A0A3B3TSR0_9TELE Loading...

ADRM1 26S proteasome ubiquitin receptor

AlphaFold DB , UniProt , Accession A0A3B3TSR0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 414 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low50.8Low242 Ų242136.2 Ų136.2100%1.19282%0.824SS**  0107.10-71167.3171.900106.8
2S45.7Very low50.3Low125 Ų125134.3 Ų134.387%0.87482%0.822SS**  trans-110.3107.5-173-55.10000109.5G4S2-G4 VanDerWaalsContact C-N 3.3Å; S2-G4 PolarHBondContact O-N 3.24Å
3S51.4Low49.8Very low128 Ų128128.5 Ų128.590%0.89581%0.805SS**  trans-73.681.6178.9-59.40000110.9A5S3-A5 PolarHBondContact O-N 2.61Å
4G50.1Low49.2Very low62 Ų62126.3 Ų126.364%0.63980%0.796SS**  trans-68.5111.2168.600000110S2 L6S2-G4 VanDerWaalsContact C-N 3.3Å; S2-G4 PolarHBondContact O-N 3.24Å; G4-L6 PolarHBondContact O-N 3.38Å
5A57.5Low49.1Very low77 Ų77134.5 Ų134.564%0.63681%0.806SS**  trans-68.3103.4174.700000109.7S3 F7S3-A5 PolarHBondContact O-N 2.61Å; A5-F7 HydrophobicContact CB-CD2 4.1Å; A5-F7 HydrophobicContact CB-CE2 3.74Å; A5-F7 WeakPolarHBondContact O-CD2 3.42Å; A5-F7 PolarHBondContact O-N 3.17Å
6L55.6Low48.5Very low173 Ų173128.9 Ų128.991%0.90678%0.784SS**  trans-73.874.9177.2-67.1175.6000110.7G4G4-L6 PolarHBondContact O-N 3.38Å
7F63.3Low48.4Very low179 Ų179128.9 Ų128.979%0.78579%0.791SS**  trans-62.8132160.5-67.3-81.7000108.5A5 S9A5-F7 HydrophobicContact CB-CD2 4.1Å; A5-F7 HydrophobicContact CB-CE2 3.74Å; A5-F7 WeakPolarHBondContact O-CD2 3.42Å; A5-F7 PolarHBondContact O-N 3.17Å; F7-S9 PolarHBondContact O-N 2.66Å
8P49.3Very low48.2Very low103 Ų103127 Ų12767%0.66978%0.784SS**  trans-61.2130.6172.626.3-33000108.5L10P8-L10 PolarHBondContact O-N 2.86Å
9S44.5Very low48.5Very low125 Ų125125.5 Ų125.587%0.87478%0.779SS**  trans-69.385.1173.5-170.20000108.9F7 V11F7-S9 PolarHBondContact O-N 2.66Å; S9-V11 VanDerWaalsContact C-N 3.33Å; S9-V11 PolarHBondContact O-N 3.45Å
10L45Very low50Low151 Ų151126.3 Ų126.379%0.79177%0.771SS**  trans-64.898.8168.7-68.2176.7000106.8P8 S12P8-L10 PolarHBondContact O-N 2.86Å; L10-S12 PolarHBondContact O-N 3.11Å
11V50.9Low51.8Low133 Ų133121.4 Ų121.481%0.80674%0.738SS**  trans-46.7119.716854.70000107.7S9 G13S9-V11 VanDerWaalsContact C-N 3.33Å; S9-V11 PolarHBondContact O-N 3.45Å; V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 3.43Å
12S44.4Very low53.8Low114 Ų114112.5 Ų112.580%0.79770%0.695SS**  trans-66.994.2-176.3-171.80000108.1L10 S14L10-S12 PolarHBondContact O-N 3.11Å; S12-S14 PolarHBondContact O-N 2.88Å
13G44.9Very low55.9Low58 Ų58106.9 Ų106.960%0.59866%0.656SS**  trans-63.299.9-175.900000108.8V11 R15V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 3.43Å; G13-R15 VanDerWaalsContact C-N 3.34Å; G13-R15 PolarHBondContact O-N 3.03Å
14S41.4Very low57.8Low98 Ų98105.9 Ų105.969%0.68564%0.637SS**  trans-62.995.4-173.4-173.30000110.3S12 G16S12-S14 PolarHBondContact O-N 2.88Å; S14-G16 PolarHBondContact O-N 3.14Å; S14-G16 PolarHBondContact OG-N 2.75Å
15R47.4Very low59.9Low250 Ų250103 Ų10394%0.94361%0.607SS**  trans-84.224.5163.1-64.9178.7178.7168.3-0.4110.8G13G13-R15 VanDerWaalsContact C-N 3.34Å; G13-R15 PolarHBondContact O-N 3.03Å
16G38.7Very low61.5Low44 Ų44104 Ų10445%0.45459%0.594SS.*SBendtrans-61.9150.5164.100000109.9S14 S18S14-G16 PolarHBondContact O-N 3.14Å; S14-G16 PolarHBondContact OG-N 2.75Å; G16-S18 PolarHBondContact O-N 3.43Å
17S47.9Very low63.4Low129 Ų12995.8 Ų95.890%0.90255%0.551SS**SBendtrans-77.141.5-176.2-170.70000113.5S19S17-S19 PolarHBondContact O-N 2.81Å; S17-S19 VanDerWaalsContact O-N 3.16Å
18S44.3Very low64.8Low95 Ų9587.2 Ų87.266%0.66451%0.514SS*.  trans-76.892.3165.754.30000108.7G16 K20G16-S18 PolarHBondContact O-N 3.43Å; S18-K20 PolarHBondContact O-N 2.95Å
19S54.4Low66.8Low99 Ų9984.1 Ų84.169%0.69249%0.49SS*.  trans-62.1100.2170.949.20000109.1S17 Y21S17-S19 PolarHBondContact O-N 2.81Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S19-Y21 PolarHBondContact O-N 2.76Å
20K77.5Confident68.9Low141 Ų14179.7 Ų79.761%0.61346%0.455SS*.SBendtrans-58.1-7.6179.356.7160.4172.5165.90115.1S18S18-K20 PolarHBondContact O-N 2.95Å
21Y87.5Confident70.8Confident23 Ų2375.5 Ų75.59%0.0944%0.439CS..SBendtrans-123134.1176.7-51.3-42.3000108S19 V23 E24 Y47 I48 Q49 K61S19-Y21 PolarHBondContact O-N 2.76Å; Y21-V23 VanDerWaalsContact C-N 3.27Å; Y21-E24 HydrophobicContact CD2-CB 4.09Å; Y21-E24 HydrophobicContact CD2-CG 4.4Å; Y21-E24 VanDerWaalsContact CD2-OE2 3.27Å; Y21-E24 WeakPolarHBondContact CD2-OE2 3.29Å; Y21-Y47 AromaticContact CD1-CD2 3.23Å; Y21-Y47 HydrophobicContact CD1-CD2 3.23Å; Y21-Y47 AromaticContact CD1-CE2 3.76Å; Y21-Y47 HydrophobicContact CD1-CE2 3.76Å; Y21-Y47 HydrophobicContact CD1-CG 4.03Å; Y21-Y47 HydrophobicContact CD2-CD2 4.14Å; Y21-Y47 HydrophobicContact CD2-CG 4.12Å; Y21-Y47 AromaticContact CE1-CD2 3.11Å; Y21-Y47 HydrophobicContact CE1-CD2 3.11Å; Y21-Y47 AromaticContact CE1-CE2 3.18Å; Y21-Y47 HydrophobicContact CE1-CE2 3.18Å; Y21-Y47 AromaticContact CE1-CG 3.93Å; Y21-Y47 HydrophobicContact CE1-CG 3.93Å; Y21-Y47 HydrophobicContact CE2-CD2 4.06Å; Y21-Y47 HydrophobicContact CE2-CG 4.03Å; Y21-Y47 AromaticContact CG-CD2 3.74Å; Y21-Y47 HydrophobicContact CG-CD2 3.74Å; Y21-Y47 HydrophobicContact CG-CG 4.09Å; Y21-Y47 AromaticContact CZ-CD2 3.52Å; Y21-Y47 AromaticContact CZ-CE2 3.6Å; Y21-Y47 AromaticContact CZ-CG 3.88Å; Y21-I48 CarbonylContact C-O 3.58Å; Y21-I48 VanDerWaalsContact CA-O 3.23Å; Y21-I48 WeakPolarHBondContact CA-O 3.25Å; Y21-I48 WeakPolarHBondContact CB-O 3.33Å; Y21-Q49 HydrophobicContact CD1-CB 4.09Å; Y21-Q49 HydrophobicContact CD1-CG 4.47Å; Y21-Q49 VanDerWaalsContact CE1-OE1 3.31Å; Y21-K61 VanDerWaalsContact CE2-NZ 3.31Å; Y21-K61 PolarHBondContact OH-NZ 3.48Å
22L87.4Confident72.3Confident55 Ų5574.3 Ų74.329%0.28843%0.427SS..SBendtrans-64.8-36.2174.9-59173.7000110.7I48 Q50 I56 F126 P131L22-I48 HydrophobicContact CB-CG2 4.45Å; L22-I48 HydrophobicContact CD1-CG2 4.2Å; L22-I48 PolarHBondContact N-O 3.24Å; L22-Q50 HydrophobicContact CD1-CB 4.34Å; L22-I56 HydrophobicContact CD1-CD1 3.9Å; L22-F126 HydrophobicContact CB-CD1 4.01Å; L22-F126 HydrophobicContact CB-CD2 4.04Å; L22-F126 HydrophobicContact CB-CE1 4.04Å; L22-F126 HydrophobicContact CB-CE2 4.07Å; L22-F126 HydrophobicContact CB-CG 4.01Å; L22-F126 HydrophobicContact CB-CZ 4.07Å; L22-F126 HydrophobicContact CD1-CB 4.36Å; L22-F126 HydrophobicContact CD1-CD1 3.77Å; L22-F126 HydrophobicContact CD1-CE1 4.3Å; L22-F126 HydrophobicContact CD1-CG 4.15Å; L22-F126 HydrophobicContact CD2-CD1 4.42Å; L22-F126 HydrophobicContact CD2-CE1 4.11Å; L22-F126 HydrophobicContact CG-CD1 4.28Å; L22-F126 HydrophobicContact CG-CE1 4.37Å; L22-P131 HydrophobicContact CD1-CG 4.13Å; L22-P131 HydrophobicContact CD2-CG 4.09Å
23V91Very high74Confident8 Ų875.3 Ų75.35%0.04842%0.418CS..EExtended strand (participates in β ladder)trans-141.8140.2172.6-164.90000108.3Y21 F25 Y47 I48 F119 K122 V123 F126Y21-V23 VanDerWaalsContact C-N 3.27Å; V23-F25 HydrophobicContact CG1-CD1 3.97Å; V23-F25 HydrophobicContact CG1-CE1 4.41Å; V23-Y47 CarbonylContact O-C 3.59Å; V23-Y47 WeakPolarHBondContact O-CA 3.41Å; V23-I48 HydrophobicContact CB-CB 4.42Å; V23-I48 HydrophobicContact CB-CD1 4.47Å; V23-I48 HydrophobicContact CB-CG1 4.5Å; V23-I48 HydrophobicContact CG2-CD1 4.29Å; V23-I48 PolarHBondContact O-N 3.11Å; V23-F119 HydrophobicContact CG1-CD1 4.09Å; V23-K122 HydrophobicContact CG2-CB 3.97Å; V23-V123 HydrophobicContact CG1-CG2 4.45Å; V23-F126 HydrophobicContact CG2-CD2 3.33Å; V23-F126 HydrophobicContact CG2-CE2 3.65Å; V23-F126 HydrophobicContact CG2-CG 4.42Å
24E91.4Very high75.7Confident106 Ų10676 Ų7650%0.49543%0.425SS..EExtended strand (participates in β ladder)trans-138.3142159.466.4178.5166.600110.5Y21 L45 V46Y21-E24 HydrophobicContact CD2-CB 4.09Å; Y21-E24 HydrophobicContact CD2-CG 4.4Å; Y21-E24 VanDerWaalsContact CD2-OE2 3.27Å; Y21-E24 WeakPolarHBondContact CD2-OE2 3.29Å; E24-L45 HydrophobicContact CB-CD2 4.11Å; E24-L45 WeakPolarHBondContact OE2-CD2 3.23Å; E24-V46 WeakPolarHBondContact CA-O 3.23Å
25F92.9Very high77.5Confident1 Ų178.7 Ų78.70%0.00443%0.431CS..EExtended strand (participates in β ladder)trans-153.8152.7176.859.9-86.6000111.5V23 A27 L45 V46 F81 M108 F119 V123V23-F25 HydrophobicContact CG1-CD1 3.97Å; V23-F25 HydrophobicContact CG1-CE1 4.41Å; F25-A27 HydrophobicContact CD2-CB 3.81Å; F25-A27 HydrophobicContact CE2-CB 3.64Å; F25-A27 PolarHBondContact O-N 3.36Å; F25-L45 WeakPolarHBondContact O-CD1 3.34Å; F25-V46 HydrophobicContact CD1-CB 4.31Å; F25-V46 HydrophobicContact CD1-CG1 4.37Å; F25-V46 HydrophobicContact CD2-CB 4.24Å; F25-V46 HydrophobicContact CE1-CB 3.84Å; F25-V46 HydrophobicContact CE1-CG1 3.54Å; F25-V46 HydrophobicContact CE2-CB 3.77Å; F25-V46 HydrophobicContact CE2-CG1 4.2Å; F25-V46 HydrophobicContact CE2-CG2 3.99Å; F25-V46 HydrophobicContact CZ-CB 3.56Å; F25-V46 HydrophobicContact CZ-CG1 3.45Å; F25-V46 VanDerWaalsContact CZ-CG1 3.45Å; F25-V46 HydrophobicContact CZ-CG2 4.03Å; F25-V46 PolarHBondContact N-O 3.45Å; F25-V46 PolarHBondContact O-N 3.45Å; F25-F81 HydrophobicContact CZ-CZ 4.24Å; F25-M108 HydrophobicContact CD2-CE 3.85Å; F25-M108 HydrophobicContact CD2-SD 3.41Å; F25-M108 WeakPolarHBondContact CD2-SD 3.48Å; F25-M108 HydrophobicContact CE2-CE 3.54Å; F25-M108 HydrophobicContact CE2-SD 3.51Å; F25-M108 VanDerWaalsContact CE2-SD 3.51Å; F25-M108 HydrophobicContact CZ-CE 4.21Å; F25-F119 HydrophobicContact CB-CD1 3.88Å; F25-F119 HydrophobicContact CB-CD2 4.04Å; F25-F119 HydrophobicContact CB-CE1 3.87Å; F25-F119 HydrophobicContact CB-CE2 4.04Å; F25-F119 HydrophobicContact CB-CG 3.97Å; F25-F119 HydrophobicContact CB-CZ 3.95Å; F25-F119 HydrophobicContact CD1-CB 4.33Å; F25-F119 HydrophobicContact CD1-CD1 4.25Å; F25-F119 HydrophobicContact CD1-CG 4.36Å; F25-F119 HydrophobicContact CG-CB 4.45Å; F25-F119 HydrophobicContact CG-CD1 4.35Å; F25-F119 HydrophobicContact CG-CG 4.24Å; F25-V123 HydrophobicContact CD1-CG2 4.49Å; F25-V123 HydrophobicContact CE1-CG2 3.54Å; F25-V123 HydrophobicContact CZ-CG2 4.12Å
26R93.1Very high78.9Confident99 Ų9971.3 Ų71.337%0.37441%0.414SS..  trans-77.9114.4177.7-61.5163.3-169174.11.2109.6L45 Q109 E110R26-L45 HydrophobicContact CB-CD1 4.49Å; R26-L45 HydrophobicContact CG-CD1 3.75Å; R26-Q109 HydrophobicContact CB-CB 3.89Å; R26-Q109 WeakPolarHBondContact O-CA 3.47Å; R26-Q109 PolarHBondContact O-N 3.1Å; R26-E110 HydrophobicContact CB-CG 4.23Å; R26-E110 VanDerWaalsContact CB-OE1 3.24Å; R26-E110 WeakPolarHBondContact CB-OE1 3.31Å; R26-E110 WeakPolarHBondContact CD-OE1 3.44Å; R26-E110 WeakPolarHBondContact CG-OE1 3.09Å; R26-E110 PolarHBondContact N-OE1 3.05Å; R26-E110 IonicContact NE-OE1 3.75Å; R26-E110 IonicContact NE-OE2 2.74Å; R26-E110 IonicContact NH1-OE2 2.66Å; R26-E110 PolarHBondContact O-N 3.14Å
27A93.7Very high81.1Confident0 Ų071.8 Ų71.80%041%0.408CS..EExtended strand (participates in β ladder)trans-15014217100000110.5F25 G44 V46 W60 W107 M108F25-A27 HydrophobicContact CD2-CB 3.81Å; F25-A27 HydrophobicContact CE2-CB 3.64Å; F25-A27 PolarHBondContact O-N 3.36Å; A27-G44 PolarHBondContact N-O 3.5Å; A27-G44 CarbonylContact O-C 3.47Å; A27-G44 WeakPolarHBondContact O-CA 3.48Å; A27-V46 HydrophobicContact CB-CG2 4Å; A27-W60 PolarHBondContact O-NE1 2.99Å; A27-W107 CarbonylContact C-O 3.52Å; A27-W107 WeakPolarHBondContact CA-O 3.08Å; A27-W107 WeakPolarHBondContact CB-O 3.47Å; A27-M108 HydrophobicContact CB-SD 4.12Å
28G92.6Very high82.9Confident0 Ų068.2 Ų68.20%038%0.381CS..EExtended strand (participates in β ladder)trans-87.1152.1170.400000110.8F106 W107G28-F106 CarbonylContact O-C 3.6Å; G28-F106 VanDerWaalsContact O-CA 3.28Å; G28-F106 WeakPolarHBondContact O-CA 3.41Å; G28-W107 PolarHBondContact N-O 3.29Å; G28-W107 VanDerWaalsContact O-CD1 3.24Å; G28-W107 PolarHBondContact O-N 3.15Å
29K91.3Very high85.1Confident37 Ų3766.8 Ų66.816%0.16137%0.369CS..EExtended strand (participates in β ladder)trans-82.3162.3168.862.6-178.9174.31790111.3D40 W60 D69 D70 F105 F106K29-D40 HydrophobicContact CG-CB 4.26Å; K29-D40 VanDerWaalsContact O-CB 3.28Å; K29-D40 WeakPolarHBondContact O-CB 3.42Å; K29-D40 PolarHBondContact O-N 3.27Å; K29-W60 HydrophobicContact CB-CD2 4.4Å; K29-W60 HydrophobicContact CD-CD2 3.94Å; K29-W60 HydrophobicContact CD-CE3 3.84Å; K29-W60 HydrophobicContact CD-CG 4.5Å; K29-W60 HydrophobicContact CD-CH2 4.38Å; K29-W60 HydrophobicContact CD-CZ2 4.49Å; K29-W60 HydrophobicContact CD-CZ3 4.07Å; K29-W60 HydrophobicContact CG-CD2 4.12Å; K29-W60 HydrophobicContact CG-CE3 4.34Å; K29-W60 HydrophobicContact CG-CH2 4.19Å; K29-W60 HydrophobicContact CG-CZ2 3.97Å; K29-W60 HydrophobicContact CG-CZ3 4.38Å; K29-D69 WeakPolarHBondContact CE-OD1 3.31Å; K29-D69 IonicContact NZ-OD1 3.11Å; K29-D69 PolarHBondContact NZ-OD1 3.4Å; K29-D70 WeakPolarHBondContact CD-OD2 3.39Å; K29-D70 WeakPolarHBondContact CE-OD2 3.36Å; K29-D70 IonicContact NZ-OD2 3.4Å; K29-D70 PolarHBondContact NZ-OD2 2.98Å; K29-F105 CarbonylContact C-O 3.54Å; K29-F106 HydrophobicContact CB-CD1 4.08Å; K29-F106 HydrophobicContact CB-CE1 3.97Å
30M89.9Confident86.7Confident32 Ų3264.1 Ų64.116%0.15835%0.348CS..EExtended strand (participates in β ladder)trans-126.6140168-42.1171.6128.200108.1V37 T38 P39 V92 F105 W107M30-V37 HydrophobicContact CB-CG1 3.65Å; M30-V37 HydrophobicContact CG-CG1 4.4Å; M30-V37 HydrophobicContact SD-CG1 3.93Å; M30-T38 CarbonylContact C-O 3.59Å; M30-T38 WeakPolarHBondContact CA-O 3.49Å; M30-P39 HydrophobicContact CE-CB 3.87Å; M30-P39 HydrophobicContact CG-CB 4.23Å; M30-V92 HydrophobicContact CE-CG1 4.29Å; M30-V92 HydrophobicContact CE-CG2 3.84Å; M30-V92 HydrophobicContact SD-CG1 3.88Å; M30-F105 HydrophobicContact CB-CB 3.94Å; M30-F105 HydrophobicContact CG-CB 4.11Å; M30-F105 PolarHBondContact N-O 3.49Å; M30-F105 HydrophobicContact SD-CB 3.73Å; M30-W107 HydrophobicContact CE-CB 4.07Å; M30-W107 HydrophobicContact CE-CG 4.33Å
31S84.9Confident87.2Confident63 Ų6366.6 Ų66.644%0.44136%0.358SS..EExtended strand (participates in β ladder)trans-109.4129-178.6177.90000109.7K33 T38S31-K33 PolarHBondContact O-N 3.32Å; S31-T38 PolarHBondContact N-O 3.38Å; S31-T38 PolarHBondContact O-N 3.44Å
32L81.4Confident87.4Confident108 Ų10869.5 Ų69.557%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-73.6118.9170.8-176.271.3000108.9G34 V37L32-G34 WeakPolarHBondContact CG-O 3.49Å; L32-V37 HydrophobicContact CD1-CG2 3.73Å
33K80Confident87.6Confident136 Ų13673.2 Ų73.259%0.59138%0.383SS*.EExtended strand (participates in β ladder)trans-118.5107.3176.2-66.9-172.1176.5-172.90108.8S31 N35 T36S31-K33 PolarHBondContact O-N 3.32Å; K33-N35 PolarHBondContact O-N 2.8Å; K33-T36 PolarHBondContact N-O 2.9Å; K33-T36 PolarHBondContact O-N 3.39Å
34G81Confident87.7Confident73 Ų7372.9 Ų72.975%0.75338%0.381SS*.THydrogen-bonded Turntrans59.4-123.5-165.300000109.6L32L32-G34 WeakPolarHBondContact CG-O 3.49Å
35N78.4Confident87.8Confident153 Ų15368.7 Ų68.782%0.81836%0.361SS*.THydrogen-bonded Turntrans-91.3-2.7174.2-155.922.9000113.8K33K33-N35 PolarHBondContact O-N 2.8Å
36T77.3Confident87.8Confident95 Ų9568.6 Ų68.658%0.58336%0.361SS*.EExtended strand (participates in β ladder)trans-103.8116.9-170.8-57.30000112.1K33 T38K33-T36 PolarHBondContact N-O 2.9Å; K33-T36 PolarHBondContact O-N 3.39Å; T36-T38 PolarHBondContact O-N 2.86Å
37V84.3Confident87.8Confident55 Ų5564.5 Ų64.533%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-73.6109.4172.3179.60000109.6M30 L32 F105M30-V37 HydrophobicContact CB-CG1 3.65Å; M30-V37 HydrophobicContact CG-CG1 4.4Å; M30-V37 HydrophobicContact SD-CG1 3.93Å; L32-V37 HydrophobicContact CD1-CG2 3.73Å; V37-F105 HydrophobicContact CG1-CB 4.29Å; V37-F105 HydrophobicContact CG1-CD2 4.16Å; V37-F105 HydrophobicContact CG1-CG 4.29Å; V37-F105 HydrophobicContact CG2-CD2 4.09Å; V37-F105 HydrophobicContact CG2-CE2 3.97Å
38T87.4Confident87.7Confident54 Ų5464.5 Ų64.533%0.33135%0.346SS..EExtended strand (participates in β ladder)trans-100.1119.2179.8-55.20000110.3M30 S31 T36M30-T38 CarbonylContact C-O 3.59Å; M30-T38 WeakPolarHBondContact CA-O 3.49Å; S31-T38 PolarHBondContact N-O 3.38Å; S31-T38 PolarHBondContact O-N 3.44Å; T36-T38 PolarHBondContact O-N 2.86Å
39P89.2Confident87.6Confident64 Ų6467.7 Ų67.742%0.41636%0.361SS..EExtended strand (participates in β ladder)trans-67.7133174.125.8-31.8000111.7M30M30-P39 HydrophobicContact CE-CB 3.87Å; M30-P39 HydrophobicContact CG-CB 4.23Å
40D89.2Confident87.5Confident44 Ų4468.5 Ų68.524%0.23537%0.365CS..PPolyproline II helixtrans-73131.5164.5-167-14.6000109K29 R42 W107K29-D40 HydrophobicContact CG-CB 4.26Å; K29-D40 VanDerWaalsContact O-CB 3.28Å; K29-D40 WeakPolarHBondContact O-CB 3.42Å; K29-D40 PolarHBondContact O-N 3.27Å; D40-R42 VanDerWaalsContact C-N 3.33Å; D40-R42 WeakPolarHBondContact OD1-CB 3.41Å; D40-R42 VanDerWaalsContact OD1-CG 3.25Å; D40-R42 WeakPolarHBondContact OD1-CG 3.39Å; D40-R42 PolarHBondContact OD1-N 2.89Å; D40-R42 WeakPolarHBondContact OD2-CD 3.41Å; D40-W107 VanDerWaalsContact O-CZ2 3.3Å; D40-W107 WeakPolarHBondContact O-CZ2 3.38Å; D40-W107 PolarHBondContact O-NE1 3.37Å
41K88.3Confident87.2Confident193 Ų19368.3 Ų68.384%0.83937%0.367SS*.  trans-82.8-9.6177.8-62.1-177.9-178.9179.10112.4
42R90.5Very high87.1Confident84 Ų8473.2 Ų73.232%0.31739%0.388SS..SBendtrans-62.8150.4176.9-68.8167.580.7-164.44111.3D40 G44 W60 D62 D69 Q109D40-R42 VanDerWaalsContact C-N 3.33Å; D40-R42 WeakPolarHBondContact OD1-CB 3.41Å; D40-R42 VanDerWaalsContact OD1-CG 3.25Å; D40-R42 WeakPolarHBondContact OD1-CG 3.39Å; D40-R42 PolarHBondContact OD1-N 2.89Å; D40-R42 WeakPolarHBondContact OD2-CD 3.41Å; R42-G44 PolarHBondContact O-N 3.32Å; R42-W60 HydrophobicContact CB-CH2 4.4Å; R42-D62 IonicContact CZ-OD2 3Å; R42-D62 IonicContact NE-OD1 3.68Å; R42-D62 IonicContact NE-OD2 3.62Å; R42-D62 PolarHBondContact NE-OD2 2.93Å; R42-D62 VanDerWaalsContact NH2-CG 3.29Å; R42-D62 IonicContact NH2-OD2 2.96Å; R42-D62 PolarHBondContact NH2-OD2 3.14Å; R42-D69 IonicContact CZ-OD2 3.75Å; R42-D69 IonicContact NH1-OD1 2.67Å; R42-D69 IonicContact NH1-OD2 2.65Å; R42-D69 PolarHBondContact NH1-OD2 2.93Å; R42-D69 VanDerWaalsContact NH1-OD2 3.11Å; R42-D69 IonicContact NH2-OD2 3.31Å; R42-D69 PolarHBondContact NH2-OD2 3.29Å; R42-Q109 PolarHBondContact O-NE2 3.22Å
43K91.8Very high87.2Confident133 Ų13371.6 Ų71.658%0.57838%0.38SS*.  trans-84.2100.3-179.3-73.9176-179.5170.90109.2R63 Q109K43-R63 HydrophobicContact CB-CB 4.46Å; K43-R63 WeakPolarHBondContact O-CA 3.44Å; K43-R63 WeakPolarHBondContact O-CB 3.4Å; K43-R63 WeakPolarHBondContact O-CG 3.38Å; K43-R63 PolarHBondContact O-N 2.93Å; K43-Q109 VanDerWaalsContact CA-OE1 3.27Å
44G93.2Very high87.2Confident0 Ų067.4 Ų67.40%037%0.368CS..EExtended strand (participates in β ladder)trans-91.5160.9-175.800000114.2A27 R42 W60 K61 R63A27-G44 PolarHBondContact N-O 3.5Å; A27-G44 CarbonylContact O-C 3.47Å; A27-G44 WeakPolarHBondContact O-CA 3.48Å; R42-G44 PolarHBondContact O-N 3.32Å; G44-W60 VanDerWaalsContact CA-CZ2 3.4Å; G44-K61 CarbonylContact C-O 3.57Å; G44-K61 WeakPolarHBondContact CA-O 3.41Å; G44-R63 VanDerWaalsContact C-CD 3.5Å; G44-R63 WeakPolarHBondContact O-CD 3.38Å
