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DNA-directed RNA polymerases I, II, and III subunit RPABC2

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II, and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively. Pol II is the central component of the basal RNA polymerase II transcription machinery. Pols are composed of mobile elements that move relative to each other. In Pol II, POLR2F/RPABC2 is part of the clamp element and together with parts of POLR2A/RPB1 and POLR2B/RPB2 forms a pocket to which the POLR2D/RPB4-POLR2G/RPB7 subcomplex binds.

AlphaFold DB , UniProt , Accession B9ELF2, Species SALSA (Salmo salar, Atlantic salmon), Gene RPAB2, Length 127 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
1M45.2Very low53.5Low240 Ų240150.1 Ų150.1100%1.18284%0.837SS**  0113.90-68.6-177.8170.200104.7
2S55.8Low53.8Low125 Ų125149.9 Ų149.987%0.87483%0.833SS**  trans-89.2122.3179-80.60000108.4N4S2-N4 PolarHBondContact O-N 2.99Å
3D53.4Low53.5Low160 Ų160153.2 Ų153.286%0.85683%0.834SS**  trans-63.9123169.4-63.3-54.8000109.1
4N60.5Low53Low151 Ų151151.2 Ų151.281%0.80782%0.822SS**  trans-105.997.8174.3-179.196.1000107.7S2 G6S2-N4 PolarHBondContact O-N 2.99Å; N4-G6 PolarHBondContact O-N 2.87Å
5E62.1Low53Low192 Ų192150.7 Ų150.790%0.89782%0.818SS**  trans-59.6120.3167.9-61.6-173.9139.800108.9
6G50.3Low53.1Low65 Ų65147.1 Ų147.167%0.6782%0.815SS**  trans-132.892-176.800000110.6N4N4-G6 PolarHBondContact O-N 2.87Å
7D55Low53.2Low152 Ų152148.6 Ų148.681%0.81382%0.815SS**  trans63.4106.5141.5-129.436.4000118.8D9D7-D9 PolarHBondContact O-N 2.72Å
8F54.3Low53.1Low208 Ų208150.1 Ų150.191%0.91282%0.815SS**  trans-68.5101.9158.1-78.1-103.9000108.1D10F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.38Å
9D51.1Low53Low150 Ų150149.4 Ų149.480%0.80281%0.811SS**  trans-82.386.5165.9-167.430.8000108.2D7 G11D7-D9 PolarHBondContact O-N 2.72Å; D9-G11 PolarHBondContact O-N 2.72Å
10D56Low52.9Low152 Ų152151.8 Ų151.881%0.81382%0.816SS**  trans-67.975.7163.9-169.663.3000107.7F8 D12F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.38Å; D10-D12 VanDerWaalsContact C-N 3.29Å; D10-D12 PolarHBondContact O-N 3.05Å
11G45.4Very low52.6Low56 Ų56147.2 Ų147.258%0.57781%0.805SS**  trans-75.383.9173.400000110.1D9 F13D9-G11 PolarHBondContact O-N 2.72Å; G11-F13 PolarHBondContact O-N 3.27Å
12D56.3Low52.9Low148 Ų148141.5 Ų141.579%0.79178%0.779SS**  trans-42.7101.3153.1-173.727.1000109.1D10D10-D12 VanDerWaalsContact C-N 3.29Å; D10-D12 PolarHBondContact O-N 3.05Å
13F50.3Low52.4Low193 Ų193142.1 Ų142.185%0.84677%0.772SS**  trans-120.777.9170-157.5-92.6000108G11G11-F13 PolarHBondContact O-N 3.27Å
14D46.8Very low52.2Low125 Ų125142.4 Ų142.467%0.66877%0.774SS**  trans38.898.7136.3-131.715.4000114.3A16D14-A16 PolarHBondContact O-N 3.18Å
15D52.7Low52Low143 Ų143140.7 Ų140.777%0.76576%0.764SS**  trans-13.791.3147.4-162.131.1000112.1E17D15-E17 PolarHBondContact O-N 2.75Å
16A55Low51.5Low93 Ų93139.3 Ų139.377%0.76976%0.757SS**  trans-73.286.9172.100000106.7D14 E18D14-A16 PolarHBondContact O-N 3.18Å; A16-E18 PolarHBondContact O-N 2.76Å; A16-E18 VanDerWaalsContact O-N 3.09Å
17E54.3Low51.6Low174 Ų174143.6 Ų143.681%0.81377%0.765SS**  trans7.892.2159-59.9-90.6161.500111.1D15 D19D15-E17 PolarHBondContact O-N 2.75Å; E17-D19 PolarHBondContact O-N 2.96Å
18E51.7Low51.5Low175 Ų175138.9 Ų138.982%0.81874%0.742SS**  trans-49.5117.4164-111.4174.3-179.600106.6A16 E20A16-E18 PolarHBondContact O-N 2.76Å; A16-E18 VanDerWaalsContact O-N 3.09Å; E18-E20 VanDerWaalsContact C-N 3.26Å; E18-E20 PolarHBondContact O-N 2.99Å
19D50.4Low51.1Low137 Ų137136.7 Ų136.773%0.73373%0.734SS**  trans-54.187.9176.8-178.538.3000109.2E17 G21E17-D19 PolarHBondContact O-N 2.96Å; D19-G21 PolarHBondContact O-N 3.24Å
20E51.7Low51Low196 Ų196135 Ų13592%0.91673%0.725SS**THydrogen-bonded Turntrans-70.451.4176.9-71.8-158.3179.100111.2E18E18-E20 VanDerWaalsContact C-N 3.26Å; E18-E20 PolarHBondContact O-N 2.99Å
21G47Very low50.5Low57 Ų57136 Ų13659%0.58873%0.725SS**THydrogen-bonded Turntrans-113.6-4.217300000113.9D19D19-G21 PolarHBondContact O-N 3.24Å
22L51.1Low50.7Low119 Ų119138 Ų13862%0.62372%0.723SS**SBendtrans-103.1-10.1-171.2-104.4119.3000115.6D24L22-D24 VanDerWaalsContact C-N 3.31Å; L22-D24 PolarHBondContact O-N 2.52Å
23D45.3Very low50.4Low139 Ų139136.7 Ų136.774%0.74371%0.712SS**G310 helixtrans-77-14.3-171.1-127.922.7000113.9L25D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.15Å
24D49.4Very low50.6Low166 Ų166135.9 Ų135.989%0.88871%0.71SS**G310 helixtrans-89.311.4179.9-152.328.7000113.5L22L22-D24 VanDerWaalsContact C-N 3.31Å; L22-D24 PolarHBondContact O-N 2.52Å
25L54.8Low51.8Low114 Ų114133 Ų13360%0.59770%0.695SS**G310 helixtrans-101.5-6178.1-82158.7000114D23 N27 V28D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.15Å; L25-N27 VanDerWaalsContact C-N 3.28Å; L25-N27 PolarHBondContact O-N 3.41Å; L25-V28 HydrophobicContact CD2-CG2 4.32Å
26E52.3Low53Low163 Ų163127.7 Ų127.776%0.76267%0.668SS**THydrogen-bonded Turntrans-76.6-5.7-171.8-69-154.9150.800115.4
27N52.9Low54.5Low156 Ų156127.8 Ų127.883%0.83465%0.651SS**THydrogen-bonded Turntrans-12430.1-179.2-91.2-43.3000114.4L25 E29L25-N27 VanDerWaalsContact C-N 3.28Å; L25-N27 PolarHBondContact O-N 3.41Å; N27-E29 PolarHBondContact O-N 2.6Å; N27-E29 VanDerWaalsContact O-N 3.14Å
28V52.1Low55.9Low52 Ų52121 Ų12132%0.31562%0.62SS.*  trans-80.595.1166.2-153.50000107.3L25 D30 Y60L25-V28 HydrophobicContact CD2-CG2 4.32Å; V28-D30 PolarHBondContact O-N 3.25Å; V28-Y60 HydrophobicContact CG1-CE1 3.78Å
29E46.8Very low57.5Low162 Ų162113 Ų11376%0.75758%0.583SS**  trans-44.6111.8165.7-66.2173153.300107.9N27 E31N27-E29 PolarHBondContact O-N 2.6Å; N27-E29 VanDerWaalsContact O-N 3.14Å; E29-E31 PolarHBondContact O-N 2.95Å
30D47.9Very low59Low114 Ų114109.7 Ų109.761%0.6157%0.569SS**G310 helixtrans-62.61.4-174.9-74.1-62.9000113.5V28 D32 Q33V28-D30 PolarHBondContact O-N 3.25Å; D30-D32 PolarHBondContact O-N 2.83Å; D30-Q33 PolarHBondContact O-N 2.64Å; D30-Q33 PolarHBondContact OD1-NE2 3.11Å
31E45.8Very low60Low173 Ų173103.3 Ų103.381%0.80855%0.549SS*.G310 helixtrans-69.6-16.6-174.4-63.1-157.6158.600113.8E29E29-E31 PolarHBondContact O-N 2.95Å
32D49.1Very low60.9Low100 Ų100104.2 Ų104.254%0.53556%0.559SS.*G310 helixtrans-94.1-5-179.5-78.9-33.6000114.6D30 E34D30-D32 PolarHBondContact O-N 2.83Å; D32-E34 PolarHBondContact O-N 3.16Å
33Q50.5Low61.6Low120 Ų120103.9 Ų103.956%0.56155%0.554SS**SBendtrans-73.7-25.1-170-67.8-175.81800114.2D30D30-Q33 PolarHBondContact O-N 2.64Å; D30-Q33 PolarHBondContact OD1-NE2 3.11Å
34E54.4Low62.3Low175 Ų17599.1 Ų99.182%0.81854%0.538SS*.SBendtrans-92.3-15.8-173.6-65.2-159.916600114.7D32 V36D32-E34 PolarHBondContact O-N 3.16Å; E34-V36 PolarHBondContact O-N 2.83Å
35N72.9Confident62.7Low66 Ų6695.8 Ų95.835%0.35353%0.527SS..SBendtrans-86.6-1.7-171.1-7273.8000114.7Y109N35-Y109 PolarHBondContact ND2-O 2.93Å; N35-Y109 WeakPolarHBondContact O-CD2 3.16Å; N35-Y109 PolarHBondContact O-N 3.32Å
