A0A060D4H1_MAIZE Loading...

Dof zinc finger protein

Transcription factor that binds specifically to a 5'-AA[AG]G-3' consensus core sequence.

AlphaFold DB , UniProt , Accession A0A060D4H1, Species MAIZE (Zea mays, Maize), Gene DOF32, Length 360 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
1M55.6Low54.2Low241 Ų241129.7 Ų129.7100%1.18785%0.851SS**  0137.50-66.3175.1178.500107.1
2A54.1Low54.2Low106 Ų106129.3 Ų129.388%0.87684%0.844SS**  trans48106.6175.400000118.4
3S44.5Very low54.8Low111 Ų111137.7 Ų137.778%0.77685%0.848SS**  trans-83156.3155-47.40000110.1
4T67.1Low55.1Low143 Ų143143.1 Ų143.188%0.87785%0.853SS**  trans152.7128.8130.348.90000111.7
5T51.4Low54.5Low136 Ų136138.7 Ų138.783%0.83485%0.849SS**  trans-68.8150.7165.7-41.90000110.7
6G62.5Low54Low73 Ų73134.3 Ų134.375%0.75384%0.84SS**  trans-146.5124.2169.100000110.6
7D50.2Low53.9Low142 Ų142135.4 Ų135.476%0.75985%0.846SS**  trans-87.2-179.2178-80.9-83.9000112.4
8D49.9Very low53.7Low160 Ų160131.8 Ų131.886%0.85684%0.84SS**  trans70.3108.2161.9-60.6-52.3000119.8
9A54.9Low53.7Low103 Ų103130.3 Ų130.385%0.85184%0.841SS**  -172.5119.3121.700000112.4
10V52.1Low53.4Low141 Ų141128.2 Ų128.286%0.85584%0.844SS**  trans-75.3139.1169.264.10000111.3
11G53.6Low53.2Low71 Ų71125.8 Ų125.873%0.73284%0.842SS**  trans-138.366.9-172.700000115.1
12T54.6Low53.3Low125 Ų125120.6 Ų120.677%0.76782%0.824SS**  trans-89.4120.3-179.9-46.50000112.8
13R61.5Low53.9Low238 Ų238120.8 Ų120.890%0.89882%0.816SS**  trans-145116.4166.8-49.5179.4-168.2-121.12.1105.7
14K59.9Low54.9Low213 Ų213121.1 Ų121.193%0.92682%0.816SS**  cis73.610335.2-161.3178.8-176.3179.60115
15G46Very low54.4Low77 Ų77119.2 Ų119.279%0.79481%0.806SS**  trans148.7130.7156.500000116.5
16G46.7Very low54.3Low68 Ų68119.9 Ų119.970%0.70181%0.81SS**  trans84105.9171.700000113.9
17T52.6Low53.6Low153 Ų153121.5 Ų121.594%0.93981%0.806SS**  cis65.411225.5180000116.4
18G48.8Very low53.4Low71 Ų71121.7 Ų121.773%0.73280%0.802SS**  trans14977.1-178.800000110.3
19A55Low52.8Low104 Ų104120.4 Ų120.486%0.8680%0.8SS**  89.1111.681.600000113.9
20G47.8Very low52Low88 Ų88122.7 Ų122.791%0.90779%0.793SS**  trans56.190.5147.600000119.5
21G47.5Very low51.5Low78 Ų78121.3 Ų121.380%0.80479%0.785SS**  trans-141101.9162.700000110.8
22T59.4Low51Low132 Ų132125.3 Ų125.381%0.8179%0.785SS**PPolyproline II helixtrans-59.8137.4-179-36.30000111.1
23P65.7Low50.9Low109 Ų109124.5 Ų124.571%0.70878%0.781SS**PPolyproline II helixtrans-65.3130.9169.728-33.7000109.4
24P65.2Low50.7Low118 Ų118118 Ų11877%0.76677%0.77SS**PPolyproline II helixtrans-65.5133.2169.527.5-32.3000108.8
25P56.8Low50.5Low104 Ų104113 Ų11368%0.67576%0.759SS**PPolyproline II helixtrans-65.5156.8174.529.1-34.9000110.4T27P25-T27 PolarHBondContact O-N 3.48Å; P25-T27 PolarHBondContact O-OG1 2.71Å
26T49.9Very low50.9Low150 Ų150114.9 Ų114.992%0.9276%0.758SS**  trans-5194.2172.246.20000111.4
27T48.2Very low51.2Low107 Ų107116.7 Ų116.766%0.65676%0.757SS**  trans-102.492.9177.4-32.30000109.8P25P25-T27 PolarHBondContact O-N 3.48Å; P25-T27 PolarHBondContact O-OG1 2.71Å
28Q46Very low51.3Low146 Ų146114.1 Ų114.168%0.68273%0.734SS**  trans61.1110.8156.4-58.6171.925.900116.6Q30Q28-Q30 HydrophobicContact CB-CG 4.39Å; Q28-Q30 PolarHBondContact O-N 2.92Å
29T36.8Very low51.6Low132 Ų132120 Ų12081%0.8174%0.743SS**  trans-53.181.3143.9-43.80000109.2T31T29-T31 PolarHBondContact O-N 3.35Å
30Q38.4Very low52Low152 Ų152116.8 Ų116.871%0.7172%0.719SS**  trans-68.885.2157.9-72.4-169.535.100106.2Q28 Q32Q28-Q30 HydrophobicContact CB-CG 4.39Å; Q28-Q30 PolarHBondContact O-N 2.92Å; Q30-Q32 PolarHBondContact O-N 3.24Å
31T42.2Very low53.5Low111 Ų111114.1 Ų114.168%0.68168%0.684SS**  trans-53.986.3150.6-54.40000105.7T29 P33T29-T31 PolarHBondContact O-N 3.35Å; T31-P33 WeakPolarHBondContact O-CD 3.33Å; T31-P33 VanDerWaalsContact O-N 3.11Å
32Q43Very low55.5Low156 Ų156118.6 Ų118.673%0.72968%0.677SS**PPolyproline II helixtrans-50.1125.1164.7-80.3-166.41.200105Q30 P34Q30-Q32 PolarHBondContact O-N 3.24Å; Q32-P34 WeakPolarHBondContact O-CD 3.1Å
33P51.6Low57.1Low107 Ų107112.3 Ų112.370%0.69564%0.638SS**PPolyproline II helixtrans-50.7122.7169.6-23.833.4000106T31 P35T31-P33 WeakPolarHBondContact O-CD 3.33Å; T31-P33 VanDerWaalsContact O-N 3.11Å; P33-P35 VanDerWaalsContact O-N 3.11Å
34P57Low58.2Low103 Ų103109.9 Ų109.967%0.66962%0.622SS**PPolyproline II helixtrans-51.6128-179.419.8-31.6000107Q32 P36Q32-P34 WeakPolarHBondContact O-CD 3.1Å; P34-P36 VanDerWaalsContact O-N 3.12Å
35P57.1Low59.2Low107 Ų107108.2 Ų108.270%0.69560%0.601SS**PPolyproline II helixtrans-49.2124.4-163.216.3-31.5000108.8P33 P37P33-P35 VanDerWaalsContact O-N 3.11Å; P35-P37 WeakPolarHBondContact O-CA 3.3Å
36P53Low60.9Low117 Ų117105.5 Ų105.576%0.7658%0.584SS**  trans-49.1115.1-15615-30.8000109.3P34 E38P34-P36 VanDerWaalsContact O-N 3.12Å; P36-E38 WeakPolarHBondContact O-CA 3.28Å; P36-E38 PolarHBondContact O-N 3.39Å
37P53.2Low62.9Low105 Ų105103.3 Ų103.368%0.68257%0.567SS**  trans-58.6105.1-149.518.8-33.2000110.2P35 Q39 G40P35-P37 WeakPolarHBondContact O-CA 3.3Å; P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 CarbonylContact O-C 3.55Å; P37-Q39 WeakPolarHBondContact O-CA 3.21Å; P37-Q39 PolarHBondContact O-N 3.19Å; P37-G40 PolarHBondContact O-N 3.05Å
38E55.1Low64.9Low100 Ų10098.9 Ų98.947%0.46754%0.54SS..G310 helixtrans-33.787-159.4-168.6-148.3153.600112.4P36 G40 L41 K77P36-E38 WeakPolarHBondContact O-CA 3.28Å; P36-E38 PolarHBondContact O-N 3.39Å; E38-G40 WeakPolarHBondContact O-CA 3.12Å; E38-G40 PolarHBondContact O-N 3.36Å; E38-L41 PolarHBondContact O-N 3.5Å; E38-K77 IonicContact OE1-NZ 2.63Å; E38-K77 PolarHBondContact OE1-NZ 3.46Å
39Q54.4Low67.2Low194 Ų19496.4 Ų96.491%0.90754%0.536SS*.G310 helixtrans5.568.4-158-74.6165-1300114P37 L41P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 CarbonylContact O-C 3.55Å; P37-Q39 WeakPolarHBondContact O-CA 3.21Å; P37-Q39 PolarHBondContact O-N 3.19Å; Q39-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact O-N 3.1Å
40G63.3Low69.8Low36 Ų3694.1 Ų94.137%0.37152%0.519SS..G310 helixtrans2.778.4-16700000116.4P37 E38 R42P37-G40 PolarHBondContact O-N 3.05Å; E38-G40 WeakPolarHBondContact O-CA 3.12Å; E38-G40 PolarHBondContact O-N 3.36Å; G40-R42 WeakPolarHBondContact O-CG 3.2Å; G40-R42 PolarHBondContact O-N 3.5Å
41L80.6Confident72.4Confident33 Ų3388.5 Ų88.517%0.17350%0.495CS..  trans-56.9102.6-179.3-54.4176.8000111.4E38 Q39 T51 Y66 W75 K77E38-L41 PolarHBondContact O-N 3.5Å; Q39-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact O-N 3.1Å; L41-T51 VanDerWaalsContact O-CG2 3.24Å; L41-T51 WeakPolarHBondContact O-CG2 3.44Å; L41-T51 PolarHBondContact O-OG1 2.84Å; L41-Y66 HydrophobicContact CD1-CD1 4.34Å; L41-Y66 HydrophobicContact CD1-CE1 3.61Å; L41-Y66 HydrophobicContact CD1-CE2 4.28Å; L41-W75 HydrophobicContact CB-CH2 3.6Å; L41-W75 HydrophobicContact CB-CZ2 4.04Å; L41-W75 HydrophobicContact CD1-CH2 4.04Å; L41-W75 HydrophobicContact CG-CH2 4.45Å; L41-K77 HydrophobicContact CD1-CB 4.46Å; L41-K77 HydrophobicContact CD1-CD 3.67Å; L41-K77 HydrophobicContact CD1-CG 4.15Å; L41-K77 HydrophobicContact CD2-CD 4.19Å; L41-K77 HydrophobicContact CD2-CG 4.49Å
42R89.8Confident74.9Confident172 Ų17291 Ų9165%0.64950%0.496SS*.  trans-71142.2-176.6-60-172.1-176.3-1591.8110.2G40 P44G40-R42 WeakPolarHBondContact O-CG 3.2Å; G40-R42 PolarHBondContact O-N 3.5Å; R42-P44 VanDerWaalsContact O-CD 3.3Å; R42-P44 WeakPolarHBondContact O-CD 3.25Å
43C91.4Very high77.3Confident0 Ų087.4 Ų87.40%048%0.479CS..  trans-70.2118.1175.7-176.30000110.2R45 C46 D47 S48 T51 C68 C71C43-R45 PolarHBondContact O-N 2.95Å; C43-C46 PolarHBondContact O-N 3.41Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-D47 WeakPolarHBondContact O-CA 3.28Å; C43-D47 PolarHBondContact O-N 3.18Å; C43-S48 PolarHBondContact N-O 3.23Å; C43-T51 HydrophobicContact CB-CG2 3.77Å; C43-C68 HydrophobicContact CB-CB 3.66Å; C43-C68 VanDerWaalsContact CB-SG 3.53Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C71 VanDerWaalsContact SG-SG 3.64Å
44P89.5Confident79.3Confident57 Ų5785.2 Ų85.237%0.3747%0.465SS..THydrogen-bonded Turntrans-71.820.3-175.432.3-38.8000114.2R42 W75R42-P44 VanDerWaalsContact O-CD 3.3Å; R42-P44 WeakPolarHBondContact O-CD 3.25Å; P44-W75 HydrophobicContact CG-CB 4.5Å; P44-W75 HydrophobicContact CG-CD2 4.43Å; P44-W75 HydrophobicContact CG-CE3 4.22Å
45R86.8Confident81.2Confident83 Ų8385.2 Ų85.231%0.31345%0.453SS..THydrogen-bonded Turntrans-122.1-13.4178.5-63.2-176.1169.6177.6-6.7113.5C43 L81C43-R45 PolarHBondContact O-N 2.95Å; R45-L81 HydrophobicContact CG-CD1 4.21Å
46C91.4Very high83Confident47 Ų4785 Ų8532%0.31844%0.439SS..THydrogen-bonded Turntrans-160.87.5-175.565.50000113.6C43 S48 C68 C71C43-C46 PolarHBondContact O-N 3.41Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C46-S48 PolarHBondContact O-N 2.96Å; C46-C68 VanDerWaalsContact SG-SG 3.62Å; C46-C71 HydrophobicContact CB-CB 4.08Å; C46-C71 PolarHBondContact SG-SG 2.81Å
47D91.5Very high84.8Confident105 Ų10580.6 Ų80.656%0.56141%0.409SS*.  trans54.18.3177.8-51.4-57.6000116.9C43C43-D47 WeakPolarHBondContact O-CA 3.28Å; C43-D47 PolarHBondContact O-N 3.18Å
48S90.9Very high86.6Confident14 Ų1481.4 Ų81.410%0.09841%0.408CS..  trans-62.6132.3177.1175.20000111.5C43 C46 N50 T70C43-S48 PolarHBondContact N-O 3.23Å; C46-S48 PolarHBondContact O-N 2.96Å; S48-N50 PolarHBondContact O-N 3.2Å; S48-N50 WeakPolarHBondContact OG-CB 3.36Å; S48-N50 PolarHBondContact OG-N 2.92Å; S48-T70 WeakPolarHBondContact CB-OG1 3.48Å; S48-T70 WeakPolarHBondContact OG-CB 3.35Å; S48-T70 PolarHBondContact OG-OG1 2.9Å
