG 3.78Å; I75-L79 HydrophobicContact CG2-CD1 4.07Å; I75-L79 WeakPolarHBondContact O-CG 3.22Å; I75-L79 PolarHBondContact O-N 2.89Å; Y76-L79 PolarHBondContact O-N 3.05Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-L83 VanDerWaalsContact O-CB 3.28Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.23Å; L79-L83 PolarHBondContact O-N 2.87Å; L79-L83 VanDerWaalsContact O-N 3.08Å; L79-F97 HydrophobicContact CD1-CD1 4.11Å; L79-F97 HydrophobicContact CD2-CB 4.31Å; L79-F97 HydrophobicContact CD2-CD1 4.17Å; L79-F97 HydrophobicContact CD2-CG 4.13Å; L79-D100 HydrophobicContact CD1-CB 3.71Å; L79-L101 HydrophobicContact CD1-CD2 4.42Å; L79-L101 HydrophobicContact CD2-CD2 4.31Å; L79-I104 HydrophobicContact CB-CD1 3.74Å; L79-I104 HydrophobicContact CD1-CD1 3.66Å; L79-I104 HydrophobicContact CG-CD1 4.36Å
80K97.3Very high94.4Very high91 Ų9145.4 Ų45.440%0.39624%0.24SC..Hα-helixtrans-62.6-40.9175-70.8168.7-168.3162.20111.9Y76 D77 L83 D84 I104Y76-K80 VanDerWaalsContact O-CG 3.29Å; Y76-K80 WeakPolarHBondContact O-CG 3.35Å; Y76-K80 PolarHBondContact O-N 3.21Å; D77-K80 PolarHBondContact O-N 2.99Å; D77-K80 IonicContact OD1-NZ 2.69Å; D77-K80 PolarHBondContact OD1-NZ 3.42Å; K80-L83 PolarHBondContact O-N 3.04Å; K80-D84 WeakPolarHBondContact O-CB 3.5Å; K80-D84 PolarHBondContact O-N 3.33Å; K80-I104 HydrophobicContact CD-CG2 4.28Å; K80-I104 HydrophobicContact CG-CG2 3.79Å
81E96.1Very high95.3Very high126 Ų12640 Ų4059%0.58921%0.206SC*.Hα-helixtrans-63.2-48.6177.3-172.7-163.7139.300111.8K51 D77 K78 L79 L83 D84K51-E81 IonicContact NZ-OE1 3.47Å; D77-E81 PolarHBondContact O-N 3.45Å; K78-E81 PolarHBondContact O-N 2.95Å; L79-E81 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 2.85Å; E81-D84 PolarHBondContact O-N 3.29Å
82L97.5Very high96Very high13 Ų1334.3 Ų34.37%0.06818%0.181CC..Hα-helixtrans-62.8-32.9179.9-83.2164.4000113.1D48 K51 W52 L55 K78 L79D48-L82 HydrophobicContact CB-CD2 4.11Å; K51-L82 HydrophobicContact CB-CD1 4.34Å; K51-L82 HydrophobicContact CB-CD2 3.83Å; K51-L82 HydrophobicContact CB-CG 4.47Å; K51-L82 HydrophobicContact CD-CD2 3.71Å; K51-L82 HydrophobicContact CG-CD2 4.46Å; W52-L82 HydrophobicContact CD2-CD1 3.83Å; W52-L82 HydrophobicContact CE3-CD1 4.07Å; W52-L82 HydrophobicContact CG-CD1 4.39Å; W52-L82 HydrophobicContact CH2-CD1 4.21Å; W52-L82 HydrophobicContact CZ2-CB 4.1Å; W52-L82 HydrophobicContact CZ2-CD1 4Å; W52-L82 HydrophobicContact CZ3-CD1 4.26Å; L55-L82 HydrophobicContact CD2-CD1 4.03Å; K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 PolarHBondContact O-N 3.44Å; L79-L82 PolarHBondContact O-N 3.19Å
83L97.9Very high96.5Very high1 Ų133.6 Ų33.61%0.00518%0.177CC..THydrogen-bonded Turntrans-105.78.9-173.2-58.4175.5000113.1I8 Y36 W52 L79 K80 E81 G85 Y86 T89 T94 L101I8-L83 HydrophobicContact CD1-CB 4.45Å; I8-L83 HydrophobicContact CG1-CB 4.48Å; Y36-L83 HydrophobicContact CD1-CD2 4.2Å; Y36-L83 HydrophobicContact CD2-CD2 3.61Å; Y36-L83 HydrophobicContact CE2-CD2 4.26Å; Y36-L83 HydrophobicContact CG-CD2 3.61Å; W52-L83 HydrophobicContact CH2-CD2 4.45Å; W52-L83 HydrophobicContact CZ2-CD2 4.11Å; L79-L83 VanDerWaalsContact O-CB 3.28Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.23Å; L79-L83 PolarHBondContact O-N 2.87Å; L79-L83 VanDerWaalsContact O-N 3.08Å; K80-L83 PolarHBondContact O-N 3.04Å; E81-L83 PolarHBondContact O-N 2.85Å; L83-G85 PolarHBondContact O-N 3.18Å; L83-Y86 PolarHBondContact O-N 3.03Å; L83-T89 HydrophobicContact CD1-CG2 3.78Å; L83-T89 HydrophobicContact CD2-CG2 3.76Å; L83-T89 HydrophobicContact CG-CG2 4.35Å; L83-T94 HydrophobicContact CD2-CG2 4.19Å; L83-L101 HydrophobicContact CD1-CD1 4.47Å; L83-L101 HydrophobicContact CD1-CD2 3.44Å; L83-L101 VanDerWaalsContact CD1-CD2 3.44Å
84D96Very high97Very high99 Ų9929.7 Ų29.753%0.52916%0.157SC..THydrogen-bonded Turntrans-60.4134.8175.7-173.549.2000110.3K80 E81 Y86K80-D84 WeakPolarHBondContact O-CB 3.5Å; K80-D84 PolarHBondContact O-N 3.33Å; E81-D84 PolarHBondContact O-N 3.29Å; D84-Y86 VanDerWaalsContact C-N 3.34Å; D84-Y86 WeakPolarHBondContact O-CD2 3.21Å; D84-Y86 PolarHBondContact O-N 3.11Å
85G96Very high97.3Very high28 Ų2827.6 Ų27.629%0.28914%0.14SC..THydrogen-bonded Turntrans85.9-7.3-178.200000115.6T6 P34 L83T6-G85 WeakPolarHBondContact CB-O 3.42Å; P34-G85 VanDerWaalsContact CG-O 3.31Å; P34-G85 WeakPolarHBondContact CG-O 3.36Å; L83-G85 PolarHBondContact O-N 3.18Å
86Y98.3Very high97.6Very high11 Ų1127.9 Ų27.94%0.04314%0.144CC..  trans-95.6141.6178.6-65.2-90000112.9T6 T7 I8 P34 Y36 E40 K45 L83 D84T6-Y86 VanDerWaalsContact CG2-C 3.43Å; T6-Y86 WeakPolarHBondContact CG2-O 3.47Å; T7-Y86 CarbonylContact C-O 3.54Å; I8-Y86 VanDerWaalsContact CD1-O 3.29Å; I8-Y86 WeakPolarHBondContact CD1-O 3.28Å; I8-Y86 PolarHBondContact N-O 3.46Å; P34-Y86 HydrophobicContact CB-CD1 3.76Å; P34-Y86 HydrophobicContact CB-CE1 3.97Å; P34-Y86 HydrophobicContact CG-CD1 4.03Å; P34-Y86 HydrophobicContact CG-CE1 4.44Å; P34-Y86 WeakPolarHBondContact O-CA 3.44Å; P34-Y86 WeakPolarHBondContact O-CD1 3.42Å; Y36-Y86 HydrophobicContact CD2-CD1 4.26Å; Y36-Y86 AromaticContact CD2-CD2 3.82Å; Y36-Y86 HydrophobicContact CD2-CD2 3.82Å; Y36-Y86 AromaticContact CD2-CE1 3.86Å; Y36-Y86 HydrophobicContact CD2-CE1 3.86Å; Y36-Y86 AromaticContact CD2-CE2 3.37Å; Y36-Y86 HydrophobicContact CD2-CE2 3.37Å; Y36-Y86 HydrophobicContact CD2-CG 4.2Å; Y36-Y86 AromaticContact CD2-CZ 3.32Å; Y36-Y86 WeakPolarHBondContact CD2-OH 3.24Å; Y36-Y86 AromaticContact CE2-CE2 3.92Å; Y36-Y86 HydrophobicContact CE2-CE2 3.92Å; Y36-Y86 AromaticContact CE2-CZ 3.91Å; Y36-Y86 HydrophobicContact CG-CE1 4.35Å; Y36-Y86 HydrophobicContact CG-CE2 4.46Å; Y36-Y86 VanDerWaalsContact N-CD1 3.28Å; E40-Y86 HydrophobicContact CG-CE1 3.99Å; E40-Y86 PolarHBondContact OE2-OH 2.94Å; K45-Y86 WeakPolarHBondContact CD-OH 3.46Å; K45-Y86 WeakPolarHBondContact CE-OH 3.26Å; K45-Y86 PolarHBondContact NZ-OH 3.48Å; L83-Y86 PolarHBondContact O-N 3.03Å; D84-Y86 VanDerWaalsContact C-N 3.34Å; D84-Y86 WeakPolarHBondContact O-CD2 3.21Å; D84-Y86 PolarHBondContact O-N 3.11Å
87I98.4Very high97.8Very high3 Ų326.6 Ų26.62%0.01514%0.139CC..SBendtrans-88-23.1176.2-165.659.9000112.2T6 T7 I8 Q9 V10 Y31 K33 P34T6-I87 HydrophobicContact CG2-CB 3.84Å; T6-I87 HydrophobicContact CG2-CD1 3.94Å; T6-I87 HydrophobicContact CG2-CG1 4.47Å; T7-I87 WeakPolarHBondContact O-CD1 3.5Å; I8-I87 WeakPolarHBondContact CA-O 3.21Å; Q9-I87 HydrophobicContact CB-CD1 4Å; Q9-I87 HydrophobicContact CB-CG1 4.43Å; Q9-I87 HydrophobicContact CG-CD1 3.63Å; Q9-I87 PolarHBondContact N-O 2.98Å; V10-I87 PolarHBondContact N-O 3.24Å; Y31-I87 HydrophobicContact CD1-CG1 4Å; Y31-I87 HydrophobicContact CD2-CG1 4.13Å; Y31-I87 HydrophobicContact CD2-CG2 4.28Å; Y31-I87 HydrophobicContact CG-CG1 3.74Å; Y31-I87 HydrophobicContact CG-CG2 4.28Å; K33-I87 HydrophobicContact CB-CB 3.75Å; K33-I87 HydrophobicContact CB-CG1 4.4Å; K33-I87 HydrophobicContact CB-CG2 3.77Å; K33-I87 HydrophobicContact CD-CB 4.4Å; K33-I87 HydrophobicContact CD-CD1 4.32Å; K33-I87 WeakPolarHBondContact O-CG2 3.28Å; P34-I87 WeakPolarHBondContact O-CG2 3.4Å; P34-I87 PolarHBondContact O-N 2.92Å
88A98.9Very high97.9Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-151.4162.8-176.100000112.5V10 L27 C35 Y36V10-A88 HydrophobicContact CB-CB 3.87Å; V10-A88 CarbonylContact O-C 3.6Å; V10-A88 WeakPolarHBondContact O-CA 3.46Å; V10-A88 WeakPolarHBondContact O-CB 3.49Å; L27-A88 HydrophobicContact CB-CB 4.44Å; L27-A88 HydrophobicContact CD1-CB 3.76Å; C35-A88 CarbonylContact C-O 3.55Å; C35-A88 WeakPolarHBondContact CA-O 3.32Å; C35-A88 HydrophobicContact CB-CB 4.11Å; Y36-A88 PolarHBondContact N-O 2.83Å
89T98.8Very high97.9Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-126.6148.2169.6700000111.5I8 V10 S12 Y36 L83 T94 L101I8-T89 HydrophobicContact CD1-CG2 3.71Å; I8-T89 HydrophobicContact CG1-CG2 4.48Å; V10-T89 PolarHBondContact O-N 2.85Å; S12-T89 WeakPolarHBondContact CA-O 3.33Å; S12-T89 WeakPolarHBondContact CB-O 3.26Å; S12-T89 PolarHBondContact N-O 3.05Å; Y36-T89 CarbonylContact O-C 3.5Å; Y36-T89 WeakPolarHBondContact O-CA 3.11Å; L83-T89 HydrophobicContact CD1-CG2 3.78Å; L83-T89 HydrophobicContact CD2-CG2 3.76Å; L83-T89 HydrophobicContact CG-CG2 4.35Å; T89-T94 WeakPolarHBondContact CB-OG1 3.15Å; T89-T94 HydrophobicContact CG2-CG2 4.1Å; T89-L101 HydrophobicContact CG2-CD1 4.42Å
90T98.8Very high97.8Very high0 Ų024.3 Ų24.30%013%0.126CC..  trans-147.2157.5176.454.10000110.1L23 L27 Y36 H37 T94L23-T90 HydrophobicContact CB-CG2 4.44Å; L23-T90 HydrophobicContact CD2-CG2 4.1Å; L23-T90 HydrophobicContact CG-CG2 4.1Å; L27-T90 HydrophobicContact CD1-CG2 4.24Å; Y36-T90 PolarHBondContact O-N 2.89Å; Y36-T90 PolarHBondContact O-OG1 3.25Å; Y36-T90 VanDerWaalsContact O-OG1 3.08Å; H37-T90 WeakPolarHBondContact CA-O 3.44Å; H37-T90 WeakPolarHBondContact CB-OG1 3.39Å; H37-T90 PolarHBondContact CD2-OG1 3.28Å; T90-T94 PolarHBondContact O-OG1 2.66Å
91D98.7Very high97.8Very high11 Ų1120 Ų206%0.05911%0.108CC..SBendtrans64.3-175.8172.9-157.719.9000114.5P16 T20 H37 M38 T94 C95P16-D91 WeakPolarHBondContact CA-OD1 3.26Å; P16-D91 WeakPolarHBondContact CB-OD1 3.18Å; T20-D91 HydrophobicContact CG2-CB 4.29Å; H37-D91 IonicContact CE1-OD2 3.22Å; H37-D91 PolarHBondContact CE1-OD2 2.86Å; H37-D91 IonicContact ND1-OD2 2.87Å; H37-D91 PolarHBondContact ND1-OD2 3.42Å; H37-D91 IonicContact NE2-OD2 2.69Å; H37-D91 PolarHBondContact NE2-OD2 3.3Å; M38-D91 WeakPolarHBondContact CB-OD2 3.37Å; D91-T94 PolarHBondContact O-N 2.93Å; D91-T94 VanDerWaalsContact O-N 3.11Å; D91-T94 PolarHBondContact O-OG1 3.25Å; D91-C95 PolarHBondContact O-N 3.5Å
92L98.7Very high97.9Very high3 Ų314.8 Ų14.82%0.0168%0.084CC..THydrogen-bonded Turntrans-63.7150.7169.8-60.2173.7000111.4P16 M38 T94 C95 T157 L161P16-L92 HydrophobicContact CG-CD1 3.83Å; P16-L92 HydrophobicContact CG-CG 4.04Å; M38-L92 HydrophobicContact CE-CB 3.57Å; M38-L92 PolarHBondContact N-O 3.35Å; L92-T94 VanDerWaalsContact C-N 3.3Å; L92-C95 VanDerWaalsContact CD2-SG 3.58Å; L92-T157 HydrophobicContact CD1-CG2 4.17Å; L92-L161 HydrophobicContact CD1-CD2 4.03Å; L92-L161 HydrophobicContact CD1-CG 3.9Å; L92-L161 HydrophobicContact CD2-CD2 4.17Å; L92-L161 HydrophobicContact CD2-CG 4.45Å
93P98.5Very high97.8Very high1 Ų119.1 Ų19.11%0.00611%0.107CC..THydrogen-bonded Turncis-79.5-11.4-9.730.3-33.1000113I41 W52 C95 G96 S160I41-P93 HydrophobicContact CD1-CG 4.44Å; W52-P93 HydrophobicContact CB-CG 4.08Å; W52-P93 HydrophobicContact CD2-CB 4.13Å; W52-P93 HydrophobicContact CD2-CG 3.13Å; W52-P93 VanDerWaalsContact CE2-CG 3.43Å; W52-P93 HydrophobicContact CE3-CB 3.96Å; W52-P93 HydrophobicContact CE3-CG 3.39Å; W52-P93 HydrophobicContact CG-CB 4.45Å; W52-P93 HydrophobicContact CG-CG 3.45Å; W52-P93 VanDerWaalsContact CG-CG 3.45Å; W52-P93 HydrophobicContact CH2-CG 4.2Å; W52-P93 HydrophobicContact CZ2-CG 3.97Å; W52-P93 HydrophobicContact CZ3-CB 4.45Å; W52-P93 HydrophobicContact CZ3-CG 3.91Å; P93-C95 VanDerWaalsContact C-N 3.28Å; P93-C95 PolarHBondContact O-N 3.42Å; P93-G96 PolarHBondContact O-N 2.84Å; P93-S160 WeakPolarHBondContact CB-OG 3.43Å
94T98.7Very high97.7Very high0 Ų020.2 Ų20.20%011%0.113CC..G310 helixtrans-61.9-30.1-166.4670000114.4Y36 W52 L83 T89 T90 D91 L92 G96 F97Y36-T94 HydrophobicContact CD1-CG2 3.96Å; W52-T94 HydrophobicContact CH2-CG2 3.88Å; W52-T94 HydrophobicContact CZ2-CG2 3.93Å; L83-T94 HydrophobicContact CD2-CG2 4.19Å; T89-T94 WeakPolarHBondContact CB-OG1 3.15Å; T89-T94 HydrophobicContact CG2-CG2 4.1Å; T90-T94 PolarHBondContact O-OG1 2.66Å; D91-T94 PolarHBondContact O-N 2.93Å; D91-T94 VanDerWaalsContact O-N 3.11Å; D91-T94 PolarHBondContact O-OG1 3.25Å; L92-T94 VanDerWaalsContact C-N 3.3Å; T94-G96 VanDerWaalsContact C-N 3.25Å; T94-G96 PolarHBondContact O-N 3.26Å; T94-F97 PolarHBondContact O-N 2.89Å
95C98.7Very high97.7Very high0 Ų016.8 Ų16.80%09%0.092CC..G310 helixtrans-61.1-33.6179.966.70000112.5G14 D91 L92 P93 F97 Y98 Y185G14-C95 VanDerWaalsContact O-CB 3.26Å; G14-C95 WeakPolarHBondContact O-CB 3.23Å; D91-C95 PolarHBondContact O-N 3.5Å; L92-C95 VanDerWaalsContact CD2-SG 3.58Å; P93-C95 VanDerWaalsContact C-N 3.28Å; P93-C95 PolarHBondContact O-N 3.42Å; C95-F97 VanDerWaalsContact C-N 3.27Å; C95-F97 PolarHBondContact O-N 3.39Å; C95-Y98 VanDerWaalsContact O-CD1 3.23Å; C95-Y98 WeakPolarHBondContact O-CD1 3.49Å; C95-Y98 PolarHBondContact O-N 2.83Å; C95-Y185 PolarHBondContact O-OH 2.87Å
96G97.9Very high97.7Very high12 Ų1219 Ų1912%0.12410%0.102CC..G310 helixtrans-68.5-24.9174.700000113.7P93 T94 F163P93-G96 PolarHBondContact O-N 2.84Å; T94-G96 VanDerWaalsContact C-N 3.25Å; T94-G96 PolarHBondContact O-N 3.26Å; G96-F163 WeakPolarHBondContact O-CE1 3.37Å
97F98.1Very high97.6Very high0 Ų026 Ų260%014%0.14CC..G310 helixtrans-92.111.6-179.1-71.6-83.8000113.7W52 L55 I56 S59 L79 T94 C95 K99 D100 L101 F163W52-F97 HydrophobicContact CE3-CD2 4.42Å; W52-F97 HydrophobicContact CE3-CE2 4Å; W52-F97 AromaticContact CZ3-CD2 3.81Å; W52-F97 HydrophobicContact CZ3-CD2 3.81Å; W52-F97 AromaticContact CZ3-CE2 3.81Å; W52-F97 HydrophobicContact CZ3-CE2 3.81Å; W52-F97 HydrophobicContact CZ3-CG 4.5Å; W52-F97 HydrophobicContact CZ3-CZ 4.49Å; L55-F97 HydrophobicContact CD2-CE1 4.12Å; L55-F97 HydrophobicContact CD2-CZ 4.02Å; L55-F97 HydrophobicContact CG-CE1 3.99Å; L55-F97 HydrophobicContact CG-CZ 3.88Å; I56-F97 HydrophobicContact CG1-CE2 3.91Å; I56-F97 HydrophobicContact CG1-CZ 3.9Å; S59-F97 WeakPolarHBondContact OG-CE1 3.49Å; L79-F97 HydrophobicContact CD1-CD1 4.11Å; L79-F97 HydrophobicContact CD2-CB 4.31Å; L79-F97 HydrophobicContact CD2-CD1 4.17Å; L79-F97 HydrophobicContact CD2-CG 4.13Å; T94-F97 PolarHBondContact O-N 2.89Å; C95-F97 VanDerWaalsContact C-N 3.27Å; C95-F97 PolarHBondContact O-N 3.39Å; F97-K99 PolarHBondContact O-N 3.47Å; F97-K99 VanDerWaalsContact O-N 3.09Å; F97-D100 PolarHBondContact O-N 3.19Å; F97-L101 HydrophobicContact CB-CD1 4.39Å; F97-L101 HydrophobicContact CB-CG 4.32Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.47Å; F97-F163 AromaticContact CD1-CE1 3.75Å; F97-F163 HydrophobicContact CD1-CE1 3.75Å; F97-F163 AromaticContact CD1-CZ 3.98Å; F97-F163 HydrophobicContact CD1-CZ 3.98Å; F97-F163 HydrophobicContact CD2-CD1 4.27Å; F97-F163 AromaticContact CD2-CE1 3.78Å; F97-F163 HydrophobicContact CD2-CE1 3.78Å; F97-F163 AromaticContact CE1-CE1 3.63Å; F97-F163 HydrophobicContact CE1-CE1 3.63Å; F97-F163 AromaticContact CE1-CZ 3.65Å; F97-F163 HydrophobicContact CE1-CZ 3.65Å; F97-F163 AromaticContact CE2-CD1 3.94Å; F97-F163 HydrophobicContact CE2-CD1 3.94Å; F97-F163 AromaticContact CE2-CE1 3.64Å; F97-F163 HydrophobicContact CE2-CE1 3.64Å; F97-F163 HydrophobicContact CE2-CZ 4.4Å; F97-F163 AromaticContact CG-CE1 3.84Å; F97-F163 HydrophobicContact CG-CE1 3.84Å; F97-F163 HydrophobicContact CZ-CD1 4.13Å; F97-F163 AromaticContact CZ-CE1 3.57Å; F97-F163 HydrophobicContact CZ-CE1 3.57Å; F97-F163 AromaticContact CZ-CZ 3.87Å; F97-F163 HydrophobicContact CZ-CZ 3.87Å
98Y98.3Very high97.6Very high5 Ų526 Ų262%0.0214%0.14CC..Hα-helixtrans-54.9-35.5-173.675.4-84.4000113.5A13 C95 M102 V189 T192 V193A13-Y98 HydrophobicContact CB-CD1 4.44Å; A13-Y98 HydrophobicContact CB-CG 4.08Å; C95-Y98 VanDerWaalsContact O-CD1 3.23Å; C95-Y98 WeakPolarHBondContact O-CD1 3.49Å; C95-Y98 PolarHBondContact O-N 2.83Å; Y98-M102 HydrophobicContact CD2-SD 4.16Å; Y98-M102 WeakPolarHBondContact O-CB 3.1Å; Y98-M102 WeakPolarHBondContact O-CG 3.39Å; Y98-M102 PolarHBondContact O-N 3.09Å; Y98-V189 HydrophobicContact CD1-CG2 4.42Å; Y98-V189 HydrophobicContact CE1-CG2 3.85Å; Y98-V189 HydrophobicContact CE2-CG2 4.35Å; Y98-T192 HydrophobicContact CE2-CG2 4.06Å; Y98-T192 PolarHBondContact OH-OG1 3.27Å; Y98-V193 HydrophobicContact CD2-CG2 3.92Å; Y98-V193 HydrophobicContact CE2-CG2 3.8Å
