A0A087Y3S9_POEFO Loading...

E3 ubiquitin-protein ligase makorin-2

AlphaFold DB , UniProt , Accession A0A087Y3S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 398 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
1M48.3Very low68.9Low245 Ų245109.8 Ų109.8100%1.20752%0.515SS*.  0144.40-64.9179.7175.900108.4
2S53.9Low69.5Low86 Ų86109.2 Ų109.260%0.60152%0.517SS*.  trans-97.6122.7-170.1-171.30000112.1R4S2-R4 PolarHBondContact O-N 3.4Å; S2-R4 WeakPolarHBondContact OG-CG 3.43Å
3T64.3Low69.7Low62 Ų62109.8 Ų109.838%0.3852%0.518SS..EExtended strand (participates in β ladder)trans-95.427.7-173.841.10000114.4Q5 V6 L23T3-Q5 PolarHBondContact O-N 2.72Å; T3-V6 PolarHBondContact O-N 3.37Å; T3-V6 VanDerWaalsContact O-N 3.11Å; T3-L23 CarbonylContact C-O 3.52Å; T3-L23 PolarHBondContact OG1-O 3.02Å
4R65.8Low70Confident176 Ų176106.9 Ų106.966%0.66453%0.533SS*.EExtended strand (participates in β ladder)trans-626.7-178.2-72.7177.8177.9174.7-2.5116.4S2 S25S2-R4 PolarHBondContact O-N 3.4Å; S2-R4 WeakPolarHBondContact OG-CG 3.43Å; R4-S25 WeakPolarHBondContact O-CB 3.35Å
5Q64.8Low70.9Confident163 Ų163105.9 Ų105.976%0.76254%0.535SS*.EExtended strand (participates in β ladder)trans-103.5-11.1175.1-67.1175.2-9.600113.3T3 S31 K32T3-Q5 PolarHBondContact O-N 2.72Å; Q5-S31 VanDerWaalsContact O-CA 3.31Å; Q5-S31 WeakPolarHBondContact O-CA 3.48Å; Q5-S31 WeakPolarHBondContact O-CB 3.38Å; Q5-K32 PolarHBondContact O-N 3.41Å; Q5-K32 VanDerWaalsContact O-N 3.09Å
6V71.6Confident71.5Confident46 Ų46101.2 Ų101.228%0.27951%0.514SS..EExtended strand (participates in β ladder)trans-101.6136.1179.7-179.80000109.7T3 F24 S25T3-V6 PolarHBondContact O-N 3.37Å; T3-V6 VanDerWaalsContact O-N 3.11Å; V6-F24 HydrophobicContact CB-CD1 4.37Å; V6-F24 HydrophobicContact CG1-CD1 4.49Å; V6-S25 PolarHBondContact O-N 3.29Å
7T79.7Confident72.1Confident24 Ų24108.9 Ų108.915%0.14754%0.535CS..EExtended strand (participates in β ladder)trans-61.6135178.839.90000112.7R9 L28 S31 K32T7-R9 PolarHBondContact O-N 3.03Å; T7-L28 HydrophobicContact CG2-CD1 4.18Å; T7-S31 WeakPolarHBondContact CG2-OG 3.45Å; T7-K32 PolarHBondContact N-O 2.82Å