45L93.1Very high87.5Confident18 Ų1866.4 Ų66.49%0.09435%0.345CS..EExtended strand (participates in β ladder)trans-128.4119.5160.7-159.885.1000108.3E24 F25 R26 K61 R63E24-L45 HydrophobicContact CB-CD2 4.11Å; E24-L45 WeakPolarHBondContact OE2-CD2 3.23Å; F25-L45 WeakPolarHBondContact O-CD1 3.34Å; R26-L45 HydrophobicContact CB-CD1 4.49Å; R26-L45 HydrophobicContact CG-CD1 3.75Å; L45-K61 HydrophobicContact CB-CG 4.02Å; L45-K61 PolarHBondContact N-O 3.28Å; L45-K61 PolarHBondContact O-N 3.34Å; L45-R63 HydrophobicContact CB-CG 3.82Å
46V94.1Very high88Confident0 Ų059.2 Ų59.20%031%0.306CS..EExtended strand (participates in β ladder)trans-80.9136.8162.9173.70000107.2E24 F25 A27 F58 C59 F106E24-V46 WeakPolarHBondContact CA-O 3.23Å; F25-V46 HydrophobicContact CD1-CB 4.31Å; F25-V46 HydrophobicContact CD1-CG1 4.37Å; F25-V46 HydrophobicContact CD2-CB 4.24Å; F25-V46 HydrophobicContact CE1-CB 3.84Å; F25-V46 HydrophobicContact CE1-CG1 3.54Å; F25-V46 HydrophobicContact CE2-CB 3.77Å; F25-V46 HydrophobicContact CE2-CG1 4.2Å; F25-V46 HydrophobicContact CE2-CG2 3.99Å; F25-V46 HydrophobicContact CZ-CB 3.56Å; F25-V46 HydrophobicContact CZ-CG1 3.45Å; F25-V46 VanDerWaalsContact CZ-CG1 3.45Å; F25-V46 HydrophobicContact CZ-CG2 4.03Å; F25-V46 PolarHBondContact N-O 3.45Å; F25-V46 PolarHBondContact O-N 3.45Å; A27-V46 HydrophobicContact CB-CG2 4Å; V46-F58 HydrophobicContact CG1-CD2 4.46Å; V46-F58 HydrophobicContact CG1-CE1 4.03Å; V46-F58 HydrophobicContact CG1-CE2 3.67Å; V46-F58 HydrophobicContact CG1-CZ 3.42Å; V46-F58 VanDerWaalsContact CG1-CZ 3.42Å; V46-F58 HydrophobicContact CG2-CZ 4.31Å; V46-C59 WeakPolarHBondContact CA-O 3.45Å; V46-F106 HydrophobicContact CG2-CD1 3.98Å; V46-F106 HydrophobicContact CG2-CE1 4.3Å
47Y92.4Very high88.7Confident13 Ų1355.8 Ų55.85%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-144.3151.2168.865-84.7000111Y21 V23 Q49 C59 K61 V68Y21-Y47 AromaticContact CD1-CD2 3.23Å; Y21-Y47 HydrophobicContact CD1-CD2 3.23Å; Y21-Y47 AromaticContact CD1-CE2 3.76Å; Y21-Y47 HydrophobicContact CD1-CE2 3.76Å; Y21-Y47 HydrophobicContact CD1-CG 4.03Å; Y21-Y47 HydrophobicContact CD2-CD2 4.14Å; Y21-Y47 HydrophobicContact CD2-CG 4.12Å; Y21-Y47 AromaticContact CE1-CD2 3.11Å; Y21-Y47 HydrophobicContact CE1-CD2 3.11Å; Y21-Y47 AromaticContact CE1-CE2 3.18Å; Y21-Y47 HydrophobicContact CE1-CE2 3.18Å; Y21-Y47 AromaticContact CE1-CG 3.93Å; Y21-Y47 HydrophobicContact CE1-CG 3.93Å; Y21-Y47 HydrophobicContact CE2-CD2 4.06Å; Y21-Y47 HydrophobicContact CE2-CG 4.03Å; Y21-Y47 AromaticContact CG-CD2 3.74Å; Y21-Y47 HydrophobicContact CG-CD2 3.74Å; Y21-Y47 HydrophobicContact CG-CG 4.09Å; Y21-Y47 AromaticContact CZ-CD2 3.52Å; Y21-Y47 AromaticContact CZ-CE2 3.6Å; Y21-Y47 AromaticContact CZ-CG 3.88Å; V23-Y47 CarbonylContact O-C 3.59Å; V23-Y47 WeakPolarHBondContact O-CA 3.41Å; Y47-Q49 HydrophobicContact CD2-CB 4.46Å; Y47-Q49 HydrophobicContact CE2-CB 4.5Å; Y47-C59 HydrophobicContact CD1-CB 3.97Å; Y47-C59 HydrophobicContact CD2-CB 3.94Å; Y47-C59 HydrophobicContact CE1-CB 3.48Å; Y47-C59 VanDerWaalsContact CE1-CB 3.48Å; Y47-C59 HydrophobicContact CE2-CB 3.44Å; Y47-C59 VanDerWaalsContact CE2-CB 3.44Å; Y47-C59 WeakPolarHBondContact CE2-SG 3.17Å; Y47-C59 HydrophobicContact CG-CB 4.22Å; Y47-C59 PolarHBondContact N-O 3.34Å; Y47-C59 PolarHBondContact O-N 2.87Å; Y47-K61 HydrophobicContact CD1-CD 4.21Å; Y47-K61 HydrophobicContact CD1-CG 4.05Å; Y47-K61 HydrophobicContact CE1-CB 4.08Å; Y47-K61 HydrophobicContact CE1-CD 3.67Å; Y47-K61 HydrophobicContact CE1-CG 3.65Å; Y47-V68 VanDerWaalsContact OH-CG2 3.29Å; Y47-V68 WeakPolarHBondContact OH-CG2 3.42Å
48I92.4Very high89.1Confident0 Ų053.2 Ų53.20%027%0.268CS..EExtended strand (participates in β ladder)trans-112.7125.4176.1-60.1-178.9000107.6Y21 L22 V23 I56 H57 F58 V123 L127Y21-I48 CarbonylContact C-O 3.58Å; Y21-I48 VanDerWaalsContact CA-O 3.23Å; Y21-I48 WeakPolarHBondContact CA-O 3.25Å; Y21-I48 WeakPolarHBondContact CB-O 3.33Å; L22-I48 HydrophobicContact CB-CG2 4.45Å; L22-I48 HydrophobicContact CD1-CG2 4.2Å; L22-I48 PolarHBondContact N-O 3.24Å; V23-I48 HydrophobicContact CB-CB 4.42Å; V23-I48 HydrophobicContact CB-CD1 4.47Å; V23-I48 HydrophobicContact CB-CG1 4.5Å; V23-I48 HydrophobicContact CG2-CD1 4.29Å; V23-I48 PolarHBondContact O-N 3.11Å; I48-I56 HydrophobicContact CG2-CG2 3.42Å; I48-I56 VanDerWaalsContact CG2-CG2 3.42Å; I48-H57 WeakPolarHBondContact CA-O 3.32Å; I48-F58 HydrophobicContact CD1-CD2 4.21Å; I48-F58 HydrophobicContact CG1-CD2 4.02Å; I48-V123 HydrophobicContact CD1-CB 4.17Å; I48-V123 HydrophobicContact CD1-CG1 4.06Å; I48-V123 HydrophobicContact CD1-CG2 3.94Å; I48-L127 HydrophobicContact CD1-CD2 4.29Å; I48-L127 HydrophobicContact CD1-CG 4.3Å
49Q90.1Very high89.3Confident67 Ų6750.9 Ų50.931%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-121.2149.3176.3-176.9166.5-2200109.4Y21 Y47 H57Y21-Q49 HydrophobicContact CD1-CB 4.09Å; Y21-Q49 HydrophobicContact CD1-CG 4.47Å; Y21-Q49 VanDerWaalsContact CE1-OE1 3.31Å; Y47-Q49 HydrophobicContact CD2-CB 4.46Å; Y47-Q49 HydrophobicContact CE2-CB 4.5Å; Q49-H57 PolarHBondContact N-O 3.19Å; Q49-H57 PolarHBondContact O-N 2.99Å
50Q88.1Confident89.6Confident54 Ų5447.9 Ų47.925%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-96.1129.9162.1-170.2171.134.100108.1L22 S54 L55 I56 P131L22-Q50 HydrophobicContact CD1-CB 4.34Å; Q50-S54 PolarHBondContact NE2-O 2.96Å; Q50-L55 WeakPolarHBondContact CA-O 3.45Å; Q50-I56 HydrophobicContact CB-CD1 4.35Å; Q50-I56 HydrophobicContact CG-CD1 4.38Å; Q50-P131 PolarHBondContact NE2-O 3.03Å
51S85.1Confident89.8Confident28 Ų2847.2 Ų47.220%0.19623%0.229CC..  trans-86.2172.6175.4-77.80000111.3D53 S54 L55 H57S51-D53 WeakPolarHBondContact CB-OD1 3.32Å; S51-D53 PolarHBondContact O-N 3.45Å; S51-S54 WeakPolarHBondContact O-CA 3.41Å; S51-S54 PolarHBondContact O-N 3.46Å; S51-L55 PolarHBondContact N-O 2.86Å; S51-L55 VanDerWaalsContact N-O 3.07Å; S51-H57 WeakPolarHBondContact CB-NE2 3.47Å; S51-H57 PolarHBondContact OG-CD2 3.1Å; S51-H57 PolarHBondContact OG-NE2 3.48Å
52D82.6Confident90.1Very high166 Ų16638 Ų3889%0.88819%0.189SC*.THydrogen-bonded Turntrans-67.5-21.2179.652.7-70.4000113.6S54D52-S54 PolarHBondContact O-N 2.99Å
53D82Confident90Very high74 Ų7439.4 Ų39.440%0.39619%0.194SC..THydrogen-bonded Turntrans-71.3-3.6166.670.5-9.4000113.7S51 L55S51-D53 WeakPolarHBondContact CB-OD1 3.32Å; S51-D53 PolarHBondContact O-N 3.45Å; D53-L55 VanDerWaalsContact C-N 3.28Å; D53-L55 HydrophobicContact CB-CD1 4.22Å; D53-L55 VanDerWaalsContact O-CD1 3.25Å; D53-L55 WeakPolarHBondContact O-CD1 3.41Å; D53-L55 PolarHBondContact O-N 3.09Å; D53-L55 PolarHBondContact OD1-N 3.3Å
54S81.1Confident89.8Confident47 Ų4737.9 Ų37.933%0.32920%0.196SC..SBendtrans73.60.2-175.2-44.40000116.2Q50 S51 D52 P133Q50-S54 PolarHBondContact NE2-O 2.96Å; S51-S54 WeakPolarHBondContact O-CA 3.41Å; S51-S54 PolarHBondContact O-N 3.46Å; D52-S54 PolarHBondContact O-N 2.99Å; S54-P133 WeakPolarHBondContact OG-CG 3.35Å
55L86.4Confident89.5Confident52 Ų5241.8 Ų41.827%0.27222%0.22SC..  trans-81161.2-179.9-78.865.3000111.5Q50 S51 D53 I73 F75Q50-L55 WeakPolarHBondContact CA-O 3.45Å; S51-L55 PolarHBondContact N-O 2.86Å; S51-L55 VanDerWaalsContact N-O 3.07Å; D53-L55 VanDerWaalsContact C-N 3.28Å; D53-L55 HydrophobicContact CB-CD1 4.22Å; D53-L55 VanDerWaalsContact O-CD1 3.25Å; D53-L55 WeakPolarHBondContact O-CD1 3.41Å; D53-L55 PolarHBondContact O-N 3.09Å; D53-L55 PolarHBondContact OD1-N 3.3Å; L55-I73 HydrophobicContact CB-CG2 4.01Å; L55-I73 HydrophobicContact CD2-CG2 3.55Å; L55-I73 HydrophobicContact CG-CG2 4.37Å; L55-F75 HydrophobicContact CD2-CD1 4.31Å; L55-F75 HydrophobicContact CD2-CE1 3.63Å; L55-F75 HydrophobicContact CD2-CZ 4.06Å
56I90.5Very high89.1Confident2 Ų243.3 Ų43.31%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-96.4110.7-175-57.9-61.6000110.1L22 I48 Q50 I74 L127 P130L22-I56 HydrophobicContact CD1-CD1 3.9Å; I48-I56 HydrophobicContact CG2-CG2 3.42Å; I48-I56 VanDerWaalsContact CG2-CG2 3.42Å; Q50-I56 HydrophobicContact CB-CD1 4.35Å; Q50-I56 HydrophobicContact CG-CD1 4.38Å; I56-I74 PolarHBondContact O-N 3.18Å; I56-L127 HydrophobicContact CG2-CD2 3.84Å; I56-P130 HydrophobicContact CD1-CB 3.81Å; I56-P130 HydrophobicContact CG1-CB 3.78Å
57H90.9Very high88.9Confident23 Ų2348 Ų4811%0.10627%0.266CS..EExtended strand (participates in β ladder)trans-87.2117.2171.6-77.5-120.6000110.1I48 Q49 S51 D71I48-H57 WeakPolarHBondContact CA-O 3.32Å; Q49-H57 PolarHBondContact N-O 3.19Å; Q49-H57 PolarHBondContact O-N 2.99Å; S51-H57 WeakPolarHBondContact CB-NE2 3.47Å; S51-H57 PolarHBondContact OG-CD2 3.1Å; S51-H57 PolarHBondContact OG-NE2 3.48Å; H57-D71 IonicContact CE1-OD2 3.92Å; H57-D71 IonicContact CG-OD1 3.68Å; H57-D71 VanDerWaalsContact ND1-CG 3.34Å; H57-D71 IonicContact ND1-OD1 3.94Å; H57-D71 PolarHBondContact ND1-OD1 2.97Å; H57-D71 IonicContact ND1-OD2 3.8Å; H57-D71 PolarHBondContact ND1-OD2 3.2Å
58F92.9Very high88.8Confident2 Ų251 Ų511%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-92.5107.8165.6-175.3-78.5000108.5V46 I48 L72 I74 L95 F106 V123 L127V46-F58 HydrophobicContact CG1-CD2 4.46Å; V46-F58 HydrophobicContact CG1-CE1 4.03Å; V46-F58 HydrophobicContact CG1-CE2 3.67Å; V46-F58 HydrophobicContact CG1-CZ 3.42Å; V46-F58 VanDerWaalsContact CG1-CZ 3.42Å; V46-F58 HydrophobicContact CG2-CZ 4.31Å; I48-F58 HydrophobicContact CD1-CD2 4.21Å; I48-F58 HydrophobicContact CG1-CD2 4.02Å; F58-L72 PolarHBondContact N-O 2.87Å; F58-L72 PolarHBondContact O-N 3.44Å; F58-I74 HydrophobicContact CB-CD1 4.21Å; F58-I74 HydrophobicContact CB-CG1 3.68Å; F58-L95 HydrophobicContact CD1-CD2 4Å; F58-L95 HydrophobicContact CD2-CD2 4.18Å; F58-L95 HydrophobicContact CE1-CD2 4.03Å; F58-L95 HydrophobicContact CE2-CD2 4.19Å; F58-L95 HydrophobicContact CG-CD2 4.09Å; F58-L95 HydrophobicContact CZ-CD2 4.11Å; F58-F106 HydrophobicContact CE1-CE1 4.19Å; F58-F106 AromaticContact CE1-CE2 3.84Å; F58-F106 HydrophobicContact CE1-CE2 3.84Å; F58-F106 AromaticContact CE1-CZ 3.54Å; F58-F106 HydrophobicContact CE1-CZ 3.54Å; F58-F106 HydrophobicContact CZ-CD2 4.42Å; F58-F106 AromaticContact CZ-CE2 3.9Å; F58-F106 HydrophobicContact CZ-CE2 3.9Å; F58-F106 HydrophobicContact CZ-CZ 4Å; F58-V123 HydrophobicContact CE2-CG1 4.38Å; F58-L127 HydrophobicContact CD2-CD2 4.46Å
59C92.6Very high88.6Confident4 Ų454.2 Ų54.23%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-112.4144.8-175.9-44.50000111.8V46 Y47 V68 D70 D71V46-C59 WeakPolarHBondContact CA-O 3.45Å; Y47-C59 HydrophobicContact CD1-CB 3.97Å; Y47-C59 HydrophobicContact CD2-CB 3.94Å; Y47-C59 HydrophobicContact CE1-CB 3.48Å; Y47-C59 VanDerWaalsContact CE1-CB 3.48Å; Y47-C59 HydrophobicContact CE2-CB 3.44Å; Y47-C59 VanDerWaalsContact CE2-CB 3.44Å; Y47-C59 WeakPolarHBondContact CE2-SG 3.17Å; Y47-C59 HydrophobicContact CG-CB 4.22Å; Y47-C59 PolarHBondContact N-O 3.34Å; Y47-C59 PolarHBondContact O-N 2.87Å; C59-V68 HydrophobicContact CB-CG1 4.26Å; C59-D70 CarbonylContact C-O 3.26Å; C59-D70 WeakPolarHBondContact CA-O 3.41Å; C59-D71 PolarHBondContact SG-OD1 3.42Å
60W94.6Very high88.6Confident1 Ų153.4 Ų53.40%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-117.8128164.4-171.791000110.3A27 K29 R42 G44 D62 D69 D70A27-W60 PolarHBondContact O-NE1 2.99Å; K29-W60 HydrophobicContact CB-CD2 4.4Å; K29-W60 HydrophobicContact CD-CD2 3.94Å; K29-W60 HydrophobicContact CD-CE3 3.84Å; K29-W60 HydrophobicContact CD-CG 4.5Å; K29-W60 HydrophobicContact CD-CH2 4.38Å; K29-W60 HydrophobicContact CD-CZ2 4.49Å; K29-W60 HydrophobicContact CD-CZ3 4.07Å; K29-W60 HydrophobicContact CG-CD2 4.12Å; K29-W60 HydrophobicContact CG-CE3 4.34Å; K29-W60 HydrophobicContact CG-CH2 4.19Å; K29-W60 HydrophobicContact CG-CZ2 3.97Å; K29-W60 HydrophobicContact CG-CZ3 4.38Å; R42-W60 HydrophobicContact CB-CH2 4.4Å; G44-W60 VanDerWaalsContact CA-CZ2 3.4Å; W60-D62 HydrophobicContact CH2-CB 4.02Å; W60-D62 HydrophobicContact CZ3-CB 3.97Å; W60-D69 HydrophobicContact CE3-CB 3.46Å; W60-D69 VanDerWaalsContact CE3-CB 3.46Å; W60-D69 HydrophobicContact CZ3-CB 3.5Å; W60-D69 VanDerWaalsContact CZ3-CB 3.5Å; W60-D69 PolarHBondContact O-N 3.47Å; W60-D70 HydrophobicContact CB-CB 4.19Å; W60-D70 PolarHBondContact N-O 3.41Å; W60-D70 PolarHBondContact O-N 2.89Å
61K93Very high88.7Confident30 Ų3055 Ų5513%0.1331%0.31CS..EExtended strand (participates in β ladder)trans-121.2142.5173.263.6176.6173.7-90.70112.3Y21 G44 L45 Y47 R63 N67 V68Y21-K61 VanDerWaalsContact CE2-NZ 3.31Å; Y21-K61 PolarHBondContact OH-NZ 3.48Å; G44-K61 CarbonylContact C-O 3.57Å; G44-K61 WeakPolarHBondContact CA-O 3.41Å; L45-K61 HydrophobicContact CB-CG 4.02Å; L45-K61 PolarHBondContact N-O 3.28Å; L45-K61 PolarHBondContact O-N 3.34Å; Y47-K61 HydrophobicContact CD1-CD 4.21Å; Y47-K61 HydrophobicContact CD1-CG 4.05Å; Y47-K61 HydrophobicContact CE1-CB 4.08Å; Y47-K61 HydrophobicContact CE1-CD 3.67Å; Y47-K61 HydrophobicContact CE1-CG 3.65Å; K61-R63 PolarHBondContact O-N 2.83Å; K61-N67 CarbonylContact C-O 3.41Å; K61-N67 VanDerWaalsContact CA-O 3.24Å; K61-N67 WeakPolarHBondContact CA-O 3.37Å; K61-N67 VanDerWaalsContact CB-O 3.24Å; K61-N67 WeakPolarHBondContact CB-O 3.23Å; K61-V68 HydrophobicContact CB-CG2 4.31Å
62D94Very high88.9Confident1 Ų155.1 Ų55.11%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-76.1119.7169169.735.4000109.6R42 W60 T64 T65 G66 N67R42-D62 IonicContact CZ-OD2 3Å; R42-D62 IonicContact NE-OD1 3.68Å; R42-D62 IonicContact NE-OD2 3.62Å; R42-D62 PolarHBondContact NE-OD2 2.93Å; R42-D62 VanDerWaalsContact NH2-CG 3.29Å; R42-D62 IonicContact NH2-OD2 2.96Å; R42-D62 PolarHBondContact NH2-OD2 3.14Å; W60-D62 HydrophobicContact CH2-CB 4.02Å; W60-D62 HydrophobicContact CZ3-CB 3.97Å; D62-T64 PolarHBondContact O-N 3.47Å; D62-T64 WeakPolarHBondContact OD1-CB 3.41Å; D62-T64 PolarHBondContact OD1-N 2.86Å; D62-T64 PolarHBondContact OD1-OG1 3.41Å; D62-T64 WeakPolarHBondContact OD2-CB 3.35Å; D62-T65 WeakPolarHBondContact OD2-CB 3.38Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.27Å; D62-T65 PolarHBondContact OD2-N 3.42Å; D62-T65 PolarHBondContact OD2-OG1 2.89Å; D62-G66 VanDerWaalsContact O-CA 3.23Å; D62-G66 WeakPolarHBondContact O-CA 3.48Å; D62-G66 PolarHBondContact O-N 3.19Å; D62-N67 PolarHBondContact N-O 3.29Å
63R88.9Confident89.3Confident112 Ų11251.1 Ų51.142%0.42329%0.286SS..THydrogen-bonded Turntrans-73.7-10.2177.1-57.516656.8-150.7-3.7112.7K43 G44 L45 K61K43-R63 HydrophobicContact CB-CB 4.46Å; K43-R63 WeakPolarHBondContact O-CA 3.44Å; K43-R63 WeakPolarHBondContact O-CB 3.4Å; K43-R63 WeakPolarHBondContact O-CG 3.38Å; K43-R63 PolarHBondContact O-N 2.93Å; G44-R63 VanDerWaalsContact C-CD 3.5Å; G44-R63 WeakPolarHBondContact O-CD 3.38Å; L45-R63 HydrophobicContact CB-CG 3.82Å; K61-R63 PolarHBondContact O-N 2.83Å
64T88.1Confident89.6Confident101 Ų10147.7 Ų47.762%0.6227%0.268SS*.THydrogen-bonded Turntrans-82.2-43.6179.7-31.20000111.2D62D62-T64 PolarHBondContact O-N 3.47Å; D62-T64 WeakPolarHBondContact OD1-CB 3.41Å; D62-T64 PolarHBondContact OD1-N 2.86Å; D62-T64 PolarHBondContact OD1-OG1 3.41Å; D62-T64 WeakPolarHBondContact OD2-CB 3.35Å
65T87.5Confident89.9Confident82 Ų8251.1 Ų51.150%0.50328%0.277SS..THydrogen-bonded Turntrans-102.8-18.3177.459.30000114.2D62 N67D62-T65 WeakPolarHBondContact OD2-CB 3.38Å; D62-T65 WeakPolarHBondContact OD2-CG2 3.27Å; D62-T65 PolarHBondContact OD2-N 3.42Å; D62-T65 PolarHBondContact OD2-OG1 2.89Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 WeakPolarHBondContact CB-ND2 3.29Å; T65-N67 PolarHBondContact O-N 2.71Å; T65-N67 PolarHBondContact OG1-ND2 3.07Å
66G84.9Confident89.9Confident50 Ų5052 Ų5252%0.51529%0.286SS..  trans85.5-10.3-177.100000114.8D62D62-G66 VanDerWaalsContact O-CA 3.23Å; D62-G66 WeakPolarHBondContact O-CA 3.48Å; D62-G66 PolarHBondContact O-N 3.19Å
67N89.6Confident89.6Confident100 Ų10056.8 Ų56.854%0.53531%0.312SS..  trans-71.6141.8-177.4-64.2-65000112.3K61 D62 T65K61-N67 CarbonylContact C-O 3.41Å; K61-N67 VanDerWaalsContact CA-O 3.24Å; K61-N67 WeakPolarHBondContact CA-O 3.37Å; K61-N67 VanDerWaalsContact CB-O 3.24Å; K61-N67 WeakPolarHBondContact CB-O 3.23Å; D62-N67 PolarHBondContact N-O 3.29Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 WeakPolarHBondContact CB-ND2 3.29Å; T65-N67 PolarHBondContact O-N 2.71Å; T65-N67 PolarHBondContact OG1-ND2 3.07Å
68V90.4Very high89.4Confident74 Ų7457 Ų5745%0.44831%0.313SS..EExtended strand (participates in β ladder)trans-77.1121.5163.8-169.90000107Y47 C59 K61 D70 D71Y47-V68 VanDerWaalsContact OH-CG2 3.29Å; Y47-V68 WeakPolarHBondContact OH-CG2 3.42Å; C59-V68 HydrophobicContact CB-CG1 4.26Å; K61-V68 HydrophobicContact CB-CG2 4.31Å; V68-D70 WeakPolarHBondContact CG1-O 3.33Å; V68-D71 HydrophobicContact CG1-CB 4.3Å
69D87.9Confident89.1Confident69 Ų6956.9 Ų56.937%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-108-27.6-169.3-135.4-96.7000109.8K29 R42 W60K29-D69 WeakPolarHBondContact CE-OD1 3.31Å; K29-D69 IonicContact NZ-OD1 3.11Å; K29-D69 PolarHBondContact NZ-OD1 3.4Å; R42-D69 IonicContact CZ-OD2 3.75Å; R42-D69 IonicContact NH1-OD1 2.67Å; R42-D69 IonicContact NH1-OD2 2.65Å; R42-D69 PolarHBondContact NH1-OD2 2.93Å; R42-D69 VanDerWaalsContact NH1-OD2 3.11Å; R42-D69 IonicContact NH2-OD2 3.31Å; R42-D69 PolarHBondContact NH2-OD2 3.29Å; W60-D69 HydrophobicContact CE3-CB 3.46Å; W60-D69 VanDerWaalsContact CE3-CB 3.46Å; W60-D69 HydrophobicContact CZ3-CB 3.5Å; W60-D69 VanDerWaalsContact CZ3-CB 3.5Å; W60-D69 PolarHBondContact O-N 3.47Å
70D88.9Confident88.9Confident49 Ų4959.4 Ų59.426%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-133.9133.5167.2-58.7-103.2000109K29 C59 W60 V68K29-D70 WeakPolarHBondContact CD-OD2 3.39Å; K29-D70 WeakPolarHBondContact CE-OD2 3.36Å; K29-D70 IonicContact NZ-OD2 3.4Å; K29-D70 PolarHBondContact NZ-OD2 2.98Å; C59-D70 CarbonylContact C-O 3.26Å; C59-D70 WeakPolarHBondContact CA-O 3.41Å; W60-D70 HydrophobicContact CB-CB 4.19Å; W60-D70 PolarHBondContact N-O 3.41Å; W60-D70 PolarHBondContact O-N 2.89Å; V68-D70 WeakPolarHBondContact CG1-O 3.33Å
71D91.8Very high88.7Confident87 Ų8759.7 Ų59.747%0.46533%0.326SS..EExtended strand (participates in β ladder)trans-130.9127.5165.3-173.218.8000108.3H57 C59 V68H57-D71 IonicContact CE1-OD2 3.92Å; H57-D71 IonicContact CG-OD1 3.68Å; H57-D71 VanDerWaalsContact ND1-CG 3.34Å; H57-D71 IonicContact ND1-OD1 3.94Å; H57-D71 PolarHBondContact ND1-OD1 2.97Å; H57-D71 IonicContact ND1-OD2 3.8Å; H57-D71 PolarHBondContact ND1-OD2 3.2Å; C59-D71 PolarHBondContact SG-OD1 3.42Å; V68-D71 HydrophobicContact CG1-CB 4.3Å
72L89.3Confident88.6Confident32 Ų3263.3 Ų63.317%0.16834%0.342CS..EExtended strand (participates in β ladder)trans-138.2112.3-169.3-63.3170000109.6F58 I74 F97 L104F58-L72 PolarHBondContact N-O 2.87Å; F58-L72 PolarHBondContact O-N 3.44Å; L72-I74 HydrophobicContact CB-CD1 4.01Å; L72-I74 PolarHBondContact O-N 3.16Å; L72-F97 HydrophobicContact CD1-CZ 4.33Å; L72-L104 HydrophobicContact CD1-CD1 3.33Å
73I90.1Very high88.4Confident81 Ų8169 Ų6942%0.41536%0.363SS..EExtended strand (participates in β ladder)trans-70.9124.2171.4-58.3178.8000108.2L55L55-I73 HydrophobicContact CB-CG2 4.01Å; L55-I73 HydrophobicContact CD2-CG2 3.55Å; L55-I73 HydrophobicContact CG-CG2 4.37Å