99K96Very high97.6Very high70 Ų7029 Ų2930%0.30415%0.153SC..Hα-helixtrans-65.6-45.9177.6-59.4-177.4-170.2178.30111.6F97 M102 N103 T192F97-K99 PolarHBondContact O-N 3.47Å; F97-K99 VanDerWaalsContact O-N 3.09Å; K99-M102 PolarHBondContact O-N 2.9Å; K99-N103 PolarHBondContact O-N 3.5Å; K99-N103 VanDerWaalsContact O-N 3.14Å; K99-N103 PolarHBondContact O-ND2 3.11Å; K99-T192 HydrophobicContact CD-CG2 4.18Å; K99-T192 HydrophobicContact CG-CG2 4.13Å
100D95.7Very high97.6Very high36 Ų3629 Ų2919%0.19315%0.153CC..Hα-helixtrans-66.5-43.3178.1-59.2-62.3000110.9Y76 L79 F97 M102 N103 I104Y76-D100 HydrophobicContact CD1-CB 4.3Å; Y76-D100 HydrophobicContact CE1-CB 3.7Å; Y76-D100 VanDerWaalsContact CE1-OD1 3.29Å; Y76-D100 WeakPolarHBondContact CE1-OD1 3.2Å; Y76-D100 PolarHBondContact OH-OD1 3.01Å; L79-D100 HydrophobicContact CD1-CB 3.71Å; F97-D100 PolarHBondContact O-N 3.19Å; D100-M102 VanDerWaalsContact C-N 3.31Å; D100-M102 PolarHBondContact O-N 3.47Å; D100-N103 WeakPolarHBondContact O-CB 3.46Å; D100-N103 PolarHBondContact O-N 3.08Å; D100-N103 VanDerWaalsContact O-N 3.09Å; D100-I104 VanDerWaalsContact O-CG1 3.27Å; D100-I104 WeakPolarHBondContact O-CG1 3.41Å; D100-I104 PolarHBondContact O-N 3.35Å
101L98.1Very high97.6Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-62-37.8175.5-65.4175000112I11 L79 L83 T89 F97 N103 I104 Y105I11-L101 VanDerWaalsContact CD1-C 3.49Å; I11-L101 HydrophobicContact CD1-CB 3.59Å; I11-L101 HydrophobicContact CG1-CB 3.97Å; I11-L101 HydrophobicContact CG2-CB 4.15Å; I11-L101 HydrophobicContact CG2-CD1 4Å; L79-L101 HydrophobicContact CD1-CD2 4.42Å; L79-L101 HydrophobicContact CD2-CD2 4.31Å; L83-L101 HydrophobicContact CD1-CD1 4.47Å; L83-L101 HydrophobicContact CD1-CD2 3.44Å; L83-L101 VanDerWaalsContact CD1-CD2 3.44Å; T89-L101 HydrophobicContact CG2-CD1 4.42Å; F97-L101 HydrophobicContact CB-CD1 4.39Å; F97-L101 HydrophobicContact CB-CG 4.32Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.47Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 2.86Å; L101-I104 PolarHBondContact O-N 2.94Å; L101-Y105 HydrophobicContact CD2-CD2 4.38Å; L101-Y105 HydrophobicContact CD2-CE2 4.07Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.45Å; L101-Y105 PolarHBondContact O-N 2.91Å
102M97.5Very high97.6Very high18 Ų1828.4 Ų28.49%0.08915%0.15CC..Hα-helixtrans-65.5-32.8174-78172.561.700113I11 Y98 K99 D100 Y105 P106 V110 V193I11-M102 HydrophobicContact CD1-CG 4.11Å; Y98-M102 HydrophobicContact CD2-SD 4.16Å; Y98-M102 WeakPolarHBondContact O-CB 3.1Å; Y98-M102 WeakPolarHBondContact O-CG 3.39Å; Y98-M102 PolarHBondContact O-N 3.09Å; K99-M102 PolarHBondContact O-N 2.9Å; D100-M102 VanDerWaalsContact C-N 3.31Å; D100-M102 PolarHBondContact O-N 3.47Å; M102-Y105 CarbonylContact O-C 3.59Å; M102-P106 VanDerWaalsContact O-CA 3.29Å; M102-P106 WeakPolarHBondContact O-CA 3.31Å; M102-V110 HydrophobicContact CG-CG2 3.79Å; M102-V110 HydrophobicContact SD-CG2 3.85Å; M102-V193 HydrophobicContact CE-CB 4.47Å; M102-V193 HydrophobicContact CE-CG1 4.03Å; M102-V193 HydrophobicContact CE-CG2 4.43Å; M102-V193 HydrophobicContact SD-CB 4.4Å; M102-V193 HydrophobicContact SD-CG1 4.08Å; M102-V193 HydrophobicContact SD-CG2 3.79Å
103N94.9Very high97.6Very high103 Ų10328.5 Ų28.555%0.55115%0.151SC*.Hα-helixtrans-73.7-38.5175.3-70.5-27000111.6Y76 K99 D100 L101Y76-N103 HydrophobicContact CE2-CB 3.92Å; Y76-N103 PolarHBondContact OH-ND2 3.22Å; K99-N103 PolarHBondContact O-N 3.5Å; K99-N103 VanDerWaalsContact O-N 3.14Å; K99-N103 PolarHBondContact O-ND2 3.11Å; D100-N103 WeakPolarHBondContact O-CB 3.46Å; D100-N103 PolarHBondContact O-N 3.08Å; D100-N103 VanDerWaalsContact O-N 3.09Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 2.86Å
104I96.1Very high97.6Very high25 Ų2529.3 Ų29.313%0.12816%0.155CC..Hα-helixtrans-69.7-41.7176.7-63.6163.6000110.9Y76 L79 K80 D100 L101 P106Y76-I104 HydrophobicContact CD1-CD1 3.9Å; Y76-I104 HydrophobicContact CD1-CG1 4.03Å; Y76-I104 HydrophobicContact CD2-CG1 3.81Å; Y76-I104 HydrophobicContact CE2-CG1 4.37Å; Y76-I104 HydrophobicContact CG-CD1 3.85Å; Y76-I104 HydrophobicContact CG-CG1 3.61Å; L79-I104 HydrophobicContact CB-CD1 3.74Å; L79-I104 HydrophobicContact CD1-CD1 3.66Å; L79-I104 HydrophobicContact CG-CD1 4.36Å; K80-I104 HydrophobicContact CD-CG2 4.28Å; K80-I104 HydrophobicContact CG-CG2 3.79Å; D100-I104 VanDerWaalsContact O-CG1 3.27Å; D100-I104 WeakPolarHBondContact O-CG1 3.41Å; D100-I104 PolarHBondContact O-N 3.35Å; L101-I104 PolarHBondContact O-N 2.94Å; I104-P106 VanDerWaalsContact O-CD 3.31Å; I104-P106 WeakPolarHBondContact O-CD 3.17Å
105Y96.9Very high97.6Very high27 Ų2732.1 Ų32.111%0.10617%0.165CC..  trans-120.574.9-175.8-51.5-72.1000110.3T7 I8 L101 M102 N107 A108 R197T7-Y105 WeakPolarHBondContact OG1-CD1 3.4Å; T7-Y105 VanDerWaalsContact OG1-CE1 3.31Å; T7-Y105 WeakPolarHBondContact OG1-CE1 3.44Å; I8-Y105 HydrophobicContact CB-CD1 4.12Å; I8-Y105 HydrophobicContact CB-CD2 3.71Å; I8-Y105 HydrophobicContact CB-CE1 4.14Å; I8-Y105 HydrophobicContact CB-CE2 3.73Å; I8-Y105 HydrophobicContact CB-CG 3.9Å; I8-Y105 HydrophobicContact CG1-CD2 4.16Å; I8-Y105 HydrophobicContact CG1-CE1 4.4Å; I8-Y105 HydrophobicContact CG1-CE2 3.66Å; I8-Y105 HydrophobicContact CG2-CD2 4.09Å; I8-Y105 HydrophobicContact CG2-CE2 4.44Å; I8-Y105 HydrophobicContact CG2-CG 4.41Å; L101-Y105 HydrophobicContact CD2-CD2 4.38Å; L101-Y105 HydrophobicContact CD2-CE2 4.07Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.45Å; L101-Y105 PolarHBondContact O-N 2.91Å; M102-Y105 CarbonylContact O-C 3.59Å; Y105-N107 PolarHBondContact O-N 3.41Å; Y105-N107 VanDerWaalsContact O-N 3.13Å; Y105-A108 WeakPolarHBondContact O-CB 3.38Å; Y105-A108 PolarHBondContact O-N 3.47Å; Y105-R197 PolarHBondContact O-NH2 3.04Å
106P96.4Very high97.6Very high75 Ų7535.9 Ų35.949%0.48719%0.186SC..THydrogen-bonded Turntrans-64.9-20.6-172.925.2-35.5000114.3M102 I104 R197M102-P106 VanDerWaalsContact O-CA 3.29Å; M102-P106 WeakPolarHBondContact O-CA 3.31Å; I104-P106 VanDerWaalsContact O-CD 3.31Å; I104-P106 WeakPolarHBondContact O-CD 3.17Å; P106-R197 PolarHBondContact O-NE 3.47Å; P106-R197 PolarHBondContact O-NH1 2.77Å; P106-R197 PolarHBondContact O-NH2 3.39Å
107N95.9Very high97.6Very high157 Ų15737.9 Ų37.984%0.8419%0.191SC*.THydrogen-bonded Turntrans-94.3-6.3177.5-61.9-31.9000113.3Y105Y105-N107 PolarHBondContact O-N 3.41Å; Y105-N107 VanDerWaalsContact O-N 3.13Å
108A98.4Very high97.6Very high2 Ų244.4 Ų44.42%0.01722%0.217CC..  trans-67.6139.2178.400000110.4I8 Q9 I11 Y105 R197I8-A108 HydrophobicContact CG2-CB 4.5Å; Q9-A108 CarbonylContact O-C 3.39Å; Q9-A108 WeakPolarHBondContact O-CA 3.48Å; Q9-A108 WeakPolarHBondContact O-CB 3.32Å; I11-A108 HydrophobicContact CD1-CB 3.73Å; I11-A108 HydrophobicContact CG1-CB 4.02Å; Y105-A108 WeakPolarHBondContact O-CB 3.38Å; Y105-A108 PolarHBondContact O-N 3.47Å; A108-R197 PolarHBondContact O-NE 3.15Å; A108-R197 PolarHBondContact O-NH2 2.98Å
109K98.7Very high97.7Very high63 Ų6348.4 Ų48.427%0.27424%0.238SC..EExtended strand (participates in β ladder)trans-81148.9171.7-73.5178.5-178.7169.60109.7Q9 V10 I11 F213 L214Q9-K109 PolarHBondContact O-N 3.43Å; V10-K109 WeakPolarHBondContact CA-O 3.43Å; I11-K109 PolarHBondContact N-O 2.93Å; K109-F213 HydrophobicContact CB-CE1 3.67Å; K109-F213 HydrophobicContact CB-CZ 3.98Å; K109-F213 HydrophobicContact CD-CD1 4.23Å; K109-F213 HydrophobicContact CD-CE1 3.96Å; K109-F213 HydrophobicContact CD-CZ 4.16Å; K109-F213 WeakPolarHBondContact CD-O 3.48Å; K109-F213 WeakPolarHBondContact CE-O 3.27Å; K109-F213 HydrophobicContact CG-CE1 4.12Å; K109-F213 HydrophobicContact CG-CZ 4.12Å; K109-F213 PolarHBondContact NZ-O 3.36Å; K109-L214 HydrophobicContact CB-CD2 4.17Å; K109-L214 HydrophobicContact CD-CD2 3.84Å; K109-L214 VanDerWaalsContact NZ-C 3.32Å; K109-L214 PolarHBondContact NZ-O 2.95Å; K109-L214 VanDerWaalsContact NZ-O 3.1Å
110V98.9Very high97.8Very high0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-111.6132.3-178.1-173.30000110.2I11 A13 M102 V193 R197 L198 L199I11-V110 CarbonylContact O-C 3.52Å; I11-V110 WeakPolarHBondContact O-CA 3.47Å; A13-V110 HydrophobicContact CB-CG1 4.41Å; M102-V110 HydrophobicContact CG-CG2 3.79Å; M102-V110 HydrophobicContact SD-CG2 3.85Å; V110-V193 HydrophobicContact CB-CG1 3.79Å; V110-V193 HydrophobicContact CG1-CG1 4.13Å; V110-V193 HydrophobicContact CG1-CG2 4.15Å; V110-V193 HydrophobicContact CG2-CG1 3.8Å; V110-R197 WeakPolarHBondContact CA-O 3.46Å; V110-R197 WeakPolarHBondContact CB-O 3.41Å; V110-R197 PolarHBondContact N-O 2.85Å; V110-L198 HydrophobicContact CB-CD1 4.23Å; V110-L198 HydrophobicContact CG1-CD1 3.97Å; V110-L198 WeakPolarHBondContact O-CA 3.36Å; V110-L199 PolarHBondContact O-N 3.48Å
111L98.9Very high97.9Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-114.7132.6176.1-60-179.5000110V10 I11 S12 A13 L23 L27 L199 L201 L210 F213V10-L111 HydrophobicContact CG1-CD1 3.5Å; V10-L111 VanDerWaalsContact CG1-CD1 3.5Å; V10-L111 HydrophobicContact CG1-CG 3.79Å; I11-L111 PolarHBondContact O-N 3.33Å; S12-L111 CarbonylContact C-O 3.55Å; S12-L111 WeakPolarHBondContact CA-O 3.3Å; S12-L111 PolarHBondContact OG-O 2.7Å; A13-L111 PolarHBondContact N-O 3.44Å; L23-L111 HydrophobicContact CD1-CD1 3.75Å; L23-L111 HydrophobicContact CD2-CB 4.16Å; L23-L111 HydrophobicContact CD2-CD1 3.8Å; L23-L111 HydrophobicContact CG-CD1 4.29Å; L27-L111 HydrophobicContact CD1-CD1 4.5Å; L27-L111 HydrophobicContact CD2-CD1 4.37Å; L111-L199 WeakPolarHBondContact CA-O 3.49Å; L111-L199 HydrophobicContact CD2-CB 3.79Å; L111-L199 HydrophobicContact CD2-CD2 3.99Å; L111-L199 HydrophobicContact CD2-CG 4.37Å; L111-L201 HydrophobicContact CD1-CD1 4.35Å; L111-L201 HydrophobicContact CD2-CD1 4.25Å; L111-L210 HydrophobicContact CD1-CD1 3.62Å; L111-L210 HydrophobicContact CD2-CD1 4.2Å; L111-F213 HydrophobicContact CD2-CD1 3.69Å; L111-F213 HydrophobicContact CD2-CE1 3.67Å
112L98.9Very high97.9Very high0 Ų048.7 Ų48.70%024%0.24CC..EExtended strand (participates in β ladder)trans-117105.1171.2178.861.9000109.3A13 I114 Y185 V189 Q190 L198 L199 V200 L201A13-L112 HydrophobicContact CB-CD1 4.32Å; L112-I114 HydrophobicContact CD2-CG2 4.19Å; L112-I114 HydrophobicContact CG-CG2 3.89Å; L112-Y185 HydrophobicContact CD1-CE1 4.5Å; L112-V189 HydrophobicContact CB-CG1 4.35Å; L112-V189 HydrophobicContact CD1-CB 4.41Å; L112-V189 HydrophobicContact CD1-CG1 4.12Å; L112-V189 HydrophobicContact CD2-CB 4.09Å; L112-V189 HydrophobicContact CD2-CG1 3.91Å; L112-V189 HydrophobicContact CG-CG1 4.34Å; L112-Q190 HydrophobicContact CD2-CG 3.79Å; L112-L198 HydrophobicContact CB-CD1 4.05Å; L112-L199 PolarHBondContact N-O 3.44Å; L112-V200 HydrophobicContact CB-CG2 4.46Å; L112-V200 HydrophobicContact CD2-CG2 4.39Å; L112-V200 CarbonylContact O-C 3.53Å; L112-V200 WeakPolarHBondContact O-CA 3.46Å; L112-L201 PolarHBondContact O-N 2.87Å
113T98.8Very high98Very high5 Ų547.9 Ų47.93%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-81.4128173.450.60000110.5G14 T18 L23 L201G14-T113 WeakPolarHBondContact CA-OG1 3.31Å; T18-T113 WeakPolarHBondContact CB-O 3.29Å; T18-T113 WeakPolarHBondContact O-CB 3.42Å; T18-T113 WeakPolarHBondContact OG1-CB 3.38Å; T18-T113 PolarHBondContact OG1-O 3.1Å; T18-T113 PolarHBondContact OG1-OG1 3.41Å; L23-T113 HydrophobicContact CB-CG2 4.46Å; L23-T113 HydrophobicContact CD2-CG2 3.67Å; T113-L201 CarbonylContact C-O 3.39Å; T113-L201 WeakPolarHBondContact CA-O 3.41Å; T113-L201 HydrophobicContact CG2-CB 4.23Å
114I98.7Very high98.2Very high18 Ų1843 Ų439%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-129.8154.818063.6169000111.2L112 V200 L201 R202 L203L112-I114 HydrophobicContact CD2-CG2 4.19Å; L112-I114 HydrophobicContact CG-CG2 3.89Å; I114-V200 HydrophobicContact CD1-CG1 3.4Å; I114-V200 HydrophobicContact CG1-CG1 3.72Å; I114-V200 HydrophobicContact CG2-CG1 4.22Å; I114-L201 PolarHBondContact N-O 3.09Å; I114-R202 HydrophobicContact CD1-CG 3.96Å; I114-R202 HydrophobicContact CG1-CG 3.9Å; I114-R202 CarbonylContact O-C 3.51Å; I114-R202 WeakPolarHBondContact O-CA 3.42Å; I114-L203 PolarHBondContact O-N 3.36Å
115R97.8Very high98.3Very high58 Ų5842.8 Ų42.822%0.21921%0.207CC..  trans-143.5176.5169.465.3-177.6-67.31657.9110R17 T18 K117 W120 Y182 L203R17-R115 WeakPolarHBondContact O-CD 3.19Å; R17-R115 PolarHBondContact O-NH1 3.2Å; T18-R115 HydrophobicContact CG2-CG 4.29Å; R115-K117 PolarHBondContact O-N 2.93Å; R115-W120 HydrophobicContact CG-CB 3.7Å; R115-Y182 PolarHBondContact N-OH 3.44Å; R115-Y182 PolarHBondContact O-OH 2.89Å; R115-L203 HydrophobicContact CB-CB 4.01Å; R115-L203 HydrophobicContact CB-CD2 4.28Å
116D98.4Very high98.3Very high80 Ų8045.2 Ų45.243%0.42822%0.218SC..  trans-54133.8168.9174.8-90.8000110.5Y118 D119 W120D116-Y118 VanDerWaalsContact C-N 3.34Å; D116-Y118 PolarHBondContact O-N 2.93Å; D116-Y118 WeakPolarHBondContact OD1-CA 3.4Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.37Å; D116-Y118 PolarHBondContact OD1-N 3.37Å; D116-D119 HydrophobicContact CB-CB 4.05Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 PolarHBondContact OD1-N 2.63Å; D116-W120 WeakPolarHBondContact O-CB 3.42Å; D116-W120 PolarHBondContact O-N 2.69Å
117K98.6Very high98.3Very high53 Ų5342.8 Ų42.823%0.2320%0.202CC..Hα-helixtrans-69.3-31.5-171.364.5178179.9176.10113.3R115 W120 L121 L179 Y182 D183R115-K117 PolarHBondContact O-N 2.93Å; K117-W120 PolarHBondContact O-N 2.68Å; K117-L121 WeakPolarHBondContact O-CB 3.36Å; K117-L121 PolarHBondContact O-N 2.83Å; K117-L179 HydrophobicContact CB-CD2 3.91Å; K117-L179 HydrophobicContact CD-CD2 4.18Å; K117-L179 HydrophobicContact CG-CD2 3.94Å; K117-L179 VanDerWaalsContact O-CD2 3.27Å; K117-L179 WeakPolarHBondContact O-CD2 3.44Å; K117-Y182 HydrophobicContact CB-CD1 3.62Å; K117-Y182 HydrophobicContact CB-CE1 3.69Å; K117-D183 WeakPolarHBondContact CD-OD1 3.05Å; K117-D183 WeakPolarHBondContact CD-OD2 3.16Å; K117-D183 IonicContact NZ-OD2 2.86Å; K117-D183 PolarHBondContact NZ-OD2 2.87Å
118Y98.8Very high98.4Very high138 Ų13837.2 Ų37.254%0.54117%0.174SC..Hα-helixtrans-74.1-39.5177.5-59.2-72.9000110.4D116 W120 L121 H122 L179D116-Y118 VanDerWaalsContact C-N 3.34Å; D116-Y118 PolarHBondContact O-N 2.93Å; D116-Y118 WeakPolarHBondContact OD1-CA 3.4Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.37Å; D116-Y118 PolarHBondContact OD1-N 3.37Å; Y118-W120 VanDerWaalsContact C-N 3.35Å; Y118-L121 PolarHBondContact O-N 3.33Å; Y118-H122 WeakPolarHBondContact O-CB 3.22Å; Y118-H122 PolarHBondContact O-N 3.14Å; Y118-L179 HydrophobicContact CD1-CD1 4.02Å; Y118-L179 HydrophobicContact CD1-CD2 4.25Å; Y118-L179 HydrophobicContact CE1-CD1 3.77Å
119D98.4Very high98.3Very high89 Ų8937.8 Ų37.848%0.47618%0.176SC..Hα-helixtrans-64.7-37.9171.2-78.3-13.9000112.7D116 S123D116-D119 HydrophobicContact CB-CB 4.05Å; D116-D119 PolarHBondContact O-N 2.89Å; D116-D119 PolarHBondContact OD1-N 2.63Å; D119-S123 WeakPolarHBondContact O-CB 3.19Å; D119-S123 PolarHBondContact O-N 2.98Å