8C77.9Confident72.4Confident3 Ų3109.6 Ų109.62%0.0254%0.537CS..  trans-73.2107.6169.8-176.10000110.3Y10 F11 L12 C22 F24 S25 H26C8-Y10 VanDerWaalsContact C-N 3.26Å; C8-Y10 PolarHBondContact O-N 3.45Å; C8-F11 HydrophobicContact CB-CB 3.76Å; C8-F11 WeakPolarHBondContact O-CB 3.39Å; C8-F11 PolarHBondContact O-N 3.23Å; C8-F11 VanDerWaalsContact O-N 3.1Å; C8-L12 PolarHBondContact O-N 3.02Å; C8-C22 VanDerWaalsContact SG-SG 3.62Å; C8-F24 HydrophobicContact CB-CB 3.65Å; C8-S25 WeakPolarHBondContact CB-O 3.49Å; C8-S25 PolarHBondContact N-O 3.02Å; C8-H26 VanDerWaalsContact CB-CD2 3.41Å; C8-H26 WeakPolarHBondContact CB-CD2 3.44Å
9R76.6Confident72.5Confident147 Ų147105.7 Ų105.756%0.55553%0.528SS*.Hα-helixtrans-60.8-33.5178.9-174.6172.8-179.4177-1.2113.2T7 F11 L12 H13 Y53T7-R9 PolarHBondContact O-N 3.03Å; R9-F11 VanDerWaalsContact C-N 3.35Å; R9-L12 PolarHBondContact O-N 3.19Å; R9-H13 PolarHBondContact O-CD2 3.03Å; R9-H13 PolarHBondContact O-N 3.25Å; R9-Y53 PolarHBondContact NH1-OH 3Å
10Y77.3Confident72.5Confident160 Ų160106.2 Ų106.263%0.62754%0.542SS*.Hα-helixtrans-70.5-32176.7-61.7-65.1000112.2C8 H13 G14 V15 C16C8-Y10 VanDerWaalsContact C-N 3.26Å; C8-Y10 PolarHBondContact O-N 3.45Å; Y10-H13 CarbonylContact O-C 3.47Å; Y10-H13 PolarHBondContact O-N 3.42Å; Y10-G14 PolarHBondContact O-N 3.37Å; Y10-V15 HydrophobicContact CD1-CG2 4.15Å; Y10-V15 WeakPolarHBondContact O-CG2 3.34Å; Y10-V15 PolarHBondContact O-N 2.88Å; Y10-C16 PolarHBondContact O-N 3.08Å
11F78.1Confident72.6Confident96 Ų96107.7 Ų107.742%0.42155%0.551SS.*Hα-helixtrans-71.3-41.3173.7-176.6-102.5000111.5C8 R9 H13 G14 C16 H26C8-F11 HydrophobicContact CB-CB 3.76Å; C8-F11 WeakPolarHBondContact O-CB 3.39Å; C8-F11 PolarHBondContact O-N 3.23Å; C8-F11 VanDerWaalsContact O-N 3.1Å; R9-F11 VanDerWaalsContact C-N 3.35Å; F11-H13 PolarHBondContact O-N 3.08Å; F11-H13 VanDerWaalsContact O-N 3.15Å; F11-G14 PolarHBondContact O-N 3.07Å; F11-C16 HydrophobicContact CB-CB 3.99Å; F11-H26 VanDerWaalsContact CB-CD2 3.5Å; F11-H26 WeakPolarHBondContact CB-CD2 3.38Å; F11-H26 HydrophobicContact CD1-CB 3.77Å; F11-H26 AromaticContact CD1-CG 3.91Å; F11-H26 HydrophobicContact CD2-CB 4.1Å; F11-H26 AromaticContact CD2-CD2 3.92Å; F11-H26 AromaticContact CD2-CE1 3.7Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.43Å; F11-H26 WeakPolarHBondContact CD2-ND1 3.33Å; F11-H26 AromaticContact CD2-NE2 3.98Å; F11-H26 HydrophobicContact CE1-CB 3.75Å; F11-H26 WeakPolarHBondContact CE1-O 3.46Å; F11-H26 HydrophobicContact CE2-CB 4.08Å; F11-H26 AromaticContact CE2-CG 3.96Å; F11-H26 AromaticContact CE2-ND1 3.76Å; F11-H26 HydrophobicContact CG-CB 3.95Å; F11-H26 AromaticContact CG-CD2 3.57Å; F11-H26 AromaticContact CG-CG 3.55Å; F11-H26 AromaticContact CG-ND1 3.9Å; F11-H26 AromaticContact CG-NE2 3.93Å; F11-H26 HydrophobicContact CZ-CB 3.9Å