36V78.3Confident62.8Low30 Ų3094.4 Ų94.418%0.18252%0.518CS..EExtended strand (participates in β ladder)trans-127.8134.6-177.6-178.30000111.5E34 E61 R64 I106 R107E34-V36 PolarHBondContact O-N 2.83Å; V36-E61 HydrophobicContact CG1-CG 4.25Å; V36-R64 PolarHBondContact O-NH1 3.31Å; V36-I106 HydrophobicContact CG1-CG2 3.64Å; V36-R107 CarbonylContact C-O 3.6Å; V36-R107 VanDerWaalsContact CA-O 3.3Å; V36-R107 WeakPolarHBondContact CA-O 3.46Å
37K86.2Confident62.8Low96 Ų9691 Ų9142%0.41752%0.518SS..EExtended strand (participates in β ladder)trans-124.7137.5173-178.5177.8-174.3-1740111.5L39 R107 Y109K37-L39 HydrophobicContact CD-CD2 3.86Å; K37-L39 HydrophobicContact CG-CD2 4.01Å; K37-L39 HydrophobicContact CG-CG 4.36Å; K37-R107 HydrophobicContact CB-CB 4.18Å; K37-R107 PolarHBondContact N-O 3.43Å; K37-R107 PolarHBondContact O-N 3.48Å; K37-Y109 HydrophobicContact CB-CE2 3.89Å
38I84Confident62.8Low30 Ų3091.4 Ų91.415%0.15452%0.52CS..EExtended strand (participates in β ladder)trans-95125.8176.7-58.4-55.5000109.3R64 V65 T68 I104 I106I38-R64 HydrophobicContact CD1-CG 4.33Å; I38-R64 HydrophobicContact CG1-CG 3.88Å; I38-V65 HydrophobicContact CD1-CG2 3.93Å; I38-T68 HydrophobicContact CG2-CG2 4.03Å; I38-I104 HydrophobicContact CD1-CG2 4.48Å; I38-I104 HydrophobicContact CG2-CD1 4.19Å; I38-I104 HydrophobicContact CG2-CG1 4.42Å; I38-I104 HydrophobicContact CG2-CG2 3.37Å; I38-I106 HydrophobicContact CD1-CG1 3.99Å
39L84.6Confident63.4Low9 Ų994.4 Ų94.45%0.04753%0.53CS..EExtended strand (participates in β ladder)trans-125.3153.1-177.4-61.4175.9000110.7K37 I104 I105 R107K37-L39 HydrophobicContact CD-CD2 3.86Å; K37-L39 HydrophobicContact CG-CD2 4.01Å; K37-L39 HydrophobicContact CG-CG 4.36Å; L39-I104 CarbonylContact O-C 3.57Å; L39-I104 WeakPolarHBondContact O-CA 3.35Å; L39-I105 HydrophobicContact CB-CB 4.19Å; L39-I105 PolarHBondContact N-O 3.21Å; L39-I105 PolarHBondContact O-N 2.99Å; L39-R107 HydrophobicContact CD1-CB 4.07Å
40P82.2Confident64.8Low67 Ų6796.4 Ų96.444%0.43554%0.537SS..EExtended strand (participates in β ladder)trans-70152.5171.329.2-33.3000111.6G42 E43P40-G42 PolarHBondContact O-N 3.5Å; P40-E43 HydrophobicContact CG-CG 4.01Å; P40-E43 PolarHBondContact O-N 2.86Å
41A71.7Confident66.5Low62 Ų6294.6 Ų94.651%0.51252%0.521SS..THydrogen-bonded Turntrans-60.87.7-175.600000117.7P103A41-P103 HydrophobicContact CB-CB 3.98Å; A41-P103 WeakPolarHBondContact CB-O 3.42Å; A41-P103 PolarHBondContact N-O 2.89Å
42G65.9Low68.6Low76 Ų7692.6 Ų92.678%0.78452%0.515SS*.THydrogen-bonded Turntrans-110.6-7.6176.100000115.2P40P40-G42 PolarHBondContact O-N 3.5Å
43E66.6Low70.6Confident112 Ų11289.4 Ų89.452%0.52350%0.499SS..  trans-100.9-1.8-173-70.2-179.9-169.900114.1P40 S45P40-E43 HydrophobicContact CG-CG 4.01Å; P40-E43 PolarHBondContact O-N 2.86Å; E43-S45 PolarHBondContact O-N 3.24Å
44G60.2Low72.5Confident39 Ų3987.2 Ų87.240%0.40249%0.494SS..  trans-69.8110.5176.900000111
45S57.5Low74.3Confident96 Ų9684 Ų8467%0.67148%0.479SS*.  trans-103.2-2.7-164.4-140.90000115.2E43 D117E43-S45 PolarHBondContact O-N 3.24Å; S45-D117 PolarHBondContact N-OD2 2.7Å
46Q56.8Low75.4Confident84 Ų8486.2 Ų86.239%0.39348%0.483SS..  trans-143.373.9-170-65.5-172.9-32.100114.3N48 Q49Q46-N48 PolarHBondContact O-N 3.32Å; Q46-Q49 HydrophobicContact CB-CG 4.49Å; Q46-Q49 VanDerWaalsContact OE1-CD 3.31Å
47A51.9Low76.1Confident92 Ų9285.2 Ų85.276%0.7648%0.476SS*.THydrogen-bonded Turntrans-70.216.4173.800000115.1
48N52.7Low76.5Confident164 Ų16483.1 Ų83.188%0.87747%0.472SS*.THydrogen-bonded Turntrans-150.328.3-172.3-96.7-53.6000115Q46Q46-N48 PolarHBondContact O-N 3.32Å
49Q65.9Low76.9Confident115 Ų11588.9 Ų88.954%0.53750%0.496SS..SBendtrans-101.8141.5165.2-66.4-169.17.900109.7Q46 R51Q46-Q49 HydrophobicContact CB-CG 4.49Å; Q46-Q49 VanDerWaalsContact OE1-CD 3.31Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-R51 PolarHBondContact O-N 2.9Å
50K76.2Confident77.3Confident205 Ų20593.4 Ų93.489%0.89151%0.513SS*.  trans-66.793.7178.8-170.5-179.4-176.1-174.10108.5
51R84.1Confident77.8Confident75 Ų7590.5 Ų90.528%0.28349%0.494SS..  trans-66.6138.5178.4-59-174.1-169.9152.9-6.4110.3Q49 E116 D117 W118 E122Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-R51 PolarHBondContact O-N 2.9Å; R51-E116 WeakPolarHBondContact CA-OE1 3.38Å; R51-E116 HydrophobicContact CB-CG 4.49Å; R51-E116 HydrophobicContact CG-CG 4.35Å; R51-D117 PolarHBondContact NE-O 3.28Å; R51-D117 PolarHBondContact NH2-O 3.21Å; R51-W118 HydrophobicContact CB-CH2 4.43Å; R51-W118 HydrophobicContact CB-CZ2 3.81Å; R51-W118 VanDerWaalsContact CD-CE2 3.47Å; R51-W118 VanDerWaalsContact CD-CZ2 3.4Å; R51-W118 HydrophobicContact CG-CZ2 4.25Å; R51-E122 IonicContact CZ-OE1 3.43Å; R51-E122 IonicContact CZ-OE2 3.69Å; R51-E122 IonicContact NH1-OE1 3.83Å; R51-E122 PolarHBondContact NH1-OE1 3Å; R51-E122 IonicContact NH1-OE2 3.14Å; R51-E122 PolarHBondContact NH1-OE2 2.94Å; R51-E122 IonicContact NH2-OE1 3.05Å; R51-E122 PolarHBondContact NH2-OE1 3.22Å; R51-E122 IonicContact NH2-OE2 3.68Å
52I89Confident78.8Confident131 Ų13191.4 Ų91.467%0.67248%0.484SS*.  trans-110-19.817960.3164.3000112.5L110 E116I52-L110 HydrophobicContact CD1-CD1 3.89Å; I52-L110 HydrophobicContact CD1-CD2 4.08Å; I52-L110 HydrophobicContact CG1-CD1 4.12Å; I52-L110 HydrophobicContact CG1-CD2 4.32Å; I52-E116 VanDerWaalsContact CG1-OE1 3.23Å; I52-E116 WeakPolarHBondContact CG1-OE1 3.36Å; I52-E116 PolarHBondContact N-OE1 3.17Å
53T90.1Very high80.2Confident34 Ų3490.8 Ų90.821%0.20947%0.471CS..SBendtrans-73.2160.417970.10000111.9R108 L110 E116 W118T53-R108 WeakPolarHBondContact OG1-CD 3.27Å; T53-R108 PolarHBondContact OG1-NH1 3.43Å; T53-R108 VanDerWaalsContact OG1-NH1 3.11Å; T53-L110 HydrophobicContact CG2-CD2 3.77Å; T53-E116 VanDerWaalsContact CB-OE2 3.24Å; T53-E116 WeakPolarHBondContact CB-OE2 3.03Å; T53-E116 VanDerWaalsContact CG2-OE2 3.29Å; T53-E116 WeakPolarHBondContact CG2-OE2 3.34Å; T53-E116 PolarHBondContact N-OE1 3.45Å; T53-E116 PolarHBondContact N-OE2 3.38Å; T53-E116 VanDerWaalsContact N-OE2 3.15Å; T53-E116 PolarHBondContact OG1-OE2 3.22Å; T53-W118 PolarHBondContact OG1-NE1 2.9Å
54T92Very high81.5Confident74 Ų7490.7 Ų90.745%0.45447%0.466SS..  trans-62.2140.2-175.6-179.20000112.7Y56 R108T54-Y56 PolarHBondContact O-N 3.14Å; T54-Y56 VanDerWaalsContact O-N 3.16Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.47Å; T54-Y56 PolarHBondContact OG1-N 3.48Å; T54-R108 PolarHBondContact O-NH1 2.93Å
55Q92.6Very high83.1Confident108 Ų10888.8 Ų88.851%0.50545%0.447SS..SBendtrans-741173.763.3-17686.500113.9W118 I124Q55-W118 HydrophobicContact CB-CH2 4.29Å; Q55-W118 HydrophobicContact CB-CZ3 4.32Å; Q55-I124 HydrophobicContact CG-CD1 4.12Å; Q55-I124 PolarHBondContact O-N 3.18Å