49P93.9Very high88.2Confident93 Ų9387.5 Ų87.560%0.60443%0.428SS*.SBendtrans-75-7.1170.733.5-36.3000112.4T51P49-T51 PolarHBondContact O-N 2.86Å
50N92.4Very high89.8Confident85 Ų8580 Ų8046%0.45540%0.396SS..  trans-83.669.9-178.3-146.2-87.8000110.8S48 K69S48-N50 PolarHBondContact O-N 3.2Å; S48-N50 WeakPolarHBondContact OG-CB 3.36Å; S48-N50 PolarHBondContact OG-N 2.92Å; N50-K69 HydrophobicContact CB-CB 4.34Å; N50-K69 PolarHBondContact O-N 3.15Å; N50-K69 WeakPolarHBondContact OD1-CB 3.1Å; N50-K69 WeakPolarHBondContact OD1-CD 3.36Å
51T93.3Very high91.1Very high33 Ų3384.6 Ų84.620%0.20241%0.412CS..EExtended strand (participates in β ladder)trans-114.5150.217373.70000110.4L41 C43 P49 F67 C68 W75L41-T51 VanDerWaalsContact O-CG2 3.24Å; L41-T51 WeakPolarHBondContact O-CG2 3.44Å; L41-T51 PolarHBondContact O-OG1 2.84Å; C43-T51 HydrophobicContact CB-CG2 3.77Å; P49-T51 PolarHBondContact O-N 2.86Å; T51-F67 CarbonylContact C-O 3.56Å; T51-F67 VanDerWaalsContact CA-O 3.29Å; T51-F67 WeakPolarHBondContact CA-O 3.39Å; T51-C68 HydrophobicContact CG2-CB 4.15Å; T51-W75 HydrophobicContact CG2-CZ2 3.9Å
52K94.1Very high91.5Very high163 Ų16388.3 Ų88.371%0.70944%0.441SS*.EExtended strand (participates in β ladder)trans-136.7138.5175.8-165.4-166.6173.7179.60109.1Y66 F67K52-Y66 CarbonylContact O-C 3.49Å; K52-Y66 VanDerWaalsContact O-CA 3.26Å; K52-Y66 WeakPolarHBondContact O-CA 3.23Å; K52-F67 PolarHBondContact N-O 2.9Å; K52-F67 PolarHBondContact O-N 3.43Å
53F93.7Very high91.5Very high81 Ų8183.4 Ų83.436%0.35543%0.425SS..EExtended strand (participates in β ladder)trans-55.1139.8163.9174-95.9000110.1Y56 P64 Y66F53-Y56 HydrophobicContact CE1-CE2 4.39Å; F53-Y56 HydrophobicContact CE2-CD1 4.13Å; F53-Y56 HydrophobicContact CE2-CD2 4.45Å; F53-Y56 AromaticContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE2 4.2Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.91Å; F53-Y56 HydrophobicContact CZ-CD1 4.25Å; F53-Y56 AromaticContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CG 4.11Å; F53-Y56 AromaticContact CZ-CZ 3.7Å; F53-P64 HydrophobicContact CD2-CB 3.98Å; F53-P64 HydrophobicContact CE2-CB 3.73Å; F53-Y66 HydrophobicContact CB-CD1 4.3Å; F53-Y66 HydrophobicContact CB-CE1 4.21Å
54C93.9Very high91.6Very high61 Ų6184.6 Ų84.641%0.41243%0.433SS..EExtended strand (participates in β ladder)trans-123.6-52.7-175.4-168.80000112.7R65 F67 Y74C54-R65 PolarHBondContact N-O 3.46Å; C54-F67 HydrophobicContact CB-CB 4.3Å; C54-Y74 HydrophobicContact CB-CE1 4.3Å
55Y95.8Very high91.8Very high104 Ų10484 Ų8441%0.40842%0.423SS..EExtended strand (participates in β ladder)trans-166.1166.6176.966.4-75.5000111.6R65 Y74Y55-R65 HydrophobicContact CD1-CB 4.36Å; Y55-R65 HydrophobicContact CE1-CB 4.28Å; Y55-R65 WeakPolarHBondContact O-CB 3.21Å; Y55-R65 PolarHBondContact O-N 2.9Å; Y55-R65 WeakPolarHBondContact OH-CD 3.32Å; Y55-R65 PolarHBondContact OH-NE 2.87Å; Y55-Y74 HydrophobicContact CE1-CE1 4.42Å
56Y94.8Very high92.1Very high102 Ų10280.9 Ų80.940%0.441%0.412SS..EExtended strand (participates in β ladder)trans-88129.2170.3-66.2-71.9000110.9F53 S60 L61 P64F53-Y56 HydrophobicContact CE1-CE2 4.39Å; F53-Y56 HydrophobicContact CE2-CD1 4.13Å; F53-Y56 HydrophobicContact CE2-CD2 4.45Å; F53-Y56 AromaticContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE2 4.2Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.91Å; F53-Y56 HydrophobicContact CZ-CD1 4.25Å; F53-Y56 AromaticContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CG 4.11Å; F53-Y56 AromaticContact CZ-CZ 3.7Å; Y56-S60 WeakPolarHBondContact CD1-O 3.37Å; Y56-L61 HydrophobicContact CD1-CD2 4.3Å; Y56-L61 HydrophobicContact CD2-CD2 3.9Å; Y56-L61 HydrophobicContact CE1-CB 4.42Å; Y56-L61 HydrophobicContact CE1-CD2 4.01Å; Y56-L61 WeakPolarHBondContact CE1-O 3.16Å; Y56-L61 HydrophobicContact CE2-CD2 3.59Å; Y56-L61 HydrophobicContact CG-CD2 4.25Å; Y56-P64 HydrophobicContact CD1-CB 4.16Å; Y56-P64 HydrophobicContact CE1-CB 3.98Å
57N91.7Very high92.3Very high25 Ų2581.5 Ų81.513%0.13441%0.409CS..G310 helixtrans-74.9143.9175.2-166.773.4000110.5Y59 S60 Q63 R65N57-Y59 PolarHBondContact O-N 3.44Å; N57-S60 PolarHBondContact O-N 2.87Å; N57-S60 PolarHBondContact O-OG 2.97Å; N57-Q63 HydrophobicContact CB-CB 4.06Å; N57-Q63 HydrophobicContact CB-CG 3.79Å; N57-Q63 PolarHBondContact N-O 3Å; N57-Q63 PolarHBondContact ND2-OE1 2.9Å; N57-R65 HydrophobicContact CB-CG 4.23Å; N57-R65 VanDerWaalsContact CG-NH2 3.27Å; N57-R65 VanDerWaalsContact OD1-CZ 3.23Å; N57-R65 PolarHBondContact OD1-NE 3.38Å; N57-R65 PolarHBondContact OD1-NH2 3.41Å
58N89.6Confident92.4Very high122 Ų12276.5 Ų76.565%0.65238%0.382SS*.G310 helixtrans52.623.7-178.4-53-29.5000114.1S60 Q63N58-S60 PolarHBondContact O-N 2.9Å; N58-S60 VanDerWaalsContact O-N 3.09Å; N58-Q63 PolarHBondContact ND2-OE1 2.88Å
59Y90.4Very high92.5Very high228 Ų22883 Ų8389%0.89441%0.408SS*.G310 helixtrans57.313.7-171.8-49.7-81000115.2N57N57-Y59 PolarHBondContact O-N 3.44Å
60S87.1Confident92.5Very high35 Ų3582.9 Ų82.925%0.24541%0.406CS..  trans-91.3126.2-179.9680000112.1Y56 N57 N58 S62 Q63Y56-S60 WeakPolarHBondContact CD1-O 3.37Å; N57-S60 PolarHBondContact O-N 2.87Å; N57-S60 PolarHBondContact O-OG 2.97Å; N58-S60 PolarHBondContact O-N 2.9Å; N58-S60 VanDerWaalsContact O-N 3.09Å; S60-S62 PolarHBondContact O-N 3.07Å; S60-S62 VanDerWaalsContact O-N 3.11Å; S60-S62 PolarHBondContact OG-OG 3.35Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-Q63 WeakPolarHBondContact OG-CB 3.46Å
61L89.7Confident92.6Very high133 Ų13380.5 Ų80.570%0.69640%0.396SS*.THydrogen-bonded Turntrans-59.8-23.3176.1-61.6179.7000112.7Y56 Q63Y56-L61 HydrophobicContact CD1-CD2 4.3Å; Y56-L61 HydrophobicContact CD2-CD2 3.9Å; Y56-L61 HydrophobicContact CE1-CB 4.42Å; Y56-L61 HydrophobicContact CE1-CD2 4.01Å; Y56-L61 WeakPolarHBondContact CE1-O 3.16Å; Y56-L61 HydrophobicContact CE2-CD2 3.59Å; Y56-L61 HydrophobicContact CG-CD2 4.25Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 2.95Å
62S90Very high92.6Very high111 Ų11188.7 Ų88.778%0.77642%0.423SS*.THydrogen-bonded Turntrans-73.4-9.2174.456.80000114.6S60 P64S60-S62 PolarHBondContact O-N 3.07Å; S60-S62 VanDerWaalsContact O-N 3.11Å; S60-S62 PolarHBondContact OG-OG 3.35Å; S62-P64 WeakPolarHBondContact O-CD 3.39Å
63Q90.1Very high92.5Very high69 Ų6984.9 Ų84.932%0.32240%0.404SS..  trans-124.659.5-177.2-153.6174.225.700114N57 N58 S60 L61 R65N57-Q63 HydrophobicContact CB-CB 4.06Å; N57-Q63 HydrophobicContact CB-CG 3.79Å; N57-Q63 PolarHBondContact N-O 3Å; N57-Q63 PolarHBondContact ND2-OE1 2.9Å; N58-Q63 PolarHBondContact ND2-OE1 2.88Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-Q63 WeakPolarHBondContact OG-CB 3.46Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 2.95Å; Q63-R65 PolarHBondContact O-N 3.14Å
64P92.9Very high92.5Very high25 Ų2586.4 Ų86.416%0.16241%0.408CS..EExtended strand (participates in β ladder)trans-67.1128.5177.729-35.1000112.1F53 Y56 S62 Y66F53-P64 HydrophobicContact CD2-CB 3.98Å; F53-P64 HydrophobicContact CE2-CB 3.73Å; Y56-P64 HydrophobicContact CD1-CB 4.16Å; Y56-P64 HydrophobicContact CE1-CB 3.98Å; S62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-Y66 HydrophobicContact CB-CE2 3.95Å; P64-Y66 HydrophobicContact CG-CE2 4.1Å
65R93.1Very high92.4Very high46 Ų4684.5 Ų84.517%0.17439%0.393CS..EExtended strand (participates in β ladder)trans-99.5134.5171.8-68.5179.3174.6-69.4-0.2111.1C54 Y55 N57 Q63 W75 T76C54-R65 PolarHBondContact N-O 3.46Å; Y55-R65 HydrophobicContact CD1-CB 4.36Å; Y55-R65 HydrophobicContact CE1-CB 4.28Å; Y55-R65 WeakPolarHBondContact O-CB 3.21Å; Y55-R65 PolarHBondContact O-N 2.9Å; Y55-R65 WeakPolarHBondContact OH-CD 3.32Å; Y55-R65 PolarHBondContact OH-NE 2.87Å; N57-R65 HydrophobicContact CB-CG 4.23Å; N57-R65 VanDerWaalsContact CG-NH2 3.27Å; N57-R65 VanDerWaalsContact OD1-CZ 3.23Å; N57-R65 PolarHBondContact OD1-NE 3.38Å; N57-R65 PolarHBondContact OD1-NH2 3.41Å; Q63-R65 PolarHBondContact O-N 3.14Å; R65-W75 WeakPolarHBondContact CA-O 3.17Å; R65-T76 HydrophobicContact CG-CG2 3.91Å
66Y94.4Very high92.1Very high17 Ų1781.3 Ų81.37%0.06738%0.384CS..EExtended strand (participates in β ladder)trans-112.6137.5176.8-63.1-99.7000109.6L41 K52 F53 P64 Y74 W75 K77L41-Y66 HydrophobicContact CD1-CD1 4.34Å; L41-Y66 HydrophobicContact CD1-CE1 3.61Å; L41-Y66 HydrophobicContact CD1-CE2 4.28Å; K52-Y66 CarbonylContact O-C 3.49Å; K52-Y66 VanDerWaalsContact O-CA 3.26Å; K52-Y66 WeakPolarHBondContact O-CA 3.23Å; F53-Y66 HydrophobicContact CB-CD1 4.3Å; F53-Y66 HydrophobicContact CB-CE1 4.21Å; P64-Y66 HydrophobicContact CB-CE2 3.95Å; P64-Y66 HydrophobicContact CG-CE2 4.1Å; Y66-Y74 CarbonylContact O-C 3.55Å; Y66-Y74 VanDerWaalsContact O-CA 3.28Å; Y66-Y74 WeakPolarHBondContact O-CA 3.13Å; Y66-W75 HydrophobicContact CD1-CH2 4.26Å; Y66-W75 HydrophobicContact CD1-CZ2 4.05Å; Y66-W75 AromaticContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CZ2 4.11Å; Y66-W75 HydrophobicContact CD2-CZ3 4.21Å; Y66-W75 HydrophobicContact CE2-CH2 4.39Å; Y66-W75 AromaticContact CG-CH2 3.78Å; Y66-W75 HydrophobicContact CG-CH2 3.78Å; Y66-W75 AromaticContact CG-CZ2 3.59Å; Y66-W75 HydrophobicContact CG-CZ2 3.59Å; Y66-W75 PolarHBondContact N-O 2.76Å; Y66-W75 PolarHBondContact O-N 3.5Å; Y66-K77 HydrophobicContact CD2-CB 4.47Å; Y66-K77 HydrophobicContact CE2-CB 3.75Å