74I89.1Confident88.4Confident2 Ų265 Ų651%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-115.6126.6-179.3-47.5-57.6000109.2I56 F58 L72 C79 F97 L127I56-I74 PolarHBondContact O-N 3.18Å; F58-I74 HydrophobicContact CB-CD1 4.21Å; F58-I74 HydrophobicContact CB-CG1 3.68Å; L72-I74 HydrophobicContact CB-CD1 4.01Å; L72-I74 PolarHBondContact O-N 3.16Å; I74-C79 HydrophobicContact CG2-CB 3.65Å; I74-F97 HydrophobicContact CD1-CE1 3.71Å; I74-F97 HydrophobicContact CD1-CZ 3.89Å; I74-L127 HydrophobicContact CB-CD2 3.94Å; I74-L127 HydrophobicContact CG1-CD2 3.95Å; I74-L127 HydrophobicContact CG2-CD2 3.92Å
75F86.3Confident88.1Confident120 Ų12065.6 Ų65.653%0.52635%0.351SS..  trans-82.5151.5172.8-66.9-80.3000111.2L55 D77 D78L55-F75 HydrophobicContact CD2-CD1 4.31Å; L55-F75 HydrophobicContact CD2-CE1 3.63Å; L55-F75 HydrophobicContact CD2-CZ 4.06Å; F75-D77 PolarHBondContact O-N 3.46Å; F75-D78 HydrophobicContact CB-CB 4.16Å; F75-D78 WeakPolarHBondContact O-CB 3.38Å; F75-D78 PolarHBondContact O-N 3.25Å
76P86.8Confident87.6Confident71 Ų7170 Ų7046%0.46137%0.365SS..THydrogen-bonded Turntrans-51138.9170.3-26.836.9000111.1D78 P130P76-D78 PolarHBondContact O-N 3.1Å; P76-P130 HydrophobicContact CG-CG 3.83Å
77D83.6Confident86.9Confident102 Ų10269.8 Ų69.855%0.54536%0.355SS..THydrogen-bonded Turntrans59.90.7-174.5-98-70.9000116.8F75 K98 N128F75-D77 PolarHBondContact O-N 3.46Å; D77-K98 WeakPolarHBondContact O-CD 3.36Å; D77-K98 WeakPolarHBondContact O-CE 3.42Å; D77-K98 PolarHBondContact O-NZ 3.29Å; D77-K98 IonicContact OD1-NZ 3.59Å; D77-K98 PolarHBondContact OD1-NZ 3.14Å; D77-N128 WeakPolarHBondContact CA-OD1 3.34Å
78D86.7Confident85.7Confident26 Ų2671.6 Ų71.614%0.13937%0.37CS..THydrogen-bonded Turntrans-80.1-25.3176.7-177.242000113.5F75 P76 F97 K98 A99F75-D78 HydrophobicContact CB-CB 4.16Å; F75-D78 WeakPolarHBondContact O-CB 3.38Å; F75-D78 PolarHBondContact O-N 3.25Å; P76-D78 PolarHBondContact O-N 3.1Å; D78-F97 CarbonylContact O-C 3.55Å; D78-F97 WeakPolarHBondContact O-CA 3.5Å; D78-K98 WeakPolarHBondContact O-CB 3.49Å; D78-K98 WeakPolarHBondContact O-CG 3.49Å; D78-K98 PolarHBondContact O-N 3.01Å; D78-K98 PolarHBondContact OD1-N 3.22Å; D78-A99 WeakPolarHBondContact OD1-CB 3.42Å; D78-A99 PolarHBondContact OD1-N 2.85Å
79C87.4Confident84.4Confident0 Ų074.9 Ų74.90%039%0.39CS..EExtended strand (participates in β ladder)trans-121.1139.7-178.6-81.20000114.8I74 L95 K96 F97 L127 N128I74-C79 HydrophobicContact CG2-CB 3.65Å; C79-L95 HydrophobicContact CB-CD1 3.82Å; C79-L95 HydrophobicContact CB-CG 4.36Å; C79-K96 WeakPolarHBondContact CA-O 3.32Å; C79-F97 WeakPolarHBondContact SG-CD1 3.24Å; C79-F97 VanDerWaalsContact SG-CE1 3.54Å; C79-L127 HydrophobicContact CB-CD1 4.13Å; C79-N128 PolarHBondContact O-ND2 3.13Å
80E88.6Confident83.6Confident58 Ų5873.4 Ų73.427%0.27139%0.392SS..EExtended strand (participates in β ladder)trans-118.1125.5171.4-173.7179.9-130.600109.6K82 K96E80-K82 HydrophobicContact CG-CD 4.12Å; E80-K82 HydrophobicContact CG-CG 4.18Å; E80-K82 WeakPolarHBondContact OE1-CE 3.39Å; E80-K82 IonicContact OE1-NZ 2.75Å; E80-K82 PolarHBondContact OE1-NZ 3.45Å; E80-K82 WeakPolarHBondContact OE2-CD 3.41Å; E80-K82 VanDerWaalsContact OE2-CE 3.31Å; E80-K82 WeakPolarHBondContact OE2-CE 3.29Å; E80-K82 IonicContact OE2-NZ 3.09Å; E80-K82 PolarHBondContact OE2-NZ 2.94Å; E80-K96 PolarHBondContact N-O 2.9Å; E80-K96 PolarHBondContact O-N 3.24Å
81F90.8Very high83.4Confident6 Ų674.6 Ų74.63%0.02639%0.393CS..EExtended strand (participates in β ladder)trans-106.1114.5178.8-171-108.4000110.3F25 Y93 V94 L95 F106 M108 C120 V123 N124F25-F81 HydrophobicContact CZ-CZ 4.24Å; F81-Y93 HydrophobicContact CD1-CD1 4.26Å; F81-Y93 AromaticContact CE1-CD1 3.59Å; F81-Y93 HydrophobicContact CE1-CD1 3.59Å; F81-Y93 HydrophobicContact CE1-CE1 4.38Å; F81-Y93 AromaticContact CE1-CG 3.95Å; F81-Y93 HydrophobicContact CE1-CG 3.95Å; F81-Y93 VanDerWaalsContact CZ-CB 3.4Å; F81-Y93 AromaticContact CZ-CD1 3.91Å; F81-Y93 HydrophobicContact CZ-CD1 3.91Å; F81-Y93 AromaticContact CZ-CG 3.77Å; F81-Y93 HydrophobicContact CZ-CG 3.77Å; F81-V94 WeakPolarHBondContact CA-O 3.22Å; F81-L95 HydrophobicContact CB-CD1 4.11Å; F81-L95 HydrophobicContact CD2-CB 4.07Å; F81-L95 HydrophobicContact CD2-CD1 3.98Å; F81-F106 HydrophobicContact CE2-CD2 4.29Å; F81-M108 HydrophobicContact CE1-CE 4.39Å; F81-M108 HydrophobicContact CZ-CE 4.39Å; F81-C120 HydrophobicContact CD1-CB 4.29Å; F81-C120 HydrophobicContact CE1-CB 4.32Å; F81-V123 HydrophobicContact CB-CG1 3.6Å; F81-V123 HydrophobicContact CD1-CB 3.95Å; F81-V123 HydrophobicContact CD1-CG1 3.69Å; F81-V123 HydrophobicContact CD1-CG2 4.45Å; F81-V123 HydrophobicContact CD2-CG1 4.15Å; F81-V123 HydrophobicContact CE1-CB 4.45Å; F81-V123 HydrophobicContact CE1-CG1 4.37Å; F81-V123 HydrophobicContact CE1-CG2 4.48Å; F81-V123 HydrophobicContact CG-CB 4.32Å; F81-V123 HydrophobicContact CG-CG1 3.56Å; F81-N124 PolarHBondContact N-OD1 2.88Å; F81-N124 VanDerWaalsContact N-OD1 3.15Å
82K90.5Very high83.3Confident107 Ų10770.9 Ų70.947%0.46537%0.373SS..EExtended strand (participates in β ladder)trans-128.8146.3-173.3-88175.3173.5159.10112.6E80 Y93 V94E80-K82 HydrophobicContact CG-CD 4.12Å; E80-K82 HydrophobicContact CG-CG 4.18Å; E80-K82 WeakPolarHBondContact OE1-CE 3.39Å; E80-K82 IonicContact OE1-NZ 2.75Å; E80-K82 PolarHBondContact OE1-NZ 3.45Å; E80-K82 WeakPolarHBondContact OE2-CD 3.41Å; E80-K82 VanDerWaalsContact OE2-CE 3.31Å; E80-K82 WeakPolarHBondContact OE2-CE 3.29Å; E80-K82 IonicContact OE2-NZ 3.09Å; E80-K82 PolarHBondContact OE2-NZ 2.94Å; K82-Y93 CarbonylContact O-C 3.59Å; K82-Y93 VanDerWaalsContact O-CA 3.29Å; K82-Y93 WeakPolarHBondContact O-CA 3.45Å; K82-V94 HydrophobicContact CB-CG1 4.36Å; K82-V94 PolarHBondContact N-O 2.83Å; K82-V94 PolarHBondContact O-N 3.22Å
83R89.4Confident83.4Confident119 Ų11969.5 Ų69.545%0.44937%0.366SS..EExtended strand (participates in β ladder)trans-73.3136.1170.2-163.7176.771.8-160.91.9110.7N85 Y93 E117R83-N85 PolarHBondContact NE-OD1 3.14Å; R83-N85 PolarHBondContact NH2-OD1 3.01Å; R83-N85 PolarHBondContact O-N 2.95Å; R83-Y93 HydrophobicContact CB-CD1 3.9Å; R83-Y93 HydrophobicContact CB-CE1 3.57Å; R83-Y93 HydrophobicContact CG-CD1 4.24Å; R83-Y93 HydrophobicContact CG-CE1 3.75Å; R83-Y93 HydrophobicContact CG-CE2 4.22Å; R83-E117 IonicContact NH1-OE2 3.75Å
84V88.4Confident83.5Confident30 Ų3066.7 Ų66.718%0.18235%0.352CS..  trans-91.288.3177.8-176.30000109.1Q86 C87 V92 V94 F105V84-Q86 HydrophobicContact CG1-CB 4.39Å; V84-Q86 PolarHBondContact O-N 3.34Å; V84-Q86 VanDerWaalsContact O-N 3.11Å; V84-C87 PolarHBondContact O-N 2.97Å; V84-C87 VanDerWaalsContact O-N 3.13Å; V84-V92 HydrophobicContact CB-CB 4.28Å; V84-V92 HydrophobicContact CB-CG1 4.15Å; V84-V92 HydrophobicContact CG2-CG1 4.16Å; V84-V92 PolarHBondContact N-O 3.22Å; V84-V94 HydrophobicContact CG2-CB 3.87Å; V84-V94 HydrophobicContact CG2-CG1 3.78Å; V84-F105 HydrophobicContact CG2-CD1 4.36Å; V84-F105 HydrophobicContact CG2-CE1 4.36Å
85N81.3Confident83.6Confident113 Ų11366.6 Ų66.660%0.60435%0.352SS*.THydrogen-bonded Turntrans-61.4-18.9-177.4-69.5-23.2000114.2R83 C87R83-N85 PolarHBondContact NE-OD1 3.14Å; R83-N85 PolarHBondContact NH2-OD1 3.01Å; R83-N85 PolarHBondContact O-N 2.95Å; N85-C87 PolarHBondContact O-N 2.92Å
86Q78.6Confident83.9Confident175 Ų17565.6 Ų65.682%0.81835%0.347SS*.THydrogen-bonded Turntrans-69.9-16.9176.5-60.3-66.664.200113.3V84 T88V84-Q86 HydrophobicContact CG1-CB 4.39Å; V84-Q86 PolarHBondContact O-N 3.34Å; V84-Q86 VanDerWaalsContact O-N 3.11Å; Q86-T88 PolarHBondContact O-N 3.16Å
87C68.8Low84Confident45 Ų4563.3 Ų63.330%0.30433%0.33SS..  trans-8785.9-180-66.70000111.3V84 N85 T89 V92V84-C87 PolarHBondContact O-N 2.97Å; V84-C87 VanDerWaalsContact O-N 3.13Å; N85-C87 PolarHBondContact O-N 2.92Å; C87-T89 PolarHBondContact O-N 3.42Å; C87-V92 HydrophobicContact CB-CB 3.85Å; C87-V92 HydrophobicContact CB-CG2 3.72Å
88T64.4Low84.2Confident137 Ų13763.3 Ų63.384%0.8433%0.325SS*.THydrogen-bonded Turntrans-66.9-20.8176.6530000114Q86Q86-T88 PolarHBondContact O-N 3.16Å
89T63.6Low83.8Confident143 Ų14366.5 Ų66.588%0.87736%0.355SS*.THydrogen-bonded Turntrans-88.5-3.7-175.952.20000114.7C87C87-T89 PolarHBondContact O-N 3.42Å
90G71.1Confident83.3Confident39 Ų3968.3 Ų68.340%0.40237%0.374SS..SBendtrans178.7166.6-179.500000115.2V92G90-V92 PolarHBondContact O-N 3.49Å
91R84.9Confident82.9Confident73 Ų7371 Ų7128%0.27540%0.4SS..  trans-80.380.9-178.9-72.2173.3-70.2147.4-2.5111.1Y93 W107 M108 E110 K112 D116R91-Y93 HydrophobicContact CB-CE2 4.37Å; R91-W107 WeakPolarHBondContact O-CA 3.37Å; R91-M108 HydrophobicContact CB-CB 3.95Å; R91-M108 HydrophobicContact CB-CG 4.32Å; R91-M108 PolarHBondContact O-N 3.37Å; R91-E110 PolarHBondContact NH1-O 3.11Å; R91-E110 VanDerWaalsContact NH1-O 3.17Å; R91-E110 PolarHBondContact NH2-O 2.77Å; R91-K112 PolarHBondContact NH1-O 3.24Å; R91-D116 WeakPolarHBondContact CD-OD1 3.31Å; R91-D116 WeakPolarHBondContact CD-OD2 3.29Å; R91-D116 IonicContact CZ-OD1 2.79Å; R91-D116 IonicContact NH1-OD1 3.47Å; R91-D116 PolarHBondContact NH1-OD1 3.13Å
92V90.6Very high82.6Confident9 Ų975.6 Ų75.66%0.05542%0.419CS..EExtended strand (participates in β ladder)trans-97.3139.2-178.1-175.80000111M30 V84 C87 G90 F106 W107M30-V92 HydrophobicContact CE-CG1 4.29Å; M30-V92 HydrophobicContact CE-CG2 3.84Å; M30-V92 HydrophobicContact SD-CG1 3.88Å; V84-V92 HydrophobicContact CB-CB 4.28Å; V84-V92 HydrophobicContact CB-CG1 4.15Å; V84-V92 HydrophobicContact CG2-CG1 4.16Å; V84-V92 PolarHBondContact N-O 3.22Å; C87-V92 HydrophobicContact CB-CB 3.85Å; C87-V92 HydrophobicContact CB-CG2 3.72Å; G90-V92 PolarHBondContact O-N 3.49Å; V92-F106 CarbonylContact C-O 3.55Å; V92-F106 WeakPolarHBondContact CA-O 3.22Å; V92-W107 HydrophobicContact CG2-CB 4.4Å
93Y91.6Very high82.5Confident3 Ų378 Ų781%0.01243%0.426CS..EExtended strand (participates in β ladder)trans-128.8155.6177.5-67.6-100.5000109.5F81 K82 R83 R91 F105 F106 M108 D116 C120F81-Y93 HydrophobicContact CD1-CD1 4.26Å; F81-Y93 AromaticContact CE1-CD1 3.59Å; F81-Y93 HydrophobicContact CE1-CD1 3.59Å; F81-Y93 HydrophobicContact CE1-CE1 4.38Å; F81-Y93 AromaticContact CE1-CG 3.95Å; F81-Y93 HydrophobicContact CE1-CG 3.95Å; F81-Y93 VanDerWaalsContact CZ-CB 3.4Å; F81-Y93 AromaticContact CZ-CD1 3.91Å; F81-Y93 HydrophobicContact CZ-CD1 3.91Å; F81-Y93 AromaticContact CZ-CG 3.77Å; F81-Y93 HydrophobicContact CZ-CG 3.77Å; K82-Y93 CarbonylContact O-C 3.59Å; K82-Y93 VanDerWaalsContact O-CA 3.29Å; K82-Y93 WeakPolarHBondContact O-CA 3.45Å; R83-Y93 HydrophobicContact CB-CD1 3.9Å; R83-Y93 HydrophobicContact CB-CE1 3.57Å; R83-Y93 HydrophobicContact CG-CD1 4.24Å; R83-Y93 HydrophobicContact CG-CE1 3.75Å; R83-Y93 HydrophobicContact CG-CE2 4.22Å; R91-Y93 HydrophobicContact CB-CE2 4.37Å; Y93-F105 WeakPolarHBondContact O-CA 3.33Å; Y93-F106 PolarHBondContact N-O 2.88Å; Y93-F106 PolarHBondContact O-N 2.9Å; Y93-M108 HydrophobicContact CD2-CE 3.77Å; Y93-M108 HydrophobicContact CD2-CG 3.74Å; Y93-M108 HydrophobicContact CD2-SD 4.5Å; Y93-M108 HydrophobicContact CE1-CE 4.45Å; Y93-M108 HydrophobicContact CE2-CE 3.7Å; Y93-M108 HydrophobicContact CE2-CG 3.44Å; Y93-M108 VanDerWaalsContact CE2-CG 3.44Å; Y93-M108 HydrophobicContact CE2-SD 4.44Å; Y93-M108 HydrophobicContact CG-CE 4.21Å; Y93-D116 VanDerWaalsContact CE2-OD2 3.3Å; Y93-D116 WeakPolarHBondContact CE2-OD2 3.27Å; Y93-D116 VanDerWaalsContact OH-CB 3.31Å; Y93-D116 WeakPolarHBondContact OH-CB 3.46Å; Y93-D116 PolarHBondContact OH-OD2 2.89Å; Y93-C120 HydrophobicContact CD1-CB 4.42Å; Y93-C120 HydrophobicContact CE1-CB 3.85Å
94V91.8Very high82.6Confident22 Ų2273.9 Ų73.913%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-126.6128.5174.863.10000109.6F81 K82 V84 R103 L104 F105F81-V94 WeakPolarHBondContact CA-O 3.22Å; K82-V94 HydrophobicContact CB-CG1 4.36Å; K82-V94 PolarHBondContact N-O 2.83Å; K82-V94 PolarHBondContact O-N 3.22Å; V84-V94 HydrophobicContact CG2-CB 3.87Å; V84-V94 HydrophobicContact CG2-CG1 3.78Å; V94-R103 HydrophobicContact CG2-CB 3.94Å; V94-L104 CarbonylContact C-O 3.56Å; V94-L104 WeakPolarHBondContact CA-O 3.49Å; V94-F105 HydrophobicContact CB-CD1 3.86Å; V94-F105 HydrophobicContact CB-CE1 3.92Å; V94-F105 HydrophobicContact CG2-CD1 3.91Å; V94-F105 HydrophobicContact CG2-CE1 3.76Å; V94-F105 HydrophobicContact CG2-CG 4.46Å; V94-F105 HydrophobicContact CG2-CZ 4.2Å
95L91.7Very high82.8Confident0 Ų074.6 Ų74.60%041%0.413CS..EExtended strand (participates in β ladder)trans-88.2109.4161.4-170.870000106.9F58 C79 F81 F97 L104 F106 L127F58-L95 HydrophobicContact CD1-CD2 4Å; F58-L95 HydrophobicContact CD2-CD2 4.18Å; F58-L95 HydrophobicContact CE1-CD2 4.03Å; F58-L95 HydrophobicContact CE2-CD2 4.19Å; F58-L95 HydrophobicContact CG-CD2 4.09Å; F58-L95 HydrophobicContact CZ-CD2 4.11Å; C79-L95 HydrophobicContact CB-CD1 3.82Å; C79-L95 HydrophobicContact CB-CG 4.36Å; F81-L95 HydrophobicContact CB-CD1 4.11Å; F81-L95 HydrophobicContact CD2-CB 4.07Å; F81-L95 HydrophobicContact CD2-CD1 3.98Å; L95-F97 HydrophobicContact CD2-CE2 4.15Å; L95-F97 HydrophobicContact CD2-CZ 4.23Å; L95-F97 HydrophobicContact CG-CE2 4.39Å; L95-L104 HydrophobicContact CB-CB 4.38Å; L95-L104 PolarHBondContact N-O 3.43Å; L95-L104 PolarHBondContact O-N 3.3Å; L95-F106 HydrophobicContact CB-CD2 4.45Å; L95-F106 HydrophobicContact CB-CE2 3.97Å; L95-L127 HydrophobicContact CD1-CD1 3.69Å
96K90.8Very high83.3Confident99 Ų9969.6 Ų69.643%0.4339%0.386SS..EExtended strand (participates in β ladder)trans-101.5122.8177.8-179.2-165.1167.1-1650108.5C79 E80C79-K96 WeakPolarHBondContact CA-O 3.32Å; E80-K96 PolarHBondContact N-O 2.9Å; E80-K96 PolarHBondContact O-N 3.24Å
97F89.6Confident84Confident23 Ų2364.8 Ų64.810%0.10136%0.36CS..EExtended strand (participates in β ladder)trans-76.3148.4170.2-67.9-102.9000109.7L72 I74 D78 C79 L95 G100 K102 L104L72-F97 HydrophobicContact CD1-CZ 4.33Å; I74-F97 HydrophobicContact CD1-CE1 3.71Å; I74-F97 HydrophobicContact CD1-CZ 3.89Å; D78-F97 CarbonylContact O-C 3.55Å; D78-F97 WeakPolarHBondContact O-CA 3.5Å; C79-F97 WeakPolarHBondContact SG-CD1 3.24Å; C79-F97 VanDerWaalsContact SG-CE1 3.54Å; L95-F97 HydrophobicContact CD2-CE2 4.15Å; L95-F97 HydrophobicContact CD2-CZ 4.23Å; L95-F97 HydrophobicContact CG-CE2 4.39Å; F97-G100 CarbonylContact C-O 3.59Å; F97-G100 VanDerWaalsContact O-O 3.08Å; F97-K102 HydrophobicContact CB-CB 4.44Å; F97-K102 HydrophobicContact CD2-CB 3.96Å; F97-K102 HydrophobicContact CD2-CD 4.2Å; F97-K102 HydrophobicContact CD2-CG 4.05Å; F97-K102 WeakPolarHBondContact CD2-O 3.42Å; F97-K102 HydrophobicContact CE2-CD 4.09Å; F97-K102 HydrophobicContact CE2-CG 4.27Å; F97-K102 HydrophobicContact CG-CB 4.31Å; F97-K102 PolarHBondContact N-O 3.44Å; F97-L104 HydrophobicContact CE2-CD1 3.97Å; F97-L104 HydrophobicContact CE2-CG 4.23Å; F97-L104 HydrophobicContact CZ-CD1 4.38Å
98K86.9Confident85.1Confident102 Ų10263 Ų6344%0.44335%0.348SS..SBendtrans-98.2-38.5176.8-63.1-168.8-149.1152.70110.5D77 D78 G100D77-K98 WeakPolarHBondContact O-CD 3.36Å; D77-K98 WeakPolarHBondContact O-CE 3.42Å; D77-K98 PolarHBondContact O-NZ 3.29Å; D77-K98 IonicContact OD1-NZ 3.59Å; D77-K98 PolarHBondContact OD1-NZ 3.14Å; D78-K98 WeakPolarHBondContact O-CB 3.49Å; D78-K98 WeakPolarHBondContact O-CG 3.49Å; D78-K98 PolarHBondContact O-N 3.01Å; D78-K98 PolarHBondContact OD1-N 3.22Å; K98-G100 PolarHBondContact O-N 3.15Å
99A79Confident86.3Confident93 Ų9358.1 Ų58.177%0.76932%0.315SS*.SBendtrans-72.40.6174.700000114.5D78D78-A99 WeakPolarHBondContact OD1-CB 3.42Å; D78-A99 PolarHBondContact OD1-N 2.85Å
100G76.6Confident87.5Confident38 Ų3853.1 Ų53.139%0.39228%0.282SS..SBendtrans-165.4166175.500000113.5F97 K98 K102F97-G100 CarbonylContact C-O 3.59Å; F97-G100 VanDerWaalsContact O-O 3.08Å; K98-G100 PolarHBondContact O-N 3.15Å; G100-K102 PolarHBondContact O-N 3.03Å; G100-K102 VanDerWaalsContact O-N 3.15Å
101S80.1Confident88.2Confident116 Ų11656.5 Ų56.581%0.81130%0.297SS*.SBendtrans-72.9-0.4-179.356.90000114.7
102K85.3Confident88.3Confident101 Ų10160 Ų6044%0.43931%0.314SS..  trans-61.7132.3-177.3-170.4177.7-178.8-176.80111.3F97 G100F97-K102 HydrophobicContact CB-CB 4.44Å; F97-K102 HydrophobicContact CD2-CB 3.96Å; F97-K102 HydrophobicContact CD2-CD 4.2Å; F97-K102 HydrophobicContact CD2-CG 4.05Å; F97-K102 WeakPolarHBondContact CD2-O 3.42Å; F97-K102 HydrophobicContact CE2-CD 4.09Å; F97-K102 HydrophobicContact CE2-CG 4.27Å; F97-K102 HydrophobicContact CG-CB 4.31Å; F97-K102 PolarHBondContact N-O 3.44Å; G100-K102 PolarHBondContact O-N 3.03Å; G100-K102 VanDerWaalsContact O-N 3.15Å
103R89.1Confident88.1Confident159 Ų15963.8 Ų63.860%0.634%0.337SS*.EExtended strand (participates in β ladder)trans-130.6123.6176.2-59.4174.4-160.3179.34.3107.9V94 F105V94-R103 HydrophobicContact CG2-CB 3.94Å; R103-F105 HydrophobicContact CB-CE2 4.04Å; R103-F105 HydrophobicContact CB-CZ 4.27Å
104L90.2Very high87.8Confident32 Ų3269.7 Ų69.717%0.16837%0.369CS..EExtended strand (participates in β ladder)trans-109.9123.7174.3-64.6177.3000108.8L72 V94 L95 F97 F106L72-L104 HydrophobicContact CD1-CD1 3.33Å; V94-L104 CarbonylContact C-O 3.56Å; V94-L104 WeakPolarHBondContact CA-O 3.49Å; L95-L104 HydrophobicContact CB-CB 4.38Å; L95-L104 PolarHBondContact N-O 3.43Å; L95-L104 PolarHBondContact O-N 3.3Å; F97-L104 HydrophobicContact CE2-CD1 3.97Å; F97-L104 HydrophobicContact CE2-CG 4.23Å; F97-L104 HydrophobicContact CZ-CD1 4.38Å; L104-F106 HydrophobicContact CB-CD2 4.5Å; L104-F106 HydrophobicContact CB-CE2 3.57Å; L104-F106 HydrophobicContact CB-CZ 3.87Å; L104-F106 HydrophobicContact CD1-CZ 4.4Å
105F92.3Very high87.6Confident44 Ų4474 Ų7419%0.19339%0.386CS..EExtended strand (participates in β ladder)trans-100134.9-177.2-64.8-85.7000110.1K29 M30 V37 V84 Y93 V94 R103K29-F105 CarbonylContact C-O 3.54Å; M30-F105 HydrophobicContact CB-CB 3.94Å; M30-F105 HydrophobicContact CG-CB 4.11Å; M30-F105 PolarHBondContact N-O 3.49Å; M30-F105 HydrophobicContact SD-CB 3.73Å; V37-F105 HydrophobicContact CG1-CB 4.29Å; V37-F105 HydrophobicContact CG1-CD2 4.16Å; V37-F105 HydrophobicContact CG1-CG 4.29Å; V37-F105 HydrophobicContact CG2-CD2 4.09Å; V37-F105 HydrophobicContact CG2-CE2 3.97Å; V84-F105 HydrophobicContact CG2-CD1 4.36Å; V84-F105 HydrophobicContact CG2-CE1 4.36Å; Y93-F105 WeakPolarHBondContact O-CA 3.33Å; V94-F105 HydrophobicContact CB-CD1 3.86Å; V94-F105 HydrophobicContact CB-CE1 3.92Å; V94-F105 HydrophobicContact CG2-CD1 3.91Å; V94-F105 HydrophobicContact CG2-CE1 3.76Å; V94-F105 HydrophobicContact CG2-CG 4.46Å; V94-F105 HydrophobicContact CG2-CZ 4.2Å; R103-F105 HydrophobicContact CB-CE2 4.04Å; R103-F105 HydrophobicContact CB-CZ 4.27Å