120W98.6Very high98.3Very high0 Ų035.2 Ų35.20%017%0.166CC..Hα-helixtrans-60.2-53.6172.7170.277.7000110.6L15 P16 R115 D116 K117 Y118 H122 S123 L124 F165 L178 Y182L15-W120 HydrophobicContact CD1-CZ2 4.38Å; P16-W120 PolarHBondContact O-NE1 2.8Å; R115-W120 HydrophobicContact CG-CB 3.7Å; D116-W120 WeakPolarHBondContact O-CB 3.42Å; D116-W120 PolarHBondContact O-N 2.69Å; K117-W120 PolarHBondContact O-N 2.68Å; Y118-W120 VanDerWaalsContact C-N 3.35Å; W120-H122 VanDerWaalsContact C-N 3.34Å; W120-H122 PolarHBondContact O-N 3.48Å; W120-S123 PolarHBondContact O-N 2.82Å; W120-L124 HydrophobicContact CH2-CD2 3.81Å; W120-L124 HydrophobicContact CZ2-CD1 4.35Å; W120-L124 HydrophobicContact CZ2-CD2 3.77Å; W120-L124 HydrophobicContact CZ3-CD2 4.42Å; W120-L124 WeakPolarHBondContact O-CB 3.46Å; W120-L124 PolarHBondContact O-N 3.08Å; W120-F165 HydrophobicContact CH2-CZ 4.32Å; W120-F165 HydrophobicContact CZ2-CZ 4.46Å; W120-L178 HydrophobicContact CH2-CB 4.46Å; W120-L178 HydrophobicContact CZ3-CB 4.32Å; W120-L178 WeakPolarHBondContact CZ3-O 3.16Å; W120-Y182 HydrophobicContact CB-CE2 4.14Å; W120-Y182 AromaticContact CD1-CE2 3.76Å; W120-Y182 AromaticContact CD2-CD2 3.38Å; W120-Y182 HydrophobicContact CD2-CD2 3.38Å; W120-Y182 AromaticContact CD2-CE2 3.76Å; W120-Y182 HydrophobicContact CD2-CE2 3.76Å; W120-Y182 HydrophobicContact CD2-CG 4Å; W120-Y182 AromaticContact CE2-CD2 3.53Å; W120-Y182 AromaticContact CE3-CD2 3.68Å; W120-Y182 HydrophobicContact CE3-CD2 3.68Å; W120-Y182 HydrophobicContact CE3-CE2 4.38Å; W120-Y182 AromaticContact CE3-CG 3.8Å; W120-Y182 HydrophobicContact CE3-CG 3.8Å; W120-Y182 AromaticContact CG-CD2 3.79Å; W120-Y182 HydrophobicContact CG-CD2 3.79Å; W120-Y182 AromaticContact CG-CE2 3.6Å; W120-Y182 HydrophobicContact CG-CE2 3.6Å; W120-Y182 HydrophobicContact CH2-CD2 4.19Å; W120-Y182 HydrophobicContact CH2-CG 4.45Å; W120-Y182 AromaticContact CZ2-CD2 3.93Å; W120-Y182 HydrophobicContact CZ2-CD2 3.93Å; W120-Y182 HydrophobicContact CZ3-CD2 4.08Å; W120-Y182 HydrophobicContact CZ3-CG 4.06Å; W120-Y182 AromaticContact NE1-CD2 3.96Å; W120-Y182 AromaticContact NE1-CE2 3.98Å
121L98.8Very high98.2Very high16 Ų1637.6 Ų37.68%0.08418%0.177CC..Hα-helixtrans-59.3-46.4179.8176.866.8000110.9K117 Y118 S123 L124 R125 D175 L178 L179K117-L121 WeakPolarHBondContact O-CB 3.36Å; K117-L121 PolarHBondContact O-N 2.83Å; Y118-L121 PolarHBondContact O-N 3.33Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 2.91Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.34Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L121-R125 HydrophobicContact CD1-CG 4.27Å; L121-R125 HydrophobicContact CG-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.38Å; L121-R125 PolarHBondContact O-N 2.88Å; L121-D175 HydrophobicContact CD2-CB 3.62Å; L121-L178 HydrophobicContact CD1-CB 4.03Å; L121-L178 HydrophobicContact CD1-CD1 3.83Å; L121-L179 HydrophobicContact CB-CD2 3.92Å; L121-L179 HydrophobicContact CD2-CD1 4Å; L121-L179 HydrophobicContact CD2-CD2 4.07Å; L121-L179 HydrophobicContact CD2-CG 3.9Å
122H98.5Very high98.1Very high95 Ų9541.3 Ų41.344%0.4420%0.202SC..Hα-helixtrans-55.7-48.5176.5-179.581.3000111.3Y118 W120 L124 R125 K126Y118-H122 WeakPolarHBondContact O-CB 3.22Å; Y118-H122 PolarHBondContact O-N 3.14Å; W120-H122 VanDerWaalsContact C-N 3.34Å; W120-H122 PolarHBondContact O-N 3.48Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.03Å; H122-R125 PolarHBondContact O-N 3.5Å; H122-K126 WeakPolarHBondContact O-CG 3.46Å; H122-K126 PolarHBondContact O-N 2.62Å
123S98.2Very high98Very high1 Ų147.5 Ų47.51%0.00724%0.236CC..Hα-helixtrans-68.6-32.6178.3-172.70000113.2R17 D119 W120 L121 K126 V127R17-S123 PolarHBondContact NE-OG 3.45Å; R17-S123 PolarHBondContact NH2-OG 2.93Å; R17-S123 VanDerWaalsContact NH2-OG 3.08Å; D119-S123 WeakPolarHBondContact O-CB 3.19Å; D119-S123 PolarHBondContact O-N 2.98Å; W120-S123 PolarHBondContact O-N 2.82Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 2.91Å; S123-K126 PolarHBondContact O-N 3.49Å; S123-V127 PolarHBondContact O-N 3.42Å
124L98.6Very high97.9Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-64-47.9176.8-171.179.5000110.1P16 R17 W120 L121 H122 K126 V127 V128 L129 L178P16-L124 HydrophobicContact CG-CD1 4.16Å; R17-L124 HydrophobicContact CG-CB 4.44Å; R17-L124 HydrophobicContact CG-CD1 4.1Å; W120-L124 HydrophobicContact CH2-CD2 3.81Å; W120-L124 HydrophobicContact CZ2-CD1 4.35Å; W120-L124 HydrophobicContact CZ2-CD2 3.77Å; W120-L124 HydrophobicContact CZ3-CD2 4.42Å; W120-L124 WeakPolarHBondContact O-CB 3.46Å; W120-L124 PolarHBondContact O-N 3.08Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.34Å; L121-L124 VanDerWaalsContact O-N 3.15Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.03Å; L124-K126 VanDerWaalsContact C-N 3.26Å; L124-K126 PolarHBondContact O-N 2.84Å; L124-V127 PolarHBondContact O-N 3.12Å; L124-V128 HydrophobicContact CD1-CB 3.85Å; L124-V128 HydrophobicContact CD1-CG1 4.11Å; L124-V128 HydrophobicContact CD1-CG2 4.32Å; L124-V128 HydrophobicContact CG-CB 4.48Å; L124-V128 PolarHBondContact O-N 3.18Å; L124-L129 HydrophobicContact CD2-CB 4.41Å; L124-L129 HydrophobicContact CD2-CD2 4.32Å; L124-L129 HydrophobicContact CG-CB 4.16Å; L124-L129 PolarHBondContact O-N 2.89Å; L124-L178 HydrophobicContact CD2-CD1 4.18Å
125R98.1Very high97.9Very high22 Ų2253.7 Ų53.78%0.08327%0.274CS..Hα-helixtrans-59.8-34.1176.9-68.7-51.9-170.1-173.3-3113.3L121 H122 L129 P130 F172 D173 D175L121-R125 HydrophobicContact CD1-CG 4.27Å; L121-R125 HydrophobicContact CG-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.38Å; L121-R125 PolarHBondContact O-N 2.88Å; H122-R125 PolarHBondContact O-N 3.5Å; R125-L129 WeakPolarHBondContact CD-O 3.4Å; R125-L129 PolarHBondContact NH1-O 3.38Å; R125-P130 WeakPolarHBondContact O-CA 3.39Å; R125-P130 WeakPolarHBondContact O-CB 3.49Å; R125-P130 WeakPolarHBondContact O-CG 3.41Å; R125-F172 PolarHBondContact NH1-O 2.92Å; R125-F172 PolarHBondContact NH2-O 3.38Å; R125-D173 PolarHBondContact NH2-O 3.28Å; R125-D175 IonicContact CZ-OD1 2.85Å; R125-D175 IonicContact NE-OD1 2.77Å; R125-D175 PolarHBondContact NE-OD1 2.71Å; R125-D175 IonicContact NH2-OD1 3Å; R125-D175 PolarHBondContact NH2-OD1 3.4Å
126K97.6Very high97.8Very high77 Ų7753 Ų5334%0.33527%0.272SS..Hα-helixtrans-78.6-22.3-178.4-70.4-63.5-177.7-1720114.8H122 S123 L124 W136 H230H122-K126 WeakPolarHBondContact O-CG 3.46Å; H122-K126 PolarHBondContact O-N 2.62Å; S123-K126 PolarHBondContact O-N 3.49Å; L124-K126 VanDerWaalsContact C-N 3.26Å; L124-K126 PolarHBondContact O-N 2.84Å; K126-W136 PolarHBondContact O-NE1 2.7Å; K126-H230 HydrophobicContact CB-CB 4.07Å
127V97.6Very high97.8Very high24 Ų2452 Ų5215%0.14526%0.264CS..Hα-helixtrans-128.6-42.6-166.2-1780000113.8S123 L124 H230 M233S123-V127 PolarHBondContact O-N 3.42Å; L124-V127 PolarHBondContact O-N 3.12Å; V127-H230 HydrophobicContact CG2-CB 3.78Å; V127-M233 HydrophobicContact CG1-CB 3.93Å; V127-M233 HydrophobicContact CG1-CE 4.37Å; V127-M233 HydrophobicContact CG1-CG 3.84Å; V127-M233 HydrophobicContact CG2-CB 3.87Å; V127-M233 HydrophobicContact CG2-CG 4.23Å
128V97.1Very high97.7Very high40 Ų4055.1 Ų55.124%0.24228%0.282CS..THydrogen-bonded Turntrans-110.4-44.8-167.8179.20000111.4P16 R17 L124 T157P16-V128 HydrophobicContact CB-CG2 4.46Å; R17-V128 HydrophobicContact CG-CG2 3.96Å; L124-V128 HydrophobicContact CD1-CB 3.85Å; L124-V128 HydrophobicContact CD1-CG1 4.11Å; L124-V128 HydrophobicContact CD1-CG2 4.32Å; L124-V128 HydrophobicContact CG-CB 4.48Å; L124-V128 PolarHBondContact O-N 3.18Å; V128-T157 HydrophobicContact CG1-CG2 3.7Å
129L96.9Very high97.7Very high14 Ų1452.6 Ų52.67%0.07327%0.274CS..  trans-139.965.9-170.4-16774.3000111.3L124 R125 E158 L161 F172 L178L124-L129 HydrophobicContact CD2-CB 4.41Å; L124-L129 HydrophobicContact CD2-CD2 4.32Å; L124-L129 HydrophobicContact CG-CB 4.16Å; L124-L129 PolarHBondContact O-N 2.89Å; R125-L129 WeakPolarHBondContact CD-O 3.4Å; R125-L129 PolarHBondContact NH1-O 3.38Å; L129-E158 HydrophobicContact CD1-CG 4.35Å; L129-L161 HydrophobicContact CD2-CD1 4.3Å; L129-F172 HydrophobicContact CD1-CB 4.37Å; L129-F172 HydrophobicContact CD1-CD1 4.44Å; L129-F172 HydrophobicContact CD1-CG 4.26Å; L129-F172 HydrophobicContact CD2-CB 3.87Å; L129-F172 HydrophobicContact CD2-CD1 3.28Å; L129-F172 HydrophobicContact CD2-CE1 3.98Å; L129-F172 HydrophobicContact CD2-CG 3.75Å; L129-F172 HydrophobicContact CG-CB 4.41Å; L129-F172 HydrophobicContact CG-CD1 4.44Å; L129-L178 HydrophobicContact CD2-CD1 4.18Å
130P97.8Very high97.7Very high10 Ų1049 Ų497%0.06525%0.254CS..  trans-54.7151.5168.8-17.429.4000110.8R125 D134 K137 I140R125-P130 WeakPolarHBondContact O-CA 3.39Å; R125-P130 WeakPolarHBondContact O-CB 3.49Å; R125-P130 WeakPolarHBondContact O-CG 3.41Å; P130-D134 HydrophobicContact CB-CB 4.33Å; P130-K137 HydrophobicContact CB-CB 3.98Å; P130-K137 HydrophobicContact CB-CG 4.48Å; P130-K137 HydrophobicContact CG-CB 4.36Å; P130-I140 HydrophobicContact CG-CD1 3.38Å
131K98Very high97.6Very high50 Ų5051.2 Ų51.222%0.21727%0.265CS..  trans-62.1151.2174.9-69.1-174-174.7-66.90110.5N133 D134 D173 D175K131-N133 WeakPolarHBondContact CB-OD1 3.45Å; K131-N133 PolarHBondContact O-N 3.18Å; K131-N133 VanDerWaalsContact O-N 3.11Å; K131-D134 HydrophobicContact CB-CB 4.32Å; K131-D134 WeakPolarHBondContact O-CB 3.31Å; K131-D134 PolarHBondContact O-N 3.21Å; K131-D173 WeakPolarHBondContact CA-OD1 3.3Å; K131-D173 PolarHBondContact NZ-O 2.96Å; K131-D175 WeakPolarHBondContact CE-OD2 3.42Å; K131-D175 IonicContact NZ-OD1 2.71Å; K131-D175 PolarHBondContact NZ-OD1 2.88Å; K131-D175 IonicContact NZ-OD2 3.52Å; K131-D175 PolarHBondContact NZ-OD2 3.21Å
132S96.1Very high97.6Very high77 Ų7753.5 Ų53.554%0.53828%0.275SS..THydrogen-bonded Turntrans-59.8-26-179.2-52.30000113.5D173S132-D173 WeakPolarHBondContact CB-OD2 3.44Å; S132-D173 PolarHBondContact N-OD1 2.86Å; S132-D173 PolarHBondContact N-OD2 3.01Å; S132-D173 PolarHBondContact OG-OD1 3.47Å; S132-D173 PolarHBondContact OG-OD2 3.17Å
133N96.3Very high97.6Very high131 Ų13149 Ų4970%0.70125%0.254SS*.THydrogen-bonded Turntrans-95.71176.968.7-13000114.2K131 P135K131-N133 WeakPolarHBondContact CB-OD1 3.45Å; K131-N133 PolarHBondContact O-N 3.18Å; K131-N133 VanDerWaalsContact O-N 3.11Å; N133-P135 WeakPolarHBondContact O-CD 3.42Å
134D97.6Very high97.6Very high51 Ų5150 Ų5027%0.27326%0.26SS..  trans-80.6118.7177.8-168.6-26.6000110P130 K131 W136 K137P130-D134 HydrophobicContact CB-CB 4.33Å; K131-D134 HydrophobicContact CB-CB 4.32Å; K131-D134 WeakPolarHBondContact O-CB 3.31Å; K131-D134 PolarHBondContact O-N 3.21Å; D134-W136 PolarHBondContact O-N 3.41Å; D134-W136 VanDerWaalsContact O-N 3.08Å; D134-W136 WeakPolarHBondContact OD1-CB 3.18Å; D134-W136 PolarHBondContact OD1-N 2.85Å; D134-K137 WeakPolarHBondContact O-CB 3.4Å; D134-K137 PolarHBondContact O-N 3.16Å
135P97.1Very high97.6Very high101 Ų10157 Ų5766%0.65629%0.29SS*.THydrogen-bonded Turntrans-57.5-23.9176.7-24.234.6000113.8N133 K137 L138N133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-K137 PolarHBondContact O-N 2.91Å; P135-L138 PolarHBondContact O-N 2.76Å
136W97.1Very high97.6Very high45 Ų4557.8 Ų57.817%0.1730%0.297CS..Hα-helixtrans-62-26.5175.3-174-114.9000112.6K126 D134 L138 K139 I140 T234 T237 E238K126-W136 PolarHBondContact O-NE1 2.7Å; D134-W136 PolarHBondContact O-N 3.41Å; D134-W136 VanDerWaalsContact O-N 3.08Å; D134-W136 WeakPolarHBondContact OD1-CB 3.18Å; D134-W136 PolarHBondContact OD1-N 2.85Å; W136-L138 VanDerWaalsContact C-N 3.3Å; W136-L138 PolarHBondContact O-N 3.04Å; W136-K139 HydrophobicContact CD2-CB 4.24Å; W136-K139 HydrophobicContact CE3-CB 3.69Å; W136-K139 HydrophobicContact CE3-CG 4.01Å; W136-K139 HydrophobicContact CH2-CB 4.31Å; W136-K139 HydrophobicContact CZ3-CB 3.74Å; W136-K139 HydrophobicContact CZ3-CG 4.09Å; W136-K139 WeakPolarHBondContact O-CB 3.32Å; W136-K139 PolarHBondContact O-N 2.99Å; W136-I140 VanDerWaalsContact CD1-CD1 3.49Å; W136-I140 HydrophobicContact CG-CD1 4.46Å; W136-I140 HydrophobicContact CZ2-CG1 4.44Å; W136-I140 VanDerWaalsContact NE1-CD1 3.29Å; W136-I140 PolarHBondContact O-N 3.21Å; W136-T234 HydrophobicContact CH2-CG2 3.79Å; W136-T234 HydrophobicContact CZ2-CG2 3.89Å; W136-T237 HydrophobicContact CH2-CG2 3.98Å; W136-T237 HydrophobicContact CZ2-CG2 3.99Å; W136-E238 HydrophobicContact CH2-CG 4.19Å
137K97.6Very high97.6Very high59 Ų5955.2 Ų55.226%0.25729%0.287SS..Hα-helixtrans-54.9-46.2174.6-172.5174.1175.7171.80111.8P130 D134 P135 K139 I140 E141P130-K137 HydrophobicContact CB-CB 3.98Å; P130-K137 HydrophobicContact CB-CG 4.48Å; P130-K137 HydrophobicContact CG-CB 4.36Å; D134-K137 WeakPolarHBondContact O-CB 3.4Å; D134-K137 PolarHBondContact O-N 3.16Å; P135-K137 PolarHBondContact O-N 2.91Å; K137-K139 PolarHBondContact O-N 2.93Å; K137-I140 PolarHBondContact O-N 2.83Å; K137-E141 WeakPolarHBondContact CE-OE1 3.03Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.99Å
138L97.5Very high97.6Very high117 Ų11756.3 Ų56.361%0.61330%0.303SS*.Hα-helixtrans-64.6-28.6179.1-63.2176.3000112.2P135 W136 E142P135-L138 PolarHBondContact O-N 2.76Å; W136-L138 VanDerWaalsContact C-N 3.3Å; W136-L138 PolarHBondContact O-N 3.04Å; L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.38Å; L138-E142 PolarHBondContact O-N 3.3Å
139K98.1Very high97.6Very high86 Ų8654.6 Ų54.637%0.37429%0.292SS..Hα-helixtrans-73.6-44.4175.7-70.8-72.1166.3-161.20111.6W136 K137 E141 E142 G143 T237 I241W136-K139 HydrophobicContact CD2-CB 4.24Å; W136-K139 HydrophobicContact CE3-CB 3.69Å; W136-K139 HydrophobicContact CE3-CG 4.01Å; W136-K139 HydrophobicContact CH2-CB 4.31Å; W136-K139 HydrophobicContact CZ3-CB 3.74Å; W136-K139 HydrophobicContact CZ3-CG 4.09Å; W136-K139 WeakPolarHBondContact O-CB 3.32Å; W136-K139 PolarHBondContact O-N 2.99Å; K137-K139 PolarHBondContact O-N 2.93Å; K139-E141 VanDerWaalsContact C-N 3.33Å; K139-E141 PolarHBondContact O-N 2.99Å; K139-E142 IonicContact NZ-OE2 2.9Å; K139-E142 PolarHBondContact NZ-OE2 3.44Å; K139-E142 PolarHBondContact O-N 3.35Å; K139-G143 PolarHBondContact O-N 3.19Å; K139-T237 HydrophobicContact CB-CG2 4.49Å; K139-T237 WeakPolarHBondContact O-CG2 3.3Å; K139-I241 HydrophobicContact CB-CD1 4.08Å; K139-I241 HydrophobicContact CD-CD1 3.54Å; K139-I241 HydrophobicContact CG-CD1 4.46Å; K139-I241 WeakPolarHBondContact O-CD1 3.48Å
140I98Very high97.6Very high12 Ų1257.8 Ų57.86%0.06231%0.309CS..Hα-helixtrans-56.9-50171.8-73.5163.7000109.9P130 W136 K137 E142 G143 D144 T237P130-I140 HydrophobicContact CG-CD1 3.38Å; W136-I140 VanDerWaalsContact CD1-CD1 3.49Å; W136-I140 HydrophobicContact CG-CD1 4.46Å; W136-I140 HydrophobicContact CZ2-CG1 4.44Å; W136-I140 VanDerWaalsContact NE1-CD1 3.29Å; W136-I140 PolarHBondContact O-N 3.21Å; K137-I140 PolarHBondContact O-N 2.83Å; I140-E142 VanDerWaalsContact C-N 3.28Å; I140-E142 PolarHBondContact O-N 3.08Å; I140-G143 PolarHBondContact O-N 3.4Å; I140-G143 VanDerWaalsContact O-N 3.08Å; I140-D144 VanDerWaalsContact CG2-OD2 3.25Å; I140-D144 WeakPolarHBondContact CG2-OD2 3.32Å; I140-D144 WeakPolarHBondContact O-CB 3.46Å; I140-D144 VanDerWaalsContact O-CG 3.24Å; I140-D144 PolarHBondContact O-N 2.73Å; I140-T237 HydrophobicContact CG1-CG2 4.41Å
141E97.8Very high97.6Very high48 Ų4861.4 Ų61.422%0.22434%0.335CS..Hα-helixtrans-60.8-34.1177.9-69.2175.4-17100113.7K137 K139 K145 Y154K137-E141 WeakPolarHBondContact CE-OE1 3.03Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.99Å; K139-E141 VanDerWaalsContact C-N 3.33Å; K139-E141 PolarHBondContact O-N 2.99Å; E141-K145 WeakPolarHBondContact O-CD 3.4Å; E141-K145 WeakPolarHBondContact O-CG 3.39Å; E141-K145 PolarHBondContact O-N 3.38Å; E141-Y154 WeakPolarHBondContact CA-OH 3.49Å; E141-Y154 HydrophobicContact CG-CE2 4.04Å
142E98.1Very high97.6Very high64 Ų6463.2 Ų63.230%0.29935%0.347SS..Hα-helixtrans-68.2-40.4174.7-169.3-173.7172.900112.1L138 K139 I140 I241 K244L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.38Å; L138-E142 PolarHBondContact O-N 3.3Å; K139-E142 IonicContact NZ-OE2 2.9Å; K139-E142 PolarHBondContact NZ-OE2 3.44Å; K139-E142 PolarHBondContact O-N 3.35Å; I140-E142 VanDerWaalsContact C-N 3.28Å; I140-E142 PolarHBondContact O-N 3.08Å; E142-I241 HydrophobicContact CB-CD1 4.24Å; E142-I241 HydrophobicContact CB-CG1 4.07Å; E142-I241 HydrophobicContact CG-CG1 3.97Å; E142-I241 WeakPolarHBondContact OE1-CG2 3.29Å; E142-K244 IonicContact OE1-NZ 2.91Å; E142-K244 PolarHBondContact OE1-NZ 3.45Å
143G98.2Very high97.7Very high0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-70.3-44.417600000112.4K139 I140 K145 V146K139-G143 PolarHBondContact O-N 3.19Å; I140-G143 PolarHBondContact O-N 3.4Å; I140-G143 VanDerWaalsContact O-N 3.08Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 2.92Å; G143-V146 WeakPolarHBondContact O-CA 3.3Å; G143-V146 WeakPolarHBondContact O-CB 3.4Å; G143-V146 PolarHBondContact O-N 3Å