12L75.9Confident73.9Confident102 Ų10296.8 Ų96.853%0.53450%0.499SS..Hα-helixtrans-57.9-27.1174.1-175.263.7000113.3C8 R9 L28C8-L12 PolarHBondContact O-N 3.02Å; R9-L12 PolarHBondContact O-N 3.19Å; L12-L28 HydrophobicContact CD1-CD1 3.97Å
13H71.4Confident74.8Confident117 Ų11798.4 Ų98.454%0.54250%0.5SS..THydrogen-bonded Turntrans-100.99174.7-64.3-57.7000113.9R9 Y10 F11 V15R9-H13 PolarHBondContact O-CD2 3.03Å; R9-H13 PolarHBondContact O-N 3.25Å; Y10-H13 CarbonylContact O-C 3.47Å; Y10-H13 PolarHBondContact O-N 3.42Å; F11-H13 PolarHBondContact O-N 3.08Å; F11-H13 VanDerWaalsContact O-N 3.15Å; H13-V15 HydrophobicContact CB-CG2 4.21Å; H13-V15 PolarHBondContact O-N 3.32Å
14G74.9Confident75.3Confident70 Ų7099 Ų9972%0.72250%0.498SS*.THydrogen-bonded Turntrans73.316.617500000116.2Y10 F11Y10-G14 PolarHBondContact O-N 3.37Å; F11-G14 PolarHBondContact O-N 3.07Å
15V82.8Confident75.8Confident92 Ų9291.3 Ų91.356%0.55847%0.471SS*.  trans-123.610.9-170.5-65.10000114.7Y10 H13Y10-V15 HydrophobicContact CD1-CG2 4.15Å; Y10-V15 WeakPolarHBondContact O-CG2 3.34Å; Y10-V15 PolarHBondContact O-N 2.88Å; H13-V15 HydrophobicContact CB-CG2 4.21Å; H13-V15 PolarHBondContact O-N 3.32Å
16C81.2Confident76.3Confident30 Ų3085.4 Ų85.420%0.20344%0.443CS..  trans-71.5131.6175.5-168.70000111.3Y10 F11 H26Y10-C16 PolarHBondContact O-N 3.08Å; F11-C16 HydrophobicContact CB-CB 3.99Å; C16-H26 PolarHBondContact SG-NE2 3.15Å; C16-H26 VanDerWaalsContact SG-NE2 3.38Å
17R81.1Confident76.3Confident233 Ų23388.5 Ų88.588%0.87946%0.458SS*.  trans-100.3-25.8-179-64.6-176.3178-172.8-1.8113.3G19R17-G19 PolarHBondContact O-N 3.27Å
18E77.9Confident75.6Confident120 Ų12092.5 Ų92.556%0.56148%0.478SS*.SBendtrans-69-9.9-176.6-82.156.8-138.600115.4S20 N21 C22E18-S20 PolarHBondContact O-N 3.43Å; E18-N21 WeakPolarHBondContact O-CB 3.36Å; E18-N21 PolarHBondContact O-N 3.19Å; E18-C22 HydrophobicContact CB-CB 4.04Å
19G74.3Confident75Confident36 Ų36100.7 Ų100.737%0.37152%0.522SS..G310 helixtrans53.8-132177.600000113R17 N21 C22 H26R17-G19 PolarHBondContact O-N 3.27Å; G19-N21 PolarHBondContact O-N 3.2Å; G19-C22 PolarHBondContact O-N 2.99Å; G19-H26 PolarHBondContact O-CE1 3.42Å; G19-H26 PolarHBondContact O-ND1 2.98Å
20S72.2Confident74.3Confident115 Ų115100.2 Ų100.280%0.80453%0.53SS*.G310 helixtrans-69.4-12.5177.448.20000114.6E18 C22E18-S20 PolarHBondContact O-N 3.43Å; S20-C22 VanDerWaalsContact C-N 3.33Å