67F94.1Very high91.6Very high60 Ų6081.4 Ų81.426%0.26339%0.387SS..EExtended strand (participates in β ladder)trans-98.8128.9172.3179.9-104.9000109.7T51 K52 C54 R72 Y74T51-F67 CarbonylContact C-O 3.56Å; T51-F67 VanDerWaalsContact CA-O 3.29Å; T51-F67 WeakPolarHBondContact CA-O 3.39Å; K52-F67 PolarHBondContact N-O 2.9Å; K52-F67 PolarHBondContact O-N 3.43Å; C54-F67 HydrophobicContact CB-CB 4.3Å; F67-R72 HydrophobicContact CE2-CB 4.37Å; F67-R72 HydrophobicContact CZ-CB 4.1Å; F67-R72 HydrophobicContact CZ-CG 4.38Å; F67-Y74 HydrophobicContact CB-CD1 3.95Å; F67-Y74 HydrophobicContact CB-CE1 3.85Å; F67-Y74 AromaticContact CD2-CD1 3.86Å; F67-Y74 HydrophobicContact CD2-CD1 3.86Å; F67-Y74 AromaticContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE2 4.3Å; F67-Y74 HydrophobicContact CD2-CG 4.37Å; F67-Y74 AromaticContact CD2-CZ 3.78Å; F67-Y74 HydrophobicContact CE2-CE1 4.5Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.09Å
68C94.7Very high91.1Very high0 Ų084.4 Ų84.40%042%0.424CS..EExtended strand (participates in β ladder)trans-91.8121.1170.1178.80000110.7C43 C46 T51 T70 C71 R72 R73C43-C68 HydrophobicContact CB-CB 3.66Å; C43-C68 VanDerWaalsContact CB-SG 3.53Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C46-C68 VanDerWaalsContact SG-SG 3.62Å; T51-C68 HydrophobicContact CG2-CB 4.15Å; C68-T70 VanDerWaalsContact C-N 3.33Å; C68-T70 PolarHBondContact O-N 3.1Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C68-R72 WeakPolarHBondContact O-CA 3.5Å; C68-R72 PolarHBondContact O-N 2.9Å; C68-R73 PolarHBondContact N-O 2.73Å
69K93.8Very high90.5Very high149 Ų14980.4 Ų80.465%0.64841%0.411SS*.THydrogen-bonded Turntrans-66.8-34.3-179.9-160.6-178.8-177.7-174.50112.3N50N50-K69 HydrophobicContact CB-CB 4.34Å; N50-K69 PolarHBondContact O-N 3.15Å; N50-K69 WeakPolarHBondContact OD1-CB 3.1Å; N50-K69 WeakPolarHBondContact OD1-CD 3.36Å
70T93.6Very high89.5Confident91 Ų9174.2 Ų74.256%0.55841%0.407SS*.THydrogen-bonded Turntrans-70.1-52.8-177.9-55.10000112.6S48 C68S48-T70 WeakPolarHBondContact CB-OG1 3.48Å; S48-T70 WeakPolarHBondContact OG-CB 3.35Å; S48-T70 PolarHBondContact OG-OG1 2.9Å; C68-T70 VanDerWaalsContact C-N 3.33Å; C68-T70 PolarHBondContact O-N 3.1Å
71C93.6Very high88.7Confident35 Ų3575.3 Ų75.324%0.23641%0.41CS..THydrogen-bonded Turntrans-96.72.3-179.469.60000114.6C43 C46 C68 R73C43-C71 VanDerWaalsContact SG-SG 3.64Å; C46-C71 HydrophobicContact CB-CB 4.08Å; C46-C71 PolarHBondContact SG-SG 2.81Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C71-R73 WeakPolarHBondContact O-CG 3.5Å; C71-R73 PolarHBondContact O-N 2.95Å
72R93.9Very high87.9Confident206 Ų20678.2 Ų78.278%0.77741%0.412SS*.THydrogen-bonded Turntrans50.737.8-179.5-57.2-175.3-176.8-178.20.2114F67 C68F67-R72 HydrophobicContact CE2-CB 4.37Å; F67-R72 HydrophobicContact CZ-CB 4.1Å; F67-R72 HydrophobicContact CZ-CG 4.38Å; C68-R72 WeakPolarHBondContact O-CA 3.5Å; C68-R72 PolarHBondContact O-N 2.9Å
73R91.9Very high86.2Confident83 Ų8381 Ų8131%0.31342%0.418SS..EExtended strand (participates in β ladder)trans-124.5140-176.1-76.9166.4176.6-121.710.4111.2C68 C71 G89C68-R73 PolarHBondContact N-O 2.73Å; C71-R73 WeakPolarHBondContact O-CG 3.5Å; C71-R73 PolarHBondContact O-N 2.95Å; R73-G89 PolarHBondContact NH2-O 3.21Å
74Y93.2Very high84.5Confident112 Ų11280.2 Ų80.244%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-77.5144.2169.5-58.6-77.4000111.6C54 Y55 Y66 F67C54-Y74 HydrophobicContact CB-CE1 4.3Å; Y55-Y74 HydrophobicContact CE1-CE1 4.42Å; Y66-Y74 CarbonylContact O-C 3.55Å; Y66-Y74 VanDerWaalsContact O-CA 3.28Å; Y66-Y74 WeakPolarHBondContact O-CA 3.13Å; F67-Y74 HydrophobicContact CB-CD1 3.95Å; F67-Y74 HydrophobicContact CB-CE1 3.85Å; F67-Y74 AromaticContact CD2-CD1 3.86Å; F67-Y74 HydrophobicContact CD2-CD1 3.86Å; F67-Y74 AromaticContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE2 4.3Å; F67-Y74 HydrophobicContact CD2-CG 4.37Å; F67-Y74 AromaticContact CD2-CZ 3.78Å; F67-Y74 HydrophobicContact CE2-CE1 4.5Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.09Å
75W91.3Very high83Confident21 Ų2183.9 Ų83.98%0.0844%0.441CS..EExtended strand (participates in β ladder)trans-149.1174.5175.266.5-81.7000109.8L41 P44 T51 R65 Y66 K77L41-W75 HydrophobicContact CB-CH2 3.6Å; L41-W75 HydrophobicContact CB-CZ2 4.04Å; L41-W75 HydrophobicContact CD1-CH2 4.04Å; L41-W75 HydrophobicContact CG-CH2 4.45Å; P44-W75 HydrophobicContact CG-CB 4.5Å; P44-W75 HydrophobicContact CG-CD2 4.43Å; P44-W75 HydrophobicContact CG-CE3 4.22Å; T51-W75 HydrophobicContact CG2-CZ2 3.9Å; R65-W75 WeakPolarHBondContact CA-O 3.17Å; Y66-W75 HydrophobicContact CD1-CH2 4.26Å; Y66-W75 HydrophobicContact CD1-CZ2 4.05Å; Y66-W75 AromaticContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CZ2 4.11Å; Y66-W75 HydrophobicContact CD2-CZ3 4.21Å; Y66-W75 HydrophobicContact CE2-CH2 4.39Å; Y66-W75 AromaticContact CG-CH2 3.78Å; Y66-W75 HydrophobicContact CG-CH2 3.78Å; Y66-W75 AromaticContact CG-CZ2 3.59Å; Y66-W75 HydrophobicContact CG-CZ2 3.59Å; Y66-W75 PolarHBondContact N-O 2.76Å; Y66-W75 PolarHBondContact O-N 3.5Å; W75-K77 HydrophobicContact CZ3-CB 4.24Å
76T91.3Very high81.2Confident37 Ų3788.6 Ų88.623%0.22748%0.475CS..EExtended strand (participates in β ladder)trans-136.6135.4-175.147.80000110.4R65R65-T76 HydrophobicContact CG-CG2 3.91Å
77K84.1Confident79.6Confident104 Ų10491.3 Ų91.345%0.45251%0.508SS..THydrogen-bonded Turntrans-64.5131.5175.2-168.3-176.2-170173.60110E38 L41 Y66 W75 G79E38-K77 IonicContact OE1-NZ 2.63Å; E38-K77 PolarHBondContact OE1-NZ 3.46Å; L41-K77 HydrophobicContact CD1-CB 4.46Å; L41-K77 HydrophobicContact CD1-CD 3.67Å; L41-K77 HydrophobicContact CD1-CG 4.15Å; L41-K77 HydrophobicContact CD2-CD 4.19Å; L41-K77 HydrophobicContact CD2-CG 4.49Å; Y66-K77 HydrophobicContact CD2-CB 4.47Å; Y66-K77 HydrophobicContact CE2-CB 3.75Å; W75-K77 HydrophobicContact CZ3-CB 4.24Å; K77-G79 PolarHBondContact O-N 3.48Å
78G80Confident77.8Confident89 Ų8991.5 Ų91.592%0.91853%0.527SS*.THydrogen-bonded Turntrans68.7-8179.200000116.6
79G77.4Confident76.2Confident37 Ų3793.2 Ų93.238%0.38155%0.545SS..SBendtrans-74.9136.8174.100000111K77 L81K77-G79 PolarHBondContact O-N 3.48Å; G79-L81 PolarHBondContact O-N 2.74Å; G79-L81 VanDerWaalsContact O-N 3.1Å
80A68.9Low74.4Confident98 Ų9891.7 Ų91.781%0.8155%0.551SS**  trans-52.1121.2169.600000109.4R82A80-R82 PolarHBondContact O-N 3.4Å
81L70.3Confident72.7Confident58 Ų5898.9 Ų98.930%0.30457%0.568SS.*  trans-62.7108.7170.5-179.367.2000106.1R45 G79 N83R45-L81 HydrophobicContact CG-CD1 4.21Å; G79-L81 PolarHBondContact O-N 2.74Å; G79-L81 VanDerWaalsContact O-N 3.1Å; L81-N83 PolarHBondContact O-N 3.07Å
82R74.2Confident70.7Confident195 Ų195106 Ų10674%0.73660%0.595SS**  trans-41.4121.4171.6-64.6177.5-176.7155.6-2.8107.4A80 V84A80-R82 PolarHBondContact O-N 3.4Å; R82-V84 VanDerWaalsContact O-CG2 3.26Å; R82-V84 WeakPolarHBondContact O-CG2 3.41Å; R82-V84 PolarHBondContact O-N 3.47Å
83N53.3Low68.4Low169 Ų169102.5 Ų102.590%0.90459%0.592SS**SBendtrans-49.198-165.1-68.9-35.8000111.2L81L81-N83 PolarHBondContact O-N 3.07Å
84V53.9Low66.2Low52 Ų52107 Ų10732%0.31561%0.614SS.*  trans-119.4109.3179.2163.40000104.2R82 V86R82-V84 VanDerWaalsContact O-CG2 3.26Å; R82-V84 WeakPolarHBondContact O-CG2 3.41Å; R82-V84 PolarHBondContact O-N 3.47Å; V84-V86 PolarHBondContact O-N 3.44Å
85P61.5Low64.2Low103 Ų103112 Ų11267%0.66963%0.632SS**  trans-55.8129.9176.121.6-31.8000109.2G87 G88P85-G87 VanDerWaalsContact C-N 3.3Å; P85-G87 PolarHBondContact O-N 2.75Å; P85-G88 PolarHBondContact O-N 2.84Å
86V55.5Low62.2Low145 Ų145114.3 Ų114.388%0.87965%0.651SS**THydrogen-bonded Turntrans-65.390.9-178.6-1790000108V84V84-V86 PolarHBondContact O-N 3.44Å
87G60.5Low60.4Low73 Ų73122.8 Ų122.875%0.75368%0.679SS**THydrogen-bonded Turntrans151.7-29.9-169.700000114.2P85 G89P85-G87 VanDerWaalsContact C-N 3.3Å; P85-G87 PolarHBondContact O-N 2.75Å; G87-G89 PolarHBondContact O-N 3.42Å
88G57.1Low59Low64 Ų64120.3 Ų120.366%0.6668%0.675SS**THydrogen-bonded Turntrans-73.914.5-176.900000116.1P85P85-G88 PolarHBondContact O-N 2.84Å
89G61.3Low57.9Low37 Ų37119 Ų11938%0.38166%0.656SS.*THydrogen-bonded Turntrans-102.6-27.6-158.500000117R73 G87R73-G89 PolarHBondContact NH2-O 3.21Å; G87-G89 PolarHBondContact O-N 3.42Å
90C55.6Low57Low116 Ų116120.4 Ų120.478%0.78466%0.663SS**  trans-112.586.6-168-143.40000111.3K92C90-K92 PolarHBondContact O-N 2.74Å
91R57.4Low56.6Low242 Ų242118.5 Ų118.591%0.91365%0.647SS**  trans-68.575157.2-74.1-170.1-179.9-161.70.5108.3N93R91-N93 VanDerWaalsContact C-N 3.27Å; R91-N93 PolarHBondContact O-N 3.2Å
92K51.2Low56.4Low184 Ų184120.4 Ų120.480%0.866%0.661SS**  trans-67.198.8160.1-172.4153.6-176.4172.80105.2C90 K94C90-K92 PolarHBondContact O-N 2.74Å; K92-K94 PolarHBondContact O-N 3.28Å
93N47.4Very low56Low133 Ų133114 Ų11471%0.71165%0.65SS**  trans-56.793.1162.7-9051.1000106.6R91 R95R91-N93 VanDerWaalsContact C-N 3.27Å; R91-N93 PolarHBondContact O-N 3.2Å; N93-R95 PolarHBondContact O-N 2.96Å
94K44.3Very low56.6Low177 Ų177109 Ų10977%0.7763%0.633SS**  trans-53.5127.6158.3-168.8176.7-176.4-175.80104.6K92 S96K92-K94 PolarHBondContact O-N 3.28Å; K94-S96 PolarHBondContact O-N 3.3Å; K94-S96 PolarHBondContact O-OG 3.01Å
95R50.8Low57.3Low217 Ų217109.5 Ų109.582%0.81964%0.642SS**THydrogen-bonded Turntrans-74.659.7-172.7-170.5162.3-169.4162.13.8109.8N93 S98N93-R95 PolarHBondContact O-N 2.96Å; R95-S98 WeakPolarHBondContact CG-OG 3.38Å; R95-S98 PolarHBondContact O-OG 2.9Å; R95-S98 VanDerWaalsContact O-OG 3.14Å