144D98.3Very high97.7Very high23 Ų2356.5 Ų56.512%0.12330%0.301CS..Hα-helixtrans-62.1-34.1179.5-76-9.8000112.5I140 V146 L147 G148 L149 Y154I140-D144 VanDerWaalsContact CG2-OD2 3.25Å; I140-D144 WeakPolarHBondContact CG2-OD2 3.32Å; I140-D144 WeakPolarHBondContact O-CB 3.46Å; I140-D144 VanDerWaalsContact O-CG 3.24Å; I140-D144 PolarHBondContact O-N 2.73Å; D144-V146 PolarHBondContact O-N 3.01Å; D144-L147 CarbonylContact O-C 3.54Å; D144-L147 WeakPolarHBondContact O-CA 3.44Å; D144-L147 WeakPolarHBondContact O-CB 3.36Å; D144-L147 PolarHBondContact O-N 2.72Å; D144-G148 PolarHBondContact O-N 3.12Å; D144-L149 HydrophobicContact CB-CB 4.06Å; D144-L149 HydrophobicContact CB-CD1 4.06Å; D144-L149 WeakPolarHBondContact O-CB 3.38Å; D144-L149 PolarHBondContact O-N 3.08Å; D144-Y154 WeakPolarHBondContact CB-OH 3.22Å; D144-Y154 VanDerWaalsContact CG-OH 3.26Å; D144-Y154 WeakPolarHBondContact OD2-CE1 3.28Å; D144-Y154 PolarHBondContact OD2-OH 3.38Å
145K98.4Very high97.8Very high145 Ų14558.7 Ų58.763%0.6331%0.308SS*.Hα-helixtrans-60.4-31.6171.4-78.7168.1-172.41690113E141 G143 L147 G148E141-K145 WeakPolarHBondContact O-CD 3.4Å; E141-K145 WeakPolarHBondContact O-CG 3.39Å; E141-K145 PolarHBondContact O-N 3.38Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 2.92Å; K145-L147 PolarHBondContact O-N 3.07Å; K145-G148 PolarHBondContact O-N 3.2Å; K145-G148 VanDerWaalsContact O-N 3.1Å
146V98.3Very high97.8Very high40 Ų4053.9 Ų53.924%0.24228%0.277CS..Hα-helixtrans-67.1-29.8174.5-179.20000110.7G143 D144 G148 L240 K244G143-V146 WeakPolarHBondContact O-CA 3.3Å; G143-V146 WeakPolarHBondContact O-CB 3.4Å; G143-V146 PolarHBondContact O-N 3Å; D144-V146 PolarHBondContact O-N 3.01Å; V146-G148 VanDerWaalsContact C-N 3.26Å; V146-G148 PolarHBondContact O-N 2.83Å; V146-L240 HydrophobicContact CB-CB 4.39Å; V146-L240 HydrophobicContact CB-CD2 4.29Å; V146-L240 HydrophobicContact CG1-CD2 3.9Å; V146-K244 VanDerWaalsContact CG1-C 3.4Å; V146-K244 HydrophobicContact CG2-CD 4Å
147L97.6Very high97.9Very high23 Ų2352.2 Ų52.212%0.1227%0.271CS..THydrogen-bonded Turntrans-82.81.4173.9-56.4179.8000113I42 F43 Q46 D144 K145 L149 L240 L246I42-L147 HydrophobicContact CG2-CD1 4.03Å; F43-L147 HydrophobicContact CE1-CD1 4.17Å; F43-L147 HydrophobicContact CE1-CD2 4.05Å; F43-L147 HydrophobicContact CZ-CD1 4.45Å; Q46-L147 PolarHBondContact NE2-O 2.98Å; D144-L147 CarbonylContact O-C 3.54Å; D144-L147 WeakPolarHBondContact O-CA 3.44Å; D144-L147 WeakPolarHBondContact O-CB 3.36Å; D144-L147 PolarHBondContact O-N 2.72Å; K145-L147 PolarHBondContact O-N 3.07Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 HydrophobicContact CB-CD1 4.33Å; L147-L149 HydrophobicContact CB-CG 4.09Å; L147-L149 HydrophobicContact CD1-CD1 4.45Å; L147-L149 PolarHBondContact O-N 2.73Å; L147-L240 HydrophobicContact CD1-CD1 3.93Å; L147-L240 HydrophobicContact CD2-CD1 4.04Å; L147-L240 HydrophobicContact CD2-CD2 3.82Å; L147-L240 HydrophobicContact CG-CD1 3.9Å; L147-L240 HydrophobicContact CG-CD2 4.4Å; L147-L246 HydrophobicContact CD2-CB 4.12Å; L147-L246 HydrophobicContact CD2-CD1 4.31Å; L147-L246 HydrophobicContact CD2-CD2 3.95Å; L147-L246 HydrophobicContact CD2-CG 4.36Å
148G97.7Very high97.9Very high46 Ų4652.5 Ų52.547%0.47427%0.274SS..THydrogen-bonded Turntrans78.96.8-177.200000114.7D144 K145 V146D144-G148 PolarHBondContact O-N 3.12Å; K145-G148 PolarHBondContact O-N 3.2Å; K145-G148 VanDerWaalsContact O-N 3.1Å; V146-G148 VanDerWaalsContact C-N 3.26Å; V146-G148 PolarHBondContact O-N 2.83Å
149L98.2Very high97.9Very high5 Ų548 Ų483%0.02625%0.251CS..  trans-76.8146.8178.9-53.6176.7000111I42 Q46 D144 L147 F153I42-L149 HydrophobicContact CG1-CD1 4.22Å; I42-L149 HydrophobicContact CG2-CD1 4.12Å; Q46-L149 HydrophobicContact CG-CD2 4.33Å; D144-L149 HydrophobicContact CB-CB 4.06Å; D144-L149 HydrophobicContact CB-CD1 4.06Å; D144-L149 WeakPolarHBondContact O-CB 3.38Å; D144-L149 PolarHBondContact O-N 3.08Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 HydrophobicContact CB-CD1 4.33Å; L147-L149 HydrophobicContact CB-CG 4.09Å; L147-L149 HydrophobicContact CD1-CD1 4.45Å; L147-L149 PolarHBondContact O-N 2.73Å; L149-F153 HydrophobicContact CB-CB 4.25Å; L149-F153 HydrophobicContact CB-CD1 4.18Å; L149-F153 HydrophobicContact CB-CG 4.26Å; L149-F153 HydrophobicContact CD1-CD1 3.88Å; L149-F153 HydrophobicContact CD1-CE1 3.84Å; L149-F153 HydrophobicContact CD1-CE2 4.46Å; L149-F153 HydrophobicContact CD1-CG 4.22Å; L149-F153 HydrophobicContact CD1-CZ 4.14Å; L149-F153 HydrophobicContact CD2-CB 4.38Å; L149-F153 HydrophobicContact CD2-CD2 4.11Å; L149-F153 HydrophobicContact CD2-CG 4.09Å; L149-F153 HydrophobicContact CG-CD1 4.44Å; L149-F153 HydrophobicContact CG-CG 4.42Å
150N95.9Very high98Very high80 Ų8044 Ų4443%0.42823%0.233SC..  trans-138.7-167.8-175.168.622.6000111.5D152 F153 Y154N150-D152 PolarHBondContact O-N 3.17Å; N150-D152 VanDerWaalsContact OD1-CB 3.29Å; N150-D152 WeakPolarHBondContact OD1-CB 3.38Å; N150-D152 PolarHBondContact OD1-N 3.45Å; N150-F153 WeakPolarHBondContact O-CB 3.49Å; N150-F153 PolarHBondContact O-N 2.98Å; N150-F153 VanDerWaalsContact O-N 3.14Å; N150-Y154 VanDerWaalsContact O-CD2 3.3Å; N150-Y154 WeakPolarHBondContact O-CD2 3.42Å
151S96.8Very high98Very high87 Ų8743.4 Ų43.461%0.60823%0.23SC*.Hα-helixtrans-56.4-29.9179.450.80000114.5F153 Y154 K155S151-F153 VanDerWaalsContact C-N 3.31Å; S151-F153 PolarHBondContact O-N 3.35Å; S151-Y154 PolarHBondContact O-N 2.9Å; S151-K155 WeakPolarHBondContact O-CB 3.5Å; S151-K155 PolarHBondContact O-N 3.17Å
152D98.3Very high98Very high87 Ų8743.2 Ų43.247%0.46523%0.228SC..Hα-helixtrans-70.2-31.8-178.5-58-24.6000111.2I49 N150 L156I49-D152 HydrophobicContact CG2-CB 3.95Å; N150-D152 PolarHBondContact O-N 3.17Å; N150-D152 VanDerWaalsContact OD1-CB 3.29Å; N150-D152 WeakPolarHBondContact OD1-CB 3.38Å; N150-D152 PolarHBondContact OD1-N 3.45Å; D152-L156 WeakPolarHBondContact O-CB 3.21Å; D152-L156 PolarHBondContact O-N 2.94Å
153F98.4Very high98Very high16 Ų1641.6 Ų41.67%0.0722%0.22CC..Hα-helixtrans-66.2-44.7174172-104.9000112M38 I42 I49 L149 N150 S151 K155 L156 T157M38-F153 HydrophobicContact CG-CE2 4.3Å; M38-F153 HydrophobicContact SD-CE2 3.64Å; M38-F153 HydrophobicContact SD-CZ 4.38Å; I42-F153 HydrophobicContact CD1-CE2 4.14Å; I42-F153 HydrophobicContact CD1-CZ 3.9Å; I42-F153 HydrophobicContact CG1-CE2 3.65Å; I42-F153 HydrophobicContact CG1-CZ 3.86Å; I49-F153 HydrophobicContact CD1-CB 4.03Å; I49-F153 HydrophobicContact CD1-CD2 4.32Å; L149-F153 HydrophobicContact CB-CB 4.25Å; L149-F153 HydrophobicContact CB-CD1 4.18Å; L149-F153 HydrophobicContact CB-CG 4.26Å; L149-F153 HydrophobicContact CD1-CD1 3.88Å; L149-F153 HydrophobicContact CD1-CE1 3.84Å; L149-F153 HydrophobicContact CD1-CE2 4.46Å; L149-F153 HydrophobicContact CD1-CG 4.22Å; L149-F153 HydrophobicContact CD1-CZ 4.14Å; L149-F153 HydrophobicContact CD2-CB 4.38Å; L149-F153 HydrophobicContact CD2-CD2 4.11Å; L149-F153 HydrophobicContact CD2-CG 4.09Å; L149-F153 HydrophobicContact CG-CD1 4.44Å; L149-F153 HydrophobicContact CG-CG 4.42Å; N150-F153 WeakPolarHBondContact O-CB 3.49Å; N150-F153 PolarHBondContact O-N 2.98Å; N150-F153 VanDerWaalsContact O-N 3.14Å; S151-F153 VanDerWaalsContact C-N 3.31Å; S151-F153 PolarHBondContact O-N 3.35Å; F153-K155 VanDerWaalsContact C-N 3.35Å; F153-L156 PolarHBondContact O-N 2.95Å; F153-T157 PolarHBondContact O-N 3.18Å; F153-T157 PolarHBondContact O-OG1 3.47Å
154Y97.8Very high97.9Very high51 Ų5141.7 Ų41.720%0.222%0.221CC..Hα-helixtrans-66.4-40.5176.6-59.4-60.3000111.4E141 D144 N150 S151 L156 T157 E158E141-Y154 WeakPolarHBondContact CA-OH 3.49Å; E141-Y154 HydrophobicContact CG-CE2 4.04Å; D144-Y154 WeakPolarHBondContact CB-OH 3.22Å; D144-Y154 VanDerWaalsContact CG-OH 3.26Å; D144-Y154 WeakPolarHBondContact OD2-CE1 3.28Å; D144-Y154 PolarHBondContact OD2-OH 3.38Å; N150-Y154 VanDerWaalsContact O-CD2 3.3Å; N150-Y154 WeakPolarHBondContact O-CD2 3.42Å; S151-Y154 PolarHBondContact O-N 2.9Å; Y154-L156 PolarHBondContact O-N 2.98Å; Y154-T157 WeakPolarHBondContact O-CB 3.48Å; Y154-T157 PolarHBondContact O-N 3.49Å; Y154-E158 PolarHBondContact O-N 3.36Å
155K97.7Very high97.9Very high97 Ų9741.4 Ų41.442%0.42222%0.219SC..Hα-helixtrans-58.6-47.5173.7-179.8171.7171.646.30111.6S151 F153 T157 E158 D159S151-K155 WeakPolarHBondContact O-CB 3.5Å; S151-K155 PolarHBondContact O-N 3.17Å; F153-K155 VanDerWaalsContact C-N 3.35Å; K155-T157 VanDerWaalsContact C-N 3.29Å; K155-T157 PolarHBondContact O-N 3.48Å; K155-E158 PolarHBondContact O-N 3.14Å; K155-D159 IonicContact NZ-OD1 3.59Å; K155-D159 IonicContact NZ-OD2 2.87Å; K155-D159 PolarHBondContact NZ-OD2 3.18Å; K155-D159 WeakPolarHBondContact O-CB 3.19Å; K155-D159 PolarHBondContact O-N 2.81Å
156L98.6Very high97.8Very high0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-58.1-44.5175.6171.265.7000111.2I41 I49 W52 I56 D152 F153 Y154 D159 S160I41-L156 HydrophobicContact CD1-CD2 4.05Å; I49-L156 HydrophobicContact CB-CD2 4.3Å; I49-L156 HydrophobicContact CG1-CD2 4.1Å; I49-L156 HydrophobicContact CG2-CB 4.16Å; I49-L156 HydrophobicContact CG2-CD2 4.21Å; W52-L156 HydrophobicContact CB-CD1 3.6Å; W52-L156 HydrophobicContact CB-CD2 4.38Å; I56-L156 HydrophobicContact CD1-CD1 3.92Å; D152-L156 WeakPolarHBondContact O-CB 3.21Å; D152-L156 PolarHBondContact O-N 2.94Å; F153-L156 PolarHBondContact O-N 2.95Å; Y154-L156 PolarHBondContact O-N 2.98Å; L156-D159 PolarHBondContact O-N 2.92Å; L156-S160 WeakPolarHBondContact O-CB 3.39Å; L156-S160 PolarHBondContact O-N 2.91Å; L156-S160 PolarHBondContact O-OG 3.26Å
157T98.5Very high97.6Very high10 Ų1042.1 Ų42.16%0.06122%0.221CC..Hα-helixtrans-61.5-48-179-59.80000111.3L92 V128 F153 Y154 K155 S160 L161L92-T157 HydrophobicContact CD1-CG2 4.17Å; V128-T157 HydrophobicContact CG1-CG2 3.7Å; F153-T157 PolarHBondContact O-N 3.18Å; F153-T157 PolarHBondContact O-OG1 3.47Å; Y154-T157 WeakPolarHBondContact O-CB 3.48Å; Y154-T157 PolarHBondContact O-N 3.49Å; K155-T157 VanDerWaalsContact C-N 3.29Å; K155-T157 PolarHBondContact O-N 3.48Å; T157-S160 PolarHBondContact O-N 2.69Å; T157-L161 WeakPolarHBondContact O-CG 3.09Å; T157-L161 PolarHBondContact O-N 2.98Å; T157-L161 VanDerWaalsContact O-N 3.12Å
158E98Very high97.1Very high65 Ų6545.9 Ų45.930%0.30424%0.241SC..Hα-helixtrans-63.1-48.6177.2-75.8-176-168.600112.1L129 Y154 K155 S160 L161 K162 F172L129-E158 HydrophobicContact CD1-CG 4.35Å; Y154-E158 PolarHBondContact O-N 3.36Å; K155-E158 PolarHBondContact O-N 3.14Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.98Å; E158-L161 PolarHBondContact O-N 3.47Å; E158-K162 WeakPolarHBondContact O-CG 3.03Å; E158-K162 PolarHBondContact O-N 3.35Å; E158-F172 HydrophobicContact CB-CD2 4.46Å; E158-F172 HydrophobicContact CB-CE2 3.68Å; E158-F172 HydrophobicContact CB-CZ 4.26Å; E158-F172 HydrophobicContact CG-CD2 4.03Å; E158-F172 HydrophobicContact CG-CE2 3.72Å; E158-F172 HydrophobicContact CG-CZ 4.45Å; E158-F172 WeakPolarHBondContact O-CZ 3.11Å
159D98Very high96.8Very high24 Ų2451.4 Ų51.413%0.12826%0.26CS..Hα-helixtrans-68.3-31.7-179.1-72.4-12000111.8Q53 I56 K155 L156 K162 F163Q53-D159 PolarHBondContact NE2-OD2 2.89Å; I56-D159 HydrophobicContact CG2-CB 4.45Å; K155-D159 IonicContact NZ-OD1 3.59Å; K155-D159 IonicContact NZ-OD2 2.87Å; K155-D159 PolarHBondContact NZ-OD2 3.18Å; K155-D159 WeakPolarHBondContact O-CB 3.19Å; K155-D159 PolarHBondContact O-N 2.81Å; L156-D159 PolarHBondContact O-N 2.92Å; D159-K162 PolarHBondContact O-N 3.15Å; D159-F163 VanDerWaalsContact O-CB 3.22Å; D159-F163 WeakPolarHBondContact O-CB 3.5Å; D159-F163 PolarHBondContact O-N 3.45Å
160S98.6Very high96.6Very high0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-66-39.8173.2-58.90000111.8I56 P93 L156 T157 E158 A164I56-S160 WeakPolarHBondContact CD1-OG 3.29Å; P93-S160 WeakPolarHBondContact CB-OG 3.43Å; L156-S160 WeakPolarHBondContact O-CB 3.39Å; L156-S160 PolarHBondContact O-N 2.91Å; L156-S160 PolarHBondContact O-OG 3.26Å; T157-S160 PolarHBondContact O-N 2.69Å; E158-S160 VanDerWaalsContact C-N 3.31Å; E158-S160 PolarHBondContact O-N 2.98Å; S160-A164 WeakPolarHBondContact O-CB 3.45Å; S160-A164 PolarHBondContact O-N 3.36Å
161L98.7Very high96.6Very high0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-66.1-46.2174.3-74.8170.2000111P16 L92 L129 T157 E158 F163 A164 F165 F172P16-L161 HydrophobicContact CG-CD2 4.12Å; L92-L161 HydrophobicContact CD1-CD2 4.03Å; L92-L161 HydrophobicContact CD1-CG 3.9Å; L92-L161 HydrophobicContact CD2-CD2 4.17Å; L92-L161 HydrophobicContact CD2-CG 4.45Å; L129-L161 HydrophobicContact CD2-CD1 4.3Å; T157-L161 WeakPolarHBondContact O-CG 3.09Å; T157-L161 PolarHBondContact O-N 2.98Å; T157-L161 VanDerWaalsContact O-N 3.12Å; E158-L161 PolarHBondContact O-N 3.47Å; L161-F163 VanDerWaalsContact C-N 3.31Å; L161-F163 PolarHBondContact O-N 2.93Å; L161-A164 PolarHBondContact O-N 3.47Å; L161-F165 HydrophobicContact CB-CD2 4.27Å; L161-F165 HydrophobicContact CB-CE2 3.98Å; L161-F165 HydrophobicContact CD2-CE2 3.99Å; L161-F165 HydrophobicContact CD2-CZ 3.93Å; L161-F165 WeakPolarHBondContact O-CB 3.5Å; L161-F165 WeakPolarHBondContact O-CD2 3.4Å; L161-F165 WeakPolarHBondContact O-CG 3.38Å; L161-F165 PolarHBondContact O-N 2.86Å; L161-F172 HydrophobicContact CB-CE1 3.91Å; L161-F172 HydrophobicContact CB-CZ 3.86Å; L161-F172 HydrophobicContact CD1-CE1 3.92Å; L161-F172 HydrophobicContact CD1-CZ 4.31Å
162K98.2Very high96.7Very high45 Ų4549.4 Ų49.420%0.19624%0.241CC..Hα-helixtrans-57.6-44.5175.4-72.9176.5174-178.30112E158 D159 F165 Q166 K167 D168 F172E158-K162 WeakPolarHBondContact O-CG 3.03Å; E158-K162 PolarHBondContact O-N 3.35Å; D159-K162 PolarHBondContact O-N 3.15Å; K162-F165 CarbonylContact O-C 3.48Å; K162-F165 PolarHBondContact O-N 3.36Å; K162-Q166 WeakPolarHBondContact O-CA 2.98Å; K162-Q166 PolarHBondContact O-N 3.3Å; K162-K167 WeakPolarHBondContact CA-O 3.26Å; K162-K167 VanDerWaalsContact CB-O 3.24Å; K162-K167 WeakPolarHBondContact CB-O 3.44Å; K162-K167 VanDerWaalsContact CG-O 3.32Å; K162-K167 WeakPolarHBondContact CG-O 3.34Å; K162-K167 PolarHBondContact O-N 3.5Å; K162-D168 WeakPolarHBondContact CD-O 3.27Å; K162-D168 VanDerWaalsContact CE-O 3.28Å; K162-D168 WeakPolarHBondContact CE-O 3.43Å; K162-D168 PolarHBondContact NZ-O 3.34Å; K162-F172 HydrophobicContact CD-CE2 4.42Å; K162-F172 HydrophobicContact CG-CE2 4.15Å; K162-F172 HydrophobicContact CG-CZ 3.89Å
163F97.1Very high96.6Very high29 Ų2947.6 Ų47.613%0.12723%0.232CC..Hα-helixtrans-62.1-49.4176.8-177.5-107.4000111.7I56 H60 G96 F97 D159 L161 F165 Q166I56-F163 HydrophobicContact CG2-CB 4.05Å; I56-F163 HydrophobicContact CG2-CD2 4.27Å; I56-F163 HydrophobicContact CG2-CG 4.26Å; H60-F163 AromaticContact NE2-CD2 3.76Å; G96-F163 WeakPolarHBondContact O-CE1 3.37Å; F97-F163 AromaticContact CD1-CE1 3.75Å; F97-F163 HydrophobicContact CD1-CE1 3.75Å; F97-F163 AromaticContact CD1-CZ 3.98Å; F97-F163 HydrophobicContact CD1-CZ 3.98Å; F97-F163 HydrophobicContact CD2-CD1 4.27Å; F97-F163 AromaticContact CD2-CE1 3.78Å; F97-F163 HydrophobicContact CD2-CE1 3.78Å; F97-F163 AromaticContact CE1-CE1 3.63Å; F97-F163 HydrophobicContact CE1-CE1 3.63Å; F97-F163 AromaticContact CE1-CZ 3.65Å; F97-F163 HydrophobicContact CE1-CZ 3.65Å; F97-F163 AromaticContact CE2-CD1 3.94Å; F97-F163 HydrophobicContact CE2-CD1 3.94Å; F97-F163 AromaticContact CE2-CE1 3.64Å; F97-F163 HydrophobicContact CE2-CE1 3.64Å; F97-F163 HydrophobicContact CE2-CZ 4.4Å; F97-F163 AromaticContact CG-CE1 3.84Å; F97-F163 HydrophobicContact CG-CE1 3.84Å; F97-F163 HydrophobicContact CZ-CD1 4.13Å; F97-F163 AromaticContact CZ-CE1 3.57Å; F97-F163 HydrophobicContact CZ-CE1 3.57Å; F97-F163 AromaticContact CZ-CZ 3.87Å; F97-F163 HydrophobicContact CZ-CZ 3.87Å; D159-F163 VanDerWaalsContact O-CB 3.22Å; D159-F163 WeakPolarHBondContact O-CB 3.5Å; D159-F163 PolarHBondContact O-N 3.45Å; L161-F163 VanDerWaalsContact C-N 3.31Å; L161-F163 PolarHBondContact O-N 2.93Å; F163-F165 VanDerWaalsContact C-N 3.35Å; F163-F165 PolarHBondContact O-N 3.18Å; F163-Q166 PolarHBondContact O-N 3.18Å; F163-Q166 VanDerWaalsContact O-N 3.12Å