56Y94.4Very high84.9Confident112 Ų11284.9 Ų84.944%0.43942%0.418SS..BIsolated β-bridgetrans-91.3137.6178.6-67.6-92.4000110.7T54 R108 I124 T126T54-Y56 PolarHBondContact O-N 3.14Å; T54-Y56 VanDerWaalsContact O-N 3.16Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.47Å; T54-Y56 PolarHBondContact OG1-N 3.48Å; Y56-R108 PolarHBondContact O-NH2 2.87Å; Y56-I124 CarbonylContact C-O 3.46Å; Y56-I124 WeakPolarHBondContact CA-O 3.47Å; Y56-I124 HydrophobicContact CD1-CB 3.8Å; Y56-I124 HydrophobicContact CD1-CG2 3.69Å; Y56-I124 HydrophobicContact CE1-CB 4.07Å; Y56-I124 HydrophobicContact CE1-CD1 4.32Å; Y56-I124 HydrophobicContact CE1-CG2 3.62Å; Y56-I124 HydrophobicContact CG-CB 4.37Å; Y56-T126 HydrophobicContact CD1-CG2 3.81Å; Y56-T126 HydrophobicContact CE1-CG2 4.1Å
57M93.6Very high86.8Confident8 Ų882.9 Ų82.94%0.03942%0.42CS..PPolyproline II helixtrans-73.3130171.1-172.5176.5-77.400109E61 R62 L97 I106 C120 L123 I124 I125M57-E61 WeakPolarHBondContact CA-OE2 3.29Å; M57-E61 HydrophobicContact CG-CB 3.85Å; M57-R62 HydrophobicContact CG-CB 4.26Å; M57-R62 HydrophobicContact SD-CB 3.84Å; M57-L97 HydrophobicContact CE-CD1 4.3Å; M57-L97 HydrophobicContact SD-CD1 4.45Å; M57-I106 HydrophobicContact CE-CD1 3.94Å; M57-C120 HydrophobicContact CE-CB 4.35Å; M57-L123 HydrophobicContact CB-CB 4.06Å; M57-L123 HydrophobicContact CB-CD1 4.29Å; M57-L123 HydrophobicContact CE-CB 4.1Å; M57-L123 HydrophobicContact CE-CD1 3.9Å; M57-L123 HydrophobicContact CG-CD1 4.4Å; M57-I124 PolarHBondContact N-O 3.24Å; M57-I125 HydrophobicContact CB-CG1 4.43Å; M57-I125 HydrophobicContact CE-CG1 4.33Å; M57-I125 HydrophobicContact SD-CG1 4.06Å
58T93.9Very high88.9Confident53 Ų5380.6 Ų80.633%0.32540%0.397SS..PPolyproline II helixtrans-76.4158176.3750000110.7Y60 E61 R62T58-Y60 PolarHBondContact O-N 2.74Å; T58-E61 PolarHBondContact N-OE2 2.89Å; T58-E61 PolarHBondContact O-N 2.77Å; T58-E61 WeakPolarHBondContact OG1-CB 3.19Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.1Å; T58-E61 PolarHBondContact OG1-N 2.83Å; T58-E61 VanDerWaalsContact OG1-N 3.08Å; T58-R62 PolarHBondContact O-N 2.78Å
59K92.7Very high91Very high151 Ų15173.1 Ų73.166%0.65736%0.356SS*.Hα-helixtrans-57.8-34.7174.864.3179.3-176.5173.30112.3A63K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.08Å
60Y92.5Very high92.5Very high104 Ų10468.2 Ų68.241%0.40834%0.335SS..Hα-helixtrans-70.9-42.4178.4-53-69.5000112.1V28 T58 A63 R64V28-Y60 HydrophobicContact CG1-CE1 3.78Å; T58-Y60 PolarHBondContact O-N 2.74Å; Y60-A63 PolarHBondContact O-N 3.41Å; Y60-R64 WeakPolarHBondContact O-CB 3.23Å; Y60-R64 PolarHBondContact O-N 2.83Å
61E93.8Very high93.5Very high5 Ų563.5 Ų63.52%0.02332%0.319CS..Hα-helixtrans-61.8-46.8174-74.8167168.400111.2V36 M57 T58 A63 R64 V65 I106 R108V36-E61 HydrophobicContact CG1-CG 4.25Å; M57-E61 WeakPolarHBondContact CA-OE2 3.29Å; M57-E61 HydrophobicContact CG-CB 3.85Å; T58-E61 PolarHBondContact N-OE2 2.89Å; T58-E61 PolarHBondContact O-N 2.77Å; T58-E61 WeakPolarHBondContact OG1-CB 3.19Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.1Å; T58-E61 PolarHBondContact OG1-N 2.83Å; T58-E61 VanDerWaalsContact OG1-N 3.08Å; E61-A63 PolarHBondContact O-N 2.78Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-V65 WeakPolarHBondContact O-CB 3.35Å; E61-V65 VanDerWaalsContact O-CG2 3.24Å; E61-V65 WeakPolarHBondContact O-CG2 3.21Å; E61-V65 PolarHBondContact O-N 3.46Å; E61-I106 HydrophobicContact CB-CD1 3.95Å; E61-I106 HydrophobicContact CG-CD1 4.25Å; E61-I106 HydrophobicContact CG-CG2 3.96Å; E61-R108 IonicContact OE1-CZ 2.96Å; E61-R108 VanDerWaalsContact OE1-CZ 3.31Å; E61-R108 IonicContact OE1-NE 2.86Å; E61-R108 PolarHBondContact OE1-NE 2.85Å; E61-R108 IonicContact OE1-NH2 3.31Å; E61-R108 PolarHBondContact OE1-NH2 3.14Å; E61-R108 VanDerWaalsContact OE1-NH2 3.14Å; E61-R108 IonicContact OE2-CZ 2.75Å; E61-R108 IonicContact OE2-NE 3.77Å; E61-R108 IonicContact OE2-NH2 3.71Å; E61-R108 PolarHBondContact OE2-NH2 3.25Å
62R93.1Very high94.1Very high82 Ų8262.9 Ų62.931%0.30932%0.32SS..Hα-helixtrans-56.2-50.1176.2176175.8164.6-169.3-5.5111.1M57 T58 R64 V65 L66 L97 T126 D127M57-R62 HydrophobicContact CG-CB 4.26Å; M57-R62 HydrophobicContact SD-CB 3.84Å; T58-R62 PolarHBondContact O-N 2.78Å; R62-R64 PolarHBondContact O-N 3.5Å; R62-V65 PolarHBondContact O-N 3.44Å; R62-L66 HydrophobicContact CG-CD1 4.05Å; R62-L66 WeakPolarHBondContact O-CB 3.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.4Å; R62-L66 PolarHBondContact O-N 2.97Å; R62-L97 HydrophobicContact CG-CD2 4.03Å; R62-T126 PolarHBondContact NH1-O 3.33Å; R62-D127 PolarHBondContact NH1-OXT 3.46Å
63A93.8Very high94.4Very high63 Ų6357.5 Ų57.552%0.52129%0.292SS..Hα-helixtrans-59.7-46.1178.200000111.8K59 Y60 E61 L66 G67K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.08Å; Y60-A63 PolarHBondContact O-N 3.41Å; E61-A63 PolarHBondContact O-N 2.78Å; A63-L66 PolarHBondContact O-N 3.04Å; A63-G67 PolarHBondContact O-N 3.38Å
64R94Very high94.7Very high109 Ų10958.7 Ų58.741%0.41131%0.306SS..Hα-helixtrans-68.6-39.2-178.3-165.4175.1-177.3174.8-3.3112.9V36 I38 Y60 E61 R62 T68V36-R64 PolarHBondContact O-NH1 3.31Å; I38-R64 HydrophobicContact CD1-CG 4.33Å; I38-R64 HydrophobicContact CG1-CG 3.88Å; Y60-R64 WeakPolarHBondContact O-CB 3.23Å; Y60-R64 PolarHBondContact O-N 2.83Å; E61-R64 PolarHBondContact O-N 2.82Å; R62-R64 PolarHBondContact O-N 3.5Å; R64-T68 VanDerWaalsContact O-CB 3.26Å; R64-T68 WeakPolarHBondContact O-CB 3.33Å; R64-T68 PolarHBondContact O-N 3.34Å; R64-T68 PolarHBondContact O-OG1 3.35Å
65V94.9Very high94.9Very high0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-63.8-47.6175.1168.70000110.2I38 E61 R62 R69 I102 I104 I106I38-V65 HydrophobicContact CD1-CG2 3.93Å; E61-V65 WeakPolarHBondContact O-CB 3.35Å; E61-V65 VanDerWaalsContact O-CG2 3.24Å; E61-V65 WeakPolarHBondContact O-CG2 3.21Å; E61-V65 PolarHBondContact O-N 3.46Å; R62-V65 PolarHBondContact O-N 3.44Å; V65-R69 WeakPolarHBondContact O-CB 3.39Å; V65-R69 PolarHBondContact O-N 2.98Å; V65-I102 HydrophobicContact CG1-CD1 3.74Å; V65-I102 HydrophobicContact CG1-CG2 3.95Å; V65-I104 HydrophobicContact CG1-CD1 4.39Å; V65-I104 HydrophobicContact CG2-CG2 4.2Å; V65-I106 HydrophobicContact CG2-CD1 3.83Å; V65-I106 HydrophobicContact CG2-CG1 3.9Å
66L95.9Very high95Very high14 Ų1462.6 Ų62.67%0.07333%0.332CS..Hα-helixtrans-61.7-47177.2-72.3173.5000111.6R62 A63 R69 A70 L90 A93 M94 L97R62-L66 HydrophobicContact CG-CD1 4.05Å; R62-L66 WeakPolarHBondContact O-CB 3.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.4Å; R62-L66 PolarHBondContact O-N 2.97Å; A63-L66 PolarHBondContact O-N 3.04Å; L66-R69 PolarHBondContact O-N 2.77Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.24Å; L66-L90 HydrophobicContact CB-CD1 4.14Å; L66-A93 HydrophobicContact CD2-CB 4.17Å; L66-M94 HydrophobicContact CD1-CG 4.27Å; L66-M94 HydrophobicContact CD2-CB 4.42Å; L66-M94 HydrophobicContact CD2-CG 3.94Å; L66-L97 HydrophobicContact CD1-CD2 4.17Å; L66-L97 HydrophobicContact CD2-CB 4.02Å; L66-L97 HydrophobicContact CD2-CD2 3.8Å; L66-L97 HydrophobicContact CG-CD2 3.98Å
67G95.9Very high95Very high41 Ų4158.6 Ų58.642%0.42332%0.322SS..Hα-helixtrans-62.5-47.4178.300000112.7A63 R69 A70 L71A63-G67 PolarHBondContact O-N 3.38Å; G67-R69 VanDerWaalsContact C-N 3.32Å; G67-R69 PolarHBondContact O-N 3.14Å; G67-A70 PolarHBondContact O-N 3.26Å; G67-L71 WeakPolarHBondContact O-CB 3.1Å; G67-L71 PolarHBondContact O-N 3.08Å