96S50.5Low57.7Low70 Ų70107.3 Ų107.349%0.4963%0.632SS.*THydrogen-bonded Turntrans-102-21-178.753.70000112.7K94 S98 A99 A100K94-S96 PolarHBondContact O-N 3.3Å; K94-S96 PolarHBondContact O-OG 3.01Å; S96-S98 VanDerWaalsContact C-N 3.25Å; S96-S98 PolarHBondContact O-N 2.69Å; S96-A99 WeakPolarHBondContact O-CB 3.46Å; S96-A99 PolarHBondContact O-N 3.05Å; S96-A99 VanDerWaalsContact O-N 3.1Å; S96-A100 PolarHBondContact O-N 3.39Å; S96-A100 VanDerWaalsContact O-N 3.07Å
97R53.1Low58.4Low216 Ų216103.3 Ų103.382%0.81562%0.615SS**Hα-helixtrans-65.2-27.4168.4-82.3-167174.7-155.1-2.8113.1A101R97-A101 VanDerWaalsContact O-CB 3.23Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 2.9Å
98S55.3Low58.8Low51 Ų51102.8 Ų102.836%0.35760%0.603SS.*Hα-helixtrans-74.4-28169.947.90000112.8R95 S96 V102R95-S98 WeakPolarHBondContact CG-OG 3.38Å; R95-S98 PolarHBondContact O-OG 2.9Å; R95-S98 VanDerWaalsContact O-OG 3.14Å; S96-S98 VanDerWaalsContact C-N 3.25Å; S96-S98 PolarHBondContact O-N 2.69Å; S98-V102 WeakPolarHBondContact O-CB 3.28Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.45Å
99A56.5Low59.3Low63 Ų63102.3 Ų102.352%0.52159%0.593SS.*Hα-helixtrans-68-44.5171.300000110.7S96 A103S96-A99 WeakPolarHBondContact O-CB 3.46Å; S96-A99 PolarHBondContact O-N 3.05Å; S96-A99 VanDerWaalsContact O-N 3.1Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.42Å
100A59.3Low59.5Low65 Ų65103.1 Ų103.154%0.53760%0.596SS.*Hα-helixtrans-64.8-42174.700000112.9S96 A103 A104S96-A100 PolarHBondContact O-N 3.39Å; S96-A100 VanDerWaalsContact O-N 3.07Å; A100-A103 PolarHBondContact O-N 3.06Å; A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.94Å
101A60.3Low59.9Low58 Ų58100.4 Ų100.448%0.47958%0.582SS.*Hα-helixtrans-69.5-38.1177.900000112.9R97 A105R97-A101 VanDerWaalsContact O-CB 3.23Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 2.9Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.03Å
102V64.6Low60.1Low99 Ų9991.5 Ų91.560%0.656%0.56SS**Hα-helixtrans-71.7-36.6175.1173.30000111S98 A105 A106S98-V102 WeakPolarHBondContact O-CB 3.28Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.45Å; V102-A105 PolarHBondContact O-N 3.22Å; V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å
103A65.6Low60.6Low61 Ų6186.2 Ų86.250%0.50455%0.546SS..Hα-helixtrans-64.8-42.6172.400000112.2A99 A100 A106 A107A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.42Å; A100-A103 PolarHBondContact O-N 3.06Å; A103-A106 PolarHBondContact O-N 2.7Å; A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 2.76Å
104A67.4Low61.2Low64 Ų6483.8 Ų83.853%0.52954%0.54SS..Hα-helixtrans-65.1-40.9174.800000112.2A100 A107 A108A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.94Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.85Å
105A68.4Low61.9Low61 Ų6179.5 Ų79.550%0.50453%0.532SS..Hα-helixtrans-66.4-39.517500000112.3A101 V102 A108 A109A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.03Å; V102-A105 PolarHBondContact O-N 3.22Å; A105-A108 PolarHBondContact O-N 3.19Å; A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.05Å
106A68.8Low62.1Low57 Ų5779.4 Ų79.447%0.47153%0.532SS..Hα-helixtrans-66.6-40.9175.100000112V102 A103 A109 A110V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 2.7Å; A106-A109 PolarHBondContact O-N 2.87Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å
107A71.4Confident62.3Low62 Ų6283.2 Ų83.251%0.51255%0.546SS..Hα-helixtrans-64.2-42.2174.100000112A103 A104 A110 A111A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 2.76Å; A104-A107 PolarHBondContact O-N 2.94Å; A107-A110 PolarHBondContact O-N 2.86Å; A107-A111 WeakPolarHBondContact O-CB 3.26Å; A107-A111 PolarHBondContact O-N 2.73Å
108A69.2Low62.2Low62 Ų6278 Ų7851%0.51254%0.542SS..Hα-helixtrans-65.3-39.5174.800000112.4A104 A105 A112A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.85Å; A105-A108 PolarHBondContact O-N 3.19Å; A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.24Å; A108-A112 PolarHBondContact O-N 3.02Å
109A67.4Low61.8Low53 Ų5383 Ų8344%0.43856%0.564SS.*Hα-helixtrans-67.8-38.1175.400000112.3A105 A106 A112 S113A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.05Å; A106-A109 PolarHBondContact O-N 2.87Å; A109-A112 PolarHBondContact O-N 2.81Å; A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.02Å; A109-S113 PolarHBondContact O-OG 3.14Å
110A65.4Low61.2Low54 Ų5486.9 Ų86.945%0.44658%0.576SS.*Hα-helixtrans-65.2-46.1174.200000111.5A106 A107 A112 S113 S114A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å; A107-A110 PolarHBondContact O-N 2.86Å; A110-A112 PolarHBondContact O-N 2.86Å; A110-S113 PolarHBondContact O-N 2.88Å; A110-S114 PolarHBondContact O-N 2.8Å; A110-S114 PolarHBondContact O-OG 2.92Å
111A64.3Low60.5Low59 Ų5991.3 Ų91.349%0.48859%0.59SS.*Hα-helixtrans-59.6-46.8174.100000111.8A107 S113 S114 S115A107-A111 WeakPolarHBondContact O-CB 3.26Å; A107-A111 PolarHBondContact O-N 2.73Å; A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å; A111-S114 PolarHBondContact O-N 3.49Å; A111-S115 PolarHBondContact O-N 3Å; A111-S115 PolarHBondContact O-OG 3.01Å
112A61.1Low60Low56 Ų5693.7 Ų93.746%0.46360%0.601SS.*Hα-helixtrans-64.1-31177.500000113.3A108 A109 A110 R116A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.24Å; A108-A112 PolarHBondContact O-N 3.02Å; A109-A112 PolarHBondContact O-N 2.81Å; A110-A112 PolarHBondContact O-N 2.86Å; A112-R116 WeakPolarHBondContact O-CG 3.28Å
113S60.6Low59.5Low72 Ų7295.5 Ų95.550%0.50362%0.615SS.*Hα-helixtrans-75.7-41.5176.9-57.70000111.9A109 A110 A111 S115 R116A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.02Å; A109-S113 PolarHBondContact O-OG 3.14Å; A110-S113 PolarHBondContact O-N 2.88Å; A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-R116 PolarHBondContact O-N 2.98Å
114S60.4Low58.4Low82 Ų82101.2 Ų101.257%0.57363%0.631SS**Hα-helixtrans-64.7-35.3175.3-61.30000112.6A110 A111 R116A110-S114 PolarHBondContact O-N 2.8Å; A110-S114 PolarHBondContact O-OG 2.92Å; A111-S114 PolarHBondContact O-N 3.49Å; S114-R116 VanDerWaalsContact C-N 3.27Å; S114-R116 PolarHBondContact O-N 3.37Å
115S58.9Low57Low88 Ų88102.4 Ų102.462%0.61564%0.641SS**THydrogen-bonded Turntrans-74.9-9.6175.5-60.80000114.7A111 S113A111-S115 PolarHBondContact O-N 3Å; A111-S115 PolarHBondContact O-OG 3.01Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.94Å
116R56.1Low55.7Low215 Ų215104.3 Ų104.381%0.81166%0.657SS**THydrogen-bonded Turntrans-94.5-5.5178.4-71.2-86.2179.2148.1-1113.6A112 S113 S114A112-R116 WeakPolarHBondContact O-CG 3.28Å; S113-R116 PolarHBondContact O-N 2.98Å; S114-R116 VanDerWaalsContact C-N 3.27Å; S114-R116 PolarHBondContact O-N 3.37Å
117L54.3Low54.2Low150 Ų150106.4 Ų106.479%0.78567%0.674SS**SBendtrans-101.5-9.1-178-73.9162.2000114.3
118S50.5Low52.9Low106 Ų106108.1 Ų108.174%0.74169%0.688SS**SBendtrans-109.943.2179.9-62.30000113.5
119L48.1Very low51.9Low156 Ų156110 Ų11082%0.81770%0.704SS**  trans-132.244.6174.3-75.9175.4000111.7
120N43.1Very low50.7Low144 Ų144114.8 Ų114.877%0.7772%0.722SS**  trans-158.892.1169-158.2-3.5000111.9
121L43.9Very low49.6Very low158 Ų158119.8 Ų119.883%0.82774%0.736SS**  trans176.6138.5140.8-115.161.1000109.9
122P50.2Low48.5Very low108 Ų108125.3 Ų125.370%0.70175%0.752SS**  trans-87.2152.3-177.735-34.8000112.9E124P122-E124 PolarHBondContact O-N 2.78Å
123P53.5Low47.5Very low138 Ų138127 Ų12790%0.89677%0.766SS**  trans-84.6107.6168.532.2-30000110.8
124E43.3Very low46.4Very low181 Ų181127.8 Ų127.885%0.84678%0.776SS**  trans-100.8135.6172.9-168.3-179.5108.800111.4P122P122-E124 PolarHBondContact O-N 2.78Å
125A37.8Very low45.3Very low89 Ų89134.6 Ų134.674%0.73679%0.789SS**  trans38.6101.3157.200000121.6
126A42.2Very low44.5Very low101 Ų101138.7 Ų138.784%0.83580%0.803SS**  trans-172.399131.700000108.1
127A37.4Very low43.6Very low101 Ų101131.9 Ų131.984%0.83580%0.8SS**  64.786.556.800000114.3
128A42.4Very low42.8Very low97 Ų97133.8 Ų133.880%0.80280%0.802SS**  163.7136.512900000112.7
129A49.4Very low42.4Very low103 Ų103135.7 Ų135.785%0.85180%0.803SS**  trans57.6140.3152.500000119.8
130D42.3Very low41.9Very low153 Ų153131.6 Ų131.682%0.81880%0.799SS**  cis-154.7160.2-15.3-169.717.7000108
131Q42.4Very low42Very low158 Ų158129 Ų12974%0.73880%0.798SS**  trans-88.2154.6176.1-64.6169.1-25.400110.7
132Q41Very low42Very low176 Ų176130.2 Ų130.282%0.82280%0.799SS**  139.2160.4129.8-74.3175.59.800114.5
133A39Very low41.7Very low92 Ų92133.7 Ų133.776%0.7681%0.806SS**  trans58.791.8159.800000115.9
134A39.2Very low41.9Very low87 Ų87131.8 Ų131.872%0.71979%0.793SS**  64.5125.169.400000114.9
135R37Very low41.9Very low226 Ų226129.8 Ų129.885%0.85379%0.793SS**  trans80.3129.5155.5-48.5-179.482.5152.76117.5
136L41Very low42.1Very low173 Ų173129.2 Ų129.291%0.90679%0.788SS**  trans67116.8160-50.5158.6000112.9
137G37.9Very low42.1Very low72 Ų72129.8 Ų129.874%0.74279%0.786SS**  cis118.1177.540.400000108.3
138F36.7Very low42.3Very low190 Ų190130.4 Ų130.483%0.83378%0.784SS**  trans83.995165-145.7-97.7000119.5
139L43Very low42.3Very low146 Ų146131.9 Ų131.976%0.76478%0.783SS**  trans47141.2130.9-47-173.4000122.4
140G36.8Very low42.1Very low71 Ų71134.7 Ų134.773%0.73278%0.782SS**  140.671.6125.800000120.6
141A44.9Very low41.8Very low90 Ų90135 Ų13574%0.74478%0.784SS**  trans39128.8138.400000123.2
142H43.8Very low41.3Very low183 Ų183130.8 Ų130.885%0.84778%0.784SS**  -168.993.5111.650.2-86.7000115.6
143H45.1Very low41.1Very low181 Ų181126.4 Ų126.484%0.83879%0.786SS**  52.5159123-100.1-119.9000123.9
144P57.7Low40.9Very low98 Ų98125.8 Ų125.864%0.63679%0.788SS**  -145.4-140.9-112.541.4-15.7000115.1