106F92.9Very high87.3Confident8 Ų874.4 Ų74.44%0.03539%0.388CS..EExtended strand (participates in β ladder)trans-131.2148-178.6-60.9-81.3000109.9G28 K29 V46 F58 F81 V92 Y93 L95 L104G28-F106 CarbonylContact O-C 3.6Å; G28-F106 VanDerWaalsContact O-CA 3.28Å; G28-F106 WeakPolarHBondContact O-CA 3.41Å; K29-F106 HydrophobicContact CB-CD1 4.08Å; K29-F106 HydrophobicContact CB-CE1 3.97Å; V46-F106 HydrophobicContact CG2-CD1 3.98Å; V46-F106 HydrophobicContact CG2-CE1 4.3Å; F58-F106 HydrophobicContact CE1-CE1 4.19Å; F58-F106 AromaticContact CE1-CE2 3.84Å; F58-F106 HydrophobicContact CE1-CE2 3.84Å; F58-F106 AromaticContact CE1-CZ 3.54Å; F58-F106 HydrophobicContact CE1-CZ 3.54Å; F58-F106 HydrophobicContact CZ-CD2 4.42Å; F58-F106 AromaticContact CZ-CE2 3.9Å; F58-F106 HydrophobicContact CZ-CE2 3.9Å; F58-F106 HydrophobicContact CZ-CZ 4Å; F81-F106 HydrophobicContact CE2-CD2 4.29Å; V92-F106 CarbonylContact C-O 3.55Å; V92-F106 WeakPolarHBondContact CA-O 3.22Å; Y93-F106 PolarHBondContact N-O 2.88Å; Y93-F106 PolarHBondContact O-N 2.9Å; L95-F106 HydrophobicContact CB-CD2 4.45Å; L95-F106 HydrophobicContact CB-CE2 3.97Å; L104-F106 HydrophobicContact CB-CD2 4.5Å; L104-F106 HydrophobicContact CB-CE2 3.57Å; L104-F106 HydrophobicContact CB-CZ 3.87Å; L104-F106 HydrophobicContact CD1-CZ 4.4Å
107W92.1Very high87.1Confident74 Ų7476.4 Ų76.428%0.2840%0.399SS..EExtended strand (participates in β ladder)trans-127.8128.1179.566.1-85.4000111.3A27 G28 M30 D40 R91 V92 Q109A27-W107 CarbonylContact C-O 3.52Å; A27-W107 WeakPolarHBondContact CA-O 3.08Å; A27-W107 WeakPolarHBondContact CB-O 3.47Å; G28-W107 PolarHBondContact N-O 3.29Å; G28-W107 VanDerWaalsContact O-CD1 3.24Å; G28-W107 PolarHBondContact O-N 3.15Å; M30-W107 HydrophobicContact CE-CB 4.07Å; M30-W107 HydrophobicContact CE-CG 4.33Å; D40-W107 VanDerWaalsContact O-CZ2 3.3Å; D40-W107 WeakPolarHBondContact O-CZ2 3.38Å; D40-W107 PolarHBondContact O-NE1 3.37Å; R91-W107 WeakPolarHBondContact O-CA 3.37Å; V92-W107 HydrophobicContact CG2-CB 4.4Å; W107-Q109 HydrophobicContact CD2-CG 4.27Å; W107-Q109 HydrophobicContact CE3-CG 3.79Å; W107-Q109 HydrophobicContact CH2-CG 3.7Å; W107-Q109 VanDerWaalsContact CH2-NE2 3.31Å; W107-Q109 HydrophobicContact CZ2-CG 4.16Å; W107-Q109 HydrophobicContact CZ3-CG 3.5Å; W107-Q109 VanDerWaalsContact CZ3-CG 3.5Å; W107-Q109 PolarHBondContact O-N 3.32Å
108M91.9Very high87.1Confident9 Ų979 Ų794%0.04441%0.411CS..EExtended strand (participates in β ladder)trans-69.3127.7-172.8-66-64.7-171.100111.7F25 A27 F81 R91 Y93 D116 F119F25-M108 HydrophobicContact CD2-CE 3.85Å; F25-M108 HydrophobicContact CD2-SD 3.41Å; F25-M108 WeakPolarHBondContact CD2-SD 3.48Å; F25-M108 HydrophobicContact CE2-CE 3.54Å; F25-M108 HydrophobicContact CE2-SD 3.51Å; F25-M108 VanDerWaalsContact CE2-SD 3.51Å; F25-M108 HydrophobicContact CZ-CE 4.21Å; A27-M108 HydrophobicContact CB-SD 4.12Å; F81-M108 HydrophobicContact CE1-CE 4.39Å; F81-M108 HydrophobicContact CZ-CE 4.39Å; R91-M108 HydrophobicContact CB-CB 3.95Å; R91-M108 HydrophobicContact CB-CG 4.32Å; R91-M108 PolarHBondContact O-N 3.37Å; Y93-M108 HydrophobicContact CD2-CE 3.77Å; Y93-M108 HydrophobicContact CD2-CG 3.74Å; Y93-M108 HydrophobicContact CD2-SD 4.5Å; Y93-M108 HydrophobicContact CE1-CE 4.45Å; Y93-M108 HydrophobicContact CE2-CE 3.7Å; Y93-M108 HydrophobicContact CE2-CG 3.44Å; Y93-M108 VanDerWaalsContact CE2-CG 3.44Å; Y93-M108 HydrophobicContact CE2-SD 4.44Å; Y93-M108 HydrophobicContact CG-CE 4.21Å; M108-D116 WeakPolarHBondContact CG-OD2 3.44Å; M108-F119 HydrophobicContact CE-CB 4.48Å
109Q91Very high87.3Confident34 Ų3475.6 Ų75.616%0.15940%0.397CS..  trans-107.52.9178.5-68.9-177.71.300112.6R26 R42 K43 W107R26-Q109 HydrophobicContact CB-CB 3.89Å; R26-Q109 WeakPolarHBondContact O-CA 3.47Å; R26-Q109 PolarHBondContact O-N 3.1Å; R42-Q109 PolarHBondContact O-NE2 3.22Å; K43-Q109 VanDerWaalsContact CA-OE1 3.27Å; W107-Q109 HydrophobicContact CD2-CG 4.27Å; W107-Q109 HydrophobicContact CE3-CG 3.79Å; W107-Q109 HydrophobicContact CH2-CG 3.7Å; W107-Q109 VanDerWaalsContact CH2-NE2 3.31Å; W107-Q109 HydrophobicContact CZ2-CG 4.16Å; W107-Q109 HydrophobicContact CZ3-CG 3.5Å; W107-Q109 VanDerWaalsContact CZ3-CG 3.5Å; W107-Q109 PolarHBondContact O-N 3.32Å
110E87.9Confident87.7Confident37 Ų3772.2 Ų72.217%0.17337%0.367CS..  trans-66135.7169.7-70.3-57.2157.400110.6R26 R91 K112 F119R26-E110 HydrophobicContact CB-CG 4.23Å; R26-E110 VanDerWaalsContact CB-OE1 3.24Å; R26-E110 WeakPolarHBondContact CB-OE1 3.31Å; R26-E110 WeakPolarHBondContact CD-OE1 3.44Å; R26-E110 WeakPolarHBondContact CG-OE1 3.09Å; R26-E110 PolarHBondContact N-OE1 3.05Å; R26-E110 IonicContact NE-OE1 3.75Å; R26-E110 IonicContact NE-OE2 2.74Å; R26-E110 IonicContact NH1-OE2 2.66Å; R26-E110 PolarHBondContact O-N 3.14Å; R91-E110 PolarHBondContact NH1-O 3.11Å; R91-E110 VanDerWaalsContact NH1-O 3.17Å; R91-E110 PolarHBondContact NH2-O 2.77Å; E110-K112 PolarHBondContact O-N 3.41Å; E110-F119 HydrophobicContact CG-CE2 4.12Å
111P86.4Confident88.4Confident111 Ų11179 Ų7972%0.72138%0.381SS*.SBendtrans-72.9-10.4-175.531.5-36.6000113.4
112K86.3Confident88.8Confident146 Ų14677.3 Ų77.364%0.63536%0.359SS*.  trans-115.4150.7178.2-74.4-165.5174.1-159.50110.2R91 E110 D114R91-K112 PolarHBondContact NH1-O 3.24Å; E110-K112 PolarHBondContact O-N 3.41Å; K112-D114 WeakPolarHBondContact CB-OD2 3.45Å
113T86.9Confident89.1Confident89 Ų8972.5 Ų72.555%0.54634%0.338SS..SBendtrans-99.7-14.8178.459.70000112.8K115 D116T113-K115 PolarHBondContact O-N 2.93Å; T113-D116 WeakPolarHBondContact O-CB 3.38Å; T113-D116 PolarHBondContact O-N 3.26Å; T113-D116 VanDerWaalsContact O-N 3.12Å
114D85.9Confident89.1Confident127 Ų12767.4 Ų67.468%0.67932%0.323SS*.THydrogen-bonded Turntrans-60.4-20.5-172-41.9-98.3000113.9K112K112-D114 WeakPolarHBondContact CB-OD2 3.45Å
115K86.4Confident89.1Confident111 Ų11170.1 Ų70.148%0.48334%0.335SS..THydrogen-bonded Turntrans-108.4-3.3-176.9-62.1-164170.5-155.90114.4T113 E117 E118 F119T113-K115 PolarHBondContact O-N 2.93Å; K115-E117 VanDerWaalsContact C-N 3.29Å; K115-E117 PolarHBondContact O-N 2.78Å; K115-E118 HydrophobicContact CB-CB 4.49Å; K115-E118 WeakPolarHBondContact O-CB 3.4Å; K115-E118 PolarHBondContact O-N 3.36Å; K115-E118 VanDerWaalsContact O-N 3.12Å; K115-F119 HydrophobicContact CB-CD2 3.86Å; K115-F119 HydrophobicContact CB-CE2 3.51Å; K115-F119 HydrophobicContact CB-CZ 4.19Å; K115-F119 HydrophobicContact CD-CE2 4.36Å; K115-F119 HydrophobicContact CD-CZ 4.29Å; K115-F119 WeakPolarHBondContact O-CD2 3.3Å; K115-F119 WeakPolarHBondContact O-CG 3.38Å; K115-F119 PolarHBondContact O-N 3.04Å
116D85.8Confident88.8Confident10 Ų1070.2 Ų70.25%0.05334%0.335CS..Hα-helixtrans-53.1-47.1-179.2-100.672000111.9R91 Y93 M108 T113 C120R91-D116 WeakPolarHBondContact CD-OD1 3.31Å; R91-D116 WeakPolarHBondContact CD-OD2 3.29Å; R91-D116 IonicContact CZ-OD1 2.79Å; R91-D116 IonicContact NH1-OD1 3.47Å; R91-D116 PolarHBondContact NH1-OD1 3.13Å; Y93-D116 VanDerWaalsContact CE2-OD2 3.3Å; Y93-D116 WeakPolarHBondContact CE2-OD2 3.27Å; Y93-D116 VanDerWaalsContact OH-CB 3.31Å; Y93-D116 WeakPolarHBondContact OH-CB 3.46Å; Y93-D116 PolarHBondContact OH-OD2 2.89Å; M108-D116 WeakPolarHBondContact CG-OD2 3.44Å; T113-D116 WeakPolarHBondContact O-CB 3.38Å; T113-D116 PolarHBondContact O-N 3.26Å; T113-D116 VanDerWaalsContact O-N 3.12Å; D116-C120 WeakPolarHBondContact O-CB 3.28Å; D116-C120 PolarHBondContact O-N 2.87Å
117E87Confident88.4Confident140 Ų14069.9 Ų69.965%0.65433%0.334SS*.Hα-helixtrans-75.7-31.2178.9-67.4179.650.800112.5R83 K115 C120 R121R83-E117 IonicContact NH1-OE2 3.75Å; K115-E117 VanDerWaalsContact C-N 3.29Å; K115-E117 PolarHBondContact O-N 2.78Å; E117-C120 PolarHBondContact O-N 3.19Å; E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 PolarHBondContact O-N 3.39Å
118E89.4Confident88Confident77 Ų7768.1 Ų68.136%0.3633%0.33SS..Hα-helixtrans-62.9-46172.7-165.5-161.6161.500110.8K115 K122K115-E118 HydrophobicContact CB-CB 4.49Å; K115-E118 WeakPolarHBondContact O-CB 3.4Å; K115-E118 PolarHBondContact O-N 3.36Å; K115-E118 VanDerWaalsContact O-N 3.12Å; E118-K122 HydrophobicContact CG-CD 4.31Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 VanDerWaalsContact O-CG 3.32Å; E118-K122 WeakPolarHBondContact O-CG 3.25Å; E118-K122 PolarHBondContact O-N 2.84Å; E118-K122 WeakPolarHBondContact OE1-CE 3.18Å; E118-K122 IonicContact OE1-NZ 3.4Å; E118-K122 PolarHBondContact OE1-NZ 3.47Å
119F90Very high87.6Confident31 Ų3173.1 Ų73.114%0.13636%0.357CS..Hα-helixtrans-66.1-45.8174.5-66.5-55.1000111.4V23 F25 M108 E110 K115 R121 K122 V123V23-F119 HydrophobicContact CG1-CD1 4.09Å; F25-F119 HydrophobicContact CB-CD1 3.88Å; F25-F119 HydrophobicContact CB-CD2 4.04Å; F25-F119 HydrophobicContact CB-CE1 3.87Å; F25-F119 HydrophobicContact CB-CE2 4.04Å; F25-F119 HydrophobicContact CB-CG 3.97Å; F25-F119 HydrophobicContact CB-CZ 3.95Å; F25-F119 HydrophobicContact CD1-CB 4.33Å; F25-F119 HydrophobicContact CD1-CD1 4.25Å; F25-F119 HydrophobicContact CD1-CG 4.36Å; F25-F119 HydrophobicContact CG-CB 4.45Å; F25-F119 HydrophobicContact CG-CD1 4.35Å; F25-F119 HydrophobicContact CG-CG 4.24Å; M108-F119 HydrophobicContact CE-CB 4.48Å; E110-F119 HydrophobicContact CG-CE2 4.12Å; K115-F119 HydrophobicContact CB-CD2 3.86Å; K115-F119 HydrophobicContact CB-CE2 3.51Å; K115-F119 HydrophobicContact CB-CZ 4.19Å; K115-F119 HydrophobicContact CD-CE2 4.36Å; K115-F119 HydrophobicContact CD-CZ 4.29Å; K115-F119 WeakPolarHBondContact O-CD2 3.3Å; K115-F119 WeakPolarHBondContact O-CG 3.38Å; K115-F119 PolarHBondContact O-N 3.04Å; F119-R121 VanDerWaalsContact C-N 3.32Å; F119-R121 PolarHBondContact O-N 3.26Å; F119-K122 PolarHBondContact O-N 3.37Å; F119-V123 WeakPolarHBondContact O-CB 3.43Å; F119-V123 VanDerWaalsContact O-CG2 3.23Å; F119-V123 WeakPolarHBondContact O-CG2 3.5Å; F119-V123 PolarHBondContact O-N 2.96Å
120C88.6Confident86.7Confident22 Ų2273 Ų7315%0.14936%0.359CS..Hα-helixtrans-58.3-44.2178.6-167.80000111.9F81 Y93 D116 E117 N124F81-C120 HydrophobicContact CD1-CB 4.29Å; F81-C120 HydrophobicContact CE1-CB 4.32Å; Y93-C120 HydrophobicContact CD1-CB 4.42Å; Y93-C120 HydrophobicContact CE1-CB 3.85Å; D116-C120 WeakPolarHBondContact O-CB 3.28Å; D116-C120 PolarHBondContact O-N 2.87Å; E117-C120 PolarHBondContact O-N 3.19Å; C120-N124 PolarHBondContact O-N 3.48Å; C120-N124 VanDerWaalsContact O-N 3.14Å
121R90.2Very high85.6Confident180 Ų18073.6 Ų73.668%0.67937%0.366SS*.Hα-helixtrans-63.3-52.4174.6178.6177.3170.9158.11.2111.4E117 F119 V123 N124 E125E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 PolarHBondContact O-N 3.39Å; F119-R121 VanDerWaalsContact C-N 3.32Å; F119-R121 PolarHBondContact O-N 3.26Å; R121-V123 VanDerWaalsContact C-N 3.34Å; R121-V123 PolarHBondContact O-N 2.9Å; R121-N124 PolarHBondContact O-N 2.91Å; R121-N124 VanDerWaalsContact O-N 3.13Å; R121-E125 IonicContact NE-OE2 2.74Å; R121-E125 PolarHBondContact NE-OE2 3.23Å; R121-E125 IonicContact NH2-OE2 3.68Å; R121-E125 VanDerWaalsContact O-CB 3.32Å; R121-E125 WeakPolarHBondContact O-CB 3.13Å; R121-E125 PolarHBondContact O-N 3Å
122K89.6Confident84.2Confident81 Ų8174.4 Ų74.435%0.35236%0.363SS..Hα-helixtrans-59.1-42.9-179-78.4174.9171.8176.50112.4V23 E118 F119 E125 F126V23-K122 HydrophobicContact CG2-CB 3.97Å; E118-K122 HydrophobicContact CG-CD 4.31Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 VanDerWaalsContact O-CG 3.32Å; E118-K122 WeakPolarHBondContact O-CG 3.25Å; E118-K122 PolarHBondContact O-N 2.84Å; E118-K122 WeakPolarHBondContact OE1-CE 3.18Å; E118-K122 IonicContact OE1-NZ 3.4Å; E118-K122 PolarHBondContact OE1-NZ 3.47Å; F119-K122 PolarHBondContact O-N 3.37Å; K122-E125 PolarHBondContact O-N 2.93Å; K122-F126 HydrophobicContact CB-CD2 4.44Å; K122-F126 HydrophobicContact CB-CE2 4.43Å; K122-F126 WeakPolarHBondContact O-CD2 3.48Å; K122-F126 PolarHBondContact O-N 2.96Å
123V90.9Very high82.3Confident0 Ų071.1 Ų71.10%036%0.356CS..Hα-helixtrans-55.2-54.4172.8168.30000109.9V23 F25 I48 F58 F81 F119 R121 E125 F126 L127V23-V123 HydrophobicContact CG1-CG2 4.45Å; F25-V123 HydrophobicContact CD1-CG2 4.49Å; F25-V123 HydrophobicContact CE1-CG2 3.54Å; F25-V123 HydrophobicContact CZ-CG2 4.12Å; I48-V123 HydrophobicContact CD1-CB 4.17Å; I48-V123 HydrophobicContact CD1-CG1 4.06Å; I48-V123 HydrophobicContact CD1-CG2 3.94Å; F58-V123 HydrophobicContact CE2-CG1 4.38Å; F81-V123 HydrophobicContact CB-CG1 3.6Å; F81-V123 HydrophobicContact CD1-CB 3.95Å; F81-V123 HydrophobicContact CD1-CG1 3.69Å; F81-V123 HydrophobicContact CD1-CG2 4.45Å; F81-V123 HydrophobicContact CD2-CG1 4.15Å; F81-V123 HydrophobicContact CE1-CB 4.45Å; F81-V123 HydrophobicContact CE1-CG1 4.37Å; F81-V123 HydrophobicContact CE1-CG2 4.48Å; F81-V123 HydrophobicContact CG-CB 4.32Å; F81-V123 HydrophobicContact CG-CG1 3.56Å; F119-V123 WeakPolarHBondContact O-CB 3.43Å; F119-V123 VanDerWaalsContact O-CG2 3.23Å; F119-V123 WeakPolarHBondContact O-CG2 3.5Å; F119-V123 PolarHBondContact O-N 2.96Å; R121-V123 VanDerWaalsContact C-N 3.34Å; R121-V123 PolarHBondContact O-N 2.9Å; V123-E125 VanDerWaalsContact C-N 3.28Å; V123-E125 PolarHBondContact O-N 3.11Å; V123-F126 PolarHBondContact O-N 3Å; V123-L127 HydrophobicContact CG1-CD1 3.58Å; V123-L127 HydrophobicContact CG1-CG 4.26Å; V123-L127 WeakPolarHBondContact O-CB 3.37Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.11Å
124N90Very high80.6Confident52 Ų5270.3 Ų70.328%0.27837%0.366SS..Hα-helixtrans-66.4-30.7-178.3-154.590.9000113F81 C120 R121 N128F81-N124 PolarHBondContact N-OD1 2.88Å; F81-N124 VanDerWaalsContact N-OD1 3.15Å; C120-N124 PolarHBondContact O-N 3.48Å; C120-N124 VanDerWaalsContact O-N 3.14Å; R121-N124 PolarHBondContact O-N 2.91Å; R121-N124 VanDerWaalsContact O-N 3.13Å; N124-N128 PolarHBondContact ND2-ND2 2.96Å; N124-N128 VanDerWaalsContact ND2-ND2 3.19Å; N124-N128 WeakPolarHBondContact O-CB 3.3Å; N124-N128 PolarHBondContact O-N 2.8Å; N124-N128 PolarHBondContact O-ND2 3.13Å
125E89.1Confident78.4Confident89 Ų8967.5 Ų67.542%0.41636%0.36SS..Hα-helixtrans-65.7-52.8175.7-159.6169.3108.100110.8R121 K122 V123 L127 N128 N129R121-E125 IonicContact NE-OE2 2.74Å; R121-E125 PolarHBondContact NE-OE2 3.23Å; R121-E125 IonicContact NH2-OE2 3.68Å; R121-E125 VanDerWaalsContact O-CB 3.32Å; R121-E125 WeakPolarHBondContact O-CB 3.13Å; R121-E125 PolarHBondContact O-N 3Å; K122-E125 PolarHBondContact O-N 2.93Å; V123-E125 VanDerWaalsContact C-N 3.28Å; V123-E125 PolarHBondContact O-N 3.11Å; E125-L127 PolarHBondContact O-N 3.33Å; E125-N128 PolarHBondContact O-N 2.74Å; E125-N129 CarbonylContact O-C 3.52Å; E125-N129 WeakPolarHBondContact O-CA 3.2Å; E125-N129 WeakPolarHBondContact O-CB 3.28Å; E125-N129 PolarHBondContact O-N 2.99Å
126F86.1Confident76.6Confident46 Ų4668.7 Ų68.720%0.20238%0.379CS..Hα-helixtrans-70.9-27.2178.6-71.1-66000114.3L22 V23 K122 V123L22-F126 HydrophobicContact CB-CD1 4.01Å; L22-F126 HydrophobicContact CB-CD2 4.04Å; L22-F126 HydrophobicContact CB-CE1 4.04Å; L22-F126 HydrophobicContact CB-CE2 4.07Å; L22-F126 HydrophobicContact CB-CG 4.01Å; L22-F126 HydrophobicContact CB-CZ 4.07Å; L22-F126 HydrophobicContact CD1-CB 4.36Å; L22-F126 HydrophobicContact CD1-CD1 3.77Å; L22-F126 HydrophobicContact CD1-CE1 4.3Å; L22-F126 HydrophobicContact CD1-CG 4.15Å; L22-F126 HydrophobicContact CD2-CD1 4.42Å; L22-F126 HydrophobicContact CD2-CE1 4.11Å; L22-F126 HydrophobicContact CG-CD1 4.28Å; L22-F126 HydrophobicContact CG-CE1 4.37Å; V23-F126 HydrophobicContact CG2-CD2 3.33Å; V23-F126 HydrophobicContact CG2-CE2 3.65Å; V23-F126 HydrophobicContact CG2-CG 4.42Å; K122-F126 HydrophobicContact CB-CD2 4.44Å; K122-F126 HydrophobicContact CB-CE2 4.43Å; K122-F126 WeakPolarHBondContact O-CD2 3.48Å; K122-F126 PolarHBondContact O-N 2.96Å; V123-F126 PolarHBondContact O-N 3Å
127L85.1Confident74.3Confident1 Ų171.1 Ų71.11%0.00541%0.407CS..Hα-helixtrans-76.5-29176.3-67.5177000113.4I48 I56 F58 I74 C79 L95 V123 E125I48-L127 HydrophobicContact CD1-CD2 4.29Å; I48-L127 HydrophobicContact CD1-CG 4.3Å; I56-L127 HydrophobicContact CG2-CD2 3.84Å; F58-L127 HydrophobicContact CD2-CD2 4.46Å; I74-L127 HydrophobicContact CB-CD2 3.94Å; I74-L127 HydrophobicContact CG1-CD2 3.95Å; I74-L127 HydrophobicContact CG2-CD2 3.92Å; C79-L127 HydrophobicContact CB-CD1 4.13Å; L95-L127 HydrophobicContact CD1-CD1 3.69Å; V123-L127 HydrophobicContact CG1-CD1 3.58Å; V123-L127 HydrophobicContact CG1-CG 4.26Å; V123-L127 WeakPolarHBondContact O-CB 3.37Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.11Å; E125-L127 PolarHBondContact O-N 3.33Å
128N83.5Confident72.7Confident38 Ų3871.2 Ų71.220%0.20342%0.423CS..Hα-helixtrans-103.3-25-178.8-64.7-97000112.4D77 C79 N124 E125D77-N128 WeakPolarHBondContact CA-OD1 3.34Å; C79-N128 PolarHBondContact O-ND2 3.13Å; N124-N128 PolarHBondContact ND2-ND2 2.96Å; N124-N128 VanDerWaalsContact ND2-ND2 3.19Å; N124-N128 WeakPolarHBondContact O-CB 3.3Å; N124-N128 PolarHBondContact O-N 2.8Å; N124-N128 PolarHBondContact O-ND2 3.13Å; E125-N128 PolarHBondContact O-N 2.74Å
129N82.4Confident70.2Confident114 Ų11471.1 Ų71.161%0.6144%0.442SS*.SBendtrans-128.482.4176.1-178.393000109.5E125E125-N129 CarbonylContact O-C 3.52Å; E125-N129 WeakPolarHBondContact O-CA 3.2Å; E125-N129 WeakPolarHBondContact O-CB 3.28Å; E125-N129 PolarHBondContact O-N 2.99Å
130P73.3Confident68Low31 Ų3173.9 Ų73.920%0.20148%0.48CS..  trans-62.5144.9175.529.6-38.1000110.7I56 P76 I132I56-P130 HydrophobicContact CD1-CB 3.81Å; I56-P130 HydrophobicContact CG1-CB 3.78Å; P76-P130 HydrophobicContact CG-CG 3.83Å; P130-I132 PolarHBondContact O-N 2.9Å; P130-I132 VanDerWaalsContact O-N 3.08Å
131P64.3Low65.9Low49 Ų4976.1 Ų76.132%0.31851%0.506SS..  trans-68.7109.7173.627.6-30.3000109L22 Q50 P133L22-P131 HydrophobicContact CD1-CG 4.13Å; L22-P131 HydrophobicContact CD2-CG 4.09Å; Q50-P131 PolarHBondContact NE2-O 3.03Å; P131-P133 VanDerWaalsContact O-CD 3.27Å; P131-P133 WeakPolarHBondContact O-CD 3.14Å
132I58.3Low64Low129 Ų12973.5 Ų73.566%0.66252%0.516SS*.  trans-69117.1-173.9-51.1171.4000110P130 G134 A135P130-I132 PolarHBondContact O-N 2.9Å; P130-I132 VanDerWaalsContact O-N 3.08Å; I132-G134 PolarHBondContact O-N 3.2Å; I132-A135 HydrophobicContact CG2-CB 3.64Å
133P46.3Very low61.9Low76 Ų7673.4 Ų73.449%0.49454%0.538SS..SBendtrans-81.2111.7174.130.1-26.1000109.9S54 P131S54-P133 WeakPolarHBondContact OG-CG 3.35Å; P131-P133 VanDerWaalsContact O-CD 3.27Å; P131-P133 WeakPolarHBondContact O-CD 3.14Å
134G49.8Very low59.8Low73 Ų7380.4 Ų80.475%0.75357%0.57SS**SBendtrans89.926.4162.300000117.8I132 P136I132-G134 PolarHBondContact O-N 3.2Å; G134-P136 VanDerWaalsContact C-CD 3.5Å; G134-P136 WeakPolarHBondContact O-CD 3.44Å
135A39.5Very low57.8Low68 Ų6885.7 Ų85.756%0.56259%0.593SS**  trans-100.390175.900000114.1I132 G137I132-A135 HydrophobicContact CG2-CB 3.64Å; A135-G137 PolarHBondContact O-N 3.44Å
136P49.5Very low56.1Low135 Ų13588.2 Ų88.288%0.87761%0.609SS**  trans-8278.6164.534.8-34.1000110G134G134-P136 VanDerWaalsContact C-CD 3.5Å; G134-P136 WeakPolarHBondContact O-CD 3.44Å
137G36.6Very low54.8Low61 Ų6191.5 Ų91.563%0.62964%0.638SS**  trans-175.8106.2-18000000116.5A135 G139A135-G137 PolarHBondContact O-N 3.44Å; G137-G139 PolarHBondContact O-N 2.88Å
138S53.9Low53.3Low143 Ų14394.9 Ų94.9100%167%0.666SS**  trans-74104.3141.3179.90000106.7
139G37.4Very low51.6Low74 Ų74101.2 Ų101.276%0.76370%0.699SS**  trans-151.5113.9-176.700000111.1G137G137-G139 PolarHBondContact O-N 2.88Å
140G44.2Very low50.2Low90 Ų90100.3 Ų100.393%0.92872%0.717SS**  trans-90.9131.5172.400000110.9