164A97.9Very high96.6Very high3 Ų349.9 Ų49.93%0.02525%0.245CC..Hα-helixtrans-59.3-44.9176.700000111.9L15 S160 L161 Q166 Y185L15-A164 HydrophobicContact CD2-CB 4.37Å; S160-A164 WeakPolarHBondContact O-CB 3.45Å; S160-A164 PolarHBondContact O-N 3.36Å; L161-A164 PolarHBondContact O-N 3.47Å; A164-Q166 PolarHBondContact O-N 3.31Å; A164-Y185 HydrophobicContact CB-CD2 4.28Å; A164-Y185 HydrophobicContact CB-CE2 3.87Å; A164-Y185 VanDerWaalsContact O-CD2 3.26Å; A164-Y185 WeakPolarHBondContact O-CD2 3.47Å
165F98Very high96.7Very high17 Ų1750 Ų508%0.07525%0.249CC..Hα-helixtrans-74.7-9178.4-60.1-32.9000114.1L15 W120 L161 K162 F163 K167 L170 L178 C181L15-F165 HydrophobicContact CD1-CE1 3.84Å; L15-F165 HydrophobicContact CD1-CZ 4.45Å; L15-F165 HydrophobicContact CD2-CE1 3.91Å; L15-F165 HydrophobicContact CD2-CZ 4.43Å; W120-F165 HydrophobicContact CH2-CZ 4.32Å; W120-F165 HydrophobicContact CZ2-CZ 4.46Å; L161-F165 HydrophobicContact CB-CD2 4.27Å; L161-F165 HydrophobicContact CB-CE2 3.98Å; L161-F165 HydrophobicContact CD2-CE2 3.99Å; L161-F165 HydrophobicContact CD2-CZ 3.93Å; L161-F165 WeakPolarHBondContact O-CB 3.5Å; L161-F165 WeakPolarHBondContact O-CD2 3.4Å; L161-F165 WeakPolarHBondContact O-CG 3.38Å; L161-F165 PolarHBondContact O-N 2.86Å; K162-F165 CarbonylContact O-C 3.48Å; K162-F165 PolarHBondContact O-N 3.36Å; F163-F165 VanDerWaalsContact C-N 3.35Å; F163-F165 PolarHBondContact O-N 3.18Å; F165-K167 HydrophobicContact CB-CB 4.46Å; F165-K167 PolarHBondContact O-N 3.09Å; F165-L170 HydrophobicContact CD2-CD1 4.09Å; F165-L178 HydrophobicContact CE2-CD2 4.18Å; F165-C181 HydrophobicContact CB-CB 4.31Å; F165-C181 HydrophobicContact CD1-CB 3.77Å; F165-C181 HydrophobicContact CD2-CB 3.9Å; F165-C181 HydrophobicContact CE1-CB 3.96Å; F165-C181 HydrophobicContact CE2-CB 4.1Å; F165-C181 HydrophobicContact CG-CB 3.74Å; F165-C181 HydrophobicContact CZ-CB 4.13Å
166Q94.6Very high96.7Very high118 Ų11850.4 Ų50.455%0.55125%0.252SS*.THydrogen-bonded Turntrans52.642.5-172.9-66.2161.659.600112.2K162 F163 A164K162-Q166 WeakPolarHBondContact O-CA 2.98Å; K162-Q166 PolarHBondContact O-N 3.3Å; F163-Q166 PolarHBondContact O-N 3.18Å; F163-Q166 VanDerWaalsContact O-N 3.12Å; A164-Q166 PolarHBondContact O-N 3.31Å
167K94.3Very high96.7Very high82 Ų8252.1 Ų52.136%0.35726%0.262SS..  trans-139.6106.9-179-70.3-175.3-178.4-169.90110.9K162 F165 L170K162-K167 WeakPolarHBondContact CA-O 3.26Å; K162-K167 VanDerWaalsContact CB-O 3.24Å; K162-K167 WeakPolarHBondContact CB-O 3.44Å; K162-K167 VanDerWaalsContact CG-O 3.32Å; K162-K167 WeakPolarHBondContact CG-O 3.34Å; K162-K167 PolarHBondContact O-N 3.5Å; F165-K167 HydrophobicContact CB-CB 4.46Å; F165-K167 PolarHBondContact O-N 3.09Å; K167-L170 HydrophobicContact CB-CD1 4.15Å; K167-L170 HydrophobicContact CD-CD1 4.11Å
168D88.5Confident96.7Very high102 Ų10251.6 Ų51.655%0.54526%0.259SS..SBendtrans-76.3-36.4-179.3-64.6-26.7000112.9H60 K162H60-D168 IonicContact CE1-OD1 3.82Å; H60-D168 PolarHBondContact CE1-OD1 3.43Å; H60-D168 IonicContact ND1-OD1 2.97Å; H60-D168 PolarHBondContact ND1-OD1 3.35Å; H60-D168 IonicContact NE2-OD1 2.6Å; K162-D168 WeakPolarHBondContact CD-O 3.27Å; K162-D168 VanDerWaalsContact CE-O 3.28Å; K162-D168 WeakPolarHBondContact CE-O 3.43Å; K162-D168 PolarHBondContact NZ-O 3.34Å
169D90.5Very high96.8Very high162 Ų16248.9 Ų48.987%0.86625%0.247SC*.SBendtrans-100.893.6176.2-17018.7000109.6
170L94Very high96.8Very high15 Ų1552.3 Ų52.38%0.07926%0.262CS..  trans-132.4122.4-178-170.4134.4000110F165 K167 F172 V177 L178 C181F165-L170 HydrophobicContact CD2-CD1 4.09Å; K167-L170 HydrophobicContact CB-CD1 4.15Å; K167-L170 HydrophobicContact CD-CD1 4.11Å; L170-F172 HydrophobicContact CD2-CB 4.49Å; L170-F172 HydrophobicContact CD2-CD1 3.17Å; L170-F172 HydrophobicContact CD2-CD2 4.34Å; L170-F172 HydrophobicContact CD2-CE1 3.29Å; L170-F172 HydrophobicContact CD2-CE2 4.4Å; L170-F172 HydrophobicContact CD2-CG 3.76Å; L170-F172 HydrophobicContact CD2-CZ 3.93Å; L170-F172 PolarHBondContact O-N 3.41Å; L170-F172 VanDerWaalsContact O-N 3.16Å; L170-V177 HydrophobicContact CD1-CG1 3.94Å; L170-V177 HydrophobicContact CG-CG1 3.92Å; L170-L178 HydrophobicContact CD2-CD2 4.16Å; L170-C181 WeakPolarHBondContact CD1-SG 3.36Å
171N96.4Very high96.8Very high95 Ų9552.5 Ų52.551%0.50826%0.263SS..  trans-77.998.2170.9-178.25.2000109.7D173 D174N171-D173 PolarHBondContact O-N 3.43Å; N171-D173 WeakPolarHBondContact OD1-CB 3.42Å; N171-D173 PolarHBondContact OD1-N 2.81Å; N171-D174 HydrophobicContact CB-CB 4.24Å; N171-D174 PolarHBondContact O-N 3.28Å; N171-D174 VanDerWaalsContact O-N 3.08Å
172F97.5Very high96.8Very high20 Ų2052.8 Ų52.89%0.08826%0.264CS..THydrogen-bonded Turntrans-64.2-15.4178.4-80.7-54.8000114.2R125 L129 E158 L161 K162 L170 L178R125-F172 PolarHBondContact NH1-O 2.92Å; R125-F172 PolarHBondContact NH2-O 3.38Å; L129-F172 HydrophobicContact CD1-CB 4.37Å; L129-F172 HydrophobicContact CD1-CD1 4.44Å; L129-F172 HydrophobicContact CD1-CG 4.26Å; L129-F172 HydrophobicContact CD2-CB 3.87Å; L129-F172 HydrophobicContact CD2-CD1 3.28Å; L129-F172 HydrophobicContact CD2-CE1 3.98Å; L129-F172 HydrophobicContact CD2-CG 3.75Å; L129-F172 HydrophobicContact CG-CB 4.41Å; L129-F172 HydrophobicContact CG-CD1 4.44Å; E158-F172 HydrophobicContact CB-CD2 4.46Å; E158-F172 HydrophobicContact CB-CE2 3.68Å; E158-F172 HydrophobicContact CB-CZ 4.26Å; E158-F172 HydrophobicContact CG-CD2 4.03Å; E158-F172 HydrophobicContact CG-CE2 3.72Å; E158-F172 HydrophobicContact CG-CZ 4.45Å; E158-F172 WeakPolarHBondContact O-CZ 3.11Å; L161-F172 HydrophobicContact CB-CE1 3.91Å; L161-F172 HydrophobicContact CB-CZ 3.86Å; L161-F172 HydrophobicContact CD1-CE1 3.92Å; L161-F172 HydrophobicContact CD1-CZ 4.31Å; K162-F172 HydrophobicContact CD-CE2 4.42Å; K162-F172 HydrophobicContact CG-CE2 4.15Å; K162-F172 HydrophobicContact CG-CZ 3.89Å; L170-F172 HydrophobicContact CD2-CB 4.49Å; L170-F172 HydrophobicContact CD2-CD1 3.17Å; L170-F172 HydrophobicContact CD2-CD2 4.34Å; L170-F172 HydrophobicContact CD2-CE1 3.29Å; L170-F172 HydrophobicContact CD2-CE2 4.4Å; L170-F172 HydrophobicContact CD2-CG 3.76Å; L170-F172 HydrophobicContact CD2-CZ 3.93Å; L170-F172 PolarHBondContact O-N 3.41Å; L170-F172 VanDerWaalsContact O-N 3.16Å; F172-L178 HydrophobicContact CD1-CD2 4.02Å; F172-L178 HydrophobicContact CE1-CD2 4.38Å
173D98.1Very high96.8Very high49 Ų4953.9 Ų53.926%0.26227%0.272SS..THydrogen-bonded Turntrans-85.3-9.5174.6-75.7-24.3000113.5R125 K131 S132 N171R125-D173 PolarHBondContact NH2-O 3.28Å; K131-D173 WeakPolarHBondContact CA-OD1 3.3Å; K131-D173 PolarHBondContact NZ-O 2.96Å; S132-D173 WeakPolarHBondContact CB-OD2 3.44Å; S132-D173 PolarHBondContact N-OD1 2.86Å; S132-D173 PolarHBondContact N-OD2 3.01Å; S132-D173 PolarHBondContact OG-OD1 3.47Å; S132-D173 PolarHBondContact OG-OD2 3.17Å; N171-D173 PolarHBondContact O-N 3.43Å; N171-D173 WeakPolarHBondContact OD1-CB 3.42Å; N171-D173 PolarHBondContact OD1-N 2.81Å
174D98.3Very high96.9Very high64 Ų6456.4 Ų56.434%0.34228%0.284SS..  trans-87.8111.4176-167.5-33.3000110.5N171 Q176 V177 L178N171-D174 HydrophobicContact CB-CB 4.24Å; N171-D174 PolarHBondContact O-N 3.28Å; N171-D174 VanDerWaalsContact O-N 3.08Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.4Å; D174-Q176 PolarHBondContact OD1-N 2.77Å; D174-V177 HydrophobicContact CB-CB 3.95Å; D174-V177 HydrophobicContact CB-CG2 3.82Å; D174-V177 VanDerWaalsContact CG-CG2 3.5Å; D174-V177 PolarHBondContact OD1-N 2.8Å; D174-L178 PolarHBondContact O-N 3.18Å
175D98.7Very high96.9Very high54 Ų5456.6 Ų56.629%0.28928%0.284SS..Hα-helixtrans-69.6-33.8-179.1-74.1-22.3000112.5L121 R125 K131 L178 L179L121-D175 HydrophobicContact CD2-CB 3.62Å; R125-D175 IonicContact CZ-OD1 2.85Å; R125-D175 IonicContact NE-OD1 2.77Å; R125-D175 PolarHBondContact NE-OD1 2.71Å; R125-D175 IonicContact NH2-OD1 3Å; R125-D175 PolarHBondContact NH2-OD1 3.4Å; K131-D175 WeakPolarHBondContact CE-OD2 3.42Å; K131-D175 IonicContact NZ-OD1 2.71Å; K131-D175 PolarHBondContact NZ-OD1 2.88Å; K131-D175 IonicContact NZ-OD2 3.52Å; K131-D175 PolarHBondContact NZ-OD2 3.21Å; D175-L178 PolarHBondContact O-N 3.42Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.45Å; D175-L179 PolarHBondContact O-N 2.93Å
176Q98.6Very high97Very high104 Ų10456.3 Ų56.349%0.48628%0.284SS..Hα-helixtrans-68.4-42.3-180-178.35734.700109.9D174 L178 L179 E180D174-Q176 WeakPolarHBondContact OD1-CB 3.4Å; D174-Q176 PolarHBondContact OD1-N 2.77Å; Q176-L178 VanDerWaalsContact C-N 3.34Å; Q176-L178 PolarHBondContact O-N 3.33Å; Q176-L179 PolarHBondContact O-N 3.21Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.19Å; Q176-E180 PolarHBondContact NE2-OE1 3.41Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 3.46Å
177V98.3Very high97.2Very high36 Ų3655.7 Ų55.722%0.21828%0.276CS..Hα-helixtrans-59.3-43.9173.7172.30000111.4L170 D174 E180 C181L170-V177 HydrophobicContact CD1-CG1 3.94Å; L170-V177 HydrophobicContact CG-CG1 3.92Å; D174-V177 HydrophobicContact CB-CB 3.95Å; D174-V177 HydrophobicContact CB-CG2 3.82Å; D174-V177 VanDerWaalsContact CG-CG2 3.5Å; D174-V177 PolarHBondContact OD1-N 2.8Å; V177-E180 PolarHBondContact O-N 2.68Å; V177-C181 WeakPolarHBondContact O-CB 3.38Å; V177-C181 PolarHBondContact O-N 2.94Å; V177-C181 PolarHBondContact O-SG 3.46Å
178L98.6Very high97.4Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-64.7-40.9178.2-79.2178.5000113W120 L121 L124 L129 F165 L170 F172 D174 D175 Q176 C181 Y182W120-L178 HydrophobicContact CH2-CB 4.46Å; W120-L178 HydrophobicContact CZ3-CB 4.32Å; W120-L178 WeakPolarHBondContact CZ3-O 3.16Å; L121-L178 HydrophobicContact CD1-CB 4.03Å; L121-L178 HydrophobicContact CD1-CD1 3.83Å; L124-L178 HydrophobicContact CD2-CD1 4.18Å; L129-L178 HydrophobicContact CD2-CD1 4.18Å; F165-L178 HydrophobicContact CE2-CD2 4.18Å; L170-L178 HydrophobicContact CD2-CD2 4.16Å; F172-L178 HydrophobicContact CD1-CD2 4.02Å; F172-L178 HydrophobicContact CE1-CD2 4.38Å; D174-L178 PolarHBondContact O-N 3.18Å; D175-L178 PolarHBondContact O-N 3.42Å; Q176-L178 VanDerWaalsContact C-N 3.34Å; Q176-L178 PolarHBondContact O-N 3.33Å; L178-C181 PolarHBondContact O-N 2.87Å; L178-Y182 PolarHBondContact O-N 2.82Å
179L98.8Very high97.9Very high8 Ų848.7 Ų48.74%0.04224%0.243CC..Hα-helixtrans-64.4-41.2176.6-71167.8000111.6K117 Y118 L121 D175 Q176 Y182 D183K117-L179 HydrophobicContact CB-CD2 3.91Å; K117-L179 HydrophobicContact CD-CD2 4.18Å; K117-L179 HydrophobicContact CG-CD2 3.94Å; K117-L179 VanDerWaalsContact O-CD2 3.27Å; K117-L179 WeakPolarHBondContact O-CD2 3.44Å; Y118-L179 HydrophobicContact CD1-CD1 4.02Å; Y118-L179 HydrophobicContact CD1-CD2 4.25Å; Y118-L179 HydrophobicContact CE1-CD1 3.77Å; L121-L179 HydrophobicContact CB-CD2 3.92Å; L121-L179 HydrophobicContact CD2-CD1 4Å; L121-L179 HydrophobicContact CD2-CD2 4.07Å; L121-L179 HydrophobicContact CD2-CG 3.9Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.45Å; D175-L179 PolarHBondContact O-N 2.93Å; Q176-L179 PolarHBondContact O-N 3.21Å; L179-Y182 PolarHBondContact O-N 3.36Å; L179-D183 PolarHBondContact O-N 2.86Å
180E98.6Very high98.3Very high96 Ų9645.5 Ų45.545%0.44922%0.223SC..Hα-helixtrans-64.5-41.3174.8-73.4169.9-166.700111.8Q176 V177 Y182 D183 E184Q176-E180 WeakPolarHBondContact CG-OE1 3.19Å; Q176-E180 PolarHBondContact NE2-OE1 3.41Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 3.46Å; V177-E180 PolarHBondContact O-N 2.68Å; E180-Y182 VanDerWaalsContact C-N 3.32Å; E180-Y182 PolarHBondContact O-N 2.69Å; E180-D183 PolarHBondContact O-N 2.87Å; E180-E184 WeakPolarHBondContact O-CB 3.36Å; E180-E184 PolarHBondContact O-N 2.85Å
181C98.7Very high98.5Very high3 Ų350.4 Ų50.42%0.0225%0.245CC..Hα-helixtrans-64.9-37.2176.2-66.80000112.1F165 L170 V177 L178 Y185F165-C181 HydrophobicContact CB-CB 4.31Å; F165-C181 HydrophobicContact CD1-CB 3.77Å; F165-C181 HydrophobicContact CD2-CB 3.9Å; F165-C181 HydrophobicContact CE1-CB 3.96Å; F165-C181 HydrophobicContact CE2-CB 4.1Å; F165-C181 HydrophobicContact CG-CB 3.74Å; F165-C181 HydrophobicContact CZ-CB 4.13Å; L170-C181 WeakPolarHBondContact CD1-SG 3.36Å; V177-C181 WeakPolarHBondContact O-CB 3.38Å; V177-C181 PolarHBondContact O-N 2.94Å; V177-C181 PolarHBondContact O-SG 3.46Å; L178-C181 PolarHBondContact O-N 2.87Å; C181-Y185 WeakPolarHBondContact O-CB 3.18Å; C181-Y185 PolarHBondContact O-N 2.93Å
182Y98.8Very high98.5Very high6 Ų648.5 Ų48.52%0.02424%0.237CC..Hα-helixtrans-63-50.3174.1178.2-95.5000112.2L15 T18 R115 K117 W120 L178 L179 E180 N186L15-Y182 HydrophobicContact CD1-CD2 3.64Å; L15-Y182 HydrophobicContact CD1-CE2 4.22Å; T18-Y182 HydrophobicContact CG2-CE2 3.83Å; R115-Y182 PolarHBondContact N-OH 3.44Å; R115-Y182 PolarHBondContact O-OH 2.89Å; K117-Y182 HydrophobicContact CB-CD1 3.62Å; K117-Y182 HydrophobicContact CB-CE1 3.69Å; W120-Y182 HydrophobicContact CB-CE2 4.14Å; W120-Y182 AromaticContact CD1-CE2 3.76Å; W120-Y182 AromaticContact CD2-CD2 3.38Å; W120-Y182 HydrophobicContact CD2-CD2 3.38Å; W120-Y182 AromaticContact CD2-CE2 3.76Å; W120-Y182 HydrophobicContact CD2-CE2 3.76Å; W120-Y182 HydrophobicContact CD2-CG 4Å; W120-Y182 AromaticContact CE2-CD2 3.53Å; W120-Y182 AromaticContact CE3-CD2 3.68Å; W120-Y182 HydrophobicContact CE3-CD2 3.68Å; W120-Y182 HydrophobicContact CE3-CE2 4.38Å; W120-Y182 AromaticContact CE3-CG 3.8Å; W120-Y182 HydrophobicContact CE3-CG 3.8Å; W120-Y182 AromaticContact CG-CD2 3.79Å; W120-Y182 HydrophobicContact CG-CD2 3.79Å; W120-Y182 AromaticContact CG-CE2 3.6Å; W120-Y182 HydrophobicContact CG-CE2 3.6Å; W120-Y182 HydrophobicContact CH2-CD2 4.19Å; W120-Y182 HydrophobicContact CH2-CG 4.45Å; W120-Y182 AromaticContact CZ2-CD2 3.93Å; W120-Y182 HydrophobicContact CZ2-CD2 3.93Å; W120-Y182 HydrophobicContact CZ3-CD2 4.08Å; W120-Y182 HydrophobicContact CZ3-CG 4.06Å; W120-Y182 AromaticContact NE1-CD2 3.96Å; W120-Y182 AromaticContact NE1-CE2 3.98Å; L178-Y182 PolarHBondContact O-N 2.82Å; L179-Y182 PolarHBondContact O-N 3.36Å; E180-Y182 VanDerWaalsContact C-N 3.32Å; E180-Y182 PolarHBondContact O-N 2.69Å; Y182-N186 WeakPolarHBondContact CD1-ND2 3.48Å; Y182-N186 WeakPolarHBondContact CE1-ND2 3.47Å; Y182-N186 VanDerWaalsContact CE2-ND2 3.31Å; Y182-N186 WeakPolarHBondContact CE2-ND2 3.1Å; Y182-N186 WeakPolarHBondContact O-CB 3.45Å; Y182-N186 VanDerWaalsContact O-CG 3.31Å; Y182-N186 PolarHBondContact O-N 3.45Å; Y182-N186 VanDerWaalsContact O-N 3.08Å; Y182-N186 PolarHBondContact O-ND2 2.93Å
183D98.8Very high98.6Very high68 Ų6847.8 Ų47.836%0.36423%0.234SC..Hα-helixtrans-61.8-46.1179.8-75.4-18.5000110.7K117 L179 E180 N186 R187K117-D183 WeakPolarHBondContact CD-OD1 3.05Å; K117-D183 WeakPolarHBondContact CD-OD2 3.16Å; K117-D183 IonicContact NZ-OD2 2.86Å; K117-D183 PolarHBondContact NZ-OD2 2.87Å; L179-D183 PolarHBondContact O-N 2.86Å; E180-D183 PolarHBondContact O-N 2.87Å; D183-N186 PolarHBondContact O-N 3.03Å; D183-R187 WeakPolarHBondContact O-CB 3.21Å; D183-R187 PolarHBondContact O-N 3.35Å
184E98.7Very high98.6Very high82 Ų8248.1 Ų48.138%0.38324%0.239SC..Hα-helixtrans-65.3-44.6-179.6178.458.3-171.400112.6E180 R187 L188E180-E184 WeakPolarHBondContact O-CB 3.36Å; E180-E184 PolarHBondContact O-N 2.85Å; E184-R187 PolarHBondContact O-N 2.79Å; E184-R187 IonicContact OE1-CZ 3.25Å; E184-R187 IonicContact OE1-NH2 2.82Å; E184-R187 PolarHBondContact OE1-NH2 2.72Å; E184-R187 IonicContact OE2-CZ 3.33Å; E184-R187 VanDerWaalsContact OE2-CZ 3.25Å; E184-R187 IonicContact OE2-NE 3.47Å; E184-R187 PolarHBondContact OE2-NE 2.93Å; E184-R187 IonicContact OE2-NH2 3.69Å; E184-R187 PolarHBondContact OE2-NH2 3.15Å; E184-L188 WeakPolarHBondContact O-CB 3.39Å; E184-L188 PolarHBondContact O-N 3.08Å