145V43Very low41.4Very low139 Ų139127.9 Ų127.984%0.84279%0.794SS**  trans89.9130.7171.2174.40000114.8
146A41.6Very low41.6Very low76 Ų76121.9 Ų121.963%0.62879%0.793SS**  cis-145.315713.500000115
147S41.9Very low41.4Very low114 Ų114118.5 Ų118.580%0.79779%0.79SS**  trans46.2139.7136.2-54.50000122.1
148S43.1Very low41.7Very low114 Ų114120 Ų12080%0.79780%0.795SS**  cis-146.7160.917.9-72.10000114
149T40.7Very low42Very low127 Ų127118.1 Ų118.178%0.77979%0.794SS**  trans-61161.5165.640.80000112.2
150I45.5Very low42Very low162 Ų162122.7 Ų122.783%0.83180%0.803SS**  -168.614862.7-77173.6000106.2
151D37.4Very low42.1Very low159 Ų159127 Ų12785%0.8580%0.803SS**  cis-171.8171.3-18.1-179.6-142000108
152G31.7Very low41.9Very low71 Ų71130 Ų13073%0.73280%0.802SS**  trans154.1116.9168.100000116.4
153G35.8Very low42Very low84 Ų84128.5 Ų128.587%0.86680%0.795SS**  trans166.4142.4165.900000115.1
154G36.1Very low41.5Very low79 Ų79128.8 Ų128.881%0.81480%0.797SS**  trans145.5102162.900000116.9
155P49Very low40.8Very low130 Ų130129.2 Ų129.284%0.84481%0.809SS**  trans-115.1145.3166.837.4-27.4000114
156A41Very low40.6Very low100 Ų100125.8 Ų125.883%0.82680%0.802SS**  trans-168.3121.3160.300000107.6
157A36.7Very low40.5Very low103 Ų103127.1 Ų127.185%0.85181%0.813SS**  86.710861.800000114
158A43.8Very low40.2Very low102 Ų102126.7 Ų126.784%0.84382%0.816SS**  trans-167.7126.1155.200000111.4
159D43Very low40.2Very low151 Ų151126.4 Ų126.481%0.80782%0.82SS**  trans-71.8164.6174.7-66.2-99.2000114.4
160Y42.8Very low40Very low243 Ų243127.6 Ų127.695%0.95383%0.827SS**  -161.7163.7120.5-111.9-78.7000111.7
161H40.7Very low39.7Very low161 Ų161123 Ų12375%0.74582%0.82SS**  trans-120.1-176.4-147.3-172.7-97.5000114.1
162H39.3Very low40.3Very low154 Ų154124.5 Ų124.571%0.71382%0.824SS**  trans93.9138.4155.8-15088.8000117.7
163Q45.4Very low40.7Very low151 Ų151128.8 Ų128.871%0.70683%0.829SS**  cis-164.3165.4-22-179158.6-55.200110.1
164Q36Very low41.1Very low186 Ų186129.5 Ų129.587%0.86983%0.826SS**  trans-119.6141.3-171.1179.4-17223.300113.3
165A41.8Very low41.4Very low107 Ų107133.3 Ų133.388%0.88483%0.827SS**  trans157.2153.2155.400000109.4
166G39.6Very low41.2Very low68 Ų68132.5 Ų132.570%0.70182%0.822SS**  cis169.8167.3-2.700000110.4
167A39.3Very low41.3Very low104 Ų104139 Ų13986%0.8683%0.825SS**  trans65.8123.6179.800000116.7
168A35.3Very low41.5Very low105 Ų105141.7 Ų141.787%0.86882%0.824SS**  cis88.510042.600000114.6
169A42.4Very low41.7Very low107 Ų107146.3 Ų146.388%0.88483%0.828SS**  trans-154.4136.9157.700000110.7
170V37.9Very low41.7Very low153 Ų153143.4 Ų143.493%0.92783%0.825SS**  trans-97.9142.9-178173.90000109.6
171G39.6Very low41.8Very low65 Ų65138.2 Ų138.267%0.6782%0.821SS**  trans-175.476.8179.100000119.9
172M48.9Very low42Very low191 Ų191134.3 Ų134.394%0.94182%0.824SS**  trans70.5142.5141.7-54-50.8-166.400122.9
173I41.1Very low42Very low161 Ų161133.9 Ų133.983%0.82683%0.832SS**  trans-93.2142.7-175.2-65150.8000110.8
174A42.5Very low42.1Very low99 Ų99132.9 Ų132.982%0.81884%0.836SS**  trans-151.5120.1154.700000112.1
175L44.2Very low42.2Very low159 Ų159127.7 Ų127.783%0.83283%0.833SS**  trans-110.4-174.2166.9-67166.3000108.6
176P43.8Very low42.2Very low112 Ų112131.4 Ų131.473%0.72783%0.832SS**  -121.4165.7-81.936.8-21.6000111.8
177R44.2Very low42.3Very low238 Ų238138.9 Ų138.990%0.89884%0.84SS**  trans-137.9121.7167.5-97.5-74.9153.589.3-5.7112.3
178L40.1Very low42.9Very low159 Ų159139.8 Ų139.883%0.83283%0.834SS**  trans-58.8144.7171.8-63.3113.2000111.6
179H46.9Very low43.7Very low198 Ų198139.7 Ų139.792%0.91783%0.825SS**  trans-154.4145139.4-96.783000108.6
180A44.4Very low43.5Very low91 Ų91143.3 Ų143.375%0.75282%0.821SS**  trans-134.2-179.6176.300000108.1
181P44.8Very low43.7Very low134 Ų134138.8 Ų138.887%0.8781%0.805SS**  cis-118.7169.1-22.936.8-23.2000111.9
182G44.3Very low43.6Very low78 Ų78143.3 Ų143.380%0.80481%0.809SS**  trans-164.2117.8173.900000113.1
183V40.4Very low43.3Very low145 Ų145144.2 Ų144.288%0.87980%0.802SS**  trans-80.3131.91781750000110.2
184V45.9Very low43.6Very low130 Ų130144.1 Ų144.179%0.78880%0.798SS**  trans168.1130.5135.7154.80000106.9
185G38.7Very low43.5Very low78 Ų78145.4 Ų145.480%0.80480%0.798SS**  trans-69.4132.9-168.400000114.1
186Q41.9Very low43.2Very low185 Ų185141.1 Ų141.186%0.86479%0.792SS**  trans-104.8126162.7-75.6-176.9-31.200109.9
187Y41.1Very low43.1Very low225 Ų225143.2 Ų143.288%0.88280%0.803SS**  trans-77.6117.6174.3-176.8-91.2000108.7
188V53.1Low42.9Very low122 Ų122137.1 Ų137.174%0.73980%0.804SS**  trans-106122.7178.3-1720000108.8
189P50.7Low42.9Very low104 Ų104132.9 Ų132.968%0.67580%0.798SS**  trans-69.8137179.628.8-33.9000111G191P189-G191 PolarHBondContact O-N 2.91Å
190F38.6Very low42.5Very low183 Ų183130.7 Ų130.780%0.80379%0.794SS**  trans-80.3104.3-179-141.8-101.6000109.7W193F190-W193 AromaticContact CD1-NE1 3.92Å; F190-W193 AromaticContact CE1-CD1 3.73Å; F190-W193 AromaticContact CE1-NE1 3.1Å; F190-W193 HydrophobicContact CZ-CZ2 4.22Å; F190-W193 AromaticContact CZ-NE1 3.36Å
191G42.2Very low42.3Very low57 Ų57133.5 Ų133.559%0.58880%0.801SS**  trans-145.2157.6175.600000110.5P189P189-G191 PolarHBondContact O-N 2.91Å
192E37.7Very low42.1Very low160 Ų160133.1 Ų133.175%0.74880%0.796SS**  trans6186.8-179-120.768.2-165.800116.9
193W42.2Very low41.8Very low211 Ų211136.1 Ų136.180%0.79980%0.799SS**  trans-108.397.7156.4-8184.4000109.9F190F190-W193 AromaticContact CD1-NE1 3.92Å; F190-W193 AromaticContact CE1-CD1 3.73Å; F190-W193 AromaticContact CE1-NE1 3.1Å; F190-W193 HydrophobicContact CZ-CZ2 4.22Å; F190-W193 AromaticContact CZ-NE1 3.36Å
194H47Very low41.5Very low158 Ų158132.9 Ų132.973%0.73180%0.795SS**  trans-71129.5170.1-87-93.2000111.1
195P41.8Very low40.9Very low126 Ų126130.4 Ų130.482%0.81880%0.795SS**  trans-89.4129.2170.433.5-30.4000111.4
196G38Very low40.9Very low70 Ų70130.8 Ų130.872%0.72279%0.791SS**  trans108.5112.9154.800000117.1
197T40.5Very low40.5Very low156 Ų156127.4 Ų127.496%0.95780%0.795SS**  -176.796.112920.50000108.2
198A40.7Very low40.8Very low109 Ų109122.1 Ų122.190%0.90179%0.786SS**  trans-116.6104.4168.900000107.6
199G41Very low40.3Very low70 Ų70121.8 Ų121.872%0.72279%0.789SS**  trans-88.5124.6177.900000112
200D37Very low40Very low153 Ų153121.8 Ų121.882%0.81879%0.791SS**  trans35.3102.9145.5-56.7-50.3000120.2
201V41.8Very low40.5Very low150 Ų150117.8 Ų117.891%0.90979%0.786SS**  trans-129.9123.7136.4172.70000109.2
202V39.4Very low41.1Very low126 Ų126119.4 Ų119.476%0.76479%0.788SS**  trans-79.6134.7-179.7171.10000111.3
203T37.8Very low41.8Very low140 Ų140115.9 Ų115.986%0.85978%0.781SS**  trans-164.8130.2136.5-73.60000108.4
204G35.3Very low42.4Very low78 Ų78110.5 Ų110.580%0.80478%0.776SS**  trans-86.6159.4-167.100000115.6
205G33.3Very low42.5Very low77 Ų77108.1 Ų108.179%0.79477%0.767SS**  trans167.4114.9169.900000113.2
206A38.4Very low42.8Very low87 Ų87104.1 Ų104.172%0.71975%0.745SS**  trans53.1105.516800000118.1V208A206-V208 PolarHBondContact O-N 3.28Å
207A33.3Very low43.5Very low114 Ų114104.4 Ų104.494%0.94274%0.736SS**  trans-68.494.6162.900000110.6
208V47.5Very low44.7Very low114 Ų11499.6 Ų99.669%0.69171%0.709SS**  trans-105.1134.4165.1-72.40000109.7A206 S210A206-V208 PolarHBondContact O-N 3.28Å; V208-S210 PolarHBondContact O-N 3.3Å; V208-S210 PolarHBondContact O-OG 3.48Å
209S42Very low45.9Very low114 Ų11499.5 Ų99.580%0.79769%0.692SS**  trans-61.399.4-167.2-50.30000113.5S211S209-S211 VanDerWaalsContact C-N 3.28Å; S209-S211 PolarHBondContact O-N 3.04Å
210S44.2Very low47.3Very low105 Ų105101.8 Ų101.873%0.73468%0.684SS**  trans-76.966.4-178-62.30000113.5V208V208-S210 PolarHBondContact O-N 3.3Å; V208-S210 PolarHBondContact O-OG 3.48Å
211S50.5Low48.9Very low99 Ų9997 Ų9769%0.69266%0.663SS**  trans-98.33.5172.6-54.80000113.7S209S209-S211 VanDerWaalsContact C-N 3.28Å; S209-S211 PolarHBondContact O-N 3.04Å
212S53.2Low50.2Low91 Ų9194.4 Ų94.464%0.63664%0.643SS**SBendtrans-93.2-18.5-171-47.30000114.7S214 I215S212-S214 PolarHBondContact O-N 2.91Å; S212-I215 PolarHBondContact O-N 3.16Å
213S53.8Low52.2Low86 Ų8691 Ų9160%0.60163%0.625SS**Hα-helixtrans-72.7-24.2-17138.70000114.5
214S53.3Low54.3Low98 Ų9891.5 Ų91.569%0.68562%0.616SS**Hα-helixtrans-82.1-21.5179-153.90000113.3S212 S218S212-S214 PolarHBondContact O-N 2.91Å; S214-S218 WeakPolarHBondContact O-CB 3.48Å
215I50.1Low56.5Low107 Ų10791.9 Ų91.955%0.54960%0.598SS.*Hα-helixtrans-84.5-37.4-177.1-57176.4000111.2S212 S218 I219S212-I215 PolarHBondContact O-N 3.16Å; I215-S218 PolarHBondContact O-N 2.9Å; I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 HydrophobicContact CG2-CG1 4.46Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 2.63Å
216A48.7Very low58.9Low43 Ų4393.2 Ų93.236%0.35559%0.587SS.*Hα-helixtrans-58.5-59.2177.400000111.5S218 I219 E220A216-S218 PolarHBondContact O-N 3.1Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.46Å; A216-I219 PolarHBondContact O-N 2.95Å; A216-E220 PolarHBondContact O-N 2.86Å; A216-E220 VanDerWaalsContact O-OE2 3.05Å
217S51.6Low61.3Low75 Ų7595 Ų9552%0.52458%0.58SS.*Hα-helixtrans-60.1-24.1178.7-52.30000113.8E220 S221S217-E220 WeakPolarHBondContact CA-OE2 3.39Å; S217-E220 PolarHBondContact N-OE2 3.01Å; S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.16Å; S217-S221 PolarHBondContact O-OG 3.01Å