141G44.9Very low48.9Very low68 Ų68102.2 Ų102.270%0.70174%0.742SS**  trans153.6126.2171.300000114.2
142S49.3Very low48.8Very low125 Ų125109.3 Ų109.387%0.87477%0.771SS**  trans4386.9154.357.90000118.7
143G44.9Very low48.7Very low80 Ų80106 Ų10683%0.82577%0.769SS**  trans-116.4101.4153.500000109.6
144H47.6Very low49.4Very low147 Ų147105.4 Ų105.468%0.68178%0.776SS**  trans-109.991.6-172170.3-77.8000110.8L146H144-L146 PolarHBondContact O-N 3.49Å
145E48.1Very low49.8Very low162 Ų162108.3 Ų108.376%0.75777%0.774SS**  trans-96.653-176.5-76.5-87.874.600112.5
146L53.6Low50.6Low142 Ų142112.6 Ų112.674%0.74378%0.782SS**  trans-96.438.8174.8-71.5-179.7000113H144H144-L146 PolarHBondContact O-N 3.49Å
147S58.8Low50.8Low115 Ų115113 Ų11380%0.80478%0.777SS**SBendtrans-144.59.6-179.9-60.40000115.3
148A53.1Low51.9Low73 Ų73116.7 Ų116.760%0.60378%0.782SS**SBendtrans-94.9-9.3-174.200000115.7
149L47.7Very low52.1Low170 Ų170116.5 Ų116.589%0.8977%0.769SS**  trans-129.696.8178.1-71.7176.4000111.4G151L149-G151 PolarHBondContact O-N 3.13Å
150G54Low53Low96 Ų96116.3 Ų116.399%0.9977%0.767SS**  trans-73.989.917200000111.8
151G45.3Very low53.5Low71 Ų71119.1 Ų119.173%0.73276%0.761SS**  trans-119.1122.5168.300000110.4L149L149-G151 PolarHBondContact O-N 3.13Å
152E61.3Low54.1Low197 Ų197123.4 Ų123.492%0.92176%0.764SS**  trans-72.7128.1175.5-177-93.9112.100109.9
153G56.4Low54.7Low61 Ų61121.4 Ų121.463%0.62975%0.75SS**  trans172.3103.5-178.900000116.8L155G153-L155 PolarHBondContact O-N 3.39Å
154G62Low55.1Low62 Ų62125.4 Ų125.464%0.63975%0.747SS**SBendtrans80.4-38.5144.600000120.3Q156 N157G154-Q156 VanDerWaalsContact C-N 3.34Å; G154-Q156 PolarHBondContact O-N 2.77Å; G154-N157 PolarHBondContact O-N 2.87Å
155L57.8Low55.6Low135 Ų135124.6 Ų124.671%0.70775%0.748SS**THydrogen-bonded Turntrans-67.5-28.9-165.6-120.4171.9000114.8G153 N157 L158G153-L155 PolarHBondContact O-N 3.39Å; L155-N157 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 3.13Å
156Q57.2Low56.1Low158 Ų158122.3 Ų122.374%0.73874%0.737SS**Hα-helixtrans-63.2-25.7-178.8-167.16062.700113.3G154 L158G154-Q156 VanDerWaalsContact C-N 3.34Å; G154-Q156 PolarHBondContact O-N 2.77Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 3.19Å
157N52.6Low56.4Low143 Ų143121.4 Ų121.477%0.76573%0.732SS**Hα-helixtrans-82.1-6.1-173.8-146107.2000113.8G154 L155G154-N157 PolarHBondContact O-N 2.87Å; L155-N157 PolarHBondContact O-N 3.35Å
158L59.4Low56.6Low139 Ų139122.5 Ų122.573%0.72873%0.727SS**Hα-helixtrans-96.5-28.8173.3-73.5170.6000112.9L155 Q156 G160L155-L158 PolarHBondContact O-N 3.13Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 3.19Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.84Å
159L58.5Low56.8Low138 Ų138126.4 Ų126.472%0.72373%0.732SS**Hα-helixtrans-75.6-17.1178.3-107.364.6000113.9
160G55.7Low57.2Low71 Ų71125.6 Ų125.673%0.73273%0.728SS**THydrogen-bonded Turntrans-83.2-8.6-174.900000116.6L158L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.84Å
161N55.8Low57.5Low149 Ų149127 Ų12780%0.79771%0.712SS**  trans-122.820.1-164.7-16035.3000115.6
162M58Low57.5Low157 Ų157126.3 Ų126.377%0.77371%0.705SS**  trans-104.5105.6171.5-153.570.4-178.200109.6
163S61.5Low57.1Low83 Ų83123.3 Ų123.358%0.5870%0.702SS**  trans-79.6143.8-170.169.90000113.4N165 Q166S163-N165 PolarHBondContact O-N 3.2Å; S163-Q166 PolarHBondContact O-N 3.11Å; S163-Q166 VanDerWaalsContact O-N 3.12Å
164H53.9Low56.8Low165 Ų165126.4 Ų126.476%0.76471%0.709SS**THydrogen-bonded Turntrans-54.9-29.9-171.7-163.5111.8000114.1Q166 L167H164-Q166 VanDerWaalsContact C-N 3.27Å; H164-Q166 PolarHBondContact O-N 3.07Å; H164-L167 PolarHBondContact O-N 3.37Å
165N57.3Low56Low129 Ų129127.5 Ų127.569%0.6972%0.72SS**Hα-helixtrans-64.2-25.5-179.3-84.3-32000114.1S163S163-N165 PolarHBondContact O-N 3.2Å
166Q58.2Low55.5Low115 Ų115129.6 Ų129.654%0.53773%0.731SS.*Hα-helixtrans-78.2-22.6-176.7-155.5665.800113.1S163 H164S163-Q166 PolarHBondContact O-N 3.11Å; S163-Q166 VanDerWaalsContact O-N 3.12Å; H164-Q166 VanDerWaalsContact C-N 3.27Å; H164-Q166 PolarHBondContact O-N 3.07Å
167L59.4Low54.9Low122 Ų122125.6 Ų125.664%0.63973%0.732SS**Hα-helixtrans-73.9-32.8175.2-79.1166.6000112.3H164 Q169 L170H164-L167 PolarHBondContact O-N 3.37Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 2.96Å; L167-L170 PolarHBondContact O-N 3.44Å
168M63.8Low54.9Low139 Ų139122.6 Ų122.669%0.68574%0.735SS**Hα-helixtrans-71.8-21.1-176.7-155.166.2-177.100113.2
169Q57.7Low54.1Low155 Ų155124.2 Ų124.272%0.72474%0.743SS**THydrogen-bonded Turntrans-79.1-15.1176.6-66-169-5.100113.8L167L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 2.96Å
170L55.4Low53.9Low153 Ų153121.8 Ų121.880%0.80175%0.751SS**THydrogen-bonded Turntrans-89.8-5176.1-157.269.1000112.9L167L167-L170 PolarHBondContact O-N 3.44Å
171I60.2Low53.3Low126 Ų126126.4 Ų126.465%0.64676%0.758SS**  trans-116.348.3-175.7-46.7178.6000109.7
172G44.7Very low52.9Low56 Ų56122.3 Ų122.358%0.57775%0.752SS**  trans-80.2123.9176.300000112.3T174G172-T174 VanDerWaalsContact C-N 3.34Å; G172-T174 PolarHBondContact O-N 3.02Å
173P54Low52.2Low133 Ų133119.8 Ų119.886%0.86476%0.756SS**  trans-86.945.9-165.935.6-38.6000115.1
174T49.7Very low51.5Low127 Ų127123.9 Ų123.978%0.77977%0.77SS**  trans-145.6100.8-17551.80000116G172G172-T174 VanDerWaalsContact C-N 3.34Å; G172-T174 PolarHBondContact O-N 3.02Å
175G45Very low51.6Low84 Ų84121.1 Ų121.187%0.86678%0.776SS**  trans78.4146.5162.600000115.8
176L47.2Very low51.3Low179 Ų179117.8 Ų117.894%0.93777%0.772SS**  cis-157.4141.519.8172.566.5000111.6
177G44.2Very low51.1Low74 Ų74117 Ų11776%0.76378%0.777SS**  trans60.892.8150.700000119
178G54.1Low50.9Low80 Ų80114.1 Ų114.183%0.82578%0.777SS**  trans-83.7145.417200000114.4
179L41.6Very low50.6Low174 Ų174115.7 Ų115.791%0.91179%0.788SS**  trans-135.286162.6-94.4173.9000109.7L181L179-L181 PolarHBondContact O-N 3.1Å; L179-L181 VanDerWaalsContact O-N 3.09Å
180G53.6Low50.5Low86 Ų86112 Ų11289%0.88778%0.784SS**  trans-78.683.517400000111.7
181L43.6Very low50.4Low168 Ų168111.4 Ų111.488%0.8878%0.781SS**PPolyproline II helixtrans-93124162.8-14576.5000108.4L179 A183L179-L181 PolarHBondContact O-N 3.1Å; L179-L181 VanDerWaalsContact O-N 3.09Å; L181-A183 PolarHBondContact O-N 2.87Å
182G48.5Very low50.3Low64 Ų64113.5 Ų113.566%0.6679%0.793SS**PPolyproline II helixtrans-60.8134.9-165.500000114.1L184G182-L184 PolarHBondContact O-N 3.36Å
183A43.6Very low50.9Low103 Ų103117.7 Ų117.785%0.85180%0.801SS**PPolyproline II helixtrans-56.8130169.400000109.9L181 A185L181-A183 PolarHBondContact O-N 2.87Å; A183-A185 PolarHBondContact O-N 3.29Å
184L46.9Very low50.7Low169 Ų169114.4 Ų114.489%0.88579%0.792SS**  trans-68.5106.1-166.8-64.3169.3000111.4G182 G186G182-L184 PolarHBondContact O-N 3.36Å; L184-G186 PolarHBondContact O-N 3.46Å
185A54.8Low51.3Low107 Ų107114.7 Ų114.788%0.88480%0.799SS**  trans-69.594.8178.600000111.5A183A183-A185 PolarHBondContact O-N 3.29Å
186G51.5Low51.6Low60 Ų60113.7 Ų113.762%0.61979%0.788SS**  trans73.6102.416500000115.5L184 G188L184-G186 PolarHBondContact O-N 3.46Å; G186-G188 PolarHBondContact O-N 2.76Å
187P53.8Low52.6Low97 Ų97108.4 Ų108.463%0.6378%0.777SS**  trans-74.367.5172.532.5-35.7000111.8L189P187-L189 PolarHBondContact O-N 2.84Å
188G55.3Low53.6Low63 Ų63110.8 Ų110.865%0.64978%0.779SS**THydrogen-bonded Turntrans-61.9119.9173.600000111.1G186 A190G186-G188 PolarHBondContact O-N 2.76Å; G188-A190 PolarHBondContact O-N 2.76Å
189L56.7Low53.6Low172 Ų172112.1 Ų112.190%0.90177%0.773SS**THydrogen-bonded Turntrans64.4-24.2175-48.9-179.3000117.2P187 N191P187-L189 PolarHBondContact O-N 2.84Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 3.27Å
190A56.4Low54.4Low78 Ų78108 Ų10865%0.64576%0.764SS**THydrogen-bonded Turntrans-71.9-11.1-175.900000115.4G188G188-A190 PolarHBondContact O-N 2.76Å
191N54Low54.7Low140 Ų140109.2 Ų109.275%0.74976%0.759SS**THydrogen-bonded Turntrans-96.75-173.9-15198.2000114.6L189L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 3.27Å
192L56.5Low55.4Low170 Ų170106.6 Ų106.689%0.8976%0.755SS**THydrogen-bonded Turntrans-114.6-18.7177.4-172.258.5000113.3
193L58.8Low55.5Low143 Ų143108 Ų10875%0.74975%0.754SS**SBendtrans-108.9105.5172.6-175.763.2000108.2
194G49.8Very low56.2Low65 Ų65109 Ų10967%0.6776%0.756SS**  trans-52.8144.2178.100000111.6G196G194-G196 VanDerWaalsContact C-N 3.3Å; G194-G196 PolarHBondContact O-N 3.16Å
195S60.5Low56.2Low133 Ų133105.7 Ų105.793%0.9375%0.747SS**SBendtrans-63.374.6-161600000115.6
196G52.8Low56.4Low62 Ų62106.3 Ų106.364%0.63974%0.744SS**  trans-106.8119171.500000110.9G194G194-G196 VanDerWaalsContact C-N 3.3Å; G194-G196 PolarHBondContact O-N 3.16Å
197G66.7Low56.7Low68 Ų68108.1 Ų108.170%0.70175%0.748SS**PPolyproline II helixtrans-68.3158.6170.300000111.9
198P65.8Low56.5Low125 Ų125115.1 Ų115.181%0.81276%0.761SS**PPolyproline II helixtrans-62.1145.9176.627.4-34.8000111.3A200P198-A200 PolarHBondContact O-N 3Å
199P55.2Low55.9Low107 Ų107117.8 Ų117.870%0.69577%0.77SS**PPolyproline II helixtrans-66.2133.9-178.227-34.5000111.5S201P199-S201 PolarHBondContact O-N 2.97Å
200A57.6Low55.5Low87 Ų87117.8 Ų117.872%0.71977%0.765SS**SBendtrans-75.439.5-177.400000114.1P198P198-A200 PolarHBondContact O-N 3Å
201S59.3Low54.5Low113 Ų113118.7 Ų118.779%0.7977%0.773SS**THydrogen-bonded Turntrans-86.2-4.1-175.5-53.90000114.2P199P199-S201 PolarHBondContact O-N 2.97Å
202S59.4Low54Low113 Ų113116.8 Ų116.879%0.7978%0.777SS**THydrogen-bonded Turntrans-103-1.7-174.7530000114.9
203S49.4Very low52.9Low92 Ų92114.6 Ų114.664%0.64377%0.771SS**  trans-101.374-178.656.90000112.5S205S203-S205 PolarHBondContact O-N 2.83Å
204S59.3Low51.9Low126 Ų126112.9 Ų112.988%0.88178%0.777SS**  trans-75.380176.958.20000112.3
205S47.7Very low51.2Low99 Ų99114.6 Ų114.669%0.69279%0.785SS**  trans-11395.3171.5-169.80000110.9S203 S207S203-S205 PolarHBondContact O-N 2.83Å; S205-S207 PolarHBondContact O-N 3Å
206S58.8Low50.1Low119 Ų119113.7 Ų113.783%0.83278%0.779SS**  trans-80.474.8-174.855.50000112.1
207S56.6Low49.2Very low99 Ų99115.7 Ų115.769%0.69278%0.783SS**SBendtrans-106.9-21.8-179-57.80000115.5S205S205-S207 PolarHBondContact O-N 3Å
208R49.6Very low47.6Very low243 Ų243118.1 Ų118.192%0.91779%0.789SS**  trans-146.3132170.6-74.8-168.1170.2164.7-2.3111.6
209S43.7Very low46.1Very low119 Ų119116.7 Ų116.783%0.83279%0.787SS**  trans-141.9106.6171.6-560000108.4
210Q47.3Very low44.9Very low172 Ų172116.7 Ų116.780%0.80480%0.796SS**  trans-150.8117.5174.8-163.5169.823.300109.9
211A36.9Very low43.7Very low97 Ų97117 Ų11780%0.80280%0.799SS**  trans-127.7127.4170.600000107.9
212A41.7Very low43Very low100 Ų100117.5 Ų117.583%0.82680%0.8SS**  trans52.8109.7175.600000118
213T34.5Very low41.6Very low125 Ų125123.4 Ų123.477%0.76781%0.805SS**  trans-131.997.2149.452.30000109.4
214A36.5Very low40.7Very low107 Ų107126.7 Ų126.788%0.88481%0.814SS**  trans-116.190.5169.500000108.7
215A37.1Very low39.3Very low100 Ų100125.7 Ų125.783%0.82681%0.807SS**  trans-157.4119.8171.600000109.3
216S35.7Very low38.6Very low115 Ų115125.9 Ų125.980%0.80481%0.808SS**  trans-80.2140.8173.7-62.30000110.7
217S34.7Very low37.3Very low104 Ų104125.8 Ų125.873%0.72780%0.803SS**SBendtrans49.9102.8158.355.40000119.2
218S33.6Very low36.1Very low118 Ų118129.5 Ų129.583%0.82581%0.81SS**  trans72.6148.1136.566.20000122
219A33.1Very low35.2Very low95 Ų95122.2 Ų122.279%0.78580%0.801SS**  trans76.894.5159.100000120.2
220A30.5Very low35.1Very low107 Ų107122.8 Ų122.888%0.88480%0.802SS**  trans73.3145.613800000121.8
221A33Very low34.2Very low94 Ų94119.5 Ų119.578%0.77781%0.805SS**  trans-97.6176.6170.300000109.4
222P43.6Very low33.9Very low124 Ų124121.3 Ų121.381%0.80581%0.806SS**  cis-133.1-175.811.442-24000115.9
223R30.5Very low33.8Very low236 Ų236121.6 Ų121.689%0.89180%0.799SS**  trans-74.9154.8170.5-56.2178.9178.2-164.2-1.4111.4
224L30.7Very low33.5Very low162 Ų162121.9 Ų121.985%0.84880%0.801SS**  trans-156.8134.8134-101.8178.2000112.4
225S29.1Very low33.7Very low104 Ų104122.1 Ų122.173%0.72779%0.794SS**  trans44.4116143.9-64.10000124.5
226S33.6Very low33.8Very low103 Ų103123.1 Ų123.172%0.7279%0.791SS**  106.2132.1113.5-158.20000122.5
227T31.6Very low33.3Very low118 Ų118122.3 Ų122.372%0.72479%0.792SS**  trans71.8121.8144.435.60000124.1
228Q32Very low33.2Very low177 Ų177122.3 Ų122.383%0.82780%0.798SS**  trans76.2101.8139.6-71.2-174.6-5.500122.8
229A29Very low33.1Very low90 Ų90122.7 Ų122.774%0.74480%0.801SS**  74.8176.4117.400000117.8
230P41.7Very low33.3Very low130 Ų130123 Ų12384%0.84480%0.803SS**  -130.7149.7-109.532.9-12.1000116.6
231A29.1Very low33.4Very low104 Ų104124 Ų12486%0.8680%0.801SS**  trans-148.8144.6164.300000112.1
232T30.6Very low33.2Very low134 Ų134123.7 Ų123.782%0.82280%0.798SS**  trans-82.5170.4168.548.10000110.2
233P39.2Very low32.5Very low106 Ų106124.4 Ų124.469%0.68880%0.801SS**  cis-144.4-171.32141.5-20000117.9
234T27.8Very low32.5Very low131 Ų131120.4 Ų120.480%0.80480%0.802SS**  trans79.3152.4156.732.80000121.1
235P42.1Very low32.5Very low113 Ų113117.7 Ų117.773%0.73480%0.804SS**  trans-99.8-169.9-168.945.9-40.4000112.1
236P39Very low32.5Very low120 Ų120117.5 Ų117.578%0.77981%0.808SS**  cis-145.3-16614.745.8-25.1000118.1
237A25.7Very low32.3Very low98 Ų98117.8 Ų117.881%0.8182%0.817SS**  trans77110156.600000119.4
238A31.9Very low32.5Very low105 Ų105116.5 Ų116.587%0.86882%0.818SS**  trans-132.7134.7156.900000108.8
239S32Very low33Very low126 Ų126113.9 Ų113.988%0.88182%0.816SS**  trans-107.4127.7-173.4-58.40000111.8
240A35.9Very low32.9Very low101 Ų101114.1 Ų114.184%0.83582%0.819SS**  trans-148.9116.7170.200000110.9
241P32.6Very low32.4Very low129 Ų129112.6 Ų112.684%0.83882%0.817SS**  trans-97179.1171.537.5-33.3000112.6
242A28.8Very low32.8Very low87 Ų87113.8 Ų113.872%0.71982%0.816SS**  trans78.773.4169.800000118.5
243T29.8Very low32.7Very low139 Ų139111.6 Ų111.685%0.85381%0.811SS**  5499.5127.355.60000119.6
244T30.8Very low33.1Very low151 Ų151112.6 Ų112.693%0.92682%0.818SS**  trans-93.5150.7145.346.20000110.1
245A29.6Very low33.1Very low106 Ų106110.5 Ų110.588%0.87681%0.814SS**  trans-124.5123.417900000111.1
246A29.7Very low32.5Very low100 Ų100114 Ų11483%0.82682%0.82SS**  trans-162.4134.1172.300000112.5
247A30.4Very low32.5Very low108 Ų108112.7 Ų112.789%0.89382%0.82SS**  trans58.2149.9157.500000121.4
248A35.1Very low33.3Very low91 Ų91113.6 Ų113.675%0.75282%0.817SS**  trans-97.6177.8171.800000110
249P41.8Very low33.2Very low122 Ų122115 Ų11579%0.79282%0.815SS**  cis-144.118014.743.3-23.5000119
250A26.6Very low33.4Very low96 Ų96115.1 Ų115.179%0.79381%0.81SS**  trans77.9113.9150.600000123.3
251A32Very low33.5Very low98 Ų98116.6 Ų116.681%0.8181%0.812SS**  trans53.6164.414500000121.5
252P38Very low33.5Very low129 Ų129115.3 Ų115.384%0.83881%0.811SS**  cis-125.4-152.9-742.8-25.5000113.6
253A27.9Very low33.5Very low87 Ų87117 Ų11772%0.71982%0.818SS**  trans-104.7-172.3175.900000111.7
254P46.8Very low33.9Very low127 Ų127117.7 Ų117.783%0.82582%0.822SS**  cis-143.2-167.34.743.6-22.8000117.4
255A29.1Very low33.8Very low88 Ų88113.9 Ų113.973%0.72781%0.813SS**  trans109.7112.4145.400000123.7
256Q30.2Very low34.1Very low186 Ų186114.1 Ų114.187%0.86981%0.808SS**  64122.7129.9-63.2-174.3-1.500125.7
257A37.4Very low34.7Very low92 Ų92114.7 Ų114.776%0.7680%0.803SS**  48.9159.1120.600000122
258P42.4Very low35.4Very low118 Ų118115.3 Ų115.377%0.76680%0.798SS**  cis-123.1-153.917.636.2-13.3000112.7
259V31.3Very low35.5Very low135 Ų135116.5 Ų116.582%0.81880%0.798SS**  cis-148.3-176.215.3-125.20000111.5
260T35.3Very low35.6Very low127 Ų127119.6 Ų119.678%0.77980%0.802SS**  trans-123.1173.7179.261.90000113.2
261P37.1Very low36.3Very low133 Ų133123.2 Ų123.286%0.86480%0.802SS**  -131.11779039.1-29.4000113.9
262A33.3Very low36.9Very low101 Ų101123.4 Ų123.484%0.83580%0.795SS**  trans-111.1156.5-158.600000116.4
263S30Very low37.6Very low122 Ų122122.7 Ų122.785%0.85378%0.783SS**  trans-135.4153.3152.761.60000109.4
264V37.9Very low38.5Very low154 Ų154124.3 Ų124.393%0.93378%0.776SS**  trans-85.5133-170176.20000111.5
265G29Very low38.9Very low72 Ų72124.5 Ų124.574%0.74277%0.769SS**  trans-154123.8172.700000112
266S36Very low40.1Very low110 Ų110124.2 Ų124.277%0.76976%0.762SS**PPolyproline II helixtrans-72.4160.1-179.1-630000113.1
267P42.1Very low41.2Very low112 Ų112119 Ų11973%0.72774%0.74SS**PPolyproline II helixtrans-64152.4179.226.8-36.6000113.1
268P44.7Very low42.1Very low122 Ų122118.5 Ų118.579%0.79272%0.724SS**PPolyproline II helixtrans-65.5132.7171.328.6-33.8000110.2
269P37.8Very low42.7Very low116 Ų116119.2 Ų119.275%0.75372%0.717SS**PPolyproline II helixtrans-76.3155.5-178.231.2-35.5000112.4Q271P269-Q271 PolarHBondContact O-N 3.31Å
270H42.1Very low43.8Very low187 Ų187116.4 Ų116.487%0.86670%0.704SS**PPolyproline II helixtrans-50.1126.6163.4-98.8-104.6000110.5
271Q41.8Very low45Very low172 Ų172114.5 Ų114.580%0.80469%0.688SS**PPolyproline II helixtrans-79.7132.4154.7-65.6-134.5-25.700108.6P269 I273P269-Q271 PolarHBondContact O-N 3.31Å; Q271-I273 PolarHBondContact O-N 2.74Å; Q271-I273 VanDerWaalsContact O-N 3.1Å
272P45.3Very low45.8Very low101 Ų101114.1 Ų114.166%0.65668%0.678SS**  trans-72.8104.3172.529.3-31.8000108.6Q274P272-Q274 PolarHBondContact O-N 2.66Å; P272-Q274 PolarHBondContact O-NE2 3.12Å; P272-Q274 VanDerWaalsContact O-NE2 3.13Å
273I52.4Low46.8Very low115 Ų115112.7 Ų112.759%0.5967%0.666SS**  trans-46.1109.8177.3-62.4157.9000108.6Q271 D277 L278Q271-I273 PolarHBondContact O-N 2.74Å; Q271-I273 VanDerWaalsContact O-N 3.1Å; I273-D277 HydrophobicContact CG2-CB 4.41Å; I273-L278 HydrophobicContact CG2-CD1 4.12Å; I273-L278 HydrophobicContact CG2-CD2 4.25Å; I273-L278 HydrophobicContact CG2-CG 3.75Å
274Q47.5Very low47.8Very low120 Ų120113.8 Ų113.856%0.56166%0.662SS**  trans-72.2151.2-175.9-65.8-69.6-85.900109.5P272 S276 D277 L278P272-Q274 PolarHBondContact O-N 2.66Å; P272-Q274 PolarHBondContact O-NE2 3.12Å; P272-Q274 VanDerWaalsContact O-NE2 3.13Å; Q274-S276 PolarHBondContact O-N 2.97Å; Q274-S276 VanDerWaalsContact O-N 3.17Å; Q274-D277 HydrophobicContact CB-CB 4.38Å; Q274-D277 WeakPolarHBondContact O-CA 3.23Å; Q274-D277 WeakPolarHBondContact O-CB 3.39Å; Q274-D277 PolarHBondContact O-N 2.76Å; Q274-L278 PolarHBondContact O-N 2.81Å; Q274-L278 VanDerWaalsContact O-N 3.08Å
275L54.4Low48.1Very low132 Ų132112 Ų11269%0.69165%0.645SS**Hα-helixtrans-58.6-28.6170.7-68.9173.1000111.7D277 Q279L275-D277 VanDerWaalsContact C-N 3.35Å; L275-Q279 VanDerWaalsContact O-CB 3.28Å; L275-Q279 WeakPolarHBondContact O-CB 3.3Å; L275-Q279 WeakPolarHBondContact O-CG 3.46Å; L275-Q279 PolarHBondContact O-N 2.85Å
276S54.2Low48.9Very low82 Ų82114.8 Ų114.857%0.57364%0.643SS**Hα-helixtrans-65.3-33.1171.3-40.20000113.5Q274 S280Q274-S276 PolarHBondContact O-N 2.97Å; Q274-S276 VanDerWaalsContact O-N 3.17Å; S276-S280 VanDerWaalsContact O-CB 3.32Å; S276-S280 WeakPolarHBondContact O-CB 3.45Å; S276-S280 PolarHBondContact O-N 3.2Å