21N74.6Confident73.6Confident138 Ų13893.1 Ų93.174%0.73850%0.504SS*.G310 helixtrans-89.34.9177.6-70.2-41.4000113.3E18 G19E18-N21 WeakPolarHBondContact O-CB 3.36Å; E18-N21 PolarHBondContact O-N 3.19Å; G19-N21 PolarHBondContact O-N 3.2Å
22C75.6Confident72.8Confident16 Ų1696.9 Ų96.911%0.10852%0.52CS..  trans-62.3140.3-179.7-160.50000112.3C8 E18 G19 S20 F24 H26C8-C22 VanDerWaalsContact SG-SG 3.62Å; E18-C22 HydrophobicContact CB-CB 4.04Å; G19-C22 PolarHBondContact O-N 2.99Å; S20-C22 VanDerWaalsContact C-N 3.33Å; C22-F24 PolarHBondContact O-N 3.31Å; C22-H26 WeakPolarHBondContact CB-NE2 3.31Å
23L73.3Confident72Confident120 Ų12096.7 Ų96.763%0.62853%0.525SS*.SBendtrans-72.6-5.8175.9-61.7175.1000113.4T3T3-L23 CarbonylContact C-O 3.52Å; T3-L23 PolarHBondContact OG1-O 3.02Å
24F74.6Confident71.5Confident76 Ų7694 Ų9433%0.33352%0.519SS..EExtended strand (participates in β ladder)trans-124.5151.5-179.4-57.6-74.1000109.4V6 C8 C22V6-F24 HydrophobicContact CB-CD1 4.37Å; V6-F24 HydrophobicContact CG1-CD1 4.49Å; C8-F24 HydrophobicContact CB-CB 3.65Å; C22-F24 PolarHBondContact O-N 3.31Å
25S77.1Confident71.1Confident13 Ų1394.3 Ų94.39%0.09151%0.507CS..EExtended strand (participates in β ladder)trans-71.6140.1-174.8-167.90000112.7R4 V6 C8 D27 S31R4-S25 WeakPolarHBondContact O-CB 3.35Å; V6-S25 PolarHBondContact O-N 3.29Å; C8-S25 WeakPolarHBondContact CB-O 3.49Å; C8-S25 PolarHBondContact N-O 3.02Å; S25-D27 PolarHBondContact OG-N 3.19Å; S25-D27 VanDerWaalsContact OG-N 3.1Å; S25-S31 VanDerWaalsContact CB-CB 3.46Å
26H74.3Confident70.6Confident40 Ų4092.7 Ų92.719%0.18550%0.495CS..  trans-96.4-10.4167.5-67.5-177.3000111.7C8 F11 C16 G19 C22 L28C8-H26 VanDerWaalsContact CB-CD2 3.41Å; C8-H26 WeakPolarHBondContact CB-CD2 3.44Å; F11-H26 VanDerWaalsContact CB-CD2 3.5Å; F11-H26 WeakPolarHBondContact CB-CD2 3.38Å; F11-H26 HydrophobicContact CD1-CB 3.77Å; F11-H26 AromaticContact CD1-CG 3.91Å; F11-H26 HydrophobicContact CD2-CB 4.1Å; F11-H26 AromaticContact CD2-CD2 3.92Å; F11-H26 AromaticContact CD2-CE1 3.7Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.43Å; F11-H26 WeakPolarHBondContact CD2-ND1 3.33Å; F11-H26 AromaticContact CD2-NE2 3.98Å; F11-H26 HydrophobicContact CE1-CB 3.75Å; F11-H26 WeakPolarHBondContact CE1-O 3.46Å; F11-H26 HydrophobicContact CE2-CB 4.08Å; F11-H26 AromaticContact CE2-CG 3.96Å; F11-H26 