185Y98.8Very high98.5Very high7 Ų750.2 Ų50.23%0.02726%0.259CS..Hα-helixtrans-60.1-49.3177.5174.7-91.3000111.5A13 L15 C95 L112 A164 C181 R187 L188 V189A13-Y185 WeakPolarHBondContact O-CE1 3.27Å; A13-Y185 PolarHBondContact O-OH 3.3Å; L15-Y185 HydrophobicContact CD1-CD1 3.53Å; L15-Y185 HydrophobicContact CD1-CE1 4.07Å; L15-Y185 HydrophobicContact CD1-CG 4.07Å; L15-Y185 HydrophobicContact CD2-CD1 4.02Å; L15-Y185 HydrophobicContact CD2-CE1 3.9Å; L15-Y185 HydrophobicContact CD2-CE2 4.44Å; L15-Y185 HydrophobicContact CD2-CG 4.34Å; L15-Y185 HydrophobicContact CG-CD1 3.61Å; L15-Y185 HydrophobicContact CG-CE1 3.58Å; L15-Y185 HydrophobicContact CG-CG 4.33Å; C95-Y185 PolarHBondContact O-OH 2.87Å; L112-Y185 HydrophobicContact CD1-CE1 4.5Å; A164-Y185 HydrophobicContact CB-CD2 4.28Å; A164-Y185 HydrophobicContact CB-CE2 3.87Å; A164-Y185 VanDerWaalsContact O-CD2 3.26Å; A164-Y185 WeakPolarHBondContact O-CD2 3.47Å; C181-Y185 WeakPolarHBondContact O-CB 3.18Å; C181-Y185 PolarHBondContact O-N 2.93Å; Y185-R187 VanDerWaalsContact C-N 3.3Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-L188 PolarHBondContact O-N 2.93Å; Y185-V189 HydrophobicContact CD1-CG2 4.21Å; Y185-V189 HydrophobicContact CE1-CG2 3.74Å; Y185-V189 HydrophobicContact CE2-CG2 4.2Å; Y185-V189 WeakPolarHBondContact O-CG2 3.39Å; Y185-V189 PolarHBondContact O-N 3.42Å
186N98.9Very high98.4Very high11 Ų1153.7 Ų53.76%0.05928%0.278CS..Hα-helixtrans-64.8-35.9-179-71.4-41.9000112.2Y182 D183 Q190Y182-N186 WeakPolarHBondContact CD1-ND2 3.48Å; Y182-N186 WeakPolarHBondContact CE1-ND2 3.47Å; Y182-N186 VanDerWaalsContact CE2-ND2 3.31Å; Y182-N186 WeakPolarHBondContact CE2-ND2 3.1Å; Y182-N186 WeakPolarHBondContact O-CB 3.45Å; Y182-N186 VanDerWaalsContact O-CG 3.31Å; Y182-N186 PolarHBondContact O-N 3.45Å; Y182-N186 VanDerWaalsContact O-N 3.08Å; Y182-N186 PolarHBondContact O-ND2 2.93Å; D183-N186 PolarHBondContact O-N 3.03Å; N186-Q190 WeakPolarHBondContact O-CG 3.1Å; N186-Q190 PolarHBondContact O-N 3.23Å; N186-Q190 PolarHBondContact O-NE2 3.27Å
187R98.7Very high98.3Very high105 Ų10550.9 Ų50.940%0.39626%0.262SS..Hα-helixtrans-63.6-50.1173-175.1-174.370.977.94110.5D183 E184 Y185 V189 Q190 E191D183-R187 WeakPolarHBondContact O-CB 3.21Å; D183-R187 PolarHBondContact O-N 3.35Å; E184-R187 PolarHBondContact O-N 2.79Å; E184-R187 IonicContact OE1-CZ 3.25Å; E184-R187 IonicContact OE1-NH2 2.82Å; E184-R187 PolarHBondContact OE1-NH2 2.72Å; E184-R187 IonicContact OE2-CZ 3.33Å; E184-R187 VanDerWaalsContact OE2-CZ 3.25Å; E184-R187 IonicContact OE2-NE 3.47Å; E184-R187 PolarHBondContact OE2-NE 2.93Å; E184-R187 IonicContact OE2-NH2 3.69Å; E184-R187 PolarHBondContact OE2-NH2 3.15Å; Y185-R187 VanDerWaalsContact C-N 3.3Å; Y185-R187 PolarHBondContact O-N 3.37Å; R187-V189 VanDerWaalsContact C-N 3.34Å; R187-V189 PolarHBondContact O-N 3.22Å; R187-Q190 PolarHBondContact O-N 2.66Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; R187-E191 WeakPolarHBondContact CG-OE1 3.37Å; R187-E191 IonicContact CZ-OE1 3.68Å; R187-E191 IonicContact CZ-OE2 3.74Å; R187-E191 IonicContact NH1-OE1 2.72Å; R187-E191 PolarHBondContact NH1-OE1 2.9Å; R187-E191 IonicContact NH1-OE2 2.68Å; R187-E191 PolarHBondContact NH1-OE2 2.82Å; R187-E191 WeakPolarHBondContact O-CG 3.22Å; R187-E191 PolarHBondContact O-N 2.68Å
188L98.5Very high98.4Very high37 Ų3750.3 Ų50.319%0.19426%0.258CS..Hα-helixtrans-62.5-38.9-178.4-177.863000112.7E184 Y185 E191 T192E184-L188 WeakPolarHBondContact O-CB 3.39Å; E184-L188 PolarHBondContact O-N 3.08Å; Y185-L188 PolarHBondContact O-N 2.93Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-T192 VanDerWaalsContact O-CB 3.24Å; L188-T192 WeakPolarHBondContact O-CB 3.05Å; L188-T192 PolarHBondContact O-N 2.81Å; L188-T192 PolarHBondContact O-OG1 3.3Å
189V98.8Very high98.4Very high0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-60.4-48.6173.7173.50000110.3A13 Y98 L112 Y185 R187 E191 T192 V193A13-V189 HydrophobicContact CB-CG1 3.78Å; A13-V189 HydrophobicContact CB-CG2 4.11Å; Y98-V189 HydrophobicContact CD1-CG2 4.42Å; Y98-V189 HydrophobicContact CE1-CG2 3.85Å; Y98-V189 HydrophobicContact CE2-CG2 4.35Å; L112-V189 HydrophobicContact CB-CG1 4.35Å; L112-V189 HydrophobicContact CD1-CB 4.41Å; L112-V189 HydrophobicContact CD1-CG1 4.12Å; L112-V189 HydrophobicContact CD2-CB 4.09Å; L112-V189 HydrophobicContact CD2-CG1 3.91Å; L112-V189 HydrophobicContact CG-CG1 4.34Å; Y185-V189 HydrophobicContact CD1-CG2 4.21Å; Y185-V189 HydrophobicContact CE1-CG2 3.74Å; Y185-V189 HydrophobicContact CE2-CG2 4.2Å; Y185-V189 WeakPolarHBondContact O-CG2 3.39Å; Y185-V189 PolarHBondContact O-N 3.42Å; R187-V189 VanDerWaalsContact C-N 3.34Å; R187-V189 PolarHBondContact O-N 3.22Å; V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.32Å; V189-T192 PolarHBondContact O-N 3Å; V189-V193 HydrophobicContact CG1-CG2 3.98Å; V189-V193 WeakPolarHBondContact O-CB 3.32Å; V189-V193 VanDerWaalsContact O-CG2 3.26Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 3.35Å
190Q98.7Very high98.4Very high96 Ų9653.4 Ų53.445%0.44928%0.276SS..Hα-helixtrans-64.5-30.4179.7-74.4172.686.800113.3L112 N186 R187 L198 V200L112-Q190 HydrophobicContact CD2-CG 3.79Å; N186-Q190 WeakPolarHBondContact O-CG 3.1Å; N186-Q190 PolarHBondContact O-N 3.23Å; N186-Q190 PolarHBondContact O-NE2 3.27Å; R187-Q190 PolarHBondContact O-N 2.66Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; Q190-L198 HydrophobicContact CB-CD2 4.33Å; Q190-L198 HydrophobicContact CG-CD2 3.96Å; Q190-V200 HydrophobicContact CG-CG2 4.03Å
191E98.4Very high98.4Very high118 Ų11849.2 Ų49.255%0.55126%0.257SS*.Hα-helixtrans-79-32.5175.6-72.8173.7-176.400113.1R187 L188 V189R187-E191 WeakPolarHBondContact CG-OE1 3.37Å; R187-E191 IonicContact CZ-OE1 3.68Å; R187-E191 IonicContact CZ-OE2 3.74Å; R187-E191 IonicContact NH1-OE1 2.72Å; R187-E191 PolarHBondContact NH1-OE1 2.9Å; R187-E191 IonicContact NH1-OE2 2.68Å; R187-E191 PolarHBondContact NH1-OE2 2.82Å; R187-E191 WeakPolarHBondContact O-CG 3.22Å; R187-E191 PolarHBondContact O-N 2.68Å; L188-E191 PolarHBondContact O-N 3.43Å; V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.32Å
192T97.8Very high98.3Very high54 Ų5456.8 Ų56.833%0.33129%0.285SS..Hα-helixtrans-83-39.1-175.7-580000112.1Y98 K99 L188 V189Y98-T192 HydrophobicContact CE2-CG2 4.06Å; Y98-T192 PolarHBondContact OH-OG1 3.27Å; K99-T192 HydrophobicContact CD-CG2 4.18Å; K99-T192 HydrophobicContact CG-CG2 4.13Å; L188-T192 VanDerWaalsContact O-CB 3.24Å; L188-T192 WeakPolarHBondContact O-CB 3.05Å; L188-T192 PolarHBondContact O-N 2.81Å; L188-T192 PolarHBondContact O-OG1 3.3Å; V189-T192 PolarHBondContact O-N 3Å
193V98.5Very high98.1Very high5 Ų560.7 Ų60.73%0.0331%0.306CS..SBendtrans-84.9128.4-173.2-1750000109.9Y98 M102 V110 V189 S195 R197 L198Y98-V193 HydrophobicContact CD2-CG2 3.92Å; Y98-V193 HydrophobicContact CE2-CG2 3.8Å; M102-V193 HydrophobicContact CE-CB 4.47Å; M102-V193 HydrophobicContact CE-CG1 4.03Å; M102-V193 HydrophobicContact CE-CG2 4.43Å; M102-V193 HydrophobicContact SD-CB 4.4Å; M102-V193 HydrophobicContact SD-CG1 4.08Å; M102-V193 HydrophobicContact SD-CG2 3.79Å; V110-V193 HydrophobicContact CB-CG1 3.79Å; V110-V193 HydrophobicContact CG1-CG1 4.13Å; V110-V193 HydrophobicContact CG1-CG2 4.15Å; V110-V193 HydrophobicContact CG2-CG1 3.8Å; V189-V193 HydrophobicContact CG1-CG2 3.98Å; V189-V193 WeakPolarHBondContact O-CB 3.32Å; V189-V193 VanDerWaalsContact O-CG2 3.26Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 3.35Å; V193-S195 PolarHBondContact O-N 3.31Å; V193-R197 HydrophobicContact CG1-CB 4.48Å; V193-L198 HydrophobicContact CB-CB 4.26Å; V193-L198 HydrophobicContact CB-CD1 4.35Å; V193-L198 HydrophobicContact CB-CD2 4.3Å; V193-L198 HydrophobicContact CG1-CB 3.78Å; V193-L198 HydrophobicContact CG1-CD1 4.2Å; V193-L198 HydrophobicContact CG1-CG 4.42Å
194P97.9Very high97.7Very high56 Ų5661 Ų6136%0.36433%0.325SS..  trans-53.4132.3173.7-26.234.9000111.6D196 R197 L198P194-D196 WeakPolarHBondContact CB-OD1 3.19Å; P194-D196 PolarHBondContact O-N 3.45Å; P194-R197 HydrophobicContact CB-CB 4.45Å; P194-R197 CarbonylContact O-C 3.53Å; P194-R197 WeakPolarHBondContact O-CA 3.43Å; P194-R197 PolarHBondContact O-N 3.47Å; P194-L198 PolarHBondContact O-N 3.23Å; P194-L198 VanDerWaalsContact O-N 3.16Å
195S96.8Very high97.6Very high109 Ų10960.3 Ų60.376%0.76232%0.324SS*.G310 helixtrans-64.3-26.6-17255.30000113.6V193 R197 L198V193-S195 PolarHBondContact O-N 3.31Å; S195-R197 PolarHBondContact O-N 2.93Å; S195-L198 PolarHBondContact O-N 3.03Å
196D96.8Very high97.5Very high127 Ų12760.9 Ų60.968%0.67933%0.331SS*.G310 helixtrans-71.5-19.2173.264.3-59.8000113P194P194-D196 WeakPolarHBondContact CB-OD1 3.19Å; P194-D196 PolarHBondContact O-N 3.45Å
197R97.5Very high97.5Very high44 Ų4461.3 Ų61.317%0.16633%0.332CS..G310 helixtrans-103.9-1.5176.2-69.3-176.962.3-1691.3113.7Y105 P106 A108 V110 V193 P194 S195 F213Y105-R197 PolarHBondContact O-NH2 3.04Å; P106-R197 PolarHBondContact O-NE 3.47Å; P106-R197 PolarHBondContact O-NH1 2.77Å; P106-R197 PolarHBondContact O-NH2 3.39Å; A108-R197 PolarHBondContact O-NE 3.15Å; A108-R197 PolarHBondContact O-NH2 2.98Å; V110-R197 WeakPolarHBondContact CA-O 3.46Å; V110-R197 WeakPolarHBondContact CB-O 3.41Å; V110-R197 PolarHBondContact N-O 2.85Å; V193-R197 HydrophobicContact CG1-CB 4.48Å; P194-R197 HydrophobicContact CB-CB 4.45Å; P194-R197 CarbonylContact O-C 3.53Å; P194-R197 WeakPolarHBondContact O-CA 3.43Å; P194-R197 PolarHBondContact O-N 3.47Å; S195-R197 PolarHBondContact O-N 2.93Å; R197-F213 WeakPolarHBondContact O-CZ 3.17Å
198L98.9Very high97.5Very high24 Ų2463.4 Ų63.413%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-113.8130.7-175.7-177.464.7000112V110 L112 Q190 V193 P194 S195 V200V110-L198 HydrophobicContact CB-CD1 4.23Å; V110-L198 HydrophobicContact CG1-CD1 3.97Å; V110-L198 WeakPolarHBondContact O-CA 3.36Å; L112-L198 HydrophobicContact CB-CD1 4.05Å; Q190-L198 HydrophobicContact CB-CD2 4.33Å; Q190-L198 HydrophobicContact CG-CD2 3.96Å; V193-L198 HydrophobicContact CB-CB 4.26Å; V193-L198 HydrophobicContact CB-CD1 4.35Å; V193-L198 HydrophobicContact CB-CD2 4.3Å; V193-L198 HydrophobicContact CG1-CB 3.78Å; V193-L198 HydrophobicContact CG1-CD1 4.2Å; V193-L198 HydrophobicContact CG1-CG 4.42Å; P194-L198 PolarHBondContact O-N 3.23Å; P194-L198 VanDerWaalsContact O-N 3.16Å; S195-L198 PolarHBondContact O-N 3.03Å; L198-V200 HydrophobicContact CD2-CG2 4.23Å; L198-V200 HydrophobicContact CG-CG2 4.39Å
199L98.8Very high97.5Very high33 Ų3363.5 Ų63.517%0.17335%0.349CS..EExtended strand (participates in β ladder)trans-116.5127.2159.617772.1000110V110 L111 L112 L201 P209 F213V110-L199 PolarHBondContact O-N 3.48Å; L111-L199 WeakPolarHBondContact CA-O 3.49Å; L111-L199 HydrophobicContact CD2-CB 3.79Å; L111-L199 HydrophobicContact CD2-CD2 3.99Å; L111-L199 HydrophobicContact CD2-CG 4.37Å; L112-L199 PolarHBondContact N-O 3.44Å; L199-L201 HydrophobicContact CD2-CD1 4.16Å; L199-L201 HydrophobicContact CD2-CD2 3.55Å; L199-L201 HydrophobicContact CD2-CG 3.7Å; L199-L201 HydrophobicContact CG-CD2 4.14Å; L199-L201 HydrophobicContact CG-CG 4.02Å; L199-P209 HydrophobicContact CD2-CB 4.48Å; L199-P209 WeakPolarHBondContact CD2-O 3.22Å; L199-F213 HydrophobicContact CB-CB 4.23Å; L199-F213 HydrophobicContact CB-CD1 3.46Å; L199-F213 VanDerWaalsContact CB-CD1 3.46Å; L199-F213 HydrophobicContact CB-CD2 3.9Å; L199-F213 HydrophobicContact CB-CE1 3.6Å; L199-F213 HydrophobicContact CB-CE2 4.07Å; L199-F213 HydrophobicContact CB-CG 3.6Å; L199-F213 HydrophobicContact CB-CZ 3.92Å; L199-F213 HydrophobicContact CD1-CB 4.46Å; L199-F213 HydrophobicContact CD2-CB 3.66Å; L199-F213 HydrophobicContact CD2-CD1 3.93Å; L199-F213 HydrophobicContact CD2-CG 3.93Å; L199-F213 HydrophobicContact CG-CB 4.34Å; L199-F213 HydrophobicContact CG-CD1 4.3Å; L199-F213 HydrophobicContact CG-CG 4.24Å
200V98.8Very high97.5Very high41 Ų4163.5 Ų63.525%0.24835%0.349CS..EExtended strand (participates in β ladder)trans-90.4118.8168.1-177.70000108.3L112 I114 Q190 L198L112-V200 HydrophobicContact CB-CG2 4.46Å; L112-V200 HydrophobicContact CD2-CG2 4.39Å; L112-V200 CarbonylContact O-C 3.53Å; L112-V200 WeakPolarHBondContact O-CA 3.46Å; I114-V200 HydrophobicContact CD1-CG1 3.4Å; I114-V200 HydrophobicContact CG1-CG1 3.72Å; I114-V200 HydrophobicContact CG2-CG1 4.22Å; Q190-V200 HydrophobicContact CG-CG2 4.03Å; L198-V200 HydrophobicContact CD2-CG2 4.23Å; L198-V200 HydrophobicContact CG-CG2 4.39Å
201L98.5Very high97.5Very high8 Ų859 Ų594%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-106.1122.4177.8-74.6169.3000109.5L23 L111 L112 T113 I114 L199 D205 P209 L210L23-L201 HydrophobicContact CD1-CD1 4.32Å; L111-L201 HydrophobicContact CD1-CD1 4.35Å; L111-L201 HydrophobicContact CD2-CD1 4.25Å; L112-L201 PolarHBondContact O-N 2.87Å; T113-L201 CarbonylContact C-O 3.39Å; T113-L201 WeakPolarHBondContact CA-O 3.41Å; T113-L201 HydrophobicContact CG2-CB 4.23Å; I114-L201 PolarHBondContact N-O 3.09Å; L199-L201 HydrophobicContact CD2-CD1 4.16Å; L199-L201 HydrophobicContact CD2-CD2 3.55Å; L199-L201 HydrophobicContact CD2-CG 3.7Å; L199-L201 HydrophobicContact CG-CD2 4.14Å; L199-L201 HydrophobicContact CG-CG 4.02Å; L201-D205 HydrophobicContact CD2-CB 4.22Å; L201-P209 HydrophobicContact CD2-CB 4.22Å; L201-P209 HydrophobicContact CD2-CG 3.95Å; L201-L210 HydrophobicContact CD1-CD1 4.12Å
202R98Very high97.5Very high161 Ų16162 Ų6261%0.60834%0.34SS*.EExtended strand (participates in β ladder)trans-83.5141.4169.2-61.7-179.6-177.2-79.6-4109.2I114 G204 D205I114-R202 HydrophobicContact CD1-CG 3.96Å; I114-R202 HydrophobicContact CG1-CG 3.9Å; I114-R202 CarbonylContact O-C 3.51Å; I114-R202 WeakPolarHBondContact O-CA 3.42Å; R202-G204 PolarHBondContact O-N 3.1Å; R202-D205 PolarHBondContact N-OD2 3.49Å; R202-D205 VanDerWaalsContact O-CB 3.3Å; R202-D205 WeakPolarHBondContact O-CB 3.25Å; R202-D205 VanDerWaalsContact O-CG 3.22Å; R202-D205 PolarHBondContact O-N 3.26Å
203L93.1Very high97.5Very high89 Ų8961.4 Ų61.447%0.46633%0.333SS..THydrogen-bonded Turntrans-54116.7173.5-174.668.9000109.7I114 R115I114-L203 PolarHBondContact O-N 3.36Å; R115-L203 HydrophobicContact CB-CB 4.01Å; R115-L203 HydrophobicContact CB-CD2 4.28Å
204G91.7Very high97.5Very high75 Ų7561.6 Ų61.677%0.77333%0.334SS*.THydrogen-bonded Turntrans108.6-7.6-176.600000115.4R202 G206R202-G204 PolarHBondContact O-N 3.1Å; G204-G206 PolarHBondContact O-N 2.97Å
205D96.2Very high97.5Very high67 Ų6765.6 Ų65.636%0.35835%0.352SS..  trans-62.8-23.5-178.4-81.9-3.2000114.7L201 R202 P209L201-D205 HydrophobicContact CD2-CB 4.22Å; R202-D205 PolarHBondContact N-OD2 3.49Å; R202-D205 VanDerWaalsContact O-CB 3.3Å; R202-D205 WeakPolarHBondContact O-CB 3.25Å; R202-D205 VanDerWaalsContact O-CG 3.22Å; R202-D205 PolarHBondContact O-N 3.26Å; D205-P209 HydrophobicContact CB-CG 3.79Å; D205-P209 WeakPolarHBondContact O-CD 3.42Å
206G96.3Very high97.6Very high18 Ų1862.7 Ų62.719%0.18633%0.329CS..  trans69.4-154.3176.500000114.5G204G204-G206 PolarHBondContact O-N 2.97Å
207W98.7Very high97.6Very high21 Ų2165.2 Ų65.28%0.0834%0.337CS..Hα-helixtrans-75.7-38.8-171.9-71.8123.1000114.7A26 I29 I30 L210 C211 I218 P219 I222 Y224A26-W207 HydrophobicContact CB-CH2 3.69Å; A26-W207 HydrophobicContact CB-CZ3 3.63Å; I29-W207 HydrophobicContact CB-CH2 4.13Å; I29-W207 HydrophobicContact CD1-CH2 4.17Å; I29-W207 HydrophobicContact CD1-CZ2 4.24Å; I29-W207 HydrophobicContact CG2-CH2 4.06Å; I29-W207 HydrophobicContact CG2-CZ2 4.4Å; I30-W207 HydrophobicContact CD1-CE3 4.26Å; I30-W207 HydrophobicContact CD1-CZ3 3.71Å; I30-W207 HydrophobicContact CG1-CZ3 3.86Å; W207-L210 HydrophobicContact CE3-CD2 4.24Å; W207-L210 HydrophobicContact CZ3-CD2 4.23Å; W207-L210 PolarHBondContact O-N 3.31Å; W207-C211 WeakPolarHBondContact O-CB 3.43Å; W207-C211 PolarHBondContact O-N 2.59Å; W207-I218 HydrophobicContact CB-CD1 4.45Å; W207-I218 HydrophobicContact CB-CG1 4.19Å; W207-I218 HydrophobicContact CB-CG2 3.76Å; W207-I218 HydrophobicContact CG-CG2 3.99Å; W207-P219 HydrophobicContact CD2-CG 4.34Å; W207-P219 HydrophobicContact CE3-CG 4.31Å; W207-P219 HydrophobicContact CH2-CG 3.89Å; W207-P219 HydrophobicContact CZ2-CB 4.44Å; W207-P219 HydrophobicContact CZ2-CG 3.92Å; W207-P219 HydrophobicContact CZ3-CG 4.09Å; W207-I222 PolarHBondContact NE1-O 3.33Å; W207-Y224 AromaticContact CD2-CD2 3.71Å; W207-Y224 HydrophobicContact CD2-CD2 3.71Å; W207-Y224 AromaticContact CE3-CD2 3.82Å; W207-Y224 HydrophobicContact CE3-CD2 3.82Å; W207-Y224 HydrophobicContact CE3-CE2 4.29Å; W207-Y224 HydrophobicContact CG-CD2 4.14Å; W207-Y224 HydrophobicContact CH2-CD2 4.48Å; W207-Y224 HydrophobicContact CZ2-CD2 4.38Å; W207-Y224 HydrophobicContact CZ3-CD2 4.21Å; W207-Y224 HydrophobicContact CZ3-CE2 4.46Å; W207-Y224 VanDerWaalsContact NE1-N 3.14Å