68T96.3Very high95.1Very high44 Ų4463.3 Ų63.327%0.2735%0.353SS..Hα-helixtrans-61.9-43.2177.5-55.70000110.8I38 R64 L71 Q72 I104I38-T68 HydrophobicContact CG2-CG2 4.03Å; R64-T68 VanDerWaalsContact O-CB 3.26Å; R64-T68 WeakPolarHBondContact O-CB 3.33Å; R64-T68 PolarHBondContact O-N 3.34Å; R64-T68 PolarHBondContact O-OG1 3.35Å; T68-L71 PolarHBondContact O-N 2.99Å; T68-Q72 WeakPolarHBondContact O-CG 3.23Å; T68-Q72 PolarHBondContact O-N 3.47Å; T68-I104 HydrophobicContact CG2-CD1 4.32Å
69R96.9Very high95.1Very high7 Ų763.1 Ų63.13%0.02635%0.352CS..Hα-helixtrans-71.2-41.2-178.4-173.755.4178.2159.59.3112.3V65 L66 G67 L71 Q72 I73 P78 A93 E96 I102 I104V65-R69 WeakPolarHBondContact O-CB 3.39Å; V65-R69 PolarHBondContact O-N 2.98Å; L66-R69 PolarHBondContact O-N 2.77Å; G67-R69 VanDerWaalsContact C-N 3.32Å; G67-R69 PolarHBondContact O-N 3.14Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 2.84Å; R69-Q72 VanDerWaalsContact CD-OE1 3.3Å; R69-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R69-Q72 WeakPolarHBondContact O-CB 3.36Å; R69-Q72 PolarHBondContact O-N 2.68Å; R69-I73 HydrophobicContact CG-CD1 4.03Å; R69-I73 WeakPolarHBondContact O-CG1 3.16Å; R69-I73 PolarHBondContact O-N 2.88Å; R69-P78 PolarHBondContact NH2-O 3.34Å; R69-A93 HydrophobicContact CB-CB 4.06Å; R69-A93 HydrophobicContact CG-CB 3.98Å; R69-E96 WeakPolarHBondContact CG-OE2 3.44Å; R69-E96 IonicContact CZ-OE1 3.72Å; R69-E96 IonicContact CZ-OE2 2.8Å; R69-E96 IonicContact NE-OE1 3.76Å; R69-E96 IonicContact NE-OE2 3.14Å; R69-E96 PolarHBondContact NE-OE2 3.43Å; R69-E96 IonicContact NH2-OE1 3.4Å; R69-E96 PolarHBondContact NH2-OE1 3.33Å; R69-E96 IonicContact NH2-OE2 2.77Å; R69-E96 PolarHBondContact NH2-OE2 2.97Å; R69-E96 VanDerWaalsContact NH2-OE2 3.14Å; R69-I102 HydrophobicContact CB-CD1 4.41Å; R69-I102 HydrophobicContact CB-CG2 4.38Å; R69-I102 HydrophobicContact CG-CD1 4.27Å; R69-I102 HydrophobicContact CG-CG1 4.41Å; R69-I102 HydrophobicContact CG-CG2 4.17Å; R69-I104 HydrophobicContact CB-CD1 4.05Å
70A96.9Very high95.1Very high12 Ų1260.3 Ų60.310%0.09934%0.342CS..Hα-helixtrans-58.7-43.2173.800000111L66 G67 Q72 I73 A74 P89 L90 A93L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.24Å; G67-A70 PolarHBondContact O-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.17Å; A70-I73 PolarHBondContact O-N 2.77Å; A70-A74 WeakPolarHBondContact O-CB 3.4Å; A70-A74 PolarHBondContact O-N 2.78Å; A70-P89 HydrophobicContact CB-CB 4.3Å; A70-P89 WeakPolarHBondContact O-CB 3.39Å; A70-L90 HydrophobicContact CB-CB 4.23Å; A70-L90 HydrophobicContact CB-CD1 4.25Å; A70-A93 HydrophobicContact CB-CB 4.23Å
71L96.6Very high95.1Very high106 Ų10656.1 Ų56.156%0.55533%0.327SS*.Hα-helixtrans-60.9-44.9174.6178.761.3000112G67 T68 R69 I73 A74 M75G67-L71 WeakPolarHBondContact O-CB 3.1Å; G67-L71 PolarHBondContact O-N 3.08Å; T68-L71 PolarHBondContact O-N 2.99Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 2.84Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 2.91Å; L71-A74 WeakPolarHBondContact O-CB 3.41Å; L71-A74 PolarHBondContact O-N 2.82Å; L71-M75 HydrophobicContact CD1-CG 4.4Å; L71-M75 HydrophobicContact CD1-SD 4.27Å; L71-M75 HydrophobicContact CG-SD 4.24Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.39Å
72Q96.4Very high95.1Very high63 Ų6363.7 Ų63.729%0.29436%0.363SS..Hα-helixtrans-58.3-45.8175.6-71.5171.90.500111.6T68 R69 A70 A74 M75 C76 A77T68-Q72 WeakPolarHBondContact O-CG 3.23Å; T68-Q72 PolarHBondContact O-N 3.47Å; R69-Q72 VanDerWaalsContact CD-OE1 3.3Å; R69-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R69-Q72 WeakPolarHBondContact O-CB 3.36Å; R69-Q72 PolarHBondContact O-N 2.68Å; A70-Q72 PolarHBondContact O-N 3.17Å; Q72-A74 VanDerWaalsContact C-N 3.35Å; Q72-A74 PolarHBondContact O-N 2.87Å; Q72-M75 CarbonylContact O-C 3.4Å; Q72-M75 WeakPolarHBondContact O-CA 3.43Å; Q72-M75 PolarHBondContact O-N 2.79Å; Q72-M75 VanDerWaalsContact O-N 3.13Å; Q72-C76 PolarHBondContact O-N 2.65Å; Q72-A77 HydrophobicContact CB-CB 3.86Å; Q72-A77 WeakPolarHBondContact O-CB 3.35Å; Q72-A77 PolarHBondContact O-N 2.83Å
73I96.5Very high95Very high17 Ų1764.2 Ų64.29%0.08737%0.371CS..Hα-helixtrans-62.5-42.7178-66.5161.2000110.6R69 A70 L71 M75 C76 V79 P89 I92 A93R69-I73 HydrophobicContact CG-CD1 4.03Å; R69-I73 WeakPolarHBondContact O-CG1 3.16Å; R69-I73 PolarHBondContact O-N 2.88Å; A70-I73 PolarHBondContact O-N 2.77Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 2.91Å; I73-M75 PolarHBondContact O-N 3.03Å; I73-C76 WeakPolarHBondContact O-CA 3.44Å; I73-C76 PolarHBondContact O-N 2.85Å; I73-V79 HydrophobicContact CG1-CG2 4.36Å; I73-V79 HydrophobicContact CG2-CG2 4.25Å; I73-P89 HydrophobicContact CB-CB 4.14Å; I73-P89 HydrophobicContact CG2-CB 3.96Å; I73-I92 HydrophobicContact CD1-CB 4.05Å; I73-I92 HydrophobicContact CD1-CG2 3.73Å; I73-I92 HydrophobicContact CG2-CD1 4.09Å; I73-I92 HydrophobicContact CG2-CG2 4.47Å; I73-A93 HydrophobicContact CD1-CB 4.04Å
74A96.1Very high94.8Very high60 Ų6068.5 Ų68.550%0.49638%0.38SS..Hα-helixtrans-60.4-32.7175.100000112.3A70 L71 Q72 C76 P89A70-A74 WeakPolarHBondContact O-CB 3.4Å; A70-A74 PolarHBondContact O-N 2.78Å; L71-A74 WeakPolarHBondContact O-CB 3.41Å; L71-A74 PolarHBondContact O-N 2.82Å; Q72-A74 VanDerWaalsContact C-N 3.35Å; Q72-A74 PolarHBondContact O-N 2.87Å; A74-C76 PolarHBondContact O-N 2.82Å; A74-P89 HydrophobicContact CB-CB 4.28Å; A74-P89 HydrophobicContact CB-CG 3.99Å
75M96.6Very high94.5Very high145 Ų14566.5 Ų66.571%0.71439%0.394SS*.THydrogen-bonded Turntrans-82.421.9172-62.6178.673.700113.2L71 Q72 I73 A77L71-M75 HydrophobicContact CD1-CG 4.4Å; L71-M75 HydrophobicContact CD1-SD 4.27Å; L71-M75 HydrophobicContact CG-SD 4.24Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.39Å; Q72-M75 CarbonylContact O-C 3.4Å; Q72-M75 WeakPolarHBondContact O-CA 3.43Å; Q72-M75 PolarHBondContact O-N 2.79Å; Q72-M75 VanDerWaalsContact O-N 3.13Å; I73-M75 PolarHBondContact O-N 3.03Å; M75-A77 VanDerWaalsContact C-N 3.27Å; M75-A77 PolarHBondContact O-N 3.46Å
76C93.5Very high94.4Very high119 Ų11969 Ų6980%0.80441%0.406SS*.THydrogen-bonded Turntrans60.428.4179.2-52.70000114.5Q72 I73 A74Q72-C76 PolarHBondContact O-N 2.65Å; I73-C76 WeakPolarHBondContact O-CA 3.44Å; I73-C76 PolarHBondContact O-N 2.85Å; A74-C76 PolarHBondContact O-N 2.82Å
77A95.3Very high94.1Very high28 Ų2874.7 Ų74.723%0.23144%0.441CS..PPolyproline II helixtrans-65152.1172.100000111.4Q72 M75 V79Q72-A77 HydrophobicContact CB-CB 3.86Å; Q72-A77 WeakPolarHBondContact O-CB 3.35Å; Q72-A77 PolarHBondContact O-N 2.83Å; M75-A77 VanDerWaalsContact C-N 3.27Å; M75-A77 PolarHBondContact O-N 3.46Å; A77-V79 PolarHBondContact O-N 2.9Å
78P95Very high94.1Very high106 Ų10676.1 Ų76.169%0.68844%0.439SS*.PPolyproline II helixtrans-60.5131179-22.833.5000112.2R69R69-P78 PolarHBondContact NH2-O 3.34Å