277D53.3Low49.1Very low77 Ų77113.6 Ų113.641%0.41263%0.631SS.*Hα-helixtrans-75.1-45.6177.6-171.745.2000109.9I273 Q274 L275 Q279 S280 I281I273-D277 HydrophobicContact CG2-CB 4.41Å; Q274-D277 HydrophobicContact CB-CB 4.38Å; Q274-D277 WeakPolarHBondContact O-CA 3.23Å; Q274-D277 WeakPolarHBondContact O-CB 3.39Å; Q274-D277 PolarHBondContact O-N 2.76Å; L275-D277 VanDerWaalsContact C-N 3.35Å; D277-Q279 VanDerWaalsContact C-N 3.31Å; D277-Q279 PolarHBondContact O-N 2.74Å; D277-S280 WeakPolarHBondContact O-CB 3.32Å; D277-S280 PolarHBondContact O-N 2.83Å; D277-S280 VanDerWaalsContact O-N 3.13Å; D277-I281 WeakPolarHBondContact O-CB 3.35Å; D277-I281 VanDerWaalsContact O-CG1 3.27Å; D277-I281 WeakPolarHBondContact O-CG1 3.48Å; D277-I281 PolarHBondContact O-N 3.17Å
278L55.7Low48.7Very low81 Ų81113.1 Ų113.142%0.42463%0.628SS.*Hα-helixtrans-60.4-37.6170.4-74.7167.3000112.7I273 Q274 L282I273-L278 HydrophobicContact CG2-CD1 4.12Å; I273-L278 HydrophobicContact CG2-CD2 4.25Å; I273-L278 HydrophobicContact CG2-CG 3.75Å; Q274-L278 PolarHBondContact O-N 2.81Å; Q274-L278 VanDerWaalsContact O-N 3.08Å; L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.36Å; L278-L282 WeakPolarHBondContact O-CD1 3.05Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 3.42Å
279Q55.2Low48.4Very low132 Ų132112.4 Ų112.462%0.61763%0.632SS**Hα-helixtrans-69.4-36173.6-77.4173.43.400112.4L275 D277 A283L275-Q279 VanDerWaalsContact O-CB 3.28Å; L275-Q279 WeakPolarHBondContact O-CB 3.3Å; L275-Q279 WeakPolarHBondContact O-CG 3.46Å; L275-Q279 PolarHBondContact O-N 2.85Å; D277-Q279 VanDerWaalsContact C-N 3.31Å; D277-Q279 PolarHBondContact O-N 2.74Å; Q279-A283 WeakPolarHBondContact O-CB 3.27Å; Q279-A283 PolarHBondContact O-N 2.91Å
280S53.9Low48.2Very low77 Ų77110.9 Ų110.954%0.53863%0.629SS.*Hα-helixtrans-67.1-43.8173.8-166.20000111.3S276 D277 A283 N284S276-S280 VanDerWaalsContact O-CB 3.32Å; S276-S280 WeakPolarHBondContact O-CB 3.45Å; S276-S280 PolarHBondContact O-N 3.2Å; D277-S280 WeakPolarHBondContact O-CB 3.32Å; D277-S280 PolarHBondContact O-N 2.83Å; D277-S280 VanDerWaalsContact O-N 3.13Å; S280-A283 PolarHBondContact O-N 2.79Å; S280-N284 VanDerWaalsContact O-CB 3.27Å; S280-N284 WeakPolarHBondContact O-CB 3.07Å; S280-N284 PolarHBondContact O-N 2.86Å
281I60.6Low47.8Very low87 Ų87105.3 Ų105.345%0.44662%0.616SS.*Hα-helixtrans-62.9-45.1174.8-68.3163.4000110.6D277 N284 M285D277-I281 WeakPolarHBondContact O-CB 3.35Å; D277-I281 VanDerWaalsContact O-CG1 3.27Å; D277-I281 WeakPolarHBondContact O-CG1 3.48Å; D277-I281 PolarHBondContact O-N 3.17Å; I281-N284 CarbonylContact O-C 3.53Å; I281-N284 PolarHBondContact O-N 3.38Å; I281-M285 HydrophobicContact CG2-CG 4.48Å; I281-M285 WeakPolarHBondContact O-CB 3.24Å; I281-M285 VanDerWaalsContact O-CG 3.25Å; I281-M285 WeakPolarHBondContact O-CG 3.41Å; I281-M285 PolarHBondContact O-N 2.78Å
282L54.7Low47.6Very low124 Ų124102.3 Ų102.365%0.64962%0.62SS**Hα-helixtrans-66.6-39.1176.4-78.5165.3000112.7L278 M285 N286L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.36Å; L278-L282 WeakPolarHBondContact O-CD1 3.05Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 3.42Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 VanDerWaalsContact O-C 3.26Å; L282-M285 PolarHBondContact O-N 2.8Å; L282-N286 PolarHBondContact O-N 3.41Å; L282-N286 VanDerWaalsContact O-N 3.09Å
283A55Low47.1Very low71 Ų71102 Ų10259%0.58763%0.626SS**Hα-helixtrans-66.9-38.5175.100000112Q279 S280 M285 N286Q279-A283 WeakPolarHBondContact O-CB 3.27Å; Q279-A283 PolarHBondContact O-N 2.91Å; S280-A283 PolarHBondContact O-N 2.79Å; A283-M285 VanDerWaalsContact C-N 3.29Å; A283-N286 VanDerWaalsContact O-CB 3.31Å; A283-N286 WeakPolarHBondContact O-CB 3.19Å; A283-N286 PolarHBondContact O-N 2.84Å
284N49.3Very low46.3Very low146 Ų146100.9 Ų100.978%0.78164%0.635SS**Hα-helixtrans-77.9-15.2174.3-160.591.2000112.7S280 I281S280-N284 VanDerWaalsContact O-CB 3.27Å; S280-N284 WeakPolarHBondContact O-CB 3.07Å; S280-N284 PolarHBondContact O-N 2.86Å; I281-N284 CarbonylContact O-C 3.53Å; I281-N284 PolarHBondContact O-N 3.38Å
285M45.1Very low45.6Very low115 Ų115103.2 Ų103.257%0.56765%0.645SS**THydrogen-bonded Turntrans-95.215.2167.4-75.5-85.6-7400112.7I281 L282 A283 V287I281-M285 HydrophobicContact CG2-CG 4.48Å; I281-M285 WeakPolarHBondContact O-CB 3.24Å; I281-M285 VanDerWaalsContact O-CG 3.25Å; I281-M285 WeakPolarHBondContact O-CG 3.41Å; I281-M285 PolarHBondContact O-N 2.78Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 VanDerWaalsContact O-C 3.26Å; L282-M285 PolarHBondContact O-N 2.8Å; A283-M285 VanDerWaalsContact C-N 3.29Å; M285-V287 PolarHBondContact O-N 2.81Å; M285-V287 HydrophobicContact SD-CG2 4.46Å
286N46.9Very low44.8Very low132 Ų132100.5 Ų100.571%0.70665%0.649SS**  trans-71.675.3160.6-177.689000108.7L282 A283 P288L282-N286 PolarHBondContact O-N 3.41Å; L282-N286 VanDerWaalsContact O-N 3.09Å; A283-N286 VanDerWaalsContact O-CB 3.31Å; A283-N286 WeakPolarHBondContact O-CB 3.19Å; A283-N286 PolarHBondContact O-N 2.84Å; N286-P288 WeakPolarHBondContact O-CD 3.33Å
287V39.7Very low44.1Very low84 Ų84102.2 Ų102.251%0.50966%0.661SS.*  trans-73.1110.4-171.5173.60000110.6M285 A291M285-V287 PolarHBondContact O-N 2.81Å; M285-V287 HydrophobicContact SD-CG2 4.46Å; V287-A291 HydrophobicContact CG1-CB 4.26Å
288P33.3Very low43.4Very low103 Ų103102.1 Ų102.167%0.66967%0.671SS**  trans-61.9136.9153.329.6-34000107.7N286 A290N286-P288 WeakPolarHBondContact O-CD 3.33Å; P288-A290 PolarHBondContact O-N 3.13Å
289A38Very low43.1Very low106 Ų106100.4 Ų100.488%0.87666%0.664SS**THydrogen-bonded Turntrans-69.732.5-163.600000116.8
290A34.6Very low42.8Very low84 Ų8497.3 Ų97.369%0.69465%0.652SS**THydrogen-bonded Turntrans-102.2-11.5-177.500000114.4P288 A292P288-A290 PolarHBondContact O-N 3.13Å; A290-A292 VanDerWaalsContact C-N 3.28Å; A290-A292 PolarHBondContact O-N 3.37Å
291A33.7Very low42.8Very low71 Ų7194 Ų9459%0.58763%0.628SS**  trans-75.4-7.7-175.700000115V287 A293V287-A291 HydrophobicContact CG1-CB 4.26Å; A291-A293 PolarHBondContact O-N 2.85Å
292A35.8Very low42.6Very low108 Ų10891.5 Ų91.589%0.89362%0.62SS**THydrogen-bonded Turntrans-71.824.3-176.800000115.1A290A290-A292 VanDerWaalsContact C-N 3.28Å; A290-A292 PolarHBondContact O-N 3.37Å
293A34.8Very low42.5Very low95 Ų9590 Ų9079%0.78562%0.62SS**THydrogen-bonded Turntrans-110.1-4.1-177.900000113.9A291A291-A293 PolarHBondContact O-N 2.85Å
294A37Very low42.5Very low92 Ų9289 Ų8976%0.7661%0.607SS**SBendtrans-119.421.2-166.300000115.6
295Q33.2Very low42.6Very low169 Ų16984.3 Ų84.379%0.7959%0.585SS**  trans-148.5107.3167-111.2167-3.300110.8
296G37.2Very low42.9Very low75 Ų7581.5 Ų81.577%0.77357%0.574SS**SBendtrans-81.3148.9165.900000110.5
297S39.1Very low43Very low117 Ų11778.8 Ų78.882%0.81856%0.564SS**  trans70.124.5175.8-154.20000117.4V299S297-V299 PolarHBondContact O-N 3.08Å
298A39Very low43.6Very low76 Ų7682.2 Ų82.263%0.62857%0.574SS**  trans-74.9107.7150.200000108.3D300A298-D300 PolarHBondContact O-N 3.17Å; A298-D300 VanDerWaalsContact O-N 3.14Å
299V49Very low44.3Very low44 Ų4479.5 Ų79.527%0.26755%0.553SS.*  trans-74.6100.1169.9175.80000107.3S297 L301 V304 E388S297-V299 PolarHBondContact O-N 3.08Å; V299-L301 PolarHBondContact O-N 2.89Å; V299-L301 VanDerWaalsContact O-N 3.11Å; V299-V304 HydrophobicContact CG1-CG2 4.14Å; V299-E388 HydrophobicContact CB-CG 4.46Å; V299-E388 HydrophobicContact CG2-CG 3.8Å
300D49.7Very low44.9Very low68 Ų6876.3 Ų76.336%0.36452%0.521SS..  trans-66.5111-175.8-179.535.8000110.8A298 A302 S303 S354A298-D300 PolarHBondContact O-N 3.17Å; A298-D300 VanDerWaalsContact O-N 3.14Å; D300-A302 PolarHBondContact O-N 2.99Å; D300-A302 VanDerWaalsContact O-N 3.13Å; D300-S303 WeakPolarHBondContact O-CB 3.44Å; D300-S303 PolarHBondContact O-N 2.9Å; D300-S354 PolarHBondContact OD1-OG 2.88Å
301L54.1Low45.7Very low6 Ų673.8 Ų73.83%0.03150%0.5CS..G310 helixtrans-59.7-24.4-178-71173.7000112.7V299 S303 V304 C305 M353 F356 L360 V387 A391V299-L301 PolarHBondContact O-N 2.89Å; V299-L301 VanDerWaalsContact O-N 3.11Å; L301-S303 PolarHBondContact O-N 2.94Å; L301-V304 PolarHBondContact O-N 2.87Å; L301-C305 WeakPolarHBondContact O-CB 3.38Å; L301-C305 PolarHBondContact O-N 3.24Å; L301-M353 HydrophobicContact CB-CG 3.92Å; L301-M353 HydrophobicContact CB-SD 3.74Å; L301-M353 HydrophobicContact CD1-SD 4.27Å; L301-F356 HydrophobicContact CD1-CD1 4.24Å; L301-L360 HydrophobicContact CD1-CD2 4.13Å; L301-V387 HydrophobicContact CD1-CG1 4.2Å; L301-V387 HydrophobicContact CD2-CG1 3.75Å; L301-V387 HydrophobicContact CG-CG1 3.93Å; L301-A391 HydrophobicContact CD2-CB 4.37Å
302A55Low46.5Very low35 Ų3573.8 Ų73.829%0.28949%0.494SS..G310 helixtrans-64.3-21.3172.900000113.3D300 Q350 M353D300-A302 PolarHBondContact O-N 2.99Å; D300-A302 VanDerWaalsContact O-N 3.13Å; A302-Q350 HydrophobicContact CB-CG 4.32Å; A302-M353 HydrophobicContact CB-CG 4.19Å
303S52.9Low47.4Very low93 Ų9371.7 Ų71.765%0.6547%0.467SS*.G310 helixtrans-87.5-8.3172.6-170.80000114.1D300 L301D300-S303 WeakPolarHBondContact O-CB 3.44Å; D300-S303 PolarHBondContact O-N 2.9Å; L301-S303 PolarHBondContact O-N 2.94Å
304V54.1Low48.2Very low50 Ų5067.7 Ų67.730%0.30343%0.432SS..THydrogen-bonded Turntrans-114.3-35.6-176.6-173.10000111.6V299 L301 T306 A391V299-V304 HydrophobicContact CG1-CG2 4.14Å; L301-V304 PolarHBondContact O-N 2.87Å; V304-T306 PolarHBondContact O-N 2.84Å; V304-A391 HydrophobicContact CG1-CB 4.32Å
305C52Low49Very low48 Ų4868.1 Ų68.132%0.32443%0.426SS..  trans-74.868.5169.7-74.50000111.5L301 M310L301-C305 WeakPolarHBondContact O-CB 3.38Å; L301-C305 PolarHBondContact O-N 3.24Å; C305-M310 HydrophobicContact CB-CG 4.3Å; C305-M310 HydrophobicContact CB-SD 4.25Å
306T52.2Low50Low56 Ų5663.3 Ų63.334%0.34441%0.405SS..  trans-59.7153.5169.764.50000110.8V304 E308 M309 M310V304-T306 PolarHBondContact O-N 2.84Å; T306-E308 PolarHBondContact O-N 2.99Å; T306-M309 WeakPolarHBondContact O-CA 3.18Å; T306-M309 VanDerWaalsContact O-CB 3.31Å; T306-M309 WeakPolarHBondContact O-CB 3.32Å; T306-M309 PolarHBondContact O-N 3.29Å; T306-M309 PolarHBondContact OG1-N 3.48Å; T306-M310 PolarHBondContact O-N 2.9Å; T306-M310 VanDerWaalsContact O-N 3.15Å
307P49Very low50.7Low75 Ų7563.5 Ų63.549%0.48739%0.393SS..Hα-helixtrans-59.3-32.2176.822.4-33.2000112.3M309 M310 A311P307-M309 VanDerWaalsContact C-N 3.29Å; P307-M309 PolarHBondContact O-N 2.71Å; P307-M310 PolarHBondContact O-N 3.31Å; P307-A311 WeakPolarHBondContact O-CB 3.31Å; P307-A311 PolarHBondContact O-N 3.43Å
308E50.9Low51.1Low155 Ų15564.6 Ų64.672%0.72439%0.385SS*.Hα-helixtrans-65.6-30.2172.9-59.1168.1129.900112.6T306 K398T306-E308 PolarHBondContact O-N 2.99Å; E308-K398 PolarHBondContact O-NZ 3.28Å
309M49.9Very low51.6Low47 Ų4763 Ų6323%0.23237%0.368CS..Hα-helixtrans-69-47171.8-97.6-56.7-163.400111.7T306 P307 Q395 K398T306-M309 WeakPolarHBondContact O-CA 3.18Å; T306-M309 VanDerWaalsContact O-CB 3.31Å; T306-M309 WeakPolarHBondContact O-CB 3.32Å; T306-M309 PolarHBondContact O-N 3.29Å; T306-M309 PolarHBondContact OG1-N 3.48Å; P307-M309 VanDerWaalsContact C-N 3.29Å; P307-M309 PolarHBondContact O-N 2.71Å; M309-Q395 HydrophobicContact CE-CB 3.75Å; M309-Q395 HydrophobicContact CE-CG 3.47Å; M309-Q395 VanDerWaalsContact CE-CG 3.47Å; M309-K398 HydrophobicContact CE-CD 4.32Å; M309-K398 PolarHBondContact O-NZ 2.78Å; M309-K398 HydrophobicContact SD-CD 3.48Å; M309-K398 WeakPolarHBondContact SD-CD 2.98Å
310M50.6Low51.7Low39 Ų3964 Ų6419%0.19237%0.369CS..Hα-helixtrans-82.5-23-175-63.2-148.972.300114.9C305 T306 P307 P312 I313 L314C305-M310 HydrophobicContact CB-CG 4.3Å; C305-M310 HydrophobicContact CB-SD 4.25Å; T306-M310 PolarHBondContact O-N 2.9Å; T306-M310 VanDerWaalsContact O-N 3.15Å; P307-M310 PolarHBondContact O-N 3.31Å; M310-P312 VanDerWaalsContact O-N 3.14Å; M310-I313 WeakPolarHBondContact O-CA 3.18Å; M310-I313 WeakPolarHBondContact O-CB 3.28Å; M310-I313 PolarHBondContact O-N 2.85Å; M310-L314 HydrophobicContact CB-CD1 3.84Å; M310-L314 HydrophobicContact CB-CG 4.14Å; M310-L314 WeakPolarHBondContact O-CG 3.09Å; M310-L314 PolarHBondContact O-N 2.96Å
311A50.5Low51.8Low31 Ų3167 Ų6726%0.25638%0.381SS..Hα-helixtrans-41.5-50.8-177.500000115.8P307 I313 L314 T315P307-A311 WeakPolarHBondContact O-CB 3.31Å; P307-A311 PolarHBondContact O-N 3.43Å; A311-I313 PolarHBondContact O-N 3.38Å; A311-L314 PolarHBondContact O-N 2.65Å; A311-T315 PolarHBondContact O-N 3.44Å; A311-T315 PolarHBondContact O-OG1 2.94Å
312P50.8Low51.8Low70 Ų7074 Ų7446%0.45541%0.407SS..Hα-helixtrans-70.9-26.8178.227.6-34.8000114.2M310 T315M310-P312 VanDerWaalsContact O-N 3.14Å; P312-T315 PolarHBondContact O-N 3.27Å
313I53.5Low51.6Low65 Ų6575.9 Ų75.933%0.33341%0.412SS..Hα-helixtrans-71.9-39.6175.2-62.4177.8000110M310 A311 T315 N316 V319 M394M310-I313 WeakPolarHBondContact O-CA 3.18Å; M310-I313 WeakPolarHBondContact O-CB 3.28Å; M310-I313 PolarHBondContact O-N 2.85Å; A311-I313 PolarHBondContact O-N 3.38Å; I313-T315 PolarHBondContact O-N 3.12Å; I313-N316 WeakPolarHBondContact O-CB 3.28Å; I313-N316 PolarHBondContact O-N 2.86Å; I313-V319 HydrophobicContact CG2-CG1 4.11Å; I313-V319 HydrophobicContact CG2-CG2 4.33Å; I313-M394 HydrophobicContact CD1-CE 4.19Å
314L51.9Low51.5Low11 Ų1175.4 Ų75.46%0.05840%0.401CS..Hα-helixtrans-73.2-16.6175.9-55.5166.1000112.8M310 A311 N316 L323 I340 L344M310-L314 HydrophobicContact CB-CD1 3.84Å; M310-L314 HydrophobicContact CB-CG 4.14Å; M310-L314 WeakPolarHBondContact O-CG 3.09Å; M310-L314 PolarHBondContact O-N 2.96Å; A311-L314 PolarHBondContact O-N 2.65Å; L314-N316 VanDerWaalsContact C-N 3.29Å; L314-L323 HydrophobicContact CD2-CD1 4.46Å; L314-I340 HydrophobicContact CD1-CG2 4.22Å; L314-I340 HydrophobicContact CD2-CG2 3.92Å; L314-I340 HydrophobicContact CG-CG2 4.48Å; L314-L344 HydrophobicContact CD1-CD1 3.32Å; L314-L344 HydrophobicContact CD2-CD1 4.05Å; L314-L344 HydrophobicContact CG-CD1 4.29Å
315T54.7Low51.8Low101 Ų10177.5 Ų77.562%0.6242%0.416SS*.THydrogen-bonded Turntrans-80.7-11.1172.5-53.50000111.8A311 P312 I313A311-T315 PolarHBondContact O-N 3.44Å; A311-T315 PolarHBondContact O-OG1 2.94Å; P312-T315 PolarHBondContact O-N 3.27Å; I313-T315 PolarHBondContact O-N 3.12Å
316N54.3Low51.6Low68 Ų6883.6 Ų83.636%0.36444%0.437SS..  trans-85.2117.8-179.5-172.6-23.9000111.2I313 L314 E318 V319 Q320I313-N316 WeakPolarHBondContact O-CB 3.28Å; I313-N316 PolarHBondContact O-N 2.86Å; L314-N316 VanDerWaalsContact C-N 3.29Å; N316-E318 VanDerWaalsContact C-N 3.26Å; N316-E318 PolarHBondContact O-N 2.89Å; N316-E318 WeakPolarHBondContact OD1-CB 3.25Å; N316-E318 PolarHBondContact OD1-N 3.14Å; N316-E318 VanDerWaalsContact OD1-N 3.09Å; N316-V319 HydrophobicContact CB-CB 4.44Å; N316-V319 HydrophobicContact CB-CG2 4.05Å; N316-V319 PolarHBondContact O-N 3.31Å; N316-V319 VanDerWaalsContact O-N 3.14Å; N316-Q320 PolarHBondContact O-N 2.69Å; N316-Q320 VanDerWaalsContact O-N 3.16Å
317P52Low51.6Low78 Ų7884.3 Ų84.351%0.50644%0.439SS..Hα-helixtrans-64.7-26.6-175.926.7-35.8000113.8V319 Q320 Q321P317-V319 VanDerWaalsContact C-N 3.35Å; P317-Q320 PolarHBondContact O-N 2.83Å; P317-Q321 WeakPolarHBondContact O-CG 3.42Å; P317-Q321 PolarHBondContact O-N 2.96Å
318E46.5Very low51.5Low140 Ų14086.4 Ų86.465%0.65445%0.453SS*.Hα-helixtrans-63.2-43.2175.4-65.1-91.4102.500110.8N316 R322N316-E318 VanDerWaalsContact C-N 3.26Å; N316-E318 PolarHBondContact O-N 2.89Å; N316-E318 WeakPolarHBondContact OD1-CB 3.25Å; N316-E318 PolarHBondContact OD1-N 3.14Å; N316-E318 VanDerWaalsContact OD1-N 3.09Å; E318-R322 WeakPolarHBondContact O-CG 3.35Å; E318-R322 PolarHBondContact O-N 2.89Å; E318-R322 VanDerWaalsContact O-N 3.1Å
319V49.9Very low50.8Low44 Ų4485.2 Ų85.227%0.26746%0.461SS..Hα-helixtrans-71.2-39.6179.9-177.40000110.3I313 N316 P317 Q321 R322 L323I313-V319 HydrophobicContact CG2-CG1 4.11Å; I313-V319 HydrophobicContact CG2-CG2 4.33Å; N316-V319 HydrophobicContact CB-CB 4.44Å; N316-V319 HydrophobicContact CB-CG2 4.05Å; N316-V319 PolarHBondContact O-N 3.31Å; N316-V319 VanDerWaalsContact O-N 3.14Å; P317-V319 VanDerWaalsContact C-N 3.35Å; V319-Q321 PolarHBondContact O-N 2.95Å; V319-R322 CarbonylContact O-C 3.54Å; V319-R322 PolarHBondContact O-N 2.83Å; V319-R322 VanDerWaalsContact O-N 3.15Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.33Å; V319-L323 WeakPolarHBondContact O-CG 3.32Å; V319-L323 PolarHBondContact O-N 2.95Å
320Q51.2Low50.2Low64 Ų6486 Ų8630%0.29948%0.481SS..Hα-helixtrans-62.1-43176.5-160.4174.711.600111.7N316 P317 R322 L323 L324N316-Q320 PolarHBondContact O-N 2.69Å; N316-Q320 VanDerWaalsContact O-N 3.16Å; P317-Q320 PolarHBondContact O-N 2.83Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; Q320-R322 PolarHBondContact O-N 3.25Å; Q320-L323 PolarHBondContact O-N 3.09Å; Q320-L324 PolarHBondContact O-N 3.24Å
321Q52.4Low49.5Very low132 Ų13293.6 Ų93.662%0.61752%0.516SS*.Hα-helixtrans-64.5-31.7173-73.8-179.153.700113.4P317 V319 P325P317-Q321 WeakPolarHBondContact O-CG 3.42Å; P317-Q321 PolarHBondContact O-N 2.96Å; V319-Q321 PolarHBondContact O-N 2.95Å; Q321-P325 VanDerWaalsContact O-CD 3.24Å; Q321-P325 WeakPolarHBondContact O-CD 3.37Å
322R52.5Low48.8Very low151 Ų15197.2 Ų97.257%0.5754%0.54SS*.Hα-helixtrans-78.2-26.5174.5-72.3-61.6-164.9109.45.8114E318 V319 Q320 P325 F326E318-R322 WeakPolarHBondContact O-CG 3.35Å; E318-R322 PolarHBondContact O-N 2.89Å; E318-R322 VanDerWaalsContact O-N 3.1Å; V319-R322 CarbonylContact O-C 3.54Å; V319-R322 PolarHBondContact O-N 2.83Å; V319-R322 VanDerWaalsContact O-N 3.15Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; Q320-R322 PolarHBondContact O-N 3.25Å; R322-P325 WeakPolarHBondContact O-CD 3.17Å; R322-F326 WeakPolarHBondContact O-CD2 3.15Å
323L51.4Low48.2Very low76 Ų76101.2 Ų101.240%0.39856%0.557SS.*Hα-helixtrans-80.2-36.8176.1-74.4168.6000112.7L314 V319 Q320 P325 F326 L327L314-L323 HydrophobicContact CD2-CD1 4.46Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.33Å; V319-L323 WeakPolarHBondContact O-CG 3.32Å; V319-L323 PolarHBondContact O-N 2.95Å; Q320-L323 PolarHBondContact O-N 3.09Å; L323-P325 VanDerWaalsContact C-CD 3.48Å; L323-F326 PolarHBondContact O-N 2.87Å; L323-L327 PolarHBondContact O-N 3.4Å
324L51.8Low47.4Very low82 Ų82105.2 Ų105.243%0.42958%0.578SS.*THydrogen-bonded Turntrans-42.7-46.5178.7-97.6162000115.7Q320Q320-L324 PolarHBondContact O-N 3.24Å
325P59.8Low47.1Very low94 Ų94108.7 Ų108.761%0.6159%0.594SS**THydrogen-bonded Turntrans-80.3-7.9179.731-37.1000115.6Q321 R322 L323Q321-P325 VanDerWaalsContact O-CD 3.24Å; Q321-P325 WeakPolarHBondContact O-CD 3.37Å; R322-P325 WeakPolarHBondContact O-CD 3.17Å; L323-P325 VanDerWaalsContact C-CD 3.48Å
326F47.8Very low46.9Very low176 Ų176106.6 Ų106.677%0.77258%0.583SS**THydrogen-bonded Turntrans-107-9.9179.6-67.7-75.4000113.9R322 L323R322-F326 WeakPolarHBondContact O-CD2 3.15Å; L323-F326 PolarHBondContact O-N 2.87Å
327L52.4Low46.8Very low72 Ų72106.7 Ų106.738%0.37759%0.587SS.*SBendtrans-76.5138.5168.5-67.4171.8000109.7L323 S329L323-L327 PolarHBondContact O-N 3.4Å; L327-S329 PolarHBondContact O-N 2.9Å
328P45.5Very low46.9Very low119 Ų119109.9 Ų109.977%0.77359%0.594SS**  trans-59.8128.4175.926.2-33.7000109.1G330P328-G330 PolarHBondContact O-N 2.84Å
329S37.3Very low47.5Very low130 Ų130108 Ų10891%0.90959%0.586SS**  trans-77.455.4-165.1-42.90000114L327L327-S329 PolarHBondContact O-N 2.9Å