AromaticContact CE2-ND1 3.76Å; F11-H26 HydrophobicContact CG-CB 3.95Å; F11-H26 AromaticContact CG-CD2 3.57Å; F11-H26 AromaticContact CG-CG 3.55Å; F11-H26 AromaticContact CG-ND1 3.9Å; F11-H26 AromaticContact CG-NE2 3.93Å; F11-H26 HydrophobicContact CZ-CB 3.9Å; C16-H26 PolarHBondContact SG-NE2 3.15Å; C16-H26 VanDerWaalsContact SG-NE2 3.38Å; G19-H26 PolarHBondContact O-CE1 3.42Å; G19-H26 PolarHBondContact O-ND1 2.98Å; C22-H26 WeakPolarHBondContact CB-NE2 3.31Å; H26-L28 PolarHBondContact O-N 3.41Å; H26-L28 VanDerWaalsContact O-N 3.08Å
27D72.5Confident70.4Confident110 Ų11091.2 Ų91.259%0.58849%0.485SS*.  trans-80.492-180-63.4-44.8000111.1S25 N29 N30 S31S25-D27 PolarHBondContact OG-N 3.19Å; S25-D27 VanDerWaalsContact OG-N 3.1Å; D27-N29 PolarHBondContact O-N 2.87Å; D27-N29 VanDerWaalsContact O-N 3.1Å; D27-N30 HydrophobicContact CB-CB 4.32Å; D27-N30 PolarHBondContact O-N 2.96Å; D27-S31 PolarHBondContact O-N 3.4Å; D27-S31 PolarHBondContact O-OG 3.45Å
28L64Low70.2Confident109 Ų10986.5 Ų86.557%0.57147%0.471SS*.THydrogen-bonded Turntrans-61.2-21.3-175.8-157.370.2000113.7T7 L12 H26T7-L28 HydrophobicContact CG2-CD1 4.18Å; L12-L28 HydrophobicContact CD1-CD1 3.97Å; H26-L28 PolarHBondContact O-N 3.41Å; H26-L28 VanDerWaalsContact O-N 3.08Å
29N65.1Low70.1Confident175 Ų17588.2 Ų88.294%0.93647%0.473SS*.THydrogen-bonded Turntrans-82.2-19.7176.2-71.6-3.4000113.9D27D27-N29 PolarHBondContact O-N 2.87Å; D27-N29 VanDerWaalsContact O-N 3.1Å
30N62.6Low70.3Confident136 Ų13690 Ų9073%0.72747%0.469SS*.SBendtrans-124.113.3-170.8-164.325.7000113.4D27D27-N30 HydrophobicContact CB-CB 4.32Å; D27-N30 PolarHBondContact O-N 2.96Å
31S61.7Low70.5Confident12 Ų1288.7 Ų88.78%0.08445%0.451CS..  trans-133.4135.3-178.8540000112.3Q5 T7 S25 D27Q5-S31 VanDerWaalsContact O-CA 3.31Å; Q5-S31 WeakPolarHBondContact O-CA 3.48Å; Q5-S31 WeakPolarHBondContact O-CB 3.38Å; T7-S31 WeakPolarHBondContact CG2-OG 3.45Å; S25-S31 VanDerWaalsContact CB-CB 3.46Å; D27-S31 PolarHBondContact O-N 3.4Å; D27-S31 PolarHBondContact O-OG 3.45Å
32K61.3Low70.4Confident175 Ų17591.5 Ų91.576%0.76145%0.451SS*.BIsolated β-bridgetrans-92.5136.2-176.2-64.8-178.9-178.5179.50109.5Q5 T7 S34Q5-K32 PolarHBondContact O-N 3.41Å; Q5-K32 VanDerWaalsContact O-N 3.09Å; T7-K32 PolarHBondContact N-O 2.82Å; K32-S34 PolarHBondContact O-N 3.29Å
33P59.8Low70Confident98 Ų9893.7 Ų93.764%0.63648%0.476SS*.  trans-60.1123.7166.6-20.432.6000109.7T35P33-T35 PolarHBondContact O-N 3.38Å