79V94.6Very high94.2Very high50 Ų5075.8 Ų75.830%0.30344%0.437SS..PPolyproline II helixtrans-86.6139.5175.5179.80000110I73 A77 V81 L83 I92 E96I73-V79 HydrophobicContact CG1-CG2 4.36Å; I73-V79 HydrophobicContact CG2-CG2 4.25Å; A77-V79 PolarHBondContact O-N 2.9Å; V79-V81 HydrophobicContact CG1-CG2 3.87Å; V79-V81 WeakPolarHBondContact CG1-O 3.48Å; V79-L83 HydrophobicContact CG1-CD2 4.06Å; V79-I92 HydrophobicContact CB-CG2 4.49Å; V79-I92 HydrophobicContact CG1-CG2 3.55Å; V79-I92 HydrophobicContact CG2-CG2 4.05Å; V79-E96 WeakPolarHBondContact CA-OE1 3.46Å; V79-E96 WeakPolarHBondContact CG1-OE1 3.38Å
80M92.3Very high94.1Very high91 Ų9178.6 Ų78.645%0.44845%0.453SS..SBendtrans-98.6-5.8-172.9-57-58.6-68.200113.8E96 K101 P103M80-E96 PolarHBondContact N-OE1 3.31Å; M80-K101 HydrophobicContact CB-CB 3.91Å; M80-K101 WeakPolarHBondContact CB-O 3.46Å; M80-K101 WeakPolarHBondContact CG-O 3.45Å; M80-K101 WeakPolarHBondContact O-CD 3.41Å; M80-P103 HydrophobicContact CG-CG 4.27Å
81V93.6Very high94.1Very high16 Ų1682.8 Ų82.810%0.09747%0.47CS..SBendtrans-120.4160.8178.2-66.70000111.1V79 K95 E96 C99 K101V79-V81 HydrophobicContact CG1-CG2 3.87Å; V79-V81 WeakPolarHBondContact CG1-O 3.48Å; V81-K95 HydrophobicContact CG2-CB 4.34Å; V81-K95 HydrophobicContact CG2-CD 4.12Å; V81-K95 HydrophobicContact CG2-CG 4.11Å; V81-E96 HydrophobicContact CB-CG 4.31Å; V81-E96 HydrophobicContact CG1-CB 4.42Å; V81-E96 HydrophobicContact CG1-CG 3.93Å; V81-E96 HydrophobicContact CG2-CG 3.58Å; V81-C99 HydrophobicContact CG1-CB 3.82Å; V81-K101 HydrophobicContact CG1-CB 4.36Å; V81-K101 HydrophobicContact CG1-CD 4.04Å
82E92.2Very high94Very high165 Ų16578.2 Ų78.277%0.77145%0.446SS*.  trans-74.8133.9173-68.3174.5-167.500110.1K95E82-K95 WeakPolarHBondContact O-CE 3.5Å; E82-K95 PolarHBondContact O-NZ 2.91Å
83L90.9Very high94Very high92 Ų9275.2 Ų75.248%0.48243%0.432SS..  trans-86.7127.1176-58.8179.3000109.2V79 E86 I92V79-L83 HydrophobicContact CG1-CD2 4.06Å; L83-E86 WeakPolarHBondContact CA-OE2 3.3Å; L83-I92 HydrophobicContact CD2-CB 4.43Å; L83-I92 HydrophobicContact CD2-CD1 3.83Å; L83-I92 HydrophobicContact CD2-CG1 3.71Å; L83-I92 HydrophobicContact CD2-CG2 3.85Å
84E90.1Very high94Very high153 Ų15377.4 Ų77.472%0.71544%0.443SS*.SBendtrans-109.831177.7-69.8167.1-125.400111E86 K95E84-E86 PolarHBondContact N-OE2 3.17Å; E84-K95 VanDerWaalsContact CD-NZ 3.29Å; E84-K95 IonicContact OE1-NZ 3.83Å; E84-K95 PolarHBondContact OE1-NZ 2.95Å
85G88.8Confident93.9Very high67 Ų6776.2 Ų76.269%0.69143%0.426SS*.SBendtrans101.46.2-178.100000114.4T87G85-T87 PolarHBondContact O-N 3.48Å
86E91.4Very high93.8Very high54 Ų5469.3 Ų69.325%0.25239%0.392SS..  trans-68.5123.7170.6-54.486.2168.200110.2L83 E84 I92 K95L83-E86 WeakPolarHBondContact CA-OE2 3.3Å; E84-E86 PolarHBondContact N-OE2 3.17Å; E86-I92 HydrophobicContact CB-CG1 3.8Å; E86-K95 WeakPolarHBondContact OE1-CD 3.29Å; E86-K95 IonicContact OE1-NZ 2.7Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 IonicContact OE2-NZ 3.24Å
87T91.3Very high93.9Very high133 Ų13364.1 Ų64.182%0.81636%0.357SS*.  trans-106.7-23.7175.556.60000112.5G85G85-T87 PolarHBondContact O-N 3.48Å
88D96.1Very high93.8Very high71 Ų7171.1 Ų71.138%0.3838%0.382SS..  trans-78.6123.8-178.1173.753000111.1L90 Q91 I92D88-L90 PolarHBondContact O-N 2.82Å; D88-L90 VanDerWaalsContact OD2-CB 3.32Å; D88-L90 WeakPolarHBondContact OD2-CB 3.42Å; D88-L90 PolarHBondContact OD2-N 3.26Å; D88-Q91 HydrophobicContact CB-CB 4.13Å; D88-Q91 HydrophobicContact CB-CG 3.95Å; D88-Q91 PolarHBondContact O-N 2.94Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.4Å; D88-Q91 PolarHBondContact OD2-N 3.45Å; D88-I92 WeakPolarHBondContact O-CG1 3.43Å; D88-I92 PolarHBondContact O-N 2.73Å
89P96.4Very high93.7Very high36 Ų3669.3 Ų69.323%0.23437%0.371CS..Hα-helixtrans-57.2-33.9179.7-26.535000113.9A70 I73 A74 I92 A93A70-P89 HydrophobicContact CB-CB 4.3Å; A70-P89 WeakPolarHBondContact O-CB 3.39Å; I73-P89 HydrophobicContact CB-CB 4.14Å; I73-P89 HydrophobicContact CG2-CB 3.96Å; A74-P89 HydrophobicContact CB-CB 4.28Å; A74-P89 HydrophobicContact CB-CG 3.99Å; P89-I92 PolarHBondContact O-N 3.41Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.41Å
90L96.3Very high93.6Very high67 Ų6773 Ų7335%0.35138%0.379SS..Hα-helixtrans-71.6-43.6179.3178.765.4000111.1L66 A70 D88 I92 A93 M94L66-L90 HydrophobicContact CB-CD1 4.14Å; A70-L90 HydrophobicContact CB-CB 4.23Å; A70-L90 HydrophobicContact CB-CD1 4.25Å; D88-L90 PolarHBondContact O-N 2.82Å; D88-L90 VanDerWaalsContact OD2-CB 3.32Å; D88-L90 WeakPolarHBondContact OD2-CB 3.42Å; D88-L90 PolarHBondContact OD2-N 3.26Å; L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 3.01Å; L90-A93 PolarHBondContact O-N 3.48Å; L90-M94 HydrophobicContact CD1-CE 4.18Å; L90-M94 HydrophobicContact CD2-CE 4Å; L90-M94 HydrophobicContact CG-CE 3.87Å; L90-M94 WeakPolarHBondContact O-CG 3.34Å; L90-M94 PolarHBondContact O-N 2.93Å
91Q95.7Very high93.6Very high100 Ų10074 Ų7447%0.46738%0.381SS..Hα-helixtrans-57.6-42172.2-68.9-50.8-64.800112.1D88 M94 K95D88-Q91 HydrophobicContact CB-CB 4.13Å; D88-Q91 HydrophobicContact CB-CG 3.95Å; D88-Q91 PolarHBondContact O-N 2.94Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.4Å; D88-Q91 PolarHBondContact OD2-N 3.45Å; Q91-M94 PolarHBondContact O-N 3.26Å; Q91-K95 PolarHBondContact O-N 2.74Å
92I96.1Very high93.7Very high9 Ų973.6 Ų73.65%0.04638%0.378CS..Hα-helixtrans-63.5-45.6176.6-61166.9000110.4I73 V79 L83 E86 D88 P89 L90 M94 K95 E96I73-I92 HydrophobicContact CD1-CB 4.05Å; I73-I92 HydrophobicContact CD1-CG2 3.73Å; I73-I92 HydrophobicContact CG2-CD1 4.09Å; I73-I92 HydrophobicContact CG2-CG2 4.47Å; V79-I92 HydrophobicContact CB-CG2 4.49Å; V79-I92 HydrophobicContact CG1-CG2 3.55Å; V79-I92 HydrophobicContact CG2-CG2 4.05Å; L83-I92 HydrophobicContact CD2-CB 4.43Å; L83-I92 HydrophobicContact CD2-CD1 3.83Å; L83-I92 HydrophobicContact CD2-CG1 3.71Å; L83-I92 HydrophobicContact CD2-CG2 3.85Å; E86-I92 HydrophobicContact CB-CG1 3.8Å; D88-I92 WeakPolarHBondContact O-CG1 3.43Å; D88-I92 PolarHBondContact O-N 2.73Å; P89-I92 PolarHBondContact O-N 3.41Å; L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 3.01Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.37Å; I92-K95 WeakPolarHBondContact O-CB 3.46Å; I92-K95 PolarHBondContact O-N 2.8Å; I92-K95 VanDerWaalsContact O-N 3.17Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.43Å
93A96.3Very high93.7Very high0 Ų067.7 Ų67.70%035%0.354CS..Hα-helixtrans-61.2-40.2175.900000112.3L66 R69 A70 I73 P89 L90 K95 E96 L97L66-A93 HydrophobicContact CD2-CB 4.17Å; R69-A93 HydrophobicContact CB-CB 4.06Å; R69-A93 HydrophobicContact CG-CB 3.98Å; A70-A93 HydrophobicContact CB-CB 4.23Å; I73-A93 HydrophobicContact CD1-CB 4.04Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.48Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.14Å; A93-E96 PolarHBondContact O-N 3.37Å; A93-L97 PolarHBondContact O-N 2.87Å