330G36.8Very low47.9Very low63 Ų63107.3 Ų107.365%0.64958%0.58SS**  trans-98.1121.7170.900000111.2P328P328-G330 PolarHBondContact O-N 2.84Å
331E36.2Very low48.2Very low198 Ų198107.9 Ų107.993%0.92558%0.583SS**SBendtrans59.7123.8175.1-103.4159.4118.800118.7
332S36.8Very low48.5Very low107 Ų107107 Ų10775%0.74858%0.582SS**  trans-96.3165.2-169.4-55.80000113.5
333L36.4Very low49.1Very low155 Ų155103 Ų10381%0.81258%0.575SS**SBendtrans93.1-11.9137.7-102.2168.7000122.2
334L38.4Very low49.5Very low149 Ų149101 Ų10178%0.7856%0.564SS**  trans-137.634.5173-75.9-179.4000115S336L334-S336 PolarHBondContact O-N 3.38Å; L334-S336 PolarHBondContact O-OG 2.82Å
335Q44.1Very low49.9Very low84 Ų84102.7 Ų102.739%0.39357%0.574SS.*  trans-4693.2-177.8-69.4-178.5-23.300113.9E339Q335-E339 WeakPolarHBondContact CA-OE2 3.4Å
336S50.7Low50.4Low57 Ų57100.1 Ų100.140%0.39956%0.558SS.*  trans-89.8149.9-178.2-63.90000110.3L334 E338 E339 I340L334-S336 PolarHBondContact O-N 3.38Å; L334-S336 PolarHBondContact O-OG 2.82Å; S336-E338 PolarHBondContact O-N 2.94Å; S336-E339 PolarHBondContact N-OE2 2.86Å; S336-E339 WeakPolarHBondContact O-CB 3Å; S336-E339 PolarHBondContact O-N 3.27Å; S336-I340 PolarHBondContact O-N 2.87Å; S336-I340 VanDerWaalsContact O-N 3.11Å
337T52.3Low50.7Low70 Ų7095.7 Ų95.743%0.42955%0.547SS..Hα-helixtrans-52.2-31.7179.3-50.30000112.4Q341T337-Q341 WeakPolarHBondContact O-CG 3.45Å; T337-Q341 PolarHBondContact O-N 3.13Å
338E55.3Low50.9Low144 Ų14499 Ų9967%0.67356%0.561SS**Hα-helixtrans-71.1-36.7177.5-57.1179.2135.800112.9S336 Q341 N342S336-E338 PolarHBondContact O-N 2.94Å; E338-Q341 PolarHBondContact O-N 2.98Å; E338-N342 WeakPolarHBondContact O-CB 3.44Å; E338-N342 VanDerWaalsContact O-CG 3.31Å; E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 PolarHBondContact O-ND2 2.83Å; E338-N342 VanDerWaalsContact O-ND2 3.16Å
339E57.8Low51.7Low100 Ų10096.1 Ų96.147%0.46754%0.536SS..Hα-helixtrans-71.2-36.5174.6-62178.212100111.3Q335 S336 N342 T343Q335-E339 WeakPolarHBondContact CA-OE2 3.4Å; S336-E339 PolarHBondContact N-OE2 2.86Å; S336-E339 WeakPolarHBondContact O-CB 3Å; S336-E339 PolarHBondContact O-N 3.27Å; E339-N342 PolarHBondContact O-N 3.19Å; E339-T343 WeakPolarHBondContact O-CB 3.48Å; E339-T343 PolarHBondContact O-N 3.22Å; E339-T343 PolarHBondContact O-OG1 3.15Å
340I59.7Low53.1Low31 Ų3193.5 Ų93.516%0.15951%0.51CS..Hα-helixtrans-63.6-44.7171.7-60.5173.6000109.4L314 S336 N342 T343 L344L314-I340 HydrophobicContact CD1-CG2 4.22Å; L314-I340 HydrophobicContact CD2-CG2 3.92Å; L314-I340 HydrophobicContact CG-CG2 4.48Å; S336-I340 PolarHBondContact O-N 2.87Å; S336-I340 VanDerWaalsContact O-N 3.11Å; I340-N342 PolarHBondContact O-N 3.33Å; I340-T343 WeakPolarHBondContact O-CB 3.08Å; I340-T343 PolarHBondContact O-N 3.29Å; I340-L344 HydrophobicContact CG2-CD1 4.08Å; I340-L344 HydrophobicContact CG2-CG 4.48Å; I340-L344 VanDerWaalsContact O-CG 3.22Å; I340-L344 WeakPolarHBondContact O-CG 3.43Å; I340-L344 PolarHBondContact O-N 2.8Å
341Q57.8Low54.2Low75 Ų7596.6 Ų96.635%0.3551%0.507SS..Hα-helixtrans-61.4-42173.7-74.9176.430.700113T337 E338 T343 L344 N345T337-Q341 WeakPolarHBondContact O-CG 3.45Å; T337-Q341 PolarHBondContact O-N 3.13Å; E338-Q341 PolarHBondContact O-N 2.98Å; Q341-T343 VanDerWaalsContact C-N 3.31Å; Q341-T343 PolarHBondContact O-N 3.42Å; Q341-L344 PolarHBondContact O-N 3.4Å; Q341-N345 WeakPolarHBondContact O-CB 3.39Å; Q341-N345 PolarHBondContact O-N 3.19Å
342N57.4Low55.2Low113 Ų11390.2 Ų90.260%0.60448%0.484SS*.Hα-helixtrans-64-35.9174.3-74.2-37000112.2E338 E339 I340 N345 S346E338-N342 WeakPolarHBondContact O-CB 3.44Å; E338-N342 VanDerWaalsContact O-CG 3.31Å; E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 PolarHBondContact O-ND2 2.83Å; E338-N342 VanDerWaalsContact O-ND2 3.16Å; E339-N342 PolarHBondContact O-N 3.19Å; I340-N342 PolarHBondContact O-N 3.33Å; N342-N345 CarbonylContact O-C 3.44Å; N342-N345 PolarHBondContact O-N 2.7Å; N342-S346 PolarHBondContact O-N 2.94Å; N342-S346 VanDerWaalsContact O-N 3.11Å
343T65.3Low56.5Low69 Ų6986.1 Ų86.142%0.42345%0.454SS..Hα-helixtrans-68.7-39.6174.6-55.80000111.5E339 I340 Q341 N345 S346 F349E339-T343 WeakPolarHBondContact O-CB 3.48Å; E339-T343 PolarHBondContact O-N 3.22Å; E339-T343 PolarHBondContact O-OG1 3.15Å; I340-T343 WeakPolarHBondContact O-CB 3.08Å; I340-T343 PolarHBondContact O-N 3.29Å; Q341-T343 VanDerWaalsContact C-N 3.31Å; Q341-T343 PolarHBondContact O-N 3.42Å; T343-N345 VanDerWaalsContact C-N 3.28Å; T343-N345 PolarHBondContact O-N 3.24Å; T343-S346 WeakPolarHBondContact O-CB 3.48Å; T343-S346 PolarHBondContact O-N 2.71Å; T343-S346 VanDerWaalsContact O-N 3.07Å; T343-F349 VanDerWaalsContact O-CB 3.22Å; T343-F349 WeakPolarHBondContact O-CB 3.48Å
344L60.1Low57.7Low32 Ų3281.1 Ų81.117%0.16843%0.432CS..Hα-helixtrans-66.8-30.6174.1-66.4165.9000112.4L314 I340 Q341 S346 F349L314-L344 HydrophobicContact CD1-CD1 3.32Å; L314-L344 HydrophobicContact CD2-CD1 4.05Å; L314-L344 HydrophobicContact CG-CD1 4.29Å; I340-L344 HydrophobicContact CG2-CD1 4.08Å; I340-L344 HydrophobicContact CG2-CG 4.48Å; I340-L344 VanDerWaalsContact O-CG 3.22Å; I340-L344 WeakPolarHBondContact O-CG 3.43Å; I340-L344 PolarHBondContact O-N 2.8Å; Q341-L344 PolarHBondContact O-N 3.4Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-F349 HydrophobicContact CB-CD1 4.3Å; L344-F349 HydrophobicContact CB-CE1 4.45Å; L344-F349 HydrophobicContact CD2-CD1 3.82Å; L344-F349 HydrophobicContact CD2-CD2 3.96Å; L344-F349 HydrophobicContact CD2-CE1 3.39Å; L344-F349 HydrophobicContact CD2-CE2 3.55Å; L344-F349 HydrophobicContact CD2-CG 4.09Å; L344-F349 HydrophobicContact CD2-CZ 3.24Å; L344-F349 WeakPolarHBondContact O-CD1 3.5Å
345N60.3Low59Low118 Ų11879.4 Ų79.463%0.63142%0.421SS*.THydrogen-bonded Turntrans-83-1.3173.4-154.110.8000112.9Q341 N342 T343Q341-N345 WeakPolarHBondContact O-CB 3.39Å; Q341-N345 PolarHBondContact O-N 3.19Å; N342-N345 CarbonylContact O-C 3.44Å; N342-N345 PolarHBondContact O-N 2.7Å; T343-N345 VanDerWaalsContact C-N 3.28Å; T343-N345 PolarHBondContact O-N 3.24Å
346S69Low59.9Low40 Ų4079.1 Ų79.128%0.2842%0.419SS..SBendtrans-74.8139.4176.9-176.30000110.9N342 T343 L344 Q348 F349 Q350N342-S346 PolarHBondContact O-N 2.94Å; N342-S346 VanDerWaalsContact O-N 3.11Å; T343-S346 WeakPolarHBondContact O-CB 3.48Å; T343-S346 PolarHBondContact O-N 2.71Å; T343-S346 VanDerWaalsContact O-N 3.07Å; L344-S346 VanDerWaalsContact C-N 3.27Å; S346-Q348 PolarHBondContact O-N 3.2Å; S346-Q348 VanDerWaalsContact O-N 3.1Å; S346-F349 PolarHBondContact O-N 3.38Å; S346-Q350 PolarHBondContact O-N 2.97Å; S346-Q350 VanDerWaalsContact O-N 3.13Å
347P55Low60.7Low84 Ų8476.9 Ų76.955%0.54540%0.403SS..Hα-helixtrans-58.3-25.9175.723.7-34.3000112.8Q350 Q351P347-Q350 PolarHBondContact O-N 3.33Å; P347-Q351 WeakPolarHBondContact O-CB 3.06Å; P347-Q351 WeakPolarHBondContact O-CG 3.45Å; P347-Q351 PolarHBondContact O-N 3.02Å
348Q56.3Low61.2Low140 Ų14077.1 Ų77.165%0.65441%0.407SS*.Hα-helixtrans-67.8-35.9176.1-64.6-65.2-800112.8S346 S352S346-Q348 PolarHBondContact O-N 3.2Å; S346-Q348 VanDerWaalsContact O-N 3.1Å; Q348-S352 WeakPolarHBondContact O-CB 3.14Å; Q348-S352 PolarHBondContact O-N 3.31Å; Q348-S352 PolarHBondContact O-OG 2.78Å
349F62.8Low61.7Low60 Ų6071.9 Ų71.926%0.26339%0.389SS..Hα-helixtrans-72.9-39.7172.6-177.5-95.8000110.8T343 L344 S346 S352 M353T343-F349 VanDerWaalsContact O-CB 3.22Å; T343-F349 WeakPolarHBondContact O-CB 3.48Å; L344-F349 HydrophobicContact CB-CD1 4.3Å; L344-F349 HydrophobicContact CB-CE1 4.45Å; L344-F349 HydrophobicContact CD2-CD1 3.82Å; L344-F349 HydrophobicContact CD2-CD2 3.96Å; L344-F349 HydrophobicContact CD2-CE1 3.39Å; L344-F349 HydrophobicContact CD2-CE2 3.55Å; L344-F349 HydrophobicContact CD2-CG 4.09Å; L344-F349 HydrophobicContact CD2-CZ 3.24Å; L344-F349 WeakPolarHBondContact O-CD1 3.5Å; S346-F349 PolarHBondContact O-N 3.38Å; F349-S352 CarbonylContact O-C 3.53Å; F349-S352 WeakPolarHBondContact O-CB 3.46Å; F349-S352 PolarHBondContact O-N 2.96Å; F349-M353 HydrophobicContact CE1-CB 4.35Å; F349-M353 HydrophobicContact CE1-CE 3.59Å; F349-M353 HydrophobicContact CZ-CE 3.47Å; F349-M353 VanDerWaalsContact CZ-CE 3.47Å; F349-M353 WeakPolarHBondContact O-CB 3.46Å; F349-M353 PolarHBondContact O-N 3.47Å
350Q65.8Low61.9Low75 Ų7567.1 Ų67.135%0.3537%0.367SS..Hα-helixtrans-61.9-45.6176.7-65.5169-1.900111.8A302 S346 P347 S352 M353 S354A302-Q350 HydrophobicContact CB-CG 4.32Å; S346-Q350 PolarHBondContact O-N 2.97Å; S346-Q350 VanDerWaalsContact O-N 3.13Å; P347-Q350 PolarHBondContact O-N 3.33Å; Q350-S352 VanDerWaalsContact C-N 3.31Å; Q350-S352 PolarHBondContact O-N 3.15Å; Q350-M353 PolarHBondContact O-N 2.81Å; Q350-M353 VanDerWaalsContact O-N 3.13Å; Q350-S354 PolarHBondContact O-N 2.99Å; Q350-S354 PolarHBondContact O-OG 2.72Å
351Q60.1Low62.2Low128 Ų12868.3 Ų68.360%0.59838%0.381SS*.Hα-helixtrans-54.8-46.8171.6-69.6-82.2-76.700111.5P347 M353 S354 M355P347-Q351 WeakPolarHBondContact O-CB 3.06Å; P347-Q351 WeakPolarHBondContact O-CG 3.45Å; P347-Q351 PolarHBondContact O-N 3.02Å; Q351-M353 PolarHBondContact O-N 2.87Å; Q351-S354 PolarHBondContact O-N 2.64Å; Q351-M355 WeakPolarHBondContact O-CG 3.33Å; Q351-M355 PolarHBondContact O-N 2.93Å
352S58.1Low62.7Low63 Ų6367.5 Ų67.544%0.44138%0.384SS..Hα-helixtrans-63.3-38.5176.4-58.10000112.7Q348 F349 Q350 M355 F356Q348-S352 WeakPolarHBondContact O-CB 3.14Å; Q348-S352 PolarHBondContact O-N 3.31Å; Q348-S352 PolarHBondContact O-OG 2.78Å; F349-S352 CarbonylContact O-C 3.53Å; F349-S352 WeakPolarHBondContact O-CB 3.46Å; F349-S352 PolarHBondContact O-N 2.96Å; Q350-S352 VanDerWaalsContact C-N 3.31Å; Q350-S352 PolarHBondContact O-N 3.15Å; S352-M355 PolarHBondContact O-N 2.89Å; S352-F356 VanDerWaalsContact O-CB 3.29Å; S352-F356 WeakPolarHBondContact O-CB 3.23Å; S352-F356 PolarHBondContact O-N 2.79Å
353M63.1Low62.9Low22 Ų2262.9 Ų62.911%0.10836%0.362CS..Hα-helixtrans-69.5-39177.9-177.96070.200112.2L301 A302 F349 Q350 Q351 F356 S357L301-M353 HydrophobicContact CB-CG 3.92Å; L301-M353 HydrophobicContact CB-SD 3.74Å; L301-M353 HydrophobicContact CD1-SD 4.27Å; A302-M353 HydrophobicContact CB-CG 4.19Å; F349-M353 HydrophobicContact CE1-CB 4.35Å; F349-M353 HydrophobicContact CE1-CE 3.59Å; F349-M353 HydrophobicContact CZ-CE 3.47Å; F349-M353 VanDerWaalsContact CZ-CE 3.47Å; F349-M353 WeakPolarHBondContact O-CB 3.46Å; F349-M353 PolarHBondContact O-N 3.47Å; Q350-M353 PolarHBondContact O-N 2.81Å; Q350-M353 VanDerWaalsContact O-N 3.13Å; Q351-M353 PolarHBondContact O-N 2.87Å; M353-F356 PolarHBondContact O-N 2.63Å; M353-F356 HydrophobicContact SD-CD1 4.18Å; M353-S357 WeakPolarHBondContact O-CB 3.14Å; M353-S357 PolarHBondContact O-N 3.4Å
354S63.4Low62.8Low50 Ų5066.9 Ų66.935%0.3538%0.376SS..Hα-helixtrans-71.1-35174.9-51.50000111.7D300 Q350 Q351 S357 S358D300-S354 PolarHBondContact OD1-OG 2.88Å; Q350-S354 PolarHBondContact O-N 2.99Å; Q350-S354 PolarHBondContact O-OG 2.72Å; Q351-S354 PolarHBondContact O-N 2.64Å; S354-S357 PolarHBondContact O-N 2.69Å; S354-S358 PolarHBondContact O-N 3.4Å
355M64.1Low62.9Low113 Ų11366.2 Ų66.256%0.55737%0.373SS*.Hα-helixtrans-64.4-42.3169-72.4-171.4-68.800111.9Q351 S352 S358 A359Q351-M355 WeakPolarHBondContact O-CG 3.33Å; Q351-M355 PolarHBondContact O-N 2.93Å; S352-M355 PolarHBondContact O-N 2.89Å; M355-S358 WeakPolarHBondContact O-CB 3.44Å; M355-S358 PolarHBondContact O-N 3.11Å; M355-A359 PolarHBondContact O-N 3.25Å
356F64Low62.9Low78 Ų7860.6 Ų60.634%0.34234%0.343SS..Hα-helixtrans-62.4-40.3173.2179.9-91000112L301 S352 M353 S358 A359 L360 L365 M369L301-F356 HydrophobicContact CD1-CD1 4.24Å; S352-F356 VanDerWaalsContact O-CB 3.29Å; S352-F356 WeakPolarHBondContact O-CB 3.23Å; S352-F356 PolarHBondContact O-N 2.79Å; M353-F356 PolarHBondContact O-N 2.63Å; M353-F356 HydrophobicContact SD-CD1 4.18Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.84Å; F356-A359 CarbonylContact O-C 3.59Å; F356-A359 PolarHBondContact O-N 3.27Å; F356-L360 HydrophobicContact CE1-CD2 4.45Å; F356-L360 VanDerWaalsContact O-CB 3.27Å; F356-L360 WeakPolarHBondContact O-CB 3.2Å; F356-L360 PolarHBondContact O-N 3.46Å; F356-L365 HydrophobicContact CD2-CD1 3.54Å; F356-L365 HydrophobicContact CD2-CD2 4.47Å; F356-L365 HydrophobicContact CE1-CD1 4.5Å; F356-L365 HydrophobicContact CE2-CD1 3.47Å; F356-L365 VanDerWaalsContact CE2-CD1 3.47Å; F356-L365 HydrophobicContact CE2-CD2 3.79Å; F356-L365 HydrophobicContact CE2-CG 4.31Å; F356-L365 HydrophobicContact CG-CD1 4.12Å; F356-L365 HydrophobicContact CZ-CD1 3.99Å; F356-L365 HydrophobicContact CZ-CD2 4.44Å; F356-M369 HydrophobicContact CE1-CE 4.02Å; F356-M369 HydrophobicContact CE2-CE 4.36Å; F356-M369 HydrophobicContact CZ-CE 3.48Å; F356-M369 VanDerWaalsContact CZ-CE 3.48Å
357S66.6Low62.5Low10 Ų1063 Ų637%0.0736%0.357CS..Hα-helixtrans-61.9-37.1174.6-167.20000112M353 S354 L360 A361M353-S357 WeakPolarHBondContact O-CB 3.14Å; M353-S357 PolarHBondContact O-N 3.4Å; S354-S357 PolarHBondContact O-N 2.69Å; S357-L360 PolarHBondContact O-N 3.45Å; S357-A361 WeakPolarHBondContact O-CB 3.49Å; S357-A361 PolarHBondContact O-N 2.67Å
358S64Low62.8Low74 Ų7463.6 Ų63.652%0.51736%0.356SS..Hα-helixtrans-69.6-42.6174.2-1690000112.1S354 M355 F356 L360 A361 S362S354-S358 PolarHBondContact O-N 3.4Å; M355-S358 WeakPolarHBondContact O-CB 3.44Å; M355-S358 PolarHBondContact O-N 3.11Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.84Å; S358-L360 VanDerWaalsContact C-N 3.27Å; S358-L360 PolarHBondContact O-N 2.83Å; S358-A361 PolarHBondContact O-N 3.03Å; S358-S362 PolarHBondContact O-N 3.02Å
359A64.4Low63Low35 Ų3557.2 Ų57.229%0.28933%0.326SS..Hα-helixtrans-71.4-19.2174.800000113.8M355 F356 S362 L365M355-A359 PolarHBondContact O-N 3.25Å; F356-A359 CarbonylContact O-C 3.59Å; F356-A359 PolarHBondContact O-N 3.27Å; A359-S362 PolarHBondContact O-OG 2.84Å; A359-L365 HydrophobicContact CB-CD1 3.89Å
360L63.8Low63Low0 Ų059.8 Ų59.80%034%0.342CS..Hα-helixtrans-80.9-45.1170.2-178.755.6000110.2L301 F356 S357 S358 S362 G363 L365 M369 A382 G385 V387 F390L301-L360 HydrophobicContact CD1-CD2 4.13Å; F356-L360 HydrophobicContact CE1-CD2 4.45Å; F356-L360 VanDerWaalsContact O-CB 3.27Å; F356-L360 WeakPolarHBondContact O-CB 3.2Å; F356-L360 PolarHBondContact O-N 3.46Å; S357-L360 PolarHBondContact O-N 3.45Å; S358-L360 VanDerWaalsContact C-N 3.27Å; S358-L360 PolarHBondContact O-N 2.83Å; L360-S362 PolarHBondContact O-N 3.44Å; L360-G363 PolarHBondContact O-N 2.96Å; L360-L365 HydrophobicContact CB-CD1 4.27Å; L360-L365 HydrophobicContact CD1-CB 4.25Å; L360-M369 HydrophobicContact CD1-CE 3.56Å; L360-M369 HydrophobicContact CD1-SD 4.44Å; L360-M369 HydrophobicContact CD2-CE 4.18Å; L360-M369 HydrophobicContact CG-CE 4.41Å; L360-A382 HydrophobicContact CD1-CB 3.54Å; L360-G385 WeakPolarHBondContact O-CA 3.36Å; L360-V387 HydrophobicContact CG-CG2 4.26Å; L360-F390 HydrophobicContact CD2-CB 4.38Å; L360-F390 HydrophobicContact CD2-CD1 3.59Å; L360-F390 HydrophobicContact CD2-CD2 4.4Å; L360-F390 HydrophobicContact CD2-CE1 3.92Å; L360-F390 HydrophobicContact CD2-CG 3.86Å; L360-F390 HydrophobicContact CD2-CZ 4.47Å
361A64.7Low62.6Low55 Ų5562.8 Ų62.846%0.45536%0.356SS..Hα-helixtrans-60.1-25.6173.500000113.3S357 S358 G363 V387S357-A361 WeakPolarHBondContact O-CB 3.49Å; S357-A361 PolarHBondContact O-N 2.67Å; S358-A361 PolarHBondContact O-N 3.03Å; A361-G363 VanDerWaalsContact C-N 3.26Å; A361-G363 PolarHBondContact O-N 2.91Å; A361-V387 HydrophobicContact CB-CG2 3.82Å
362S68Low62.6Low59 Ų5963.1 Ų63.141%0.41336%0.356SS..THydrogen-bonded Turntrans-78-3.817375.50000114.4S358 A359 L360 Q364S358-S362 PolarHBondContact O-N 3.02Å; A359-S362 PolarHBondContact O-OG 2.84Å; L360-S362 PolarHBondContact O-N 3.44Å; S362-Q364 PolarHBondContact O-N 2.79Å; S362-Q364 VanDerWaalsContact O-N 3.14Å; S362-Q364 VanDerWaalsContact OG-CD 3.28Å; S362-Q364 WeakPolarHBondContact OG-CG 3.47Å; S362-Q364 PolarHBondContact OG-OE1 2.82Å
363G62.6Low62.4Low15 Ų1563.3 Ų63.316%0.15537%0.368CS..SBendtrans73.6-8.9-178.100000115.1L360 A361 L365 G366 A382L360-G363 PolarHBondContact O-N 2.96Å; A361-G363 VanDerWaalsContact C-N 3.26Å; A361-G363 PolarHBondContact O-N 2.91Å; G363-L365 PolarHBondContact O-N 3.05Å; G363-G366 PolarHBondContact O-N 2.83Å; G363-A382 WeakPolarHBondContact CA-O 3.36Å
364Q63.3Low62.7Low153 Ų15365 Ų6572%0.71538%0.377SS*.THydrogen-bonded Turntrans-68.2-20.2-171-68.2168.9-10.800113.6S362S362-Q364 PolarHBondContact O-N 2.79Å; S362-Q364 VanDerWaalsContact O-N 3.14Å; S362-Q364 VanDerWaalsContact OG-CD 3.28Å; S362-Q364 WeakPolarHBondContact OG-CG 3.47Å; S362-Q364 PolarHBondContact OG-OE1 2.82Å
365L60.8Low62.9Low19 Ų1964.5 Ų64.510%0.09937%0.373CS..THydrogen-bonded Turntrans-82.8-17.5-179.3-103.5162.2000114.2F356 A359 L360 G363 L368 M369F356-L365 HydrophobicContact CD2-CD1 3.54Å; F356-L365 HydrophobicContact CD2-CD2 4.47Å; F356-L365 HydrophobicContact CE1-CD1 4.5Å; F356-L365 HydrophobicContact CE2-CD1 3.47Å; F356-L365 VanDerWaalsContact CE2-CD1 3.47Å; F356-L365 HydrophobicContact CE2-CD2 3.79Å; F356-L365 HydrophobicContact CE2-CG 4.31Å; F356-L365 HydrophobicContact CG-CD1 4.12Å; F356-L365 HydrophobicContact CZ-CD1 3.99Å; F356-L365 HydrophobicContact CZ-CD2 4.44Å; A359-L365 HydrophobicContact CB-CD1 3.89Å; L360-L365 HydrophobicContact CB-CD1 4.27Å; L360-L365 HydrophobicContact CD1-CB 4.25Å; G363-L365 PolarHBondContact O-N 3.05Å; L365-L368 HydrophobicContact CD2-CB 4.16Å; L365-L368 HydrophobicContact CD2-CD1 3.89Å; L365-L368 WeakPolarHBondContact O-CA 3.38Å; L365-L368 WeakPolarHBondContact O-CB 3.46Å; L365-L368 PolarHBondContact O-N 2.91Å; L365-M369 HydrophobicContact CB-CE 4.14Å; L365-M369 HydrophobicContact CB-SD 3.78Å; L365-M369 HydrophobicContact CD2-CE 4.39Å; L365-M369 HydrophobicContact CD2-SD 3.97Å; L365-M369 HydrophobicContact CG-SD 4.43Å; L365-M369 PolarHBondContact O-N 3.49Å; L365-M369 VanDerWaalsContact O-N 3.14Å
366G60.5Low63.1Low0 Ų063 Ų630%038%0.38CS..Hα-helixtrans-48.8-44.2-174.800000116.4G363 L368 M369 N370G363-G366 PolarHBondContact O-N 2.83Å; G366-L368 VanDerWaalsContact C-N 3.28Å; G366-L368 PolarHBondContact O-N 3Å; G366-M369 PolarHBondContact O-N 2.85Å; G366-N370 PolarHBondContact O-N 3.08Å
367P62.2Low63.2Low90 Ų9066.5 Ų66.558%0.58440%0.397SS*.Hα-helixtrans-63.6-28.7175.8-25.435.8000114.3Q371P367-Q371 PolarHBondContact O-N 3.19Å
368L60.1Low63.2Low97 Ų9766 Ų6651%0.50839%0.394SS..Hα-helixtrans-78.9-36.5176.1-65.7169.6000111.3L365 G366 N370 Q371 F372L365-L368 HydrophobicContact CD2-CB 4.16Å; L365-L368 HydrophobicContact CD2-CD1 3.89Å; L365-L368 WeakPolarHBondContact O-CA 3.38Å; L365-L368 WeakPolarHBondContact O-CB 3.46Å; L365-L368 PolarHBondContact O-N 2.91Å; G366-L368 VanDerWaalsContact C-N 3.28Å; G366-L368 PolarHBondContact O-N 3Å; L368-N370 PolarHBondContact O-N 3.16Å; L368-Q371 CarbonylContact O-C 3.2Å; L368-Q371 WeakPolarHBondContact O-CA 3.42Å; L368-Q371 WeakPolarHBondContact O-CB 3.46Å; L368-Q371 PolarHBondContact O-N 2.85Å; L368-F372 VanDerWaalsContact O-CD2 3.23Å; L368-F372 WeakPolarHBondContact O-CD2 3.45Å; L368-F372 PolarHBondContact O-N 2.94Å