34S61.6Low69.9Low59 Ų5993.6 Ų93.641%0.41348%0.481SS..  trans-70.6113.3174.1-179.30000109.6K32K32-S34 PolarHBondContact O-N 3.29Å
35T66.6Low70.2Confident78 Ų7890.8 Ų90.848%0.47947%0.47SS..  trans-79.1-21.8172.261.10000112.2P33 Y53 D54P33-T35 PolarHBondContact O-N 3.38Å; T35-Y53 CarbonylContact O-C 3.36Å; T35-Y53 WeakPolarHBondContact O-CA 3.39Å; T35-Y53 VanDerWaalsContact O-CB 3.27Å; T35-Y53 WeakPolarHBondContact O-CB 3.4Å; T35-Y53 WeakPolarHBondContact O-CD1 3.48Å; T35-D54 WeakPolarHBondContact CB-OD2 3.14Å; T35-D54 PolarHBondContact O-N 3.37Å; T35-D54 PolarHBondContact OG1-OD2 2.78Å
36I71.9Confident69.9Low57 Ų5795 Ų9529%0.29251%0.506SS..BIsolated β-bridgetrans-74.3140-172.4-51.1175.3000112.7K38 Q41 V56I36-K38 PolarHBondContact O-N 3Å; I36-Q41 HydrophobicContact CG2-CG 4.03Å; I36-V56 HydrophobicContact CD1-CG2 4.46Å; I36-V56 HydrophobicContact CG1-CG2 4.19Å; I36-V56 HydrophobicContact CG2-CB 4.31Å; I36-V56 HydrophobicContact CG2-CG2 4.34Å
37C77.1Confident69.4Low0 Ų0100.9 Ų100.90%053%0.528CS..  trans-77.4103.8-177.9-174.30000113.4Y39 Y40 Q41 C51 D54 H55C37-Y39 PolarHBondContact O-N 3.02Å; C37-Y39 VanDerWaalsContact O-N 3.14Å; C37-Y40 PolarHBondContact O-N 3.06Å; C37-Y40 PolarHBondContact SG-N 2.94Å; C37-Y40 VanDerWaalsContact SG-N 3.41Å; C37-Q41 PolarHBondContact O-N 2.99Å; C37-C51 VanDerWaalsContact SG-SG 3.61Å; C37-D54 WeakPolarHBondContact CB-O 3.41Å; C37-D54 PolarHBondContact N-O 3.14Å; C37-H55 VanDerWaalsContact CB-CD2 3.46Å; C37-H55 WeakPolarHBondContact CB-CD2 3.47Å
38K76.4Confident69.3Low133 Ų13397.2 Ų97.258%0.57852%0.516SS*.THydrogen-bonded Turntrans-59.5-23.1175.4-171.2173.3-178.9179.80114.2I36 R42I36-K38 PolarHBondContact O-N 3Å; K38-R42 WeakPolarHBondContact O-CD 3.46Å; K38-R42 VanDerWaalsContact O-CG 3.27Å; K38-R42 WeakPolarHBondContact O-CG 3.31Å
39Y76.3Confident69.1Low156 Ų156100 Ų10061%0.61253%0.526SS*.THydrogen-bonded Turntrans-78.5-43.7176.1-64.6-77.9000111.5C37 Q41 R42 T44C37-Y39 PolarHBondContact O-N 3.02Å; C37-Y39 VanDerWaalsContact O-N 3.14Å; Y39-Q41 PolarHBondContact O-N 3.33Å; Y39-R42 CarbonylContact O-C 3.58Å; Y39-R42 WeakPolarHBondContact O-CA 3.49Å; Y39-R42 PolarHBondContact O-N 3.46Å; Y39-T44 CarbonylContact C-O 3.47Å; Y39-T44 CarbonylContact O-C 3.58Å; Y39-T44 PolarHBondContact O-N 3.49Å; Y39-T44 VanDerWaalsContact O-O 3.13Å