208E98.3Very high97.7Very high149 Ų14967.1 Ų67.170%0.69635%0.35SS*.Hα-helixtrans-55.2-54.4-166.2-69.7-174.4172.200114.2L210 K212 I218E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 2.82Å; E208-K212 WeakPolarHBondContact O-CB 3.39Å; E208-K212 PolarHBondContact O-N 3.48Å; E208-K212 VanDerWaalsContact O-N 3.09Å; E208-I218 HydrophobicContact CB-CD1 4.49Å; E208-I218 HydrophobicContact CG-CD1 3.82Å
209P98.6Very high97.6Very high38 Ų3867.1 Ų67.125%0.24735%0.351CS..Hα-helixtrans-67.4-36.3179.724-30.9000112.3L199 L201 D205 F213L199-P209 HydrophobicContact CD2-CB 4.48Å; L199-P209 WeakPolarHBondContact CD2-O 3.22Å; L201-P209 HydrophobicContact CD2-CB 4.22Å; L201-P209 HydrophobicContact CD2-CG 3.95Å; D205-P209 HydrophobicContact CB-CG 3.79Å; D205-P209 WeakPolarHBondContact O-CD 3.42Å; P209-F213 VanDerWaalsContact O-CB 3.23Å; P209-F213 WeakPolarHBondContact O-CB 3.38Å; P209-F213 PolarHBondContact O-N 3.19Å
210L98.7Very high97.5Very high0 Ų073.4 Ų73.40%039%0.385CS..Hα-helixtrans-63.6-55.3178.8176.663000111.4L23 A26 I30 L111 L201 W207 E208 K212 F213 L214 Y224L23-L210 HydrophobicContact CD1-CD1 4.15Å; L23-L210 HydrophobicContact CD1-CD2 4Å; A26-L210 HydrophobicContact CB-CD2 4.09Å; I30-L210 HydrophobicContact CD1-CD2 3.95Å; I30-L210 HydrophobicContact CD1-CG 4.2Å; L111-L210 HydrophobicContact CD1-CD1 3.62Å; L111-L210 HydrophobicContact CD2-CD1 4.2Å; L201-L210 HydrophobicContact CD1-CD1 4.12Å; W207-L210 HydrophobicContact CE3-CD2 4.24Å; W207-L210 HydrophobicContact CZ3-CD2 4.23Å; W207-L210 PolarHBondContact O-N 3.31Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 2.82Å; L210-K212 PolarHBondContact O-N 3.05Å; L210-F213 PolarHBondContact O-N 3.08Å; L210-L214 HydrophobicContact CD1-CD1 3.58Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CG-CD1 4.06Å; L210-L214 WeakPolarHBondContact O-CB 3.38Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.08Å; L210-Y224 HydrophobicContact CD2-CE2 3.94Å
211C98.7Very high97.4Very high2 Ų275.3 Ų75.31%0.01441%0.412CS..Hα-helixtrans-64.2-41.6-177.6-71.40000111.6W207 F213 L214 N215 V216 I218W207-C211 WeakPolarHBondContact O-CB 3.43Å; W207-C211 PolarHBondContact O-N 2.59Å; C211-F213 PolarHBondContact O-N 2.95Å; C211-L214 PolarHBondContact O-N 3.27Å; C211-N215 WeakPolarHBondContact O-CA 3.31Å; C211-N215 PolarHBondContact O-N 3.13Å; C211-V216 HydrophobicContact CB-CG2 4.02Å; C211-V216 WeakPolarHBondContact CB-O 3.47Å; C211-V216 PolarHBondContact O-N 3.28Å; C211-I218 HydrophobicContact CB-CG1 3.73Å
212K98.6Very high97.3Very high182 Ų18278.9 Ų78.979%0.79143%0.431SS*.Hα-helixtrans-58.8-47.7174.4-179.5179178.9179.60111.6E208 L210 N215E208-K212 WeakPolarHBondContact O-CB 3.39Å; E208-K212 PolarHBondContact O-N 3.48Å; E208-K212 VanDerWaalsContact O-N 3.09Å; L210-K212 PolarHBondContact O-N 3.05Å; K212-N215 PolarHBondContact O-N 3.27Å
213F98.7Very high97.3Very high40 Ų4078.4 Ų78.418%0.17544%0.44CS..Hα-helixtrans-67.5-40.6-179.5176.6-112.3000112.2K109 L111 R197 L199 P209 L210 C211 N215K109-F213 HydrophobicContact CB-CE1 3.67Å; K109-F213 HydrophobicContact CB-CZ 3.98Å; K109-F213 HydrophobicContact CD-CD1 4.23Å; K109-F213 HydrophobicContact CD-CE1 3.96Å; K109-F213 HydrophobicContact CD-CZ 4.16Å; K109-F213 WeakPolarHBondContact CD-O 3.48Å; K109-F213 WeakPolarHBondContact CE-O 3.27Å; K109-F213 HydrophobicContact CG-CE1 4.12Å; K109-F213 HydrophobicContact CG-CZ 4.12Å; K109-F213 PolarHBondContact NZ-O 3.36Å; L111-F213 HydrophobicContact CD2-CD1 3.69Å; L111-F213 HydrophobicContact CD2-CE1 3.67Å; R197-F213 WeakPolarHBondContact O-CZ 3.17Å; L199-F213 HydrophobicContact CB-CB 4.23Å; L199-F213 HydrophobicContact CB-CD1 3.46Å; L199-F213 VanDerWaalsContact CB-CD1 3.46Å; L199-F213 HydrophobicContact CB-CD2 3.9Å; L199-F213 HydrophobicContact CB-CE1 3.6Å; L199-F213 HydrophobicContact CB-CE2 4.07Å; L199-F213 HydrophobicContact CB-CG 3.6Å; L199-F213 HydrophobicContact CB-CZ 3.92Å; L199-F213 HydrophobicContact CD1-CB 4.46Å; L199-F213 HydrophobicContact CD2-CB 3.66Å; L199-F213 HydrophobicContact CD2-CD1 3.93Å; L199-F213 HydrophobicContact CD2-CG 3.93Å; L199-F213 HydrophobicContact CG-CB 4.34Å; L199-F213 HydrophobicContact CG-CD1 4.3Å; L199-F213 HydrophobicContact CG-CG 4.24Å; P209-F213 VanDerWaalsContact O-CB 3.23Å; P209-F213 WeakPolarHBondContact O-CB 3.38Å; P209-F213 PolarHBondContact O-N 3.19Å; L210-F213 PolarHBondContact O-N 3.08Å; C211-F213 PolarHBondContact O-N 2.95Å; F213-N215 PolarHBondContact O-N 3.35Å
214L98.3Very high97.5Very high10 Ų1076.9 Ų76.95%0.05243%0.429CS..Hα-helixtrans-74-14.8177.6-65.7-176.7000113.1V10 L27 I30 Y31 K109 L210 C211 V216V10-L214 HydrophobicContact CG2-CD1 4.35Å; V10-L214 HydrophobicContact CG2-CD2 3.7Å; L27-L214 HydrophobicContact CD2-CD1 3.73Å; I30-L214 HydrophobicContact CD1-CD1 4.12Å; Y31-L214 HydrophobicContact CE2-CD1 4.1Å; K109-L214 HydrophobicContact CB-CD2 4.17Å; K109-L214 HydrophobicContact CD-CD2 3.84Å; K109-L214 VanDerWaalsContact NZ-C 3.32Å; K109-L214 PolarHBondContact NZ-O 2.95Å; K109-L214 VanDerWaalsContact NZ-O 3.1Å; L210-L214 HydrophobicContact CD1-CD1 3.58Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CG-CD1 4.06Å; L210-L214 WeakPolarHBondContact O-CB 3.38Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.08Å; C211-L214 PolarHBondContact O-N 3.27Å; L214-V216 HydrophobicContact CB-CG1 4.38Å; L214-V216 HydrophobicContact CB-CG2 3.99Å
215N97.5Very high97.8Very high140 Ų14074.2 Ų74.275%0.74940%0.398SS*.THydrogen-bonded Turntrans61.651.4-174.6-169.761000111.8C211 K212 F213C211-N215 WeakPolarHBondContact O-CA 3.31Å; C211-N215 PolarHBondContact O-N 3.13Å; K212-N215 PolarHBondContact O-N 3.27Å; F213-N215 PolarHBondContact O-N 3.35Å
216V98.1Very high97.7Very high48 Ų4876.5 Ų76.529%0.29142%0.418SS..  trans-131.1161.4177.9-61.10000109.6I30 C211 L214I30-V216 HydrophobicContact CD1-CG2 4.2Å; I30-V216 HydrophobicContact CG1-CG2 4.39Å; I30-V216 HydrophobicContact CG2-CB 4.17Å; I30-V216 HydrophobicContact CG2-CG1 4.03Å; I30-V216 HydrophobicContact CG2-CG2 3.78Å; C211-V216 HydrophobicContact CB-CG2 4.02Å; C211-V216 WeakPolarHBondContact CB-O 3.47Å; C211-V216 PolarHBondContact O-N 3.28Å; L214-V216 HydrophobicContact CB-CG1 4.38Å; L214-V216 HydrophobicContact CB-CG2 3.99Å
217E98Very high97.7Very high180 Ų18076.7 Ų76.784%0.84142%0.415SS*.PPolyproline II helixtrans-73151.9175.3-64-173.7166.200111.4
218I98.5Very high97.4Very high84 Ų8476.8 Ų76.843%0.43142%0.417SS..PPolyproline II helixtrans-72.4129.1170.6-65174.6000108.2W207 E208 C211 N220W207-I218 HydrophobicContact CB-CD1 4.45Å; W207-I218 HydrophobicContact CB-CG1 4.19Å; W207-I218 HydrophobicContact CB-CG2 3.76Å; W207-I218 HydrophobicContact CG-CG2 3.99Å; E208-I218 HydrophobicContact CB-CD1 4.49Å; E208-I218 HydrophobicContact CG-CD1 3.82Å; C211-I218 HydrophobicContact CB-CG1 3.73Å; I218-N220 PolarHBondContact O-N 3.24Å
219P98.3Very high97.2Very high24 Ų2472.1 Ų72.116%0.15640%0.401CS..PPolyproline II helixtrans-56.6120.3177.3-27.636.9000112.2I29 W207 G221 I222I29-P219 HydrophobicContact CG2-CB 3.97Å; I29-P219 HydrophobicContact CG2-CG 3.71Å; W207-P219 HydrophobicContact CD2-CG 4.34Å; W207-P219 HydrophobicContact CE3-CG 4.31Å; W207-P219 HydrophobicContact CH2-CG 3.89Å; W207-P219 HydrophobicContact CZ2-CB 4.44Å; W207-P219 HydrophobicContact CZ2-CG 3.92Å; W207-P219 HydrophobicContact CZ3-CG 4.09Å; P219-G221 PolarHBondContact O-N 3.3Å; P219-I222 HydrophobicContact CB-CB 4.11Å; P219-I222 HydrophobicContact CB-CD1 4.23Å
220N96.6Very high97Very high165 Ų16573.9 Ų73.988%0.88241%0.406SS*.THydrogen-bonded Turntrans-71.5126.7-176.6-174.928.7000111.5I218 I222I218-N220 PolarHBondContact O-N 3.24Å; N220-I222 VanDerWaalsContact C-N 3.25Å; N220-I222 PolarHBondContact O-N 2.96Å
221G96.3Very high96.8Very high80 Ų8079 Ų7983%0.82543%0.43SS*.THydrogen-bonded Turntrans70.814.5176.400000115.3P219P219-G221 PolarHBondContact O-N 3.3Å
222I97.4Very high96.7Very high83 Ų8382 Ų8243%0.42644%0.444SS..  trans-119.2118.5178.4-56.1177.1000108.9I29 W207 P219 N220I29-I222 HydrophobicContact CD1-CG2 4.2Å; I29-I222 HydrophobicContact CG2-CD1 4.3Å; W207-I222 PolarHBondContact NE1-O 3.33Å; P219-I222 HydrophobicContact CB-CB 4.11Å; P219-I222 HydrophobicContact CB-CD1 4.23Å; N220-I222 VanDerWaalsContact C-N 3.25Å; N220-I222 PolarHBondContact O-N 2.96Å
223D97.2Very high96.6Very high151 Ų15174.8 Ų74.881%0.80741%0.413SS*.PPolyproline II helixtrans-67152.2173.6-70.4-32.4000111.3
224Y98.1Very high96.6Very high58 Ų5874.5 Ų74.523%0.22741%0.414CS..PPolyproline II helixtrans-62.8130.2175.5-174.6-88000109.6A26 W207 L210 C226A26-Y224 HydrophobicContact CB-CD2 4.22Å; A26-Y224 HydrophobicContact CB-CE2 3.56Å; W207-Y224 AromaticContact CD2-CD2 3.71Å; W207-Y224 HydrophobicContact CD2-CD2 3.71Å; W207-Y224 AromaticContact CE3-CD2 3.82Å; W207-Y224 HydrophobicContact CE3-CD2 3.82Å; W207-Y224 HydrophobicContact CE3-CE2 4.29Å; W207-Y224 HydrophobicContact CG-CD2 4.14Å; W207-Y224 HydrophobicContact CH2-CD2 4.48Å; W207-Y224 HydrophobicContact CZ2-CD2 4.38Å; W207-Y224 HydrophobicContact CZ3-CD2 4.21Å; W207-Y224 HydrophobicContact CZ3-CE2 4.46Å; W207-Y224 VanDerWaalsContact NE1-N 3.14Å; L210-Y224 HydrophobicContact CD2-CE2 3.94Å; Y224-C226 PolarHBondContact O-N 3Å
225P97.3Very high96.5Very high18 Ų1877.7 Ų77.712%0.11743%0.429CS..PPolyproline II helixtrans-56.1126.4-176.8-27.835.6000112.5S22 N25 A26 I29S22-P225 WeakPolarHBondContact CB-O 3.38Å; S22-P225 PolarHBondContact OG-O 3.07Å; N25-P225 HydrophobicContact CB-CB 3.79Å; N25-P225 HydrophobicContact CB-CG 3.78Å; A26-P225 HydrophobicContact CB-CG 4.35Å; I29-P225 HydrophobicContact CD1-CG 3.74Å
226C94.4Very high96.6Very high116 Ų11671.3 Ų71.378%0.78440%0.395SS*.  trans-123.287.4176.3-169.70000109.4Y224Y224-C226 PolarHBondContact O-N 3Å
227V94.8Very high96.6Very high22 Ų2269.6 Ų69.613%0.13338%0.384CS..  trans-132.9172-167.6-61.90000111.2K21 S22 S229 D255K21-V227 HydrophobicContact CB-CG2 4.44Å; K21-V227 HydrophobicContact CG-CG2 3.83Å; S22-V227 PolarHBondContact OG-N 3.42Å; V227-S229 VanDerWaalsContact C-N 3.34Å; V227-S229 PolarHBondContact O-N 3.36Å; V227-D255 HydrophobicContact CB-CB 4.44Å; V227-D255 HydrophobicContact CG1-CB 3.63Å
228N94.1Very high96.6Very high22 Ų2265.4 Ų65.412%0.11837%0.365CS..  trans62.638.4173.8-167.65.8000112.5R17 K21 M233R17-N228 PolarHBondContact NH1-ND2 3.11Å; R17-N228 PolarHBondContact NH1-O 3.14Å; R17-N228 VanDerWaalsContact NH1-O 3.15Å; R17-N228 PolarHBondContact NH1-OD1 2.87Å; R17-N228 PolarHBondContact NH2-O 3.24Å; K21-N228 HydrophobicContact CB-CB 3.91Å; K21-N228 WeakPolarHBondContact CB-ND2 3.36Å; K21-N228 HydrophobicContact CG-CB 3.95Å; N228-M233 WeakPolarHBondContact OD1-CG 3.42Å; N228-M233 PolarHBondContact OD1-SD 2.82Å
229S94Very high96.6Very high51 Ų5163.4 Ų63.436%0.35735%0.354SS..  trans-66.5154172.978.50000110.8V227 H231 Q232 M233V227-S229 VanDerWaalsContact C-N 3.34Å; V227-S229 PolarHBondContact O-N 3.36Å; S229-H231 PolarHBondContact O-N 3.08Å; S229-Q232 VanDerWaalsContact N-OE1 3.1Å; S229-Q232 PolarHBondContact O-N 2.94Å; S229-Q232 VanDerWaalsContact O-N 3.14Å; S229-Q232 WeakPolarHBondContact OG-CG 3.21Å; S229-Q232 PolarHBondContact OG-N 3.45Å; S229-Q232 VanDerWaalsContact OG-N 3.13Å; S229-M233 WeakPolarHBondContact O-CG 3.49Å; S229-M233 PolarHBondContact O-N 3.37Å
230H93.8Very high96.6Very high75 Ų7562.4 Ų62.435%0.34735%0.347SS..Hα-helixtrans-61.5-31.8178.868.2-100000111.6K126 V127 M233 T234K126-H230 HydrophobicContact CB-CB 4.07Å; V127-H230 HydrophobicContact CG2-CB 3.78Å; H230-M233 PolarHBondContact O-N 3.22Å; H230-T234 WeakPolarHBondContact O-CB 3.31Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 3.07Å; H230-T234 VanDerWaalsContact O-OG1 3.07Å
231H95.2Very high96.7Very high109 Ų10955.8 Ų55.851%0.50531%0.312SS..Hα-helixtrans-63.4-46.9173.8-179.3-86.5000112S229 M233 T234 Q235S229-H231 PolarHBondContact O-N 3.08Å; H231-M233 VanDerWaalsContact C-N 3.31Å; H231-M233 PolarHBondContact O-N 2.94Å; H231-T234 PolarHBondContact O-N 2.94Å; H231-Q235 PolarHBondContact CE1-NE2 3.21Å; H231-Q235 PolarHBondContact CE1-OE1 3.44Å; H231-Q235 PolarHBondContact ND1-OE1 2.98Å; H231-Q235 WeakPolarHBondContact O-CG 3.35Å; H231-Q235 PolarHBondContact O-N 3.14Å
232Q95.8Very high96.8Very high65 Ų6558.6 Ų58.630%0.30430%0.301SS..Hα-helixtrans-59.3-41.9174.7-76.5170.1-15.600111.6S229 Q235 L236S229-Q232 VanDerWaalsContact N-OE1 3.1Å; S229-Q232 PolarHBondContact O-N 2.94Å; S229-Q232 VanDerWaalsContact O-N 3.14Å; S229-Q232 WeakPolarHBondContact OG-CG 3.21Å; S229-Q232 PolarHBondContact OG-N 3.45Å; S229-Q232 VanDerWaalsContact OG-N 3.13Å; Q232-Q235 PolarHBondContact O-N 3.17Å; Q232-L236 WeakPolarHBondContact O-CB 3.5Å; Q232-L236 PolarHBondContact O-N 2.98Å
233M96.7Very high96.9Very high30 Ų3059.4 Ų59.415%0.14830%0.299CS..Hα-helixtrans-70.1-35.8179.3-63.9-52-63.900113.1V127 N228 S229 H230 H231 L236 T237V127-M233 HydrophobicContact CG1-CB 3.93Å; V127-M233 HydrophobicContact CG1-CE 4.37Å; V127-M233 HydrophobicContact CG1-CG 3.84Å; V127-M233 HydrophobicContact CG2-CB 3.87Å; V127-M233 HydrophobicContact CG2-CG 4.23Å; N228-M233 WeakPolarHBondContact OD1-CG 3.42Å; N228-M233 PolarHBondContact OD1-SD 2.82Å; S229-M233 WeakPolarHBondContact O-CG 3.49Å; S229-M233 PolarHBondContact O-N 3.37Å; H230-M233 PolarHBondContact O-N 3.22Å; H231-M233 VanDerWaalsContact C-N 3.31Å; H231-M233 PolarHBondContact O-N 2.94Å; M233-L236 HydrophobicContact CE-CD2 3.76Å; M233-L236 PolarHBondContact O-N 3.31Å; M233-L236 HydrophobicContact SD-CD2 4.19Å; M233-T237 WeakPolarHBondContact O-CB 3.24Å; M233-T237 PolarHBondContact O-N 3.47Å; M233-T237 PolarHBondContact O-OG1 2.85Å
234T97.4Very high96.9Very high33 Ų3357.5 Ų57.520%0.20228%0.284CS..Hα-helixtrans-61.3-47.9170.4-66.60000110.6W136 H230 H231 L236 T237 E238W136-T234 HydrophobicContact CH2-CG2 3.79Å; W136-T234 HydrophobicContact CZ2-CG2 3.89Å; H230-T234 WeakPolarHBondContact O-CB 3.31Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 3.07Å; H230-T234 VanDerWaalsContact O-OG1 3.07Å; H231-T234 PolarHBondContact O-N 2.94Å; T234-L236 PolarHBondContact O-N 2.83Å; T234-T237 WeakPolarHBondContact O-CB 3.46Å; T234-T237 PolarHBondContact O-N 3.25Å; T234-E238 WeakPolarHBondContact O-CG 3.43Å; T234-E238 PolarHBondContact O-N 3.45Å
235Q97.9Very high96.9Very high78 Ų7856.7 Ų56.736%0.36429%0.287SS..Hα-helixtrans-61.2-43.2176.7-71.9-178.7-41.200112H231 Q232 T237 E238 Q239 F253H231-Q235 PolarHBondContact CE1-NE2 3.21Å; H231-Q235 PolarHBondContact CE1-OE1 3.44Å; H231-Q235 PolarHBondContact ND1-OE1 2.98Å; H231-Q235 WeakPolarHBondContact O-CG 3.35Å; H231-Q235 PolarHBondContact O-N 3.14Å; Q232-Q235 PolarHBondContact O-N 3.17Å; Q235-T237 VanDerWaalsContact C-N 3.34Å; Q235-T237 PolarHBondContact O-N 2.96Å; Q235-E238 PolarHBondContact O-N 3.43Å; Q235-Q239 WeakPolarHBondContact O-CB 3.32Å; Q235-Q239 VanDerWaalsContact O-CG 3.3Å; Q235-Q239 WeakPolarHBondContact O-CG 3.43Å; Q235-Q239 PolarHBondContact O-N 2.98Å; Q235-F253 HydrophobicContact CB-CE1 4.09Å; Q235-F253 HydrophobicContact CB-CZ 4.2Å