218S66Low64Low56 Ų5692 Ų9239%0.39255%0.549SS..Hα-helixtrans-76.6-33172.6-160.50000112.7S214 I215 A216 S221 L222S214-S218 WeakPolarHBondContact O-CB 3.48Å; I215-S218 PolarHBondContact O-N 2.9Å; A216-S218 PolarHBondContact O-N 3.1Å; S218-S221 WeakPolarHBondContact CA-OG 3.41Å; S218-S221 PolarHBondContact O-OG 3.34Å; S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CD1 3.25Å; S218-L222 WeakPolarHBondContact O-CG 3.37Å; S218-L222 PolarHBondContact O-N 2.85Å
219I66.7Low66.1Low107 Ų10791.4 Ų91.455%0.54954%0.541SS..Hα-helixtrans-71.2-43174.4-70.8166.7000111I215 A216 S223I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 HydrophobicContact CG2-CG1 4.46Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 2.63Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.46Å; A216-I219 PolarHBondContact O-N 2.95Å; I219-S223 VanDerWaalsContact O-CB 3.3Å; I219-S223 WeakPolarHBondContact O-CB 3.49Å; I219-S223 PolarHBondContact O-N 3.45Å
220E68.6Low68.5Low117 Ų11791.5 Ų91.555%0.54753%0.529SS..Hα-helixtrans-65.3-43.3175.9-71.7102.8-138.400112.4A216 S217 S223 F224A216-E220 PolarHBondContact O-N 2.86Å; A216-E220 VanDerWaalsContact O-OE2 3.05Å; S217-E220 WeakPolarHBondContact CA-OE2 3.39Å; S217-E220 PolarHBondContact N-OE2 3.01Å; E220-S223 WeakPolarHBondContact O-CB 3.26Å; E220-S223 PolarHBondContact O-N 2.84Å; E220-F224 PolarHBondContact O-N 2.75Å
221S70.8Confident70.5Confident54 Ų5493.6 Ų93.638%0.37852%0.521SS..Hα-helixtrans-67.3-40.5178.251.90000112.8S217 S218 S223 F224 I225S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.16Å; S217-S221 PolarHBondContact O-OG 3.01Å; S218-S221 WeakPolarHBondContact CA-OG 3.41Å; S218-S221 PolarHBondContact O-OG 3.34Å; S221-S223 VanDerWaalsContact C-N 3.32Å; S221-S223 PolarHBondContact O-N 3.26Å; S221-F224 PolarHBondContact O-N 2.86Å; S221-I225 WeakPolarHBondContact O-CB 3.42Å; S221-I225 WeakPolarHBondContact O-CD1 3.3Å; S221-I225 VanDerWaalsContact O-CG1 3.25Å; S221-I225 WeakPolarHBondContact O-CG1 3.39Å; S221-I225 PolarHBondContact O-N 2.85Å
222L69Low72.4Confident94 Ų9493.9 Ų93.949%0.49251%0.51SS..Hα-helixtrans-65.9-34.1172.7-71.2172000112.3S218 N226S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CD1 3.25Å; S218-L222 WeakPolarHBondContact O-CG 3.37Å; S218-L222 PolarHBondContact O-N 2.85Å; L222-N226 WeakPolarHBondContact O-CB 3.41Å; L222-N226 PolarHBondContact O-N 2.81Å; L222-N226 PolarHBondContact O-ND2 3.11Å
223S82Confident74.3Confident55 Ų5593.3 Ų93.339%0.38550%0.499SS..Hα-helixtrans-62.3-48.1171.3177.10000111.3I219 E220 S221 N226 Q227I219-S223 VanDerWaalsContact O-CB 3.3Å; I219-S223 WeakPolarHBondContact O-CB 3.49Å; I219-S223 PolarHBondContact O-N 3.45Å; E220-S223 WeakPolarHBondContact O-CB 3.26Å; E220-S223 PolarHBondContact O-N 2.84Å; S221-S223 VanDerWaalsContact C-N 3.32Å; S221-S223 PolarHBondContact O-N 3.26Å; S223-N226 PolarHBondContact O-N 3Å; S223-Q227 WeakPolarHBondContact O-CG 3.39Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 PolarHBondContact OG-NE2 3Å
224F82.1Confident76.1Confident151 Ų15193 Ų9366%0.66249%0.488SS*.Hα-helixtrans-62.6-45.5179.2-169.4-94.5000112.2E220 S221 N226 Q227 D228E220-F224 PolarHBondContact O-N 2.75Å; S221-F224 PolarHBondContact O-N 2.86Å; F224-N226 PolarHBondContact O-N 2.91Å; F224-Q227 PolarHBondContact O-N 3.42Å; F224-D228 WeakPolarHBondContact O-CB 3.32Å; F224-D228 PolarHBondContact O-N 3.18Å
225I80.9Confident77.8Confident85 Ų8593 Ų9344%0.43648%0.477SS..Hα-helixtrans-62.8-41.9177.3-67.9162.6000111.4S221 D228 L229S221-I225 WeakPolarHBondContact O-CB 3.42Å; S221-I225 WeakPolarHBondContact O-CD1 3.3Å; S221-I225 VanDerWaalsContact O-CG1 3.25Å; S221-I225 WeakPolarHBondContact O-CG1 3.39Å; S221-I225 PolarHBondContact O-N 2.85Å; I225-D228 PolarHBondContact O-N 3.47Å; I225-L229 HydrophobicContact CG2-CD1 3.91Å; I225-L229 HydrophobicContact CG2-CG 4.42Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 3.48Å
226N85.1Confident79.7Confident105 Ų10593.9 Ų93.956%0.56148%0.479SS*.Hα-helixtrans-66.8-36.8176.6-82.2-68.5000112.3L222 S223 F224 H230L222-N226 WeakPolarHBondContact O-CB 3.41Å; L222-N226 PolarHBondContact O-N 2.81Å; L222-N226 PolarHBondContact O-ND2 3.11Å; S223-N226 PolarHBondContact O-N 3Å; F224-N226 PolarHBondContact O-N 2.91Å; N226-H230 VanDerWaalsContact O-CB 3.26Å; N226-H230 WeakPolarHBondContact O-CB 3.38Å; N226-H230 PolarHBondContact O-N 3.27Å
227Q87.6Confident81.5Confident124 Ų12498.8 Ų98.858%0.57949%0.488SS*.Hα-helixtrans-68.6-43.1175.2-72.8179.567.900112S223 F224 H230 W231S223-Q227 WeakPolarHBondContact O-CG 3.39Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 PolarHBondContact OG-NE2 3Å; F224-Q227 PolarHBondContact O-N 3.42Å; Q227-H230 PolarHBondContact O-N 3.1Å; Q227-W231 WeakPolarHBondContact O-CB 3.36Å; Q227-W231 PolarHBondContact O-N 3.04Å
228D91.1Very high83.4Confident53 Ų53100 Ų10028%0.28349%0.488SS..Hα-helixtrans-64.3-44176.1175.662.2000112.2F224 I225 H230 W231 K232F224-D228 WeakPolarHBondContact O-CB 3.32Å; F224-D228 PolarHBondContact O-N 3.18Å; I225-D228 PolarHBondContact O-N 3.47Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-H230 PolarHBondContact O-N 3.22Å; D228-W231 PolarHBondContact O-N 3.24Å; D228-K232 VanDerWaalsContact CG-NZ 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.34Å; D228-K232 WeakPolarHBondContact OD1-CE 3.32Å; D228-K232 IonicContact OD1-NZ 3.16Å; D228-K232 PolarHBondContact OD1-NZ 2.95Å; D228-K232 VanDerWaalsContact OD1-NZ 3.16Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.09Å
229L90.1Very high84.2Confident101 Ų10199.5 Ų99.553%0.52949%0.487SS..Hα-helixtrans-61.8-40.9172.9-76.3170.6000112.2I225 L233I225-L229 HydrophobicContact CG2-CD1 3.91Å; I225-L229 HydrophobicContact CG2-CG 4.42Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 3.48Å; L229-L233 WeakPolarHBondContact O-CB 3.09Å; L229-L233 PolarHBondContact O-N 3Å
230H92.6Very high84.9Confident115 Ų11598 Ų9853%0.53248%0.484SS..Hα-helixtrans-64.7-44.5176.4-174.2-90.5000111.5N226 Q227 D228 L233 Q234N226-H230 VanDerWaalsContact O-CB 3.26Å; N226-H230 WeakPolarHBondContact O-CB 3.38Å; N226-H230 PolarHBondContact O-N 3.27Å; Q227-H230 PolarHBondContact O-N 3.1Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-H230 PolarHBondContact O-N 3.22Å; H230-L233 PolarHBondContact O-N 2.8Å; H230-Q234 VanDerWaalsContact CE1-CD 3.4Å; H230-Q234 PolarHBondContact CE1-NE2 2.77Å; H230-Q234 PolarHBondContact ND1-OE1 2.94Å; H230-Q234 WeakPolarHBondContact O-CG 3.43Å; H230-Q234 PolarHBondContact O-N 2.95Å
231W86.2Confident85.2Confident150 Ų15099.6 Ų99.657%0.56849%0.493SS*.Hα-helixtrans-62.7-46.6176.3-179.9-108.5000112Q227 D228 L233 Q234 Q235Q227-W231 WeakPolarHBondContact O-CB 3.36Å; Q227-W231 PolarHBondContact O-N 3.04Å; D228-W231 PolarHBondContact O-N 3.24Å; W231-L233 PolarHBondContact O-N 3.22Å; W231-Q234 WeakPolarHBondContact O-CB 3.35Å; W231-Q234 PolarHBondContact O-N 3.4Å; W231-Q234 VanDerWaalsContact O-N 3.15Å; W231-Q235 VanDerWaalsContact NE1-NE2 3.12Å; W231-Q235 WeakPolarHBondContact O-CG 3.41Å; W231-Q235 PolarHBondContact O-N 2.86Å
232K91.7Very high85.3Confident105 Ų105105.7 Ų105.746%0.45751%0.513SS..Hα-helixtrans-62-39.5175.5-76.3170.1176.4163.30112.4D228 Q234 Q235 Q236D228-K232 VanDerWaalsContact CG-NZ 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.34Å; D228-K232 WeakPolarHBondContact OD1-CE 3.32Å; D228-K232 IonicContact OD1-NZ 3.16Å; D228-K232 PolarHBondContact OD1-NZ 2.95Å; D228-K232 VanDerWaalsContact OD1-NZ 3.16Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.09Å; K232-Q234 VanDerWaalsContact C-N 3.35Å; K232-Q235 PolarHBondContact O-N 3.16Å; K232-Q236 WeakPolarHBondContact O-CB 3.34Å; K232-Q236 PolarHBondContact O-N 2.94Å
233L92Very high85Confident78 Ų78107.4 Ų107.441%0.40852%0.522SS..Hα-helixtrans-68.8-33.2174.9-172.763.5000112.1L229 H230 W231 R237L229-L233 WeakPolarHBondContact O-CB 3.09Å; L229-L233 PolarHBondContact O-N 3Å; H230-L233 PolarHBondContact O-N 2.8Å; W231-L233 PolarHBondContact O-N 3.22Å; L233-R237 WeakPolarHBondContact O-CB 3.23Å; L233-R237 VanDerWaalsContact O-CG 3.23Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.39Å
234Q92.6Very high83.4Confident80 Ų80107.7 Ų107.737%0.37453%0.533SS..Hα-helixtrans-67-44.8170.8-74.3176.3-5200111.6H230 W231 K232 Q236 R237 L238H230-Q234 VanDerWaalsContact CE1-CD 3.4Å; H230-Q234 PolarHBondContact CE1-NE2 2.77Å; H230-Q234 PolarHBondContact ND1-OE1 2.94Å; H230-Q234 WeakPolarHBondContact O-CG 3.43Å; H230-Q234 PolarHBondContact O-N 2.95Å; W231-Q234 WeakPolarHBondContact O-CB 3.35Å; W231-Q234 PolarHBondContact O-N 3.4Å; W231-Q234 VanDerWaalsContact O-N 3.15Å; K232-Q234 VanDerWaalsContact C-N 3.35Å; Q234-Q236 PolarHBondContact O-N 3.31Å; Q234-R237 PolarHBondContact O-N 3.46Å; Q234-L238 WeakPolarHBondContact O-CB 3.4Å; Q234-L238 WeakPolarHBondContact O-CG 3.42Å; Q234-L238 PolarHBondContact O-N 2.82Å
235Q88.7Confident82.2Confident99 Ų99104.1 Ų104.146%0.46353%0.532SS..Hα-helixtrans-59.8-44173.6-73.6-174-26.300111.6W231 K232 R237 L238 A239W231-Q235 VanDerWaalsContact NE1-NE2 3.12Å; W231-Q235 WeakPolarHBondContact O-CG 3.41Å; W231-Q235 PolarHBondContact O-N 2.86Å; K232-Q235 PolarHBondContact O-N 3.16Å; Q235-R237 PolarHBondContact O-N 3.44Å; Q235-L238 PolarHBondContact O-N 2.9Å; Q235-A239 VanDerWaalsContact O-CB 3.27Å; Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 2.67Å
236Q90.5Very high81Confident124 Ų124104.8 Ų104.858%0.57954%0.542SS*.Hα-helixtrans-63-41.9176-172.2178.25.300111.7K232 Q234 A239 T240K232-Q236 WeakPolarHBondContact O-CB 3.34Å; K232-Q236 PolarHBondContact O-N 2.94Å; Q234-Q236 PolarHBondContact O-N 3.31Å; Q236-A239 PolarHBondContact O-N 2.83Å; Q236-T240 WeakPolarHBondContact O-CG2 3.37Å; Q236-T240 PolarHBondContact O-N 3.15Å; Q236-T240 PolarHBondContact O-OG1 3.27Å; Q236-T240 VanDerWaalsContact O-OG1 3.13Å