94M94.9Very high93.8Very high63 Ų6363.4 Ų63.431%0.3133%0.332SS..Hα-helixtrans-62.3-41174.2-71.1-168.9-169.500111.7L66 L90 Q91 I92 L97 K98L66-M94 HydrophobicContact CD1-CG 4.27Å; L66-M94 HydrophobicContact CD2-CB 4.42Å; L66-M94 HydrophobicContact CD2-CG 3.94Å; L90-M94 HydrophobicContact CD1-CE 4.18Å; L90-M94 HydrophobicContact CD2-CE 4Å; L90-M94 HydrophobicContact CG-CE 3.87Å; L90-M94 WeakPolarHBondContact O-CG 3.34Å; L90-M94 PolarHBondContact O-N 2.93Å; Q91-M94 PolarHBondContact O-N 3.26Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.37Å; M94-L97 PolarHBondContact O-N 2.73Å; M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.43Å
95K95.1Very high93.9Very high35 Ų3557 Ų5715%0.15230%0.302CS..Hα-helixtrans-63-44.3175.3-168.4175.7-171174.90111.2V81 E82 E84 E86 Q91 I92 A93 L97 K98 C99V81-K95 HydrophobicContact CG2-CB 4.34Å; V81-K95 HydrophobicContact CG2-CD 4.12Å; V81-K95 HydrophobicContact CG2-CG 4.11Å; E82-K95 WeakPolarHBondContact O-CE 3.5Å; E82-K95 PolarHBondContact O-NZ 2.91Å; E84-K95 VanDerWaalsContact CD-NZ 3.29Å; E84-K95 IonicContact OE1-NZ 3.83Å; E84-K95 PolarHBondContact OE1-NZ 2.95Å; E86-K95 WeakPolarHBondContact OE1-CD 3.29Å; E86-K95 IonicContact OE1-NZ 2.7Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 IonicContact OE2-NZ 3.24Å; Q91-K95 PolarHBondContact O-N 2.74Å; I92-K95 WeakPolarHBondContact O-CB 3.46Å; I92-K95 PolarHBondContact O-N 2.8Å; I92-K95 VanDerWaalsContact O-N 3.17Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.14Å; K95-L97 PolarHBondContact O-N 2.69Å; K95-K98 PolarHBondContact O-N 3.31Å; K95-C99 PolarHBondContact O-N 2.85Å; K95-C99 PolarHBondContact O-SG 3.48Å; K95-C99 VanDerWaalsContact O-SG 3.41Å
96E95.3Very high94.1Very high0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-62-40.2174.7-70.7-172164.700113R69 V79 M80 V81 I92 A93 C99 R100 K101 I102R69-E96 WeakPolarHBondContact CG-OE2 3.44Å; R69-E96 IonicContact CZ-OE1 3.72Å; R69-E96 IonicContact CZ-OE2 2.8Å; R69-E96 IonicContact NE-OE1 3.76Å; R69-E96 IonicContact NE-OE2 3.14Å; R69-E96 PolarHBondContact NE-OE2 3.43Å; R69-E96 IonicContact NH2-OE1 3.4Å; R69-E96 PolarHBondContact NH2-OE1 3.33Å; R69-E96 IonicContact NH2-OE2 2.77Å; R69-E96 PolarHBondContact NH2-OE2 2.97Å; R69-E96 VanDerWaalsContact NH2-OE2 3.14Å; V79-E96 WeakPolarHBondContact CA-OE1 3.46Å; V79-E96 WeakPolarHBondContact CG1-OE1 3.38Å; M80-E96 PolarHBondContact N-OE1 3.31Å; V81-E96 HydrophobicContact CB-CG 4.31Å; V81-E96 HydrophobicContact CG1-CB 4.42Å; V81-E96 HydrophobicContact CG1-CG 3.93Å; V81-E96 HydrophobicContact CG2-CG 3.58Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.43Å; A93-E96 PolarHBondContact O-N 3.37Å; E96-C99 CarbonylContact O-C 3.53Å; E96-C99 PolarHBondContact O-N 2.94Å; E96-R100 PolarHBondContact O-N 3.06Å; E96-K101 PolarHBondContact O-N 3.46Å; E96-I102 HydrophobicContact CB-CD1 4.36Å; E96-I102 HydrophobicContact CB-CG1 3.61Å
97L94.3Very high94.2Very high10 Ų1052.7 Ų52.75%0.05226%0.263CS..Hα-helixtrans-63.8-45.4177-173.764.1000110.9M57 R62 L66 A93 M94 K95 C99 R100 I102 I125M57-L97 HydrophobicContact CE-CD1 4.3Å; M57-L97 HydrophobicContact SD-CD1 4.45Å; R62-L97 HydrophobicContact CG-CD2 4.03Å; L66-L97 HydrophobicContact CD1-CD2 4.17Å; L66-L97 HydrophobicContact CD2-CB 4.02Å; L66-L97 HydrophobicContact CD2-CD2 3.8Å; L66-L97 HydrophobicContact CG-CD2 3.98Å; A93-L97 PolarHBondContact O-N 2.87Å; M94-L97 PolarHBondContact O-N 2.73Å; K95-L97 PolarHBondContact O-N 2.69Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.2Å; L97-R100 PolarHBondContact O-N 3.39Å; L97-I102 HydrophobicContact CB-CD1 3.61Å; L97-I102 HydrophobicContact CB-CG1 4.36Å; L97-I102 HydrophobicContact CD1-CD1 3.91Å; L97-I102 HydrophobicContact CG-CD1 4.31Å; L97-I125 HydrophobicContact CD1-CD1 3.66Å; L97-I125 HydrophobicContact CD2-CD1 4.27Å; L97-I125 HydrophobicContact CG-CD1 3.73Å
98K92.9Very high94.2Very high175 Ų17547.1 Ų47.176%0.76123%0.227SC*.Hα-helixtrans-60.1-38.6176-74.2176.9-179.6179.40112M94 K95 R100M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.43Å; K95-K98 PolarHBondContact O-N 3.31Å; K98-R100 VanDerWaalsContact C-N 3.25Å; K98-R100 PolarHBondContact O-N 2.81Å
99C93.1Very high94Very high68 Ų6847.3 Ų47.346%0.45922%0.223SC..THydrogen-bonded Turntrans-79.6-1.8174.9-66.60000114.1V81 K95 E96 L97 K101V81-C99 HydrophobicContact CG1-CB 3.82Å; K95-C99 PolarHBondContact O-N 2.85Å; K95-C99 PolarHBondContact O-SG 3.48Å; K95-C99 VanDerWaalsContact O-SG 3.41Å; E96-C99 CarbonylContact O-C 3.53Å; E96-C99 PolarHBondContact O-N 2.94Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.2Å; C99-K101 HydrophobicContact CB-CB 4.47Å; C99-K101 HydrophobicContact CB-CD 4.44Å; C99-K101 HydrophobicContact CB-CG 4.15Å; C99-K101 PolarHBondContact O-N 2.88Å
100R92.4Very high93.7Very high128 Ų12847.1 Ų47.148%0.48322%0.22SC..THydrogen-bonded Turntrans52.539.1-173.6-58.4-164.4-175.4-1752.7113.7E96 L97 K98 D121E96-R100 PolarHBondContact O-N 3.06Å; L97-R100 PolarHBondContact O-N 3.39Å; K98-R100 VanDerWaalsContact C-N 3.25Å; K98-R100 PolarHBondContact O-N 2.81Å; R100-D121 HydrophobicContact CB-CB 4.34Å; R100-D121 WeakPolarHBondContact CD-O 3.33Å; R100-D121 PolarHBondContact NH1-O 2.85Å
101K93.5Very high93.4Very high111 Ų11150.4 Ų50.448%0.48325%0.245SC..  trans-111.19.2-178-72.1-166.9-179.4177.60114.1M80 V81 E96 C99 P103M80-K101 HydrophobicContact CB-CB 3.91Å; M80-K101 WeakPolarHBondContact CB-O 3.46Å; M80-K101 WeakPolarHBondContact CG-O 3.45Å; M80-K101 WeakPolarHBondContact O-CD 3.41Å; V81-K101 HydrophobicContact CG1-CB 4.36Å; V81-K101 HydrophobicContact CG1-CD 4.04Å; E96-K101 PolarHBondContact O-N 3.46Å; C99-K101 HydrophobicContact CB-CB 4.47Å; C99-K101 HydrophobicContact CB-CD 4.44Å; C99-K101 HydrophobicContact CB-CG 4.15Å; C99-K101 PolarHBondContact O-N 2.88Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å
102I94Very high92.8Very high8 Ų851.6 Ų51.64%0.04126%0.255CS..  trans-69.2122.3177.1-64-170.8000109.4V65 R69 E96 L97 I104 C120V65-I102 HydrophobicContact CG1-CD1 3.74Å; V65-I102 HydrophobicContact CG1-CG2 3.95Å; R69-I102 HydrophobicContact CB-CD1 4.41Å; R69-I102 HydrophobicContact CB-CG2 4.38Å; R69-I102 HydrophobicContact CG-CD1 4.27Å; R69-I102 HydrophobicContact CG-CG1 4.41Å; R69-I102 HydrophobicContact CG-CG2 4.17Å; E96-I102 HydrophobicContact CB-CD1 4.36Å; E96-I102 HydrophobicContact CB-CG1 3.61Å; L97-I102 HydrophobicContact CB-CD1 3.61Å; L97-I102 HydrophobicContact CB-CG1 4.36Å; L97-I102 HydrophobicContact CD1-CD1 3.91Å; L97-I102 HydrophobicContact CG-CD1 4.31Å; I102-I104 HydrophobicContact CG2-CB 3.65Å; I102-I104 HydrophobicContact CG2-CD1 3.64Å; I102-I104 HydrophobicContact CG2-CG1 3.62Å; I102-I104 PolarHBondContact O-N 3.42Å; I102-C120 HydrophobicContact CB-CB 4.47Å
103P93.3Very high92.4Very high41 Ų4153.8 Ų53.827%0.26628%0.279SS..  trans-83.154.5-178.835.5-35.1000111.5A41 M80 K101A41-P103 HydrophobicContact CB-CB 3.98Å; A41-P103 WeakPolarHBondContact CB-O 3.42Å; A41-P103 PolarHBondContact N-O 2.89Å; M80-P103 HydrophobicContact CG-CG 4.27Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å