369M60.5Low63.4Low6 Ų663.2 Ų63.23%0.0337%0.373CS..Hα-helixtrans-56.6-39.8172.5-87.664.6176.300112.1F356 L360 L365 G366 Q371 F372 G373 L374 V379 A382 F390F356-M369 HydrophobicContact CE1-CE 4.02Å; F356-M369 HydrophobicContact CE2-CE 4.36Å; F356-M369 HydrophobicContact CZ-CE 3.48Å; F356-M369 VanDerWaalsContact CZ-CE 3.48Å; L360-M369 HydrophobicContact CD1-CE 3.56Å; L360-M369 HydrophobicContact CD1-SD 4.44Å; L360-M369 HydrophobicContact CD2-CE 4.18Å; L360-M369 HydrophobicContact CG-CE 4.41Å; L365-M369 HydrophobicContact CB-CE 4.14Å; L365-M369 HydrophobicContact CB-SD 3.78Å; L365-M369 HydrophobicContact CD2-CE 4.39Å; L365-M369 HydrophobicContact CD2-SD 3.97Å; L365-M369 HydrophobicContact CG-SD 4.43Å; L365-M369 PolarHBondContact O-N 3.49Å; L365-M369 VanDerWaalsContact O-N 3.14Å; G366-M369 PolarHBondContact O-N 2.85Å; M369-Q371 VanDerWaalsContact C-N 3.3Å; M369-Q371 PolarHBondContact O-N 3.2Å; M369-F372 PolarHBondContact O-N 2.79Å; M369-G373 PolarHBondContact O-N 2.93Å; M369-L374 HydrophobicContact CB-CD1 4.41Å; M369-L374 HydrophobicContact CG-CD1 3.95Å; M369-V379 HydrophobicContact CB-CG2 4.22Å; M369-A382 HydrophobicContact CB-CB 4.2Å; M369-A382 HydrophobicContact CE-CB 4.46Å; M369-A382 HydrophobicContact CG-CB 3.78Å; M369-A382 HydrophobicContact SD-CB 4.26Å; M369-F390 HydrophobicContact CE-CE2 4.06Å; M369-F390 HydrophobicContact CE-CZ 3.95Å; M369-F390 HydrophobicContact CG-CE2 3.92Å; M369-F390 HydrophobicContact CG-CZ 4.45Å
370N62.8Low63.8Low114 Ų11465.1 Ų65.161%0.6138%0.379SS*.Hα-helixtrans-61.8-38173.4-171.466.9000112G366 L368 F372 G373 V379G366-N370 PolarHBondContact O-N 3.08Å; L368-N370 PolarHBondContact O-N 3.16Å; N370-F372 VanDerWaalsContact C-N 3.3Å; N370-F372 PolarHBondContact O-N 2.92Å; N370-G373 PolarHBondContact O-N 2.82Å; N370-V379 HydrophobicContact CB-CG1 3.92Å
371Q57.2Low64.1Low138 Ų13865.4 Ų65.465%0.64538%0.381SS*.Hα-helixtrans-73.4-19.4176.7-172.357.29200113.5P367 L368 M369P367-Q371 PolarHBondContact O-N 3.19Å; L368-Q371 CarbonylContact O-C 3.2Å; L368-Q371 WeakPolarHBondContact O-CA 3.42Å; L368-Q371 WeakPolarHBondContact O-CB 3.46Å; L368-Q371 PolarHBondContact O-N 2.85Å; M369-Q371 VanDerWaalsContact C-N 3.3Å; M369-Q371 PolarHBondContact O-N 3.2Å
372F60.2Low64.3Low135 Ų13562.8 Ų62.859%0.59236%0.359SS*.THydrogen-bonded Turntrans-85.9-3.3170.8-79.7-70.4000114L368 M369 N370 L374L368-F372 VanDerWaalsContact O-CD2 3.23Å; L368-F372 WeakPolarHBondContact O-CD2 3.45Å; L368-F372 PolarHBondContact O-N 2.94Å; M369-F372 PolarHBondContact O-N 2.79Å; N370-F372 VanDerWaalsContact C-N 3.3Å; N370-F372 PolarHBondContact O-N 2.92Å; F372-L374 HydrophobicContact CB-CG 4.43Å; F372-L374 PolarHBondContact O-N 3.07Å
373G54.8Low64.5Low67 Ų6763.7 Ų63.769%0.69136%0.36SS*.THydrogen-bonded Turntrans70.126175.200000115M369 N370M369-G373 PolarHBondContact O-N 2.93Å; N370-G373 PolarHBondContact O-N 2.82Å
374L68.3Low64.9Low57 Ų5771.9 Ų71.930%0.29839%0.386SS..  trans-69.7161.9174.1-60-176.8000111.5M369 F372 A378 V379 F390 M394M369-L374 HydrophobicContact CB-CD1 4.41Å; M369-L374 HydrophobicContact CG-CD1 3.95Å; F372-L374 HydrophobicContact CB-CG 4.43Å; F372-L374 PolarHBondContact O-N 3.07Å; L374-A378 HydrophobicContact CB-CB 4.39Å; L374-V379 HydrophobicContact CB-CG2 4.25Å; L374-V379 WeakPolarHBondContact O-CG2 3.32Å; L374-F390 HydrophobicContact CD1-CE2 3.86Å; L374-F390 HydrophobicContact CD1-CZ 3.84Å; L374-M394 HydrophobicContact CD1-SD 4.08Å; L374-M394 HydrophobicContact CD2-SD 3.95Å
375S67.8Low65.1Low39 Ų3965.4 Ų65.427%0.27336%0.36SS..  trans-57.3145.8-179.765.60000111.8E377 A378 V379S375-E377 PolarHBondContact O-N 3.1Å; S375-E377 VanDerWaalsContact O-N 3.11Å; S375-A378 WeakPolarHBondContact O-CA 3.34Å; S375-A378 WeakPolarHBondContact O-CB 3.22Å; S375-A378 PolarHBondContact O-N 3Å; S375-A378 WeakPolarHBondContact OG-CB 3.12Å; S375-V379 WeakPolarHBondContact O-CG2 3.46Å; S375-V379 PolarHBondContact O-N 2.96Å
376A68.9Low65.8Low83 Ų8367.8 Ų67.869%0.68637%0.373SS*.Hα-helixtrans-56.3-33.5-175.900000112.9V379 D380A376-V379 PolarHBondContact O-N 2.82Å; A376-D380 WeakPolarHBondContact O-CB 3.23Å; A376-D380 PolarHBondContact O-N 3.44Å
377E66.8Low66.2Low151 Ų15168.5 Ų68.571%0.70638%0.377SS*.Hα-helixtrans-67.7-39.3175-58.3-177.6129.300112.7S375 A381 A393S375-E377 PolarHBondContact O-N 3.1Å; S375-E377 VanDerWaalsContact O-N 3.11Å; E377-A381 VanDerWaalsContact O-CB 3.29Å; E377-A381 WeakPolarHBondContact O-CB 3.45Å; E377-A381 PolarHBondContact O-N 3.5Å; E377-A393 HydrophobicContact CB-CB 4.35Å
378A65.8Low66.4Low0 Ų070.4 Ų70.40%038%0.378CS..Hα-helixtrans-69.9-40.4173.700000111.2L374 S375 A382 F390 A393L374-A378 HydrophobicContact CB-CB 4.39Å; S375-A378 WeakPolarHBondContact O-CA 3.34Å; S375-A378 WeakPolarHBondContact O-CB 3.22Å; S375-A378 PolarHBondContact O-N 3Å; S375-A378 WeakPolarHBondContact OG-CB 3.12Å; A378-A382 VanDerWaalsContact O-CB 3.25Å; A378-A382 WeakPolarHBondContact O-CB 3.24Å; A378-A382 PolarHBondContact O-N 3.37Å; A378-F390 HydrophobicContact CB-CD2 4.06Å; A378-F390 HydrophobicContact CB-CE2 4.09Å; A378-F390 WeakPolarHBondContact O-CD2 3.27Å; A378-A393 HydrophobicContact CB-CB 3.86Å
379V68.4Low66.9Low15 Ų1567.4 Ų67.49%0.09137%0.368CS..Hα-helixtrans-61.8-44.6174.5176.20000110.7M369 N370 L374 S375 A376 A382 N383M369-V379 HydrophobicContact CB-CG2 4.22Å; N370-V379 HydrophobicContact CB-CG1 3.92Å; L374-V379 HydrophobicContact CB-CG2 4.25Å; L374-V379 WeakPolarHBondContact O-CG2 3.32Å; S375-V379 WeakPolarHBondContact O-CG2 3.46Å; S375-V379 PolarHBondContact O-N 2.96Å; A376-V379 PolarHBondContact O-N 2.82Å; V379-A382 PolarHBondContact O-N 2.94Å; V379-N383 PolarHBondContact O-N 3.09Å; V379-N383 PolarHBondContact O-ND2 3.34Å
380D72.8Confident67.2Low75 Ų7568 Ų6840%0.40137%0.37SS..Hα-helixtrans-68.1-43.4179.4-164.1-95.2000111.7A376 A382 N383 R384A376-D380 WeakPolarHBondContact O-CB 3.23Å; A376-D380 PolarHBondContact O-N 3.44Å; D380-A382 VanDerWaalsContact C-N 3.3Å; D380-A382 PolarHBondContact O-N 3.06Å; D380-N383 PolarHBondContact O-N 3.36Å; D380-N383 VanDerWaalsContact O-N 3.11Å; D380-R384 WeakPolarHBondContact O-CG 3.4Å; D380-R384 PolarHBondContact O-N 2.92Å; D380-R384 IonicContact OD1-CZ 2.61Å; D380-R384 IonicContact OD1-NE 2.66Å; D380-R384 PolarHBondContact OD1-NE 3.45Å; D380-R384 IonicContact OD1-NH2 3.97Å; D380-R384 PolarHBondContact OD1-NH2 3.38Å
381A70.4Confident67.5Low6 Ų663.3 Ų63.35%0.0535%0.347CS..Hα-helixtrans-57.2-41.5171.300000112.5E377 N383 R384 G385 D386 A389 F390E377-A381 VanDerWaalsContact O-CB 3.29Å; E377-A381 WeakPolarHBondContact O-CB 3.45Å; E377-A381 PolarHBondContact O-N 3.5Å; A381-N383 PolarHBondContact O-N 2.97Å; A381-R384 PolarHBondContact O-N 2.98Å; A381-G385 PolarHBondContact O-N 2.95Å; A381-G385 VanDerWaalsContact O-N 3.1Å; A381-D386 PolarHBondContact O-N 3.37Å; A381-A389 HydrophobicContact CB-CB 3.81Å; A381-F390 HydrophobicContact CB-CB 4.2Å
382A69.1Low68Low0 Ų066.2 Ų66.20%035%0.352CS..Hα-helixtrans-65.6-33.1175.600000113.4L360 G363 M369 A378 V379 D380 F390L360-A382 HydrophobicContact CD1-CB 3.54Å; G363-A382 WeakPolarHBondContact CA-O 3.36Å; M369-A382 HydrophobicContact CB-CB 4.2Å; M369-A382 HydrophobicContact CE-CB 4.46Å; M369-A382 HydrophobicContact CG-CB 3.78Å; M369-A382 HydrophobicContact SD-CB 4.26Å; A378-A382 VanDerWaalsContact O-CB 3.25Å; A378-A382 WeakPolarHBondContact O-CB 3.24Å; A378-A382 PolarHBondContact O-N 3.37Å; V379-A382 PolarHBondContact O-N 2.94Å; D380-A382 VanDerWaalsContact C-N 3.3Å; D380-A382 PolarHBondContact O-N 3.06Å; A382-F390 HydrophobicContact CB-CD2 3.95Å; A382-F390 HydrophobicContact CB-CE2 4.24Å
383N70.9Confident68.2Low78 Ų7860.4 Ų60.442%0.41733%0.329SS..Hα-helixtrans-74.1-29.2172.7-77.7-82.8000112.3V379 D380 A381V379-N383 PolarHBondContact O-N 3.09Å; V379-N383 PolarHBondContact O-ND2 3.34Å; D380-N383 PolarHBondContact O-N 3.36Å; D380-N383 VanDerWaalsContact O-N 3.11Å; A381-N383 PolarHBondContact O-N 2.97Å
384R72.3Confident68.6Low186 Ų18660.1 Ų60.170%0.70231%0.311SS*.Hα-helixtrans-78.7-13.9174.6-65.4-175.3-149.9173.57114.4D380 A381 D386D380-R384 WeakPolarHBondContact O-CG 3.4Å; D380-R384 PolarHBondContact O-N 2.92Å; D380-R384 IonicContact OD1-CZ 2.61Å; D380-R384 IonicContact OD1-NE 2.66Å; D380-R384 PolarHBondContact OD1-NE 3.45Å; D380-R384 IonicContact OD1-NH2 3.97Å; D380-R384 PolarHBondContact OD1-NH2 3.38Å; A381-R384 PolarHBondContact O-N 2.98Å; R384-D386 VanDerWaalsContact C-N 3.33Å; R384-D386 HydrophobicContact CB-CB 4.46Å
385G67.3Low68.3Low17 Ų1762.9 Ų62.918%0.17532%0.322CS..THydrogen-bonded Turntrans77.714.6-171.200000114.6L360 A381 V387L360-G385 WeakPolarHBondContact O-CA 3.36Å; A381-G385 PolarHBondContact O-N 2.95Å; A381-G385 VanDerWaalsContact O-N 3.1Å; G385-V387 PolarHBondContact O-N 3.3Å
386D74Confident67.5Low69 Ų6963.1 Ų63.137%0.36933%0.331SS..  trans-87.990.9-176.2-168.9-22.9000110.7A381 R384 E388 A389 F390A381-D386 PolarHBondContact O-N 3.37Å; R384-D386 VanDerWaalsContact C-N 3.33Å; R384-D386 HydrophobicContact CB-CB 4.46Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.9Å; D386-E388 PolarHBondContact OD1-N 3.45Å; D386-A389 HydrophobicContact CB-CB 3.9Å; D386-A389 PolarHBondContact O-N 3.4Å; D386-A389 WeakPolarHBondContact OD1-CB 3.24Å; D386-A389 PolarHBondContact OD1-N 2.79Å; D386-A389 WeakPolarHBondContact OD2-CB 3.4Å; D386-F390 WeakPolarHBondContact O-CB 3.27Å; D386-F390 PolarHBondContact O-N 3.38Å
387V68.8Low66.7Low16 Ų1662.5 Ų62.510%0.09732%0.321CS..Hα-helixtrans-67.3-31.3-177.4-175.10000112.2L301 L360 A361 G385 A391L301-V387 HydrophobicContact CD1-CG1 4.2Å; L301-V387 HydrophobicContact CD2-CG1 3.75Å; L301-V387 HydrophobicContact CG-CG1 3.93Å; L360-V387 HydrophobicContact CG-CG2 4.26Å; A361-V387 HydrophobicContact CB-CG2 3.82Å; G385-V387 PolarHBondContact O-N 3.3Å; V387-A391 VanDerWaalsContact O-CB 3.29Å; V387-A391 WeakPolarHBondContact O-CB 3.41Å; V387-A391 PolarHBondContact O-N 2.87Å
388E67.9Low65.7Low130 Ų13059.8 Ų59.861%0.60731%0.307SS*.Hα-helixtrans-72.7-44.4175.3-76.4-157.5127.900111.4V299 D386 F390 A391 R392V299-E388 HydrophobicContact CB-CG 4.46Å; V299-E388 HydrophobicContact CG2-CG 3.8Å; D386-E388 VanDerWaalsContact C-N 3.33Å; D386-E388 PolarHBondContact O-N 2.9Å; D386-E388 PolarHBondContact OD1-N 3.45Å; E388-F390 VanDerWaalsContact C-N 3.32Å; E388-F390 PolarHBondContact O-N 2.96Å; E388-A391 PolarHBondContact O-N 2.88Å; E388-R392 WeakPolarHBondContact O-CB 3.13Å; E388-R392 PolarHBondContact O-N 3.18Å
389A68.9Low64.4Low34 Ų3462.6 Ų62.628%0.28134%0.336SS..Hα-helixtrans-63.7-38.3173.900000111.6A381 D386 R392 A393A381-A389 HydrophobicContact CB-CB 3.81Å; D386-A389 HydrophobicContact CB-CB 3.9Å; D386-A389 PolarHBondContact O-N 3.4Å; D386-A389 WeakPolarHBondContact OD1-CB 3.24Å; D386-A389 PolarHBondContact OD1-N 2.79Å; D386-A389 WeakPolarHBondContact OD2-CB 3.4Å; A389-R392 PolarHBondContact O-N 3.47Å; A389-A393 VanDerWaalsContact O-CB 3.23Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 3.21Å
390F68.4Low63.1Low17 Ų1769.1 Ų69.18%0.07537%0.37CS..Hα-helixtrans-61.7-51.2174.2179.5-95.2000111.9L360 M369 L374 A378 A381 A382 D386 E388 R392 A393 M394L360-F390 HydrophobicContact CD2-CB 4.38Å; L360-F390 HydrophobicContact CD2-CD1 3.59Å; L360-F390 HydrophobicContact CD2-CD2 4.4Å; L360-F390 HydrophobicContact CD2-CE1 3.92Å; L360-F390 HydrophobicContact CD2-CG 3.86Å; L360-F390 HydrophobicContact CD2-CZ 4.47Å; M369-F390 HydrophobicContact CE-CE2 4.06Å; M369-F390 HydrophobicContact CE-CZ 3.95Å; M369-F390 HydrophobicContact CG-CE2 3.92Å; M369-F390 HydrophobicContact CG-CZ 4.45Å; L374-F390 HydrophobicContact CD1-CE2 3.86Å; L374-F390 HydrophobicContact CD1-CZ 3.84Å; A378-F390 HydrophobicContact CB-CD2 4.06Å; A378-F390 HydrophobicContact CB-CE2 4.09Å; A378-F390 WeakPolarHBondContact O-CD2 3.27Å; A381-F390 HydrophobicContact CB-CB 4.2Å; A382-F390 HydrophobicContact CB-CD2 3.95Å; A382-F390 HydrophobicContact CB-CE2 4.24Å; D386-F390 WeakPolarHBondContact O-CB 3.27Å; D386-F390 PolarHBondContact O-N 3.38Å; E388-F390 VanDerWaalsContact C-N 3.32Å; E388-F390 PolarHBondContact O-N 2.96Å; F390-R392 VanDerWaalsContact C-N 3.3Å; F390-R392 PolarHBondContact O-N 3.32Å; F390-A393 PolarHBondContact O-N 2.77Å; F390-M394 HydrophobicContact CD1-CG 4.27Å; F390-M394 HydrophobicContact CE1-CG 3.85Å; F390-M394 HydrophobicContact CE2-CG 4.37Å; F390-M394 HydrophobicContact CZ-CG 3.9Å; F390-M394 HydrophobicContact CZ-SD 4.32Å; F390-M394 WeakPolarHBondContact O-CB 3.1Å; F390-M394 WeakPolarHBondContact O-CG 3.39Å; F390-M394 PolarHBondContact O-N 3.35Å
391A68.8Low61.6Low16 Ų1670.8 Ų70.813%0.13239%0.388CS..Hα-helixtrans-61.4-39.917800000111.7L301 V304 V387 E388 Q395L301-A391 HydrophobicContact CD2-CB 4.37Å; V304-A391 HydrophobicContact CG1-CB 4.32Å; V387-A391 VanDerWaalsContact O-CB 3.29Å; V387-A391 WeakPolarHBondContact O-CB 3.41Å; V387-A391 PolarHBondContact O-N 2.87Å; E388-A391 PolarHBondContact O-N 2.88Å; A391-Q395 VanDerWaalsContact O-CB 3.32Å; A391-Q395 WeakPolarHBondContact O-CB 3.25Å; A391-Q395 PolarHBondContact O-N 3.43Å
392R67.4Low60Low199 Ų19978 Ų7875%0.75142%0.418SS*.Hα-helixtrans-67.9-38.5176.5-169.4-178.9-174.1105.72.7112.6E388 A389 F390 Q395 G396E388-R392 WeakPolarHBondContact O-CB 3.13Å; E388-R392 PolarHBondContact O-N 3.18Å; A389-R392 PolarHBondContact O-N 3.47Å; F390-R392 VanDerWaalsContact C-N 3.3Å; F390-R392 PolarHBondContact O-N 3.32Å; R392-Q395 PolarHBondContact O-N 3.25Å; R392-G396 PolarHBondContact O-N 3.07Å
393A64.4Low58.5Low13 Ų1385.1 Ų85.111%0.10745%0.451CS..Hα-helixtrans-68.6-42.3175.500000111.5E377 A378 A389 F390 Q395 G396 S397E377-A393 HydrophobicContact CB-CB 4.35Å; A378-A393 HydrophobicContact CB-CB 3.86Å; A389-A393 VanDerWaalsContact O-CB 3.23Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 3.21Å; F390-A393 PolarHBondContact O-N 2.77Å; A393-Q395 VanDerWaalsContact C-N 3.31Å; A393-Q395 PolarHBondContact O-N 3.06Å; A393-G396 PolarHBondContact O-N 3.04Å; A393-S397 VanDerWaalsContact O-CB 3.23Å; A393-S397 WeakPolarHBondContact O-CB 3.48Å; A393-S397 PolarHBondContact O-N 3.3Å
394M63.6Low56.9Low62 Ų6291.1 Ų91.131%0.30547%0.474SS..Hα-helixtrans-59.5-40.3171.1-76.8-73.8-72.900112.1I313 L374 F390I313-M394 HydrophobicContact CD1-CE 4.19Å; L374-M394 HydrophobicContact CD1-SD 4.08Å; L374-M394 HydrophobicContact CD2-SD 3.95Å; F390-M394 HydrophobicContact CD1-CG 4.27Å; F390-M394 HydrophobicContact CE1-CG 3.85Å; F390-M394 HydrophobicContact CE2-CG 4.37Å; F390-M394 HydrophobicContact CZ-CG 3.9Å; F390-M394 HydrophobicContact CZ-SD 4.32Å; F390-M394 WeakPolarHBondContact O-CB 3.1Å; F390-M394 WeakPolarHBondContact O-CG 3.39Å; F390-M394 PolarHBondContact O-N 3.35Å
395Q61.8Low55.3Low114 Ų11489.2 Ų89.253%0.53347%0.471SS..Hα-helixtrans-74.5-36.7177.9-177.115126.600113M309 A391 R392 A393 K398M309-Q395 HydrophobicContact CE-CB 3.75Å; M309-Q395 HydrophobicContact CE-CG 3.47Å; M309-Q395 VanDerWaalsContact CE-CG 3.47Å; A391-Q395 VanDerWaalsContact O-CB 3.32Å; A391-Q395 WeakPolarHBondContact O-CB 3.25Å; A391-Q395 PolarHBondContact O-N 3.43Å; R392-Q395 PolarHBondContact O-N 3.25Å; A393-Q395 VanDerWaalsContact C-N 3.31Å; A393-Q395 PolarHBondContact O-N 3.06Å; Q395-K398 PolarHBondContact O-N 3.12Å
396G50.5Low53.9Low45 Ų4596 Ų9646%0.46450%0.498SS..Hα-helixtrans-68.5-42.6175.100000112.9R392 A393 K398 G399 D400R392-G396 PolarHBondContact O-N 3.07Å; A393-G396 PolarHBondContact O-N 3.04Å; G396-K398 PolarHBondContact O-N 3.41Å; G396-G399 PolarHBondContact O-N 3.05Å; G396-D400 PolarHBondContact O-N 2.95Å
397S52.8Low52.2Low69 Ų6999 Ų9948%0.48351%0.514SS..THydrogen-bonded Turntrans-63.3-10.1176.4-170.20000114.1A393A393-S397 VanDerWaalsContact O-CB 3.23Å; A393-S397 WeakPolarHBondContact O-CB 3.48Å; A393-S397 PolarHBondContact O-N 3.3Å
398K46.3Very low51.1Low95 Ų95104.9 Ų104.941%0.41355%0.545SS..THydrogen-bonded Turntrans-97.2-8.5172.6-158.4177.4179.71790113.2E308 M309 Q395 G396E308-K398 PolarHBondContact O-NZ 3.28Å; M309-K398 HydrophobicContact CE-CD 4.32Å; M309-K398 PolarHBondContact O-NZ 2.78Å; M309-K398 HydrophobicContact SD-CD 3.48Å; M309-K398 WeakPolarHBondContact SD-CD 2.98Å; Q395-K398 PolarHBondContact O-N 3.12Å; G396-K398 PolarHBondContact O-N 3.41Å
399G38Very low50.2Low58 Ų58108 Ų10860%0.59856%0.559SS**THydrogen-bonded Turntrans-92.7-33.8176.100000113.8G396 S401G396-G399 PolarHBondContact O-N 3.05Å; G399-S401 VanDerWaalsContact C-N 3.32Å; G399-S401 PolarHBondContact O-N 3.3Å; G399-S401 VanDerWaalsContact O-N 3.14Å
400D40.3Very low49Very low152 Ų152113.9 Ų113.981%0.81359%0.586SS**  trans-9250.9-170.1-147.1-117.9000113.4G396G396-D400 PolarHBondContact O-N 2.95Å
401S41.7Very low48.1Very low111 Ų111120.8 Ų120.878%0.77662%0.62SS**  trans-128.344.3175.8-65.50000111.5G399G399-S401 VanDerWaalsContact C-N 3.32Å; G399-S401 PolarHBondContact O-N 3.3Å; G399-S401 VanDerWaalsContact O-N 3.14Å
402K36.5Very low47Very low156 Ų156125.3 Ų125.368%0.67865%0.651SS**SBendtrans-140.2121.8-179.4-170.6165.8177.41770113.7
403E38.8Very low45.9Very low150 Ų150123.7 Ų123.770%0.70166%0.657SS**  trans61.657.5158.2-70.1163.4-169.600117.5K405E403-K405 PolarHBondContact O-N 2.87Å
404K36.8Very low45.2Very low205 Ų205134.5 Ų134.589%0.89171%0.712SS**  trans-74.782131.4-168.9-175.5-179-168.70107.7
405K37.4Very low44.3Very low146 Ų146138.1 Ų138.164%0.63573%0.733SS**  trans-71.3128174.2-172.6-166.2172.5-141.80108.7E403 D407E403-K405 PolarHBondContact O-N 2.87Å; K405-D407 WeakPolarHBondContact CE-OD1 3.46Å; K405-D407 IonicContact NZ-OD1 2.72Å; K405-D407 PolarHBondContact NZ-OD1 2.9Å; K405-D407 IonicContact NZ-OD2 2.64Å; K405-D407 PolarHBondContact O-N 3.26Å
406E39.5Very low43.4Very low158 Ų158139.4 Ų139.474%0.73874%0.743SS**  trans-73.7112.6165.9-70.6157.7152.500108.2D408E406-D408 VanDerWaalsContact C-N 3.34Å
407D37.6Very low43Very low132 Ų132144.6 Ų144.671%0.70676%0.759SS**  trans-95.571.4158.4-79.7-35.1000107.5K405 E409K405-D407 WeakPolarHBondContact CE-OD1 3.46Å; K405-D407 IonicContact NZ-OD1 2.72Å; K405-D407 PolarHBondContact NZ-OD1 2.9Å; K405-D407 IonicContact NZ-OD2 2.64Å; K405-D407 PolarHBondContact O-N 3.26Å; D407-E409 PolarHBondContact O-N 3.05Å
408D44.8Very low42.4Very low141 Ų141149.1 Ų149.175%0.75478%0.775SS**  trans-72.996.1163.8-99.2-47.1000108.6E406E406-D408 VanDerWaalsContact C-N 3.34Å
409E50Low42.1Very low194 Ų194152.4 Ų152.491%0.90780%0.798SS**  trans-179.876.3152.3-105.4176.3-161.900112.4D407D407-E409 PolarHBondContact O-N 3.05Å
410D42.6Very low42.4Very low158 Ų158158.7 Ų158.785%0.84581%0.811SS**  trans-156.8169.4137.1-146.2-16.3000111.3
411M50.9Low42.6Very low162 Ų162159.2 Ų159.280%0.79881%0.811SS**  trans-98.1171.1-152.8-54-179.3-162.600116.4
412S45.9Very low42.6Very low111 Ų111162.9 Ų162.978%0.77681%0.814SS**  trans84150149.183.20000118.3
413L44.1Very low43.1Very low166 Ų166163.5 Ų163.587%0.86983%0.825SS**  cis-169.4156.6-30-115.2165.7000107.7
414D49.4Very low43.5Very low239 Ų239164.7 Ų164.7100%1.27884%0.836SS**  trans70.30175.9-143.953.7000116.1

Retrieved 414 of 414 residues in 539.5 ms (Link to these results)

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