237R86.2Confident79.3Confident146 Ų146104.9 Ų104.955%0.55155%0.546SS*.Hα-helixtrans-62.2-46.3175.2-76.2170.2-179.4-172.42.1112L233 Q234 Q235 T240 M241L233-R237 WeakPolarHBondContact O-CB 3.23Å; L233-R237 VanDerWaalsContact O-CG 3.23Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.39Å; Q234-R237 PolarHBondContact O-N 3.46Å; Q235-R237 PolarHBondContact O-N 3.44Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; R237-T240 PolarHBondContact O-N 3.35Å; R237-T240 PolarHBondContact O-OG1 2.97Å; R237-M241 WeakPolarHBondContact O-CG 3.43Å; R237-M241 PolarHBondContact O-N 2.83Å
238L89.9Confident77.7Confident100 Ų100104.1 Ų104.152%0.52456%0.555SS.*Hα-helixtrans-61-44.4175.2-74164.9000111.2Q234 Q235 T240 M241 F242Q234-L238 WeakPolarHBondContact O-CB 3.4Å; Q234-L238 WeakPolarHBondContact O-CG 3.42Å; Q234-L238 PolarHBondContact O-N 2.82Å; Q235-L238 PolarHBondContact O-N 2.9Å; L238-T240 PolarHBondContact O-N 3.36Å; L238-M241 PolarHBondContact O-N 3.03Å; L238-M241 VanDerWaalsContact O-N 3.12Å; L238-F242 PolarHBondContact O-N 3.49Å
239A83.9Confident75.7Confident46 Ų46105 Ų10538%0.3857%0.57SS.*Hα-helixtrans-58.8-45.4174.500000111.2Q235 Q236 M241 F242 L243Q235-A239 VanDerWaalsContact O-CB 3.27Å; Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 2.67Å; Q236-A239 PolarHBondContact O-N 2.83Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.26Å; A239-F242 PolarHBondContact O-N 3.49Å; A239-L243 CarbonylContact O-C 3.43Å; A239-L243 WeakPolarHBondContact O-CA 3.27Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å
240T81.1Confident73.7Confident76 Ų76102.9 Ų102.947%0.46657%0.566SS.*Hα-helixtrans-70.2-15.9176.354.70000115Q236 R237 L238 L243Q236-T240 WeakPolarHBondContact O-CG2 3.37Å; Q236-T240 PolarHBondContact O-N 3.15Å; Q236-T240 PolarHBondContact O-OG1 3.27Å; Q236-T240 VanDerWaalsContact O-OG1 3.13Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; R237-T240 PolarHBondContact O-N 3.35Å; R237-T240 PolarHBondContact O-OG1 2.97Å; L238-T240 PolarHBondContact O-N 3.36Å; T240-L243 WeakPolarHBondContact CA-O 3.43Å
241M75.2Confident71.5Confident151 Ų151100.4 Ų100.474%0.74457%0.566SS**Hα-helixtrans-88.4-34.2173.1-72.3-169.4-16200112.7R237 L238 A239R237-M241 WeakPolarHBondContact O-CG 3.43Å; R237-M241 PolarHBondContact O-N 2.83Å; L238-M241 PolarHBondContact O-N 3.03Å; L238-M241 VanDerWaalsContact O-N 3.12Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.26Å
242F71.8Confident69.6Low181 Ų18195.9 Ų95.979%0.79456%0.56SS**Hα-helixtrans-94.6-32.1-179.1-89.2-89.1000113.9L238 A239L238-F242 PolarHBondContact O-N 3.49Å; A239-F242 PolarHBondContact O-N 3.49Å
243L63.6Low67.5Low130 Ų13094.2 Ų94.268%0.68157%0.566SS**SBendtrans-111.897.1167.3-60.394.1000106.2A239 T240A239-L243 CarbonylContact O-C 3.43Å; A239-L243 WeakPolarHBondContact O-CA 3.27Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å; T240-L243 WeakPolarHBondContact CA-O 3.43Å
244G48.4Very low65.4Low61 Ų6194.1 Ų94.163%0.62958%0.577SS**  trans-49.8146.9178.100000111.3
245A56.3Low63.2Low77 Ų7794.3 Ų94.364%0.63659%0.592SS**  trans-41.1133.6-170.700000112.3T247A245-T247 PolarHBondContact O-N 2.86Å
246P56.3Low61.1Low98 Ų9897.2 Ų97.264%0.63661%0.605SS**  trans-55.2119.6-178.623.4-33.2000108.5S248 A250P246-S248 PolarHBondContact O-N 3.36Å; P246-A250 HydrophobicContact CB-CB 4.28Å
247T50.1Low58.8Low107 Ų10795.2 Ų95.266%0.65661%0.61SS**  trans-55.1143172.552.80000107.8A245 A249 A250A245-T247 PolarHBondContact O-N 2.86Å; T247-A249 PolarHBondContact O-N 2.96Å; T247-A250 PolarHBondContact O-N 2.8Å
248S53.8Low56.6Low108 Ų10895.6 Ų95.676%0.75562%0.623SS**Hα-helixtrans-57-14.6-168.7410000114.8P246P246-S248 PolarHBondContact O-N 3.36Å
249A48.7Very low54.3Low73 Ų7396.6 Ų96.660%0.60364%0.638SS**Hα-helixtrans-62.5-38.2168.900000114.1T247 A253T247-A249 PolarHBondContact O-N 2.96Å; A249-A253 PolarHBondContact O-N 3.32Å
250A48.7Very low52Low55 Ų5599 Ų9946%0.45566%0.658SS.*Hα-helixtrans-75.6-33.5-176.200000112.9P246 T247 A253 A254P246-A250 HydrophobicContact CB-CB 4.28Å; T247-A250 PolarHBondContact O-N 2.8Å; A250-A253 PolarHBondContact O-N 3.38Å; A250-A254 PolarHBondContact O-N 3.47Å
251A46.4Very low49.9Very low63 Ų63100.5 Ų100.552%0.52168%0.678SS.*Hα-helixtrans-68.9-33.7175.800000112.3A255A251-A255 PolarHBondContact O-N 3.12Å
252A46.7Very low48.1Very low55 Ų55101.3 Ų101.346%0.45568%0.68SS.*Hα-helixtrans-68.3-35.4174.400000112.5A254 A255A252-A254 PolarHBondContact O-N 3.13Å; A252-A255 PolarHBondContact O-N 2.75Å
253A46.4Very low46.8Very low70 Ų7098.3 Ų98.358%0.57968%0.676SS**Hα-helixtrans-65.8-36.1177.800000113A249 A250A249-A253 PolarHBondContact O-N 3.32Å; A250-A253 PolarHBondContact O-N 3.38Å
254A48.3Very low45.5Very low76 Ų7695.8 Ų95.863%0.62868%0.681SS**Hα-helixtrans-71.4-29.2177.300000113.3A250 A252 H256A250-A254 PolarHBondContact O-N 3.47Å; A252-A254 PolarHBondContact O-N 3.13Å; A254-H256 VanDerWaalsContact C-N 3.3Å; A254-H256 PolarHBondContact O-N 3.33Å
255A45.9Very low44.8Very low84 Ų8496.5 Ų96.569%0.69469%0.689SS**Hα-helixtrans-76.9-12.5179.700000114.1A251 A252A251-A255 PolarHBondContact O-N 3.12Å; A252-A255 PolarHBondContact O-N 2.75Å
256H45.8Very low44.2Very low161 Ų16197.9 Ų97.975%0.74570%0.7SS**THydrogen-bonded Turntrans-103.64.4179.2-85.5-74000114.4A254A254-H256 VanDerWaalsContact C-N 3.3Å; A254-H256 PolarHBondContact O-N 3.33Å
257A41.6Very low43.2Very low82 Ų82102.1 Ų102.168%0.67871%0.709SS**SBendtrans-86.1-5.1-175.300000115.1
258D40Very low42.9Very low154 Ų154105 Ų10582%0.82472%0.717SS**SBendtrans-120.947.9-173.5-154-9.1000112.3
259S42Very low42.3Very low120 Ų120107 Ų10784%0.83972%0.715SS**SBendtrans-164.348.4177-76.70000112.8
260A36.1Very low41.6Very low96 Ų96110.8 Ų110.879%0.79372%0.722SS**  trans-142.741-177.200000115H262A260-H262 PolarHBondContact O-N 3.44Å
261A35.7Very low41.2Very low109 Ų109112.8 Ų112.890%0.90173%0.732SS**  trans-93.957.7174.500000112.8
262H38.5Very low40.7Very low168 Ų168116.6 Ų116.678%0.77875%0.748SS**  trans-155.4111.7169.9-164.9-96.4000114.2A260A260-H262 PolarHBondContact O-N 3.44Å
263V42.8Very low40.4Very low117 Ų117118.1 Ų118.171%0.70976%0.761SS**  trans54.7100.8152.4-175.40000118.5
264G36.9Very low39.9Very low77 Ų77123.2 Ų123.279%0.79477%0.773SS**  78.4109.7106.100000120.1
265G34.7Very low39.3Very low77 Ų77124.9 Ų124.979%0.79478%0.78SS**  99.7101.3128.900000118.7
266A42Very low38.9Very low105 Ų105127.1 Ų127.187%0.86879%0.785SS**  trans50.6121.6140.100000120.7
267F37.3Very low38.4Very low187 Ų187128.4 Ų128.482%0.8279%0.794SS**  161.6148.1102.7-177-116.6000110.3
268M43.1Very low38.4Very low167 Ų167130.8 Ų130.882%0.82380%0.8SS**  trans-81.8165.3-179.8-63-175.4179.900111.4
269Q39.9Very low38.9Very low152 Ų152131.9 Ų131.971%0.7180%0.802SS**  157.3113.5114.8-172.8164.7-33.200114.8
270M35.8Very low39.5Very low152 Ų152131.6 Ų131.675%0.74980%0.798SS**  trans65.1141.3138.2-144.596.980.400124.1
271S40.2Very low40.6Very low96 Ų96132.5 Ų132.567%0.67180%0.795SS**  trans69113.714341.80000119.1
272V35.5Very low41.6Very low143 Ų143132.8 Ų132.887%0.86779%0.788SS**  89.4144.871.5164.50000111.9
273A39.8Very low42.2Very low87 Ų87130.7 Ų130.772%0.71979%0.79SS**  trans73.5143.2176.200000115.9
274E37Very low42.3Very low177 Ų177133.1 Ų133.183%0.82780%0.798SS**  cis-155.7161.9-16.6-171.5147.1106.800110.5
275S34.5Very low42.4Very low111 Ų111134.1 Ų134.178%0.77680%0.799SS**  trans-31.2132.3173.3-51.10000117
276T38.3Very low42.7Very low131 Ų131136.1 Ų136.180%0.80480%0.796SS**  trans-142130.7149.4-70.90000110.3T278T276-T278 PolarHBondContact O-N 3.11Å
277M34.7Very low42.7Very low189 Ų189136 Ų13693%0.93179%0.788SS**  trans-70.9116-177.1-65.2-82.7-174.700111.6
278T41.8Very low42.8Very low132 Ų132137.5 Ų137.581%0.8179%0.789SS**  trans-142.9133160.9-54.20000109.9T276T276-T278 PolarHBondContact O-N 3.11Å
279M49.9Very low42.6Very low176 Ų176139.4 Ų139.487%0.86779%0.793SS**PPolyproline II helixtrans-61.1142.6-170.7-64.4-78.5-126.100113.8
280P56.2Low42.4Very low115 Ų115140.5 Ų140.575%0.74780%0.8SS**PPolyproline II helixtrans-78.2145.8172.632.4-34.1000112.2
281P59Low42.4Very low114 Ų114139.1 Ų139.174%0.7480%0.796SS**PPolyproline II helixtrans-70.9157.516931.2-34.4000111.4
282P54.8Low42.3Very low115 Ų115140.3 Ų140.375%0.74780%0.804SS**PPolyproline II helixtrans-69148.1-172.128.7-35.9000112.6L284P282-L284 PolarHBondContact O-N 3.45Å
283P52.2Low42.6Very low125 Ų125138 Ų13881%0.81279%0.794SS**PPolyproline II helixtrans-68.6128.3-18028.2-33.9000111.2A285P283-A285 PolarHBondContact O-N 2.94Å; P283-A285 VanDerWaalsContact O-N 3.08Å
284L44.2Very low42.4Very low167 Ų167138.8 Ų138.887%0.87479%0.793SS**  trans-61.8111.8168.8-82.7113.8000109.8P282 T286P282-L284 PolarHBondContact O-N 3.45Å; L284-T286 PolarHBondContact O-N 3.01Å
285A38.6Very low42.7Very low99 Ų99141.2 Ų141.282%0.81880%0.796SS**  trans-65.497.7-178.100000111.4P283 S287P283-A285 PolarHBondContact O-N 2.94Å; P283-A285 VanDerWaalsContact O-N 3.08Å; A285-S287 PolarHBondContact O-N 3.47Å
286T42.6Very low42.9Very low119 Ų119139.9 Ų139.973%0.7379%0.792SS**  trans-85.5105.9165.6-53.30000108.2L284 W288L284-T286 PolarHBondContact O-N 3.01Å; T286-W288 PolarHBondContact O-N 3.39Å; T286-W288 VanDerWaalsContact O-N 3.11Å
287S40.4Very low42.9Very low102 Ų102141.4 Ų141.471%0.71379%0.794SS**  trans-79.187.9-160.359.30000114.7A285A285-S287 PolarHBondContact O-N 3.47Å