104I92.6Very high92Very high3 Ų356 Ų562%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-127.9142.4-176.7-70.4178000110.7I38 L39 V65 T68 R69 I102 C120I38-I104 HydrophobicContact CD1-CG2 4.48Å; I38-I104 HydrophobicContact CG2-CD1 4.19Å; I38-I104 HydrophobicContact CG2-CG1 4.42Å; I38-I104 HydrophobicContact CG2-CG2 3.37Å; L39-I104 CarbonylContact O-C 3.57Å; L39-I104 WeakPolarHBondContact O-CA 3.35Å; V65-I104 HydrophobicContact CG1-CD1 4.39Å; V65-I104 HydrophobicContact CG2-CG2 4.2Å; T68-I104 HydrophobicContact CG2-CD1 4.32Å; R69-I104 HydrophobicContact CB-CD1 4.05Å; I102-I104 HydrophobicContact CG2-CB 3.65Å; I102-I104 HydrophobicContact CG2-CD1 3.64Å; I102-I104 HydrophobicContact CG2-CG1 3.62Å; I102-I104 PolarHBondContact O-N 3.42Å; I104-C120 PolarHBondContact O-N 2.77Å; I104-C120 VanDerWaalsContact O-N 3.14Å; I104-C120 PolarHBondContact O-SG 3.03Å
105I92.8Very high91.8Very high18 Ų1856.9 Ų56.99%0.09230%0.295CS..EExtended strand (participates in β ladder)trans-113135.1172.2-63.3169.9000108.7L39 D117 W118L39-I105 HydrophobicContact CB-CB 4.19Å; L39-I105 PolarHBondContact N-O 3.21Å; L39-I105 PolarHBondContact O-N 2.99Å; I105-D117 HydrophobicContact CG2-CB 3.86Å; I105-W118 CarbonylContact C-O 3.59Å; I105-W118 WeakPolarHBondContact CA-O 3.43Å
106I92.4Very high91.6Very high0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-97.1114.8172.8-65.7161.4000107.8V36 I38 M57 E61 V65 R108 W118 L123V36-I106 HydrophobicContact CG1-CG2 3.64Å; I38-I106 HydrophobicContact CD1-CG1 3.99Å; M57-I106 HydrophobicContact CE-CD1 3.94Å; E61-I106 HydrophobicContact CB-CD1 3.95Å; E61-I106 HydrophobicContact CG-CD1 4.25Å; E61-I106 HydrophobicContact CG-CG2 3.96Å; V65-I106 HydrophobicContact CG2-CD1 3.83Å; V65-I106 HydrophobicContact CG2-CG1 3.9Å; I106-R108 HydrophobicContact CG2-CG 4.16Å; I106-W118 PolarHBondContact N-O 3.24Å; I106-W118 PolarHBondContact O-N 3.36Å; I106-L123 HydrophobicContact CD1-CD1 3.46Å; I106-L123 VanDerWaalsContact CD1-CD1 3.46Å
107R93Very high91.5Very high31 Ų3156.6 Ų56.612%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-93.3117.2170.8174.2168.8-67.5176.61.7109.5V36 K37 L39 Y109 Y115 E116 D117V36-R107 CarbonylContact C-O 3.6Å; V36-R107 VanDerWaalsContact CA-O 3.3Å; V36-R107 WeakPolarHBondContact CA-O 3.46Å; K37-R107 HydrophobicContact CB-CB 4.18Å; K37-R107 PolarHBondContact N-O 3.43Å; K37-R107 PolarHBondContact O-N 3.48Å; L39-R107 HydrophobicContact CD1-CB 4.07Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.48Å; R107-Y109 HydrophobicContact CG-CE2 4.01Å; R107-Y115 HydrophobicContact CG-CD2 3.9Å; R107-Y115 HydrophobicContact CG-CG 3.96Å; R107-E116 CarbonylContact C-O 3.53Å; R107-E116 WeakPolarHBondContact CA-O 3.39Å; R107-D117 WeakPolarHBondContact CB-OD1 3.34Å; R107-D117 WeakPolarHBondContact CG-OD1 3.48Å; R107-D117 IonicContact CZ-OD1 2.83Å; R107-D117 IonicContact CZ-OD2 2.68Å; R107-D117 IonicContact NE-OD1 3.64Å; R107-D117 PolarHBondContact NE-OD1 2.99Å; R107-D117 IonicContact NE-OD2 2.65Å; R107-D117 IonicContact NH2-OD1 2.82Å; R107-D117 PolarHBondContact NH2-OD1 2.73Å; R107-D117 IonicContact NH2-OD2 3.33Å; R107-D117 PolarHBondContact NH2-OD2 3.41Å
108R92.9Very high91.4Very high16 Ų1657.2 Ų57.26%0.0630%0.297CS..EExtended strand (participates in β ladder)trans-98.9123.5175.2-65.2176.9175.6171.9-4.5110.2T53 T54 Y56 E61 I106 Y115 E116T53-R108 WeakPolarHBondContact OG1-CD 3.27Å; T53-R108 PolarHBondContact OG1-NH1 3.43Å; T53-R108 VanDerWaalsContact OG1-NH1 3.11Å; T54-R108 PolarHBondContact O-NH1 2.93Å; Y56-R108 PolarHBondContact O-NH2 2.87Å; E61-R108 IonicContact OE1-CZ 2.96Å; E61-R108 VanDerWaalsContact OE1-CZ 3.31Å; E61-R108 IonicContact OE1-NE 2.86Å; E61-R108 PolarHBondContact OE1-NE 2.85Å; E61-R108 IonicContact OE1-NH2 3.31Å; E61-R108 PolarHBondContact OE1-NH2 3.14Å; E61-R108 VanDerWaalsContact OE1-NH2 3.14Å; E61-R108 IonicContact OE2-CZ 2.75Å; E61-R108 IonicContact OE2-NE 3.77Å; E61-R108 IonicContact OE2-NH2 3.71Å; E61-R108 PolarHBondContact OE2-NH2 3.25Å; I106-R108 HydrophobicContact CG2-CG 4.16Å; R108-Y115 CarbonylContact O-C 3.56Å; R108-Y115 WeakPolarHBondContact O-CA 3.44Å; R108-Y115 WeakPolarHBondContact O-CB 3.34Å; R108-E116 PolarHBondContact N-O 2.97Å; R108-E116 PolarHBondContact O-N 3.04Å
109Y90.9Very high91.4Very high74 Ų7449.3 Ų49.329%0.2927%0.265SS..EExtended strand (participates in β ladder)trans-89.4130.5175.7-68.3-84000110.8N35 K37 R107 S114 Y115N35-Y109 PolarHBondContact ND2-O 2.93Å; N35-Y109 WeakPolarHBondContact O-CD2 3.16Å; N35-Y109 PolarHBondContact O-N 3.32Å; K37-Y109 HydrophobicContact CB-CE2 3.89Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.48Å; R107-Y109 HydrophobicContact CG-CE2 4.01Å; Y109-S114 CarbonylContact C-O 3.54Å; Y109-S114 WeakPolarHBondContact CA-O 3.44Å; Y109-Y115 HydrophobicContact CE1-CD1 4.19Å; Y109-Y115 HydrophobicContact CE1-CG 4.43Å
110L89.8Confident91.3Very high32 Ų3246.2 Ų46.217%0.16824%0.244CC..PPolyproline II helixtrans-85.4159.8173.3-66.6178.5000110.3I52 T53 D112 G113 S114I52-L110 HydrophobicContact CD1-CD1 3.89Å; I52-L110 HydrophobicContact CD1-CD2 4.08Å; I52-L110 HydrophobicContact CG1-CD1 4.12Å; I52-L110 HydrophobicContact CG1-CD2 4.32Å; T53-L110 HydrophobicContact CG2-CD2 3.77Å; L110-D112 WeakPolarHBondContact CB-OD1 3.26Å; L110-D112 PolarHBondContact O-N 3.5Å; L110-D112 VanDerWaalsContact O-N 3.08Å; L110-G113 PolarHBondContact O-N 2.88Å; L110-S114 WeakPolarHBondContact CD1-OG 3.17Å; L110-S114 PolarHBondContact N-O 3.27Å
111P89.3Confident91.1Very high137 Ų13744.7 Ų44.789%0.8925%0.246SC*.THydrogen-bonded Turntrans-60.4-20.6-179.2-2534.9000114.7G113P111-G113 PolarHBondContact O-N 3.29Å
112D85.1Confident91Very high125 Ų12543.2 Ų43.267%0.66824%0.241SC*.THydrogen-bonded Turntrans-82.50.6175.167.3-7.3000113.3L110 S114L110-D112 WeakPolarHBondContact CB-OD1 3.26Å; L110-D112 PolarHBondContact O-N 3.5Å; L110-D112 VanDerWaalsContact O-N 3.08Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact CG-OG 3.28Å; D112-S114 PolarHBondContact O-N 3.43Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.33Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; D112-S114 PolarHBondContact OD2-OG 3.49Å
113G85.8Confident90.9Very high54 Ų5442.9 Ų42.956%0.55724%0.239SC*.SBendtrans81.9-3.4-177.400000114.4L110 P111L110-G113 PolarHBondContact O-N 2.88Å; P111-G113 PolarHBondContact O-N 3.29Å
114S89.1Confident90.9Very high48 Ų4843.5 Ų43.534%0.33624%0.239SC..  trans-71.2169.6169.373.40000110.6Y109 L110 D112Y109-S114 CarbonylContact C-O 3.54Å; Y109-S114 WeakPolarHBondContact CA-O 3.44Å; L110-S114 WeakPolarHBondContact CD1-OG 3.17Å; L110-S114 PolarHBondContact N-O 3.27Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact CG-OG 3.28Å; D112-S114 PolarHBondContact O-N 3.43Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.33Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; D112-S114 PolarHBondContact OD2-OG 3.49Å
115Y90.8Very high90.7Very high80 Ų8045.8 Ų45.831%0.31425%0.251SS..EExtended strand (participates in β ladder)trans-145.7156.4-177.161.2-95.8000113.5R107 R108 Y109R107-Y115 HydrophobicContact CG-CD2 3.9Å; R107-Y115 HydrophobicContact CG-CG 3.96Å; R108-Y115 CarbonylContact O-C 3.56Å; R108-Y115 WeakPolarHBondContact O-CA 3.44Å; R108-Y115 WeakPolarHBondContact O-CB 3.34Å; Y109-Y115 HydrophobicContact CE1-CD1 4.19Å; Y109-Y115 HydrophobicContact CE1-CG 4.43Å