236L97.9Very high96.9Very high5 Ų557.3 Ų57.33%0.02629%0.289CS..Hα-helixtrans-57.1-48.9175.5177.666.8000111Q232 M233 T234 E238 Q239 L240 I249 F253 L256Q232-L236 WeakPolarHBondContact O-CB 3.5Å; Q232-L236 PolarHBondContact O-N 2.98Å; M233-L236 HydrophobicContact CE-CD2 3.76Å; M233-L236 PolarHBondContact O-N 3.31Å; M233-L236 HydrophobicContact SD-CD2 4.19Å; T234-L236 PolarHBondContact O-N 2.83Å; L236-E238 PolarHBondContact O-N 2.89Å; L236-Q239 PolarHBondContact O-N 2.99Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CG-CD1 3.93Å; L236-L240 HydrophobicContact CG-CG 4.39Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 3.39Å; L236-I249 HydrophobicContact CD1-CD1 3.92Å; L236-F253 HydrophobicContact CB-CD1 4.35Å; L236-F253 HydrophobicContact CB-CE1 3.89Å; L236-F253 HydrophobicContact CB-CE2 4.46Å; L236-F253 HydrophobicContact CB-CZ 3.97Å; L236-F253 HydrophobicContact CD1-CD1 4.46Å; L236-F253 HydrophobicContact CD1-CD2 3.79Å; L236-F253 HydrophobicContact CD1-CE1 4.49Å; L236-F253 HydrophobicContact CD1-CE2 3.85Å; L236-F253 HydrophobicContact CD1-CG 4.13Å; L236-F253 HydrophobicContact CD1-CZ 4.22Å; L236-L256 HydrophobicContact CD1-CD2 3.94Å; L236-L256 HydrophobicContact CD2-CD1 3.62Å; L236-L256 HydrophobicContact CD2-CD2 4.26Å
237T98.4Very high97Very high12 Ų1258 Ų587%0.07429%0.285CS..Hα-helixtrans-57.2-49177.9-57.10000110.9W136 K139 I140 M233 T234 Q235 Q239 L240 I241W136-T237 HydrophobicContact CH2-CG2 3.98Å; W136-T237 HydrophobicContact CZ2-CG2 3.99Å; K139-T237 HydrophobicContact CB-CG2 4.49Å; K139-T237 WeakPolarHBondContact O-CG2 3.3Å; I140-T237 HydrophobicContact CG1-CG2 4.41Å; M233-T237 WeakPolarHBondContact O-CB 3.24Å; M233-T237 PolarHBondContact O-N 3.47Å; M233-T237 PolarHBondContact O-OG1 2.85Å; T234-T237 WeakPolarHBondContact O-CB 3.46Å; T234-T237 PolarHBondContact O-N 3.25Å; Q235-T237 VanDerWaalsContact C-N 3.34Å; Q235-T237 PolarHBondContact O-N 2.96Å; T237-Q239 PolarHBondContact O-N 3.47Å; T237-L240 PolarHBondContact O-N 2.85Å; T237-I241 HydrophobicContact CG2-CD1 3.98Å; T237-I241 WeakPolarHBondContact O-CD1 3.44Å; T237-I241 VanDerWaalsContact O-CG1 3.24Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.28Å
238E98.5Very high97.1Very high93 Ų9359.1 Ų59.144%0.43530%0.296SS..Hα-helixtrans-62.6-41.7179.1-70.2175.4164.200112.6W136 T234 Q235 L236 I241 K242W136-E238 HydrophobicContact CH2-CG 4.19Å; T234-E238 WeakPolarHBondContact O-CG 3.43Å; T234-E238 PolarHBondContact O-N 3.45Å; Q235-E238 PolarHBondContact O-N 3.43Å; L236-E238 PolarHBondContact O-N 2.89Å; E238-I241 PolarHBondContact O-N 2.96Å; E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 PolarHBondContact O-N 3.33Å
239Q98.7Very high97.3Very high41 Ų4158.1 Ų58.119%0.19229%0.291CS..Hα-helixtrans-70-39.3178.2-64.8-33.4-66.600111.9Q235 L236 T237 I241 K242 Y243 I249 M252 F253Q235-Q239 WeakPolarHBondContact O-CB 3.32Å; Q235-Q239 VanDerWaalsContact O-CG 3.3Å; Q235-Q239 WeakPolarHBondContact O-CG 3.43Å; Q235-Q239 PolarHBondContact O-N 2.98Å; L236-Q239 PolarHBondContact O-N 2.99Å; T237-Q239 PolarHBondContact O-N 3.47Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 3.02Å; Q239-K242 PolarHBondContact O-N 3.02Å; Q239-Y243 HydrophobicContact CB-CD2 4.37Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.5Å; Q239-Y243 PolarHBondContact O-N 2.88Å; Q239-Y243 VanDerWaalsContact OE1-CE2 3.23Å; Q239-I249 HydrophobicContact CB-CB 4.27Å; Q239-I249 HydrophobicContact CB-CD1 3.71Å; Q239-I249 HydrophobicContact CB-CG2 4.03Å; Q239-M252 HydrophobicContact CG-SD 4.13Å; Q239-F253 HydrophobicContact CB-CE2 4.15Å; Q239-F253 HydrophobicContact CB-CZ 4.36Å; Q239-F253 HydrophobicContact CG-CE2 4.11Å; Q239-F253 HydrophobicContact CG-CZ 4.02Å
240L98.7Very high97.4Very high3 Ų358.8 Ų58.82%0.01629%0.29CS..Hα-helixtrans-59.4-45.3173.3-75.3170.1000110.7V146 L147 L236 T237 K242 K244 L246 I249V146-L240 HydrophobicContact CB-CB 4.39Å; V146-L240 HydrophobicContact CB-CD2 4.29Å; V146-L240 HydrophobicContact CG1-CD2 3.9Å; L147-L240 HydrophobicContact CD1-CD1 3.93Å; L147-L240 HydrophobicContact CD2-CD1 4.04Å; L147-L240 HydrophobicContact CD2-CD2 3.82Å; L147-L240 HydrophobicContact CG-CD1 3.9Å; L147-L240 HydrophobicContact CG-CD2 4.4Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CG-CD1 3.93Å; L236-L240 HydrophobicContact CG-CG 4.39Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 3.39Å; T237-L240 PolarHBondContact O-N 2.85Å; L240-K242 PolarHBondContact O-N 3.34Å; L240-K244 VanDerWaalsContact O-CA 3.24Å; L240-K244 WeakPolarHBondContact O-CA 3.47Å; L240-K244 PolarHBondContact O-N 3.13Å; L240-L246 HydrophobicContact CD2-CB 4.26Å; L240-L246 HydrophobicContact CD2-CD1 4.32Å; L240-I249 HydrophobicContact CB-CD1 4.4Å; L240-I249 HydrophobicContact CD2-CD1 3.6Å; L240-I249 HydrophobicContact CD2-CG1 4.47Å; L240-I249 HydrophobicContact CG-CD1 3.67Å
241I98.4Very high97.5Very high27 Ų2761.7 Ų61.714%0.13830%0.303CS..Hα-helixtrans-61.7-44.9176.6-69.8166.9000111.3K139 E142 T237 E238 Q239 K244K139-I241 HydrophobicContact CB-CD1 4.08Å; K139-I241 HydrophobicContact CD-CD1 3.54Å; K139-I241 HydrophobicContact CG-CD1 4.46Å; K139-I241 WeakPolarHBondContact O-CD1 3.48Å; E142-I241 HydrophobicContact CB-CD1 4.24Å; E142-I241 HydrophobicContact CB-CG1 4.07Å; E142-I241 HydrophobicContact CG-CG1 3.97Å; E142-I241 WeakPolarHBondContact OE1-CG2 3.29Å; T237-I241 HydrophobicContact CG2-CD1 3.98Å; T237-I241 WeakPolarHBondContact O-CD1 3.44Å; T237-I241 VanDerWaalsContact O-CG1 3.24Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.28Å; E238-I241 PolarHBondContact O-N 2.96Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 3.02Å; I241-K244 VanDerWaalsContact O-CD 3.23Å; I241-K244 WeakPolarHBondContact O-CD 3.39Å; I241-K244 WeakPolarHBondContact O-CE 2.99Å; I241-K244 PolarHBondContact O-NZ 3.4Å; I241-K244 VanDerWaalsContact O-NZ 3.17Å
242K98.6Very high97.6Very high138 Ų13860 Ų6060%0.630%0.296SS*.Hα-helixtrans-68.3-47-175.7179.7179.8173.9-1720112.5E238 Q239 L240E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 PolarHBondContact O-N 3.33Å; Q239-K242 PolarHBondContact O-N 3.02Å; L240-K242 PolarHBondContact O-N 3.34Å
243Y98.4Very high97.5Very high100 Ų10058 Ų5839%0.39229%0.287SS..Hα-helixtrans-97.7-13.7-172.2-67.5-77.9000113.9Q239 S245 I249 M252Q239-Y243 HydrophobicContact CB-CD2 4.37Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.5Å; Q239-Y243 PolarHBondContact O-N 2.88Å; Q239-Y243 VanDerWaalsContact OE1-CE2 3.23Å; Y243-S245 PolarHBondContact O-N 3.14Å; Y243-S245 VanDerWaalsContact O-N 3.08Å; Y243-I249 HydrophobicContact CD2-CG2 3.31Å; Y243-I249 HydrophobicContact CE2-CG2 4.09Å; Y243-I249 HydrophobicContact CG-CG2 3.7Å; Y243-M252 HydrophobicContact CE2-CE 4.04Å
244K98.2Very high97.2Very high111 Ų11161.6 Ų61.648%0.48331%0.312SS..SBendtrans52.828.5-179.8-56-60-172.8-166.70113.6E142 V146 L240 I241E142-K244 IonicContact OE1-NZ 2.91Å; E142-K244 PolarHBondContact OE1-NZ 3.45Å; V146-K244 VanDerWaalsContact CG1-C 3.4Å; V146-K244 HydrophobicContact CG2-CD 4Å; L240-K244 VanDerWaalsContact O-CA 3.24Å; L240-K244 WeakPolarHBondContact O-CA 3.47Å; L240-K244 PolarHBondContact O-N 3.13Å; I241-K244 VanDerWaalsContact O-CD 3.23Å; I241-K244 WeakPolarHBondContact O-CD 3.39Å; I241-K244 WeakPolarHBondContact O-CE 2.99Å; I241-K244 PolarHBondContact O-NZ 3.4Å; I241-K244 VanDerWaalsContact O-NZ 3.17Å
245S97.8Very high96.8Very high41 Ų4164.4 Ų64.429%0.28733%0.326SS..  trans-156.7129.4-179.5169.50000109.9Y243 D247 A248Y243-S245 PolarHBondContact O-N 3.14Å; Y243-S245 VanDerWaalsContact O-N 3.08Å; S245-D247 PolarHBondContact OG-N 2.84Å; S245-A248 PolarHBondContact OG-N 3.08Å; S245-A248 VanDerWaalsContact OG-N 3.14Å
246L97Very high96.4Very high32 Ų3261.3 Ų61.317%0.16831%0.312CS..SBendtrans-68-44.5171177.860.6000110.9F43 L147 L240 A248 I249 I250 L256 I257F43-L246 HydrophobicContact CD1-CD2 3.91Å; F43-L246 HydrophobicContact CE1-CD2 3.86Å; L147-L246 HydrophobicContact CD2-CB 4.12Å; L147-L246 HydrophobicContact CD2-CD1 4.31Å; L147-L246 HydrophobicContact CD2-CD2 3.95Å; L147-L246 HydrophobicContact CD2-CG 4.36Å; L240-L246 HydrophobicContact CD2-CB 4.26Å; L240-L246 HydrophobicContact CD2-CD1 4.32Å; L246-A248 PolarHBondContact O-N 3.27Å; L246-I249 HydrophobicContact CD1-CG1 4.36Å; L246-I249 CarbonylContact O-C 3.57Å; L246-I249 VanDerWaalsContact O-CG1 3.31Å; L246-I249 WeakPolarHBondContact O-CG1 3.23Å; L246-I249 PolarHBondContact O-N 3.17Å; L246-I250 WeakPolarHBondContact O-CB 3.24Å; L246-I250 PolarHBondContact O-N 2.71Å; L246-L256 HydrophobicContact CD1-CD2 3.83Å; L246-I257 HydrophobicContact CD2-CD1 4.26Å
247D96.8Very high95.6Very high131 Ų13165.8 Ų65.870%0.70134%0.335SS*.THydrogen-bonded Turntrans-57.8-36.5-180-62.4-24.5000112.3S245 I249S245-D247 PolarHBondContact OG-N 2.84Å; D247-I249 PolarHBondContact O-N 2.9Å
248A97.7Very high95.5Very high45 Ų4568.5 Ų68.537%0.37235%0.348SS..THydrogen-bonded Turntrans-66.2-21.6177.600000113.5S245 L246 H251S245-A248 PolarHBondContact OG-N 3.08Å; S245-A248 VanDerWaalsContact OG-N 3.14Å; L246-A248 PolarHBondContact O-N 3.27Å; A248-H251 PolarHBondContact O-CE1 3.25Å; A248-H251 PolarHBondContact O-ND1 3.48Å
249I97.3Very high95.4Very high0 Ų067.2 Ų67.20%034%0.343CS..THydrogen-bonded Turntrans-121.8-9.4-172.270.5168.6000113.6L236 Q239 L240 Y243 L246 D247 H251 M252 F253L236-I249 HydrophobicContact CD1-CD1 3.92Å; Q239-I249 HydrophobicContact CB-CB 4.27Å; Q239-I249 HydrophobicContact CB-CD1 3.71Å; Q239-I249 HydrophobicContact CB-CG2 4.03Å; L240-I249 HydrophobicContact CB-CD1 4.4Å; L240-I249 HydrophobicContact CD2-CD1 3.6Å; L240-I249 HydrophobicContact CD2-CG1 4.47Å; L240-I249 HydrophobicContact CG-CD1 3.67Å; Y243-I249 HydrophobicContact CD2-CG2 3.31Å; Y243-I249 HydrophobicContact CE2-CG2 4.09Å; Y243-I249 HydrophobicContact CG-CG2 3.7Å; L246-I249 HydrophobicContact CD1-CG1 4.36Å; L246-I249 CarbonylContact O-C 3.57Å; L246-I249 VanDerWaalsContact O-CG1 3.31Å; L246-I249 WeakPolarHBondContact O-CG1 3.23Å; L246-I249 PolarHBondContact O-N 3.17Å; D247-I249 PolarHBondContact O-N 2.9Å; I249-H251 PolarHBondContact O-N 3.17Å; I249-H251 VanDerWaalsContact O-N 3.14Å; I249-M252 HydrophobicContact CB-SD 4.24Å; I249-M252 HydrophobicContact CG2-CE 4.4Å; I249-M252 HydrophobicContact CG2-SD 4.48Å; I249-M252 WeakPolarHBondContact O-CA 3.47Å; I249-M252 WeakPolarHBondContact O-CB 3.39Å; I249-M252 WeakPolarHBondContact O-CG 3.2Å; I249-M252 PolarHBondContact O-N 3.48Å; I249-F253 HydrophobicContact CB-CE2 4.44Å; I249-F253 HydrophobicContact CD1-CD2 4.47Å; I249-F253 HydrophobicContact CD1-CE2 4.06Å; I249-F253 HydrophobicContact CG1-CE2 4.43Å; I249-F253 WeakPolarHBondContact O-CD2 3.39Å
250I95.9Very high95.2Very high66 Ų6668.6 Ų68.634%0.33835%0.352SS..G310 helixtrans-58.5-33.6-171.7-166.2167.6000112.6L246 M252 F253 I257L246-I250 WeakPolarHBondContact O-CB 3.24Å; L246-I250 PolarHBondContact O-N 2.71Å; I250-M252 PolarHBondContact O-N 3.46Å; I250-M252 VanDerWaalsContact O-N 3.17Å; I250-F253 CarbonylContact O-C 3.29Å; I250-F253 VanDerWaalsContact O-C 3.29Å; I250-F253 PolarHBondContact O-N 2.83Å; I250-I257 HydrophobicContact CD1-CD1 4.01Å
251H96.1Very high95Very high135 Ų13572.5 Ų72.563%0.62537%0.372SS*.G310 helixtrans-62.6-20174.769.8-85.6000113.9A248 I249 F253A248-H251 PolarHBondContact O-CE1 3.25Å; A248-H251 PolarHBondContact O-ND1 3.48Å; I249-H251 PolarHBondContact O-N 3.17Å; I249-H251 VanDerWaalsContact O-N 3.14Å; H251-F253 VanDerWaalsContact C-N 3.3Å
252M96.7Very high94.7Very high73 Ų7375.3 Ų75.336%0.3639%0.386SS..G310 helixtrans-80.1-14.8174.4-50.8-179.9-170.100112.1Q239 Y243 I249 I250Q239-M252 HydrophobicContact CG-SD 4.13Å; Y243-M252 HydrophobicContact CE2-CE 4.04Å; I249-M252 HydrophobicContact CB-SD 4.24Å; I249-M252 HydrophobicContact CG2-CE 4.4Å; I249-M252 HydrophobicContact CG2-SD 4.48Å; I249-M252 WeakPolarHBondContact O-CA 3.47Å; I249-M252 WeakPolarHBondContact O-CB 3.39Å; I249-M252 WeakPolarHBondContact O-CG 3.2Å; I249-M252 PolarHBondContact O-N 3.48Å; I250-M252 PolarHBondContact O-N 3.46Å; I250-M252 VanDerWaalsContact O-N 3.17Å
253F95.4Very high94.5Very high25 Ų2571.1 Ų71.111%0.1137%0.372CS..  trans-131.464.9-176.3-54.4-84.7000110.8Q235 L236 Q239 I249 I250 H251 D255 L256Q235-F253 HydrophobicContact CB-CE1 4.09Å; Q235-F253 HydrophobicContact CB-CZ 4.2Å; L236-F253 HydrophobicContact CB-CD1 4.35Å; L236-F253 HydrophobicContact CB-CE1 3.89Å; L236-F253 HydrophobicContact CB-CE2 4.46Å; L236-F253 HydrophobicContact CB-CZ 3.97Å; L236-F253 HydrophobicContact CD1-CD1 4.46Å; L236-F253 HydrophobicContact CD1-CD2 3.79Å; L236-F253 HydrophobicContact CD1-CE1 4.49Å; L236-F253 HydrophobicContact CD1-CE2 3.85Å; L236-F253 HydrophobicContact CD1-CG 4.13Å; L236-F253 HydrophobicContact CD1-CZ 4.22Å; Q239-F253 HydrophobicContact CB-CE2 4.15Å; Q239-F253 HydrophobicContact CB-CZ 4.36Å; Q239-F253 HydrophobicContact CG-CE2 4.11Å; Q239-F253 HydrophobicContact CG-CZ 4.02Å; I249-F253 HydrophobicContact CB-CE2 4.44Å; I249-F253 HydrophobicContact CD1-CD2 4.47Å; I249-F253 HydrophobicContact CD1-CE2 4.06Å; I249-F253 HydrophobicContact CG1-CE2 4.43Å; I249-F253 WeakPolarHBondContact O-CD2 3.39Å; I250-F253 CarbonylContact O-C 3.29Å; I250-F253 VanDerWaalsContact O-C 3.29Å; I250-F253 PolarHBondContact O-N 2.83Å; H251-F253 VanDerWaalsContact C-N 3.3Å; F253-D255 PolarHBondContact O-N 2.9Å; F253-D255 VanDerWaalsContact O-N 3.08Å; F253-L256 HydrophobicContact CB-CB 3.89Å; F253-L256 HydrophobicContact CB-CD2 4.41Å; F253-L256 VanDerWaalsContact O-CB 3.24Å; F253-L256 WeakPolarHBondContact O-CB 3.44Å; F253-L256 PolarHBondContact O-N 2.95Å
254P90.1Very high94.2Very high104 Ų10469.1 Ų69.168%0.67537%0.37SS*.THydrogen-bonded Turntrans-60.1-23.2-173.524.7-35.2000114.3
255D88.4Confident93.9Very high93 Ų9365.8 Ų65.850%0.49736%0.362SS..THydrogen-bonded Turntrans-97.79.7-179.8-52-54.2000114V227 F253V227-D255 HydrophobicContact CB-CB 4.44Å; V227-D255 HydrophobicContact CG1-CB 3.63Å; F253-D255 PolarHBondContact O-N 2.9Å; F253-D255 VanDerWaalsContact O-N 3.08Å
256L90.4Very high93.6Very high12 Ų1267.9 Ų67.96%0.06337%0.368CS..  trans-68.3-55.3-174.8-17667.3000112K21 F39 F43 L236 L246 F253K21-L256 WeakPolarHBondContact CE-O 3.48Å; K21-L256 PolarHBondContact NZ-O 3.45Å; F39-L256 WeakPolarHBondContact CD1-O 3.2Å; F39-L256 HydrophobicContact CE1-CD1 3.9Å; F39-L256 WeakPolarHBondContact CE1-O 3.33Å; F39-L256 HydrophobicContact CZ-CD1 4.4Å; F43-L256 HydrophobicContact CE1-CD2 4.13Å; F43-L256 HydrophobicContact CE2-CD1 4.33Å; F43-L256 HydrophobicContact CE2-CG 4.22Å; F43-L256 HydrophobicContact CZ-CD1 4.01Å; F43-L256 HydrophobicContact CZ-CD2 3.87Å; F43-L256 HydrophobicContact CZ-CG 3.87Å; L236-L256 HydrophobicContact CD1-CD2 3.94Å; L236-L256 HydrophobicContact CD2-CD1 3.62Å; L236-L256 HydrophobicContact CD2-CD2 4.26Å; L246-L256 HydrophobicContact CD1-CD2 3.83Å; F253-L256 HydrophobicContact CB-CB 3.89Å; F253-L256 HydrophobicContact CB-CD2 4.41Å; F253-L256 VanDerWaalsContact O-CB 3.24Å; F253-L256 WeakPolarHBondContact O-CB 3.44Å; F253-L256 PolarHBondContact O-N 2.95Å
257I81.3Confident93.3Very high99 Ų9971.2 Ų71.251%0.50839%0.386SS..  trans-102.10-174.9-59.1-177.9000108.7K21 F43 L246 I250K21-I257 PolarHBondContact NZ-OXT 3.15Å; F43-I257 HydrophobicContact CB-CD1 4.09Å; F43-I257 HydrophobicContact CB-CG1 4.36Å; F43-I257 HydrophobicContact CD1-CD1 3.77Å; F43-I257 HydrophobicContact CD1-CG1 4.14Å; F43-I257 HydrophobicContact CD2-CG1 4.09Å; F43-I257 HydrophobicContact CE1-CD1 4.35Å; F43-I257 HydrophobicContact CE1-CG1 4.49Å; F43-I257 HydrophobicContact CE2-CG1 4.46Å; F43-I257 HydrophobicContact CG-CD1 3.88Å; F43-I257 HydrophobicContact CG-CG1 3.93Å; L246-I257 HydrophobicContact CD2-CD1 4.26Å; I250-I257 HydrophobicContact CD1-CD1 4.01Å

Retrieved 257 of 257 residues in 102.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).