288W41.3Very low43.3Very low219 Ų219137.9 Ų137.983%0.8379%0.785SS**  trans-147.461.7172.8-57.899.5000114.5T286T286-W288 PolarHBondContact O-N 3.39Å; T286-W288 VanDerWaalsContact O-N 3.11Å
289F38.7Very low43.1Very low207 Ų207136.8 Ų136.891%0.90878%0.783SS**  trans-148.5136.8156.7-128.2-88.7000112.5D291F289-D291 PolarHBondContact O-N 3.41Å
290M35.4Very low43Very low174 Ų174134.5 Ų134.586%0.85778%0.782SS**  trans-76.9115.5170.7-71.793.4147.200109.2
291D35.8Very low42.2Very low124 Ų124134.6 Ų134.666%0.66378%0.78SS**  trans-129.2123150.2-162.7-78.7000108.2F289 S293F289-D291 PolarHBondContact O-N 3.41Å; D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.46Å; D291-S293 PolarHBondContact OD1-OG 3.36Å
292S37.1Very low41.6Very low121 Ų121137.8 Ų137.885%0.84679%0.787SS**  trans-119.252.4176.2-66.80000109.3C294S292-C294 PolarHBondContact O-N 3.47Å
293S42.3Very low40.8Very low93 Ų93138.6 Ų138.665%0.6579%0.79SS**  trans-70.5114.9169.1-66.10000110.8D291D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.46Å; D291-S293 PolarHBondContact OD1-OG 3.36Å
294C36.3Very low39.9Very low104 Ų104136.8 Ų136.870%0.70379%0.786SS**  trans-64.1124.9171.248.40000112.1S292S292-C294 PolarHBondContact O-N 3.47Å
295Y42.9Very low39.7Very low229 Ų229137.8 Ų137.890%0.89879%0.786SS**  trans-163.5106.3148.7-87.6-60.6000113
296A38.2Very low39.5Very low82 Ų82136.6 Ų136.668%0.67878%0.776SS**  trans56.4127.4131.400000124.5
297L39.1Very low39.3Very low164 Ų164136.2 Ų136.286%0.85978%0.778SS**  trans80.2157.7142.4-65.1163000120.9
298P42.7Very low39.3Very low114 Ų114137.8 Ų137.874%0.7478%0.784SS**  cis-129.1167.3-19.931.4-12.1000115.3
299S37Very low38.9Very low110 Ų110132 Ų13277%0.76978%0.783SS**  trans-78.4153.4177.4-47.30000114.5
300P49.2Very low38.8Very low128 Ų128126.7 Ų126.783%0.83178%0.776SS**  trans-91.2111.7158.333.2-27.7000111.2
301T37.9Very low38.8Very low116 Ų116122.8 Ų122.871%0.71277%0.772SS**  trans-76.9126.6163.845.40000110.3
302M46.4Very low38.9Very low182 Ų182123.9 Ų123.990%0.89778%0.783SS**  trans-129.9115.1160.2-86.1-72.8102.800109.6
303T39.7Very low38.9Very low132 Ų132122.6 Ų122.681%0.8178%0.779SS**  trans-78.6137.7-171.9-41.70000110.7
304A33.4Very low38.6Very low87 Ų87122.6 Ų122.672%0.71979%0.785SS**  trans-75.7132171.300000110.9
305H38.1Very low38.7Very low188 Ų188122.7 Ų122.787%0.8779%0.794SS**  trans-161.1133.9147.6-127.9-97.5000113.9
306A36.3Very low38.5Very low74 Ų74119 Ų11961%0.61280%0.795SS**  trans50.2107.3148.300000122.2
307S37.1Very low38.8Very low111 Ų111118.9 Ų118.978%0.77680%0.802SS**  81.7141.4118.9-54.50000122.5
308T40.4Very low38.7Very low135 Ų135117.5 Ų117.583%0.82880%0.8SS**  trans101.690.3149.3-290000118.8
309A33.2Very low38.3Very low98 Ų98118.2 Ų118.281%0.8181%0.807SS**  trans29.5118.2136.600000122.6
310A36.9Very low38.4Very low94 Ų94120.3 Ų120.378%0.77781%0.809SS**  177.8121.5129.300000107.6
311A34.6Very low37.7Very low93 Ų93120.1 Ų120.177%0.76981%0.806SS**  47.9126.395.200000113.2
312V37.7Very low37.9Very low147 Ų147121.1 Ų121.189%0.89181%0.811SS**  cis-145.4161.246.9177.50000112.4
313A37.3Very low37.4Very low93 Ų93120.1 Ų120.177%0.76981%0.81SS**  trans-69.2-177176.200000113.5
314A35.7Very low37.3Very low94 Ų94117.4 Ų117.478%0.77781%0.808SS**  cis-159.7152.19.600000111.2
315A38.4Very low37.4Very low106 Ų106118.5 Ų118.588%0.87682%0.817SS**  trans-167.6107.2147.600000110.8
316T38.5Very low37.3Very low150 Ų150113.3 Ų113.392%0.9281%0.814SS**  trans-66151.6-174.343.30000116.3
317G44.7Very low37.5Very low81 Ų81115 Ų11584%0.83583%0.828SS**  trans179.948.5170.400000116.2
318T37Very low37.6Very low134 Ų134113.2 Ų113.282%0.82283%0.827SS**  trans-108.7127.8-174.148.80000114.6
319C35.7Very low37.6Very low130 Ų130114.2 Ų114.288%0.87883%0.827SS**  trans175.6151.7145.151.80000110.9
320N39.3Very low38.3Very low153 Ų153117.5 Ų117.582%0.81883%0.832SS**  cis-154.7157.1-32-163.514.1000108.3
321V33.3Very low38.8Very low125 Ų125120.2 Ų120.276%0.75883%0.833SS**  trans-91.4138.3175.3173.30000110
322V42.6Very low39.1Very low137 Ų137121.4 Ų121.483%0.8384%0.835SS**  trans-136130.5156.7-168.40000109.5
323N36.1Very low39.3Very low161 Ų161119 Ų11986%0.86183%0.831SS**  trans-86.9146179.7-136.2-9.5000109.9
324G36.7Very low39.3Very low74 Ų74119.8 Ų119.876%0.76384%0.837SS**  trans-156.790.6178.600000111.5
325A36.5Very low39.7Very low111 Ų111120.5 Ų120.592%0.91784%0.837SS**  trans-80.8142.7173.600000110.7
326G36.1Very low40.1Very low78 Ų78121.5 Ų121.580%0.80483%0.827SS**  trans-169.8110.417400000109.8
327A38.9Very low40.4Very low111 Ų111121.4 Ų121.492%0.91782%0.821SS**  trans-78.6155.1172.900000110.4
328G39.2Very low40.5Very low73 Ų73123.4 Ų123.475%0.75381%0.813SS**  trans173.788.8-179.600000110
329D40.1Very low41Very low155 Ų155123.8 Ų123.883%0.82981%0.81SS**  trans-64.6133.3162.5-55-83.5000108.8
330D49.1Very low41.1Very low168 Ų168124.3 Ų124.390%0.89880%0.804SS**  trans-159.8140.9160.3-99.8-38.6000110.7
331D47Very low41.2Very low151 Ų151123.1 Ų123.181%0.80781%0.806SS**  trans-81.7165.5-165.7-85.2-69000115.7
332S41.7Very low41.2Very low117 Ų117120 Ų12082%0.81880%0.799SS**  trans57.487.5146-65.80000119.3
333A42Very low41.1Very low96 Ų96120.5 Ų120.579%0.79381%0.806SS**  trans-132.979.3157.800000112.4S335A333-S335 PolarHBondContact O-N 3.39Å
334A36.1Very low41.2Very low110 Ų110116.1 Ų116.191%0.90980%0.798SS**  trans-70.373.6167.800000111.1N336A334-N336 PolarHBondContact O-N 3.49Å
335S45.3Very low41.5Very low110 Ų110117.7 Ų117.777%0.76980%0.798SS**  trans-89.485.8179.3-162.50000112.3A333A333-S335 PolarHBondContact O-N 3.39Å
336N45.7Very low42Very low126 Ų126117.2 Ų117.267%0.67479%0.794SS**  trans23.4101135.4-170.68.1000117.4A334 N338A334-N336 PolarHBondContact O-N 3.49Å; N336-N338 WeakPolarHBondContact OD1-CB 3.12Å; N336-N338 PolarHBondContact OD1-N 2.6Å
337N46.3Very low42.5Very low148 Ų148120.8 Ų120.879%0.79179%0.793SS**  trans-122.559150.6-168.512000109.3
338N45.4Very low43Very low124 Ų124123.6 Ų123.666%0.66379%0.787SS**  trans-70.5122.7167.3-176.36.7000109N336N336-N338 WeakPolarHBondContact OD1-CB 3.12Å; N336-N338 PolarHBondContact OD1-N 2.6Å
339N48.1Very low43.2Very low141 Ų141125 Ų12575%0.75479%0.785SS**  trans-149.996.9155.8-94.6-57.9000109.9
340N38.6Very low43.7Very low141 Ų141129.3 Ų129.375%0.75479%0.79SS**  trans72.684.5146.5-161.845.8000118.6
341C40Very low44.2Very low129 Ų129124.6 Ų124.687%0.87278%0.781SS**  trans-136.3128.4134.1-89.50000108
342G33.9Very low44.3Very low59 Ų59124 Ų12461%0.60878%0.778SS**  trans-71.5166-178.100000114G344G342-G344 PolarHBondContact O-N 2.94Å; G342-G344 VanDerWaalsContact O-N 3.15Å
343P39.4Very low44.7Very low148 Ų148125.3 Ų125.396%0.96177%0.773SS**SBendtrans-76102.9-176.531.2-33.3000110.6
344G38.8Very low45.4Very low68 Ų68126 Ų12670%0.70177%0.771SS**  trans166.940.2-179.600000117G342G342-G344 PolarHBondContact O-N 2.94Å; G342-G344 VanDerWaalsContact O-N 3.15Å
345S43.5Very low46.4Very low108 Ų108124.7 Ų124.776%0.75576%0.761SS**  trans-171.7102.3160.4-84.60000110.1I347S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.08Å
346A46.8Very low46.7Very low101 Ų101128.1 Ų128.184%0.83576%0.762SS**  trans-74.287.8169.200000109.1Q348A346-Q348 PolarHBondContact O-N 3.41Å
347I46.2Very low47.1Very low153 Ų153126.1 Ų126.179%0.78576%0.764SS**  trans-69.3106.7171.6-58.9-179.7000107.4S345 S349S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.08Å; I347-S349 PolarHBondContact O-N 2.83Å
348Q49.6Very low47.5Very low170 Ų170128.1 Ų128.179%0.79477%0.77SS**  trans-56.8136.3180-74.1152.1-4600110.8A346A346-Q348 PolarHBondContact O-N 3.41Å
349S43.9Very low47.8Very low102 Ų102129.4 Ų129.471%0.71378%0.777SS**  trans-61138.7170.948.90000109.4I347 G351I347-S349 PolarHBondContact O-N 2.83Å; S349-G351 PolarHBondContact O-N 2.87Å
350W51.1Low48.5Very low245 Ų245132.2 Ų132.293%0.92880%0.802SS**THydrogen-bonded Turntrans-73.340-176.7-69.624.5000113.3
351G59.7Low49Very low69 Ų69131.8 Ų131.871%0.71181%0.805SS**THydrogen-bonded Turntrans-109.2-12.1-178.100000114.9S349S349-G351 PolarHBondContact O-N 2.87Å
352D48.8Very low49.5Very low138 Ų138131.9 Ų131.974%0.73880%0.801SS**  trans-123.533-163.1-150.52.2000113.7S354D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 3.34Å
353M49.9Very low50.3Low146 Ų146135.9 Ų135.972%0.71981%0.812SS**  trans-92.252.8-176.1-148.181.480.700112.4A355 F356M353-A355 VanDerWaalsContact C-N 3.26Å; M353-A355 PolarHBondContact O-N 3.44Å; M353-F356 HydrophobicContact CG-CD2 4.46Å
354S56.3Low51Low109 Ų109135.2 Ų135.276%0.76280%0.803SS**  trans-84.36.5179.9-56.30000114D352D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 3.34Å
355A57.4Low51.7Low84 Ų84139.4 Ų139.469%0.69481%0.809SS**  trans-99.711-165.500000115.9M353M353-A355 VanDerWaalsContact C-N 3.26Å; M353-A355 PolarHBondContact O-N 3.44Å
356F50.8Low52.3Low181 Ų181141.5 Ų141.579%0.79481%0.813SS**  trans-110.749.3177.4-79.6-78.8000112.9M353M353-F356 HydrophobicContact CG-CD2 4.46Å
357A54.8Low52.7Low85 Ų85144.4 Ų144.470%0.70281%0.811SS**  trans-113.7137.7155.900000107.6
358M55.7Low53.2Low189 Ų189143.8 Ų143.893%0.93181%0.814SS**  trans7973.9-169.9-54.9-167.7151.300116.4
359L50.4Low53.5Low152 Ų152141.6 Ų141.680%0.79682%0.815SS**  trans-118.6151.8130.5-80.4171.1000107.1
360P62.8Low54.3Low199 Ų199145.2 Ų145.2100%1.29282%0.824SS**  trans-660-163.226.6-36.4000115.1

Retrieved 360 of 360 residues in 185 ms (Link to these results)