116E91.4Very high90.1Very high16 Ų1648.9 Ų48.98%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-121.2124174.4-62.1-178.4178.900109.9R51 I52 T53 R107 R108 W118R51-E116 WeakPolarHBondContact CA-OE1 3.38Å; R51-E116 HydrophobicContact CB-CG 4.49Å; R51-E116 HydrophobicContact CG-CG 4.35Å; I52-E116 VanDerWaalsContact CG1-OE1 3.23Å; I52-E116 WeakPolarHBondContact CG1-OE1 3.36Å; I52-E116 PolarHBondContact N-OE1 3.17Å; T53-E116 VanDerWaalsContact CB-OE2 3.24Å; T53-E116 WeakPolarHBondContact CB-OE2 3.03Å; T53-E116 VanDerWaalsContact CG2-OE2 3.29Å; T53-E116 WeakPolarHBondContact CG2-OE2 3.34Å; T53-E116 PolarHBondContact N-OE1 3.45Å; T53-E116 PolarHBondContact N-OE2 3.38Å; T53-E116 VanDerWaalsContact N-OE2 3.15Å; T53-E116 PolarHBondContact OG1-OE2 3.22Å; R107-E116 CarbonylContact C-O 3.53Å; R107-E116 WeakPolarHBondContact CA-O 3.39Å; R108-E116 PolarHBondContact N-O 2.97Å; R108-E116 PolarHBondContact O-N 3.04Å; E116-W118 PolarHBondContact OE2-NE1 3.46Å
117D91.9Very high88.6Confident14 Ų1458.5 Ų58.58%0.07532%0.322CS..EExtended strand (participates in β ladder)trans-91.6121175.5-71-16.8000109.7S45 R51 I105 R107S45-D117 PolarHBondContact N-OD2 2.7Å; R51-D117 PolarHBondContact NE-O 3.28Å; R51-D117 PolarHBondContact NH2-O 3.21Å; I105-D117 HydrophobicContact CG2-CB 3.86Å; R107-D117 WeakPolarHBondContact CB-OD1 3.34Å; R107-D117 WeakPolarHBondContact CG-OD1 3.48Å; R107-D117 IonicContact CZ-OD1 2.83Å; R107-D117 IonicContact CZ-OD2 2.68Å; R107-D117 IonicContact NE-OD1 3.64Å; R107-D117 PolarHBondContact NE-OD1 2.99Å; R107-D117 IonicContact NE-OD2 2.65Å; R107-D117 IonicContact NH2-OD1 2.82Å; R107-D117 PolarHBondContact NH2-OD1 2.73Å; R107-D117 IonicContact NH2-OD2 3.33Å; R107-D117 PolarHBondContact NH2-OD2 3.41Å
118W92.2Very high88.4Confident22 Ų2259.9 Ų59.98%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-117.7122.3177.9-69.587.1000111.2R51 T53 Q55 I105 I106 E116 E122 L123R51-W118 HydrophobicContact CB-CH2 4.43Å; R51-W118 HydrophobicContact CB-CZ2 3.81Å; R51-W118 VanDerWaalsContact CD-CE2 3.47Å; R51-W118 VanDerWaalsContact CD-CZ2 3.4Å; R51-W118 HydrophobicContact CG-CZ2 4.25Å; T53-W118 PolarHBondContact OG1-NE1 2.9Å; Q55-W118 HydrophobicContact CB-CH2 4.29Å; Q55-W118 HydrophobicContact CB-CZ3 4.32Å; I105-W118 CarbonylContact C-O 3.59Å; I105-W118 WeakPolarHBondContact CA-O 3.43Å; I106-W118 PolarHBondContact N-O 3.24Å; I106-W118 PolarHBondContact O-N 3.36Å; E116-W118 PolarHBondContact OE2-NE1 3.46Å; W118-E122 WeakPolarHBondContact CA-OE1 3.39Å; W118-E122 HydrophobicContact CE3-CG 4.08Å; W118-L123 HydrophobicContact CB-CD1 4.03Å; W118-L123 HydrophobicContact CB-CD2 4.07Å; W118-L123 HydrophobicContact CB-CG 4.06Å; W118-L123 HydrophobicContact CD2-CD2 3.81Å; W118-L123 HydrophobicContact CE3-CD2 3.58Å; W118-L123 HydrophobicContact CE3-CG 4.29Å; W118-L123 HydrophobicContact CG-CD2 4.06Å; W118-L123 HydrophobicContact CZ3-CD2 4.27Å
119G92.2Very high88.2Confident9 Ų962.2 Ų62.29%0.09335%0.347CS..EExtended strand (participates in β ladder)trans-65.3143.8168.100000111.6D121 E122 L123G119-D121 WeakPolarHBondContact CA-OD1 3.45Å; G119-D121 PolarHBondContact O-N 3.09Å; G119-E122 PolarHBondContact N-OE1 3.02Å; G119-E122 WeakPolarHBondContact O-CG 3.32Å; G119-E122 PolarHBondContact O-N 2.88Å; G119-L123 PolarHBondContact O-N 2.72Å
120C90.9Very high88Confident3 Ų361.5 Ų61.52%0.0235%0.35CS..THydrogen-bonded Turntrans-62.3-24.7174.8-70.40000112.7M57 I102 I104M57-C120 HydrophobicContact CE-CB 4.35Å; I102-C120 HydrophobicContact CB-CB 4.47Å; I104-C120 PolarHBondContact O-N 2.77Å; I104-C120 VanDerWaalsContact O-N 3.14Å; I104-C120 PolarHBondContact O-SG 3.03Å
121D90.3Very high87.9Confident96 Ų9663.2 Ų63.251%0.51336%0.361SS..THydrogen-bonded Turntrans-76.3-26.9179.661.2-48.2000113.9R100 G119R100-D121 HydrophobicContact CB-CB 4.34Å; R100-D121 WeakPolarHBondContact CD-O 3.33Å; R100-D121 PolarHBondContact NH1-O 2.85Å; G119-D121 WeakPolarHBondContact CA-OD1 3.45Å; G119-D121 PolarHBondContact O-N 3.09Å
122E90.6Very high87.8Confident81 Ų8158.6 Ų58.638%0.37933%0.328SS..THydrogen-bonded Turntrans-89-20.9179.757.9174164.200114.2R51 W118 G119R51-E122 IonicContact CZ-OE1 3.43Å; R51-E122 IonicContact CZ-OE2 3.69Å; R51-E122 IonicContact NH1-OE1 3.83Å; R51-E122 PolarHBondContact NH1-OE1 3Å; R51-E122 IonicContact NH1-OE2 3.14Å; R51-E122 PolarHBondContact NH1-OE2 2.94Å; R51-E122 IonicContact NH2-OE1 3.05Å; R51-E122 PolarHBondContact NH2-OE1 3.22Å; R51-E122 IonicContact NH2-OE2 3.68Å; W118-E122 WeakPolarHBondContact CA-OE1 3.39Å; W118-E122 HydrophobicContact CE3-CG 4.08Å; G119-E122 PolarHBondContact N-OE1 3.02Å; G119-E122 WeakPolarHBondContact O-CG 3.32Å; G119-E122 PolarHBondContact O-N 2.88Å
123L92Very high88Confident0 Ų054.2 Ų54.20%031%0.305CS..SBendtrans-75.7143.8179.4-70.1170.4000112.4M57 I106 W118 G119M57-L123 HydrophobicContact CB-CB 4.06Å; M57-L123 HydrophobicContact CB-CD1 4.29Å; M57-L123 HydrophobicContact CE-CB 4.1Å; M57-L123 HydrophobicContact CE-CD1 3.9Å; M57-L123 HydrophobicContact CG-CD1 4.4Å; I106-L123 HydrophobicContact CD1-CD1 3.46Å; I106-L123 VanDerWaalsContact CD1-CD1 3.46Å; W118-L123 HydrophobicContact CB-CD1 4.03Å; W118-L123 HydrophobicContact CB-CD2 4.07Å; W118-L123 HydrophobicContact CB-CG 4.06Å; W118-L123 HydrophobicContact CD2-CD2 3.81Å; W118-L123 HydrophobicContact CE3-CD2 3.58Å; W118-L123 HydrophobicContact CE3-CG 4.29Å; W118-L123 HydrophobicContact CG-CD2 4.06Å; W118-L123 HydrophobicContact CZ3-CD2 4.27Å; G119-L123 PolarHBondContact O-N 2.72Å
124I92.6Very high88.2Confident54 Ų5454.2 Ų54.228%0.27729%0.287SS..BIsolated β-bridgetrans-83.2119.5172.9-58.9-174.6000109Q55 Y56 M57Q55-I124 HydrophobicContact CG-CD1 4.12Å; Q55-I124 PolarHBondContact O-N 3.18Å; Y56-I124 CarbonylContact C-O 3.46Å; Y56-I124 WeakPolarHBondContact CA-O 3.47Å; Y56-I124 HydrophobicContact CD1-CB 3.8Å; Y56-I124 HydrophobicContact CD1-CG2 3.69Å; Y56-I124 HydrophobicContact CE1-CB 4.07Å; Y56-I124 HydrophobicContact CE1-CD1 4.32Å; Y56-I124 HydrophobicContact CE1-CG2 3.62Å; Y56-I124 HydrophobicContact CG-CB 4.37Å; M57-I124 PolarHBondContact N-O 3.24Å
125I89Confident88.1Confident51 Ų5154.7 Ų54.726%0.26228%0.283SS..PPolyproline II helixtrans-91.2121.9174.4-54.3168.4000107.7M57 L97M57-I125 HydrophobicContact CB-CG1 4.43Å; M57-I125 HydrophobicContact CE-CG1 4.33Å; M57-I125 HydrophobicContact SD-CG1 4.06Å; L97-I125 HydrophobicContact CD1-CD1 3.66Å; L97-I125 HydrophobicContact CD2-CD1 4.27Å; L97-I125 HydrophobicContact CG-CD1 3.73Å
126T79.8Confident87.9Confident84 Ų8452.6 Ų52.652%0.51528%0.281SS..PPolyproline II helixtrans-88.9128.2166.2520000108.2Y56 R62Y56-T126 HydrophobicContact CD1-CG2 3.81Å; Y56-T126 HydrophobicContact CE1-CG2 4.1Å; R62-T126 PolarHBondContact NH1-O 3.33Å
127D62Low87.6Confident201 Ų20155.9 Ų55.9100%1.07530%0.299SS*.  trans-690177.2-163.6-129.4000111.1R62R62-D127 PolarHBondContact NH1-OXT 3.46Å

Retrieved 127 of 127 residues in 79.5 ms (Link to these results)