40Y77.6Confident69Low74 Ų74101.2 Ų101.229%0.2952%0.517SS..G310 helixtrans-63.5-40.1173.3-171.2-101.8000112.2C37 R42 G43 C45 H55C37-Y40 PolarHBondContact O-N 3.06Å; C37-Y40 PolarHBondContact SG-N 2.94Å; C37-Y40 VanDerWaalsContact SG-N 3.41Å; Y40-R42 PolarHBondContact O-N 3.19Å; Y40-G43 PolarHBondContact O-N 3.41Å; Y40-C45 HydrophobicContact CD2-CB 4.38Å; Y40-H55 HydrophobicContact CD1-CB 3.79Å; Y40-H55 AromaticContact CD1-CG 3.99Å; Y40-H55 HydrophobicContact CD2-CB 4.07Å; Y40-H55 AromaticContact CD2-CD2 3.97Å; Y40-H55 AromaticContact CD2-CE1 3.54Å; Y40-H55 AromaticContact CD2-CG 3.56Å; Y40-H55 AromaticContact CD2-ND1 3.29Å; Y40-H55 VanDerWaalsContact CD2-ND1 3.29Å; Y40-H55 WeakPolarHBondContact CD2-ND1 3.41Å; Y40-H55 AromaticContact CD2-NE2 3.95Å; Y40-H55 HydrophobicContact CE1-CB 3.81Å; Y40-H55 WeakPolarHBondContact CE1-O 3.21Å; Y40-H55 HydrophobicContact CE2-CB 4.08Å; Y40-H55 AromaticContact CE2-CG 3.95Å; Y40-H55 AromaticContact CE2-ND1 3.6Å; Y40-H55 HydrophobicContact CG-CB 3.91Å; Y40-H55 AromaticContact CG-CD2 3.7Å; Y40-H55 AromaticContact CG-CG 3.56Å; Y40-H55 AromaticContact CG-ND1 3.81Å; Y40-H55 AromaticContact CG-NE2 3.97Å
41Q76.9Confident69.4Low88 Ų8896 Ų9641%0.41149%0.492SS..G310 helixtrans-60.6-13.9170.8-73.4-175-47.100114.3I36 C37 Y39 H58I36-Q41 HydrophobicContact CG2-CG 4.03Å; C37-Q41 PolarHBondContact O-N 2.99Å; Y39-Q41 PolarHBondContact O-N 3.33Å; Q41-H58 PolarHBondContact NE2-NE2 3.23Å
42R72.4Confident69.8Low196 Ų196105.4 Ų105.474%0.7453%0.525SS*.G310 helixtrans-104.416174.3-64.7175.890.4-168.46.1112.6K38 Y39 Y40K38-R42 WeakPolarHBondContact O-CD 3.46Å; K38-R42 VanDerWaalsContact O-CG 3.27Å; K38-R42 WeakPolarHBondContact O-CG 3.31Å; Y39-R42 CarbonylContact O-C 3.58Å; Y39-R42 WeakPolarHBondContact O-CA 3.49Å; Y39-R42 PolarHBondContact O-N 3.46Å; Y40-R42 PolarHBondContact O-N 3.19Å
43G66Low70.5Confident63 Ų63101.2 Ų101.265%0.64951%0.505SS*.THydrogen-bonded Turntrans97.4-29.6172.900000115.1Y40Y40-G43 PolarHBondContact O-N 3.41Å
44T73Confident71Confident117 Ų117100.3 Ų100.372%0.71850%0.495SS*.  trans-139.4120.5-173-48.50000111.9Y39Y39-T44 CarbonylContact C-O 3.47Å; Y39-T44 CarbonylContact O-C 3.58Å; Y39-T44 PolarHBondContact O-N 3.49Å; Y39-T44 VanDerWaalsContact O-O 3.13Å
45C79.1Confident71.7Confident17 Ų1799.3 Ų99.312%0.11548%0.484CS..  trans-119113171.2-176.60000110Y40 Y47 G48 H55Y40-C45 HydrophobicContact CD2-CB 4.38Å; C45-Y47 PolarHBondContact O-N 3.22Å; C45-G48 PolarHBondContact O-N 2.96Å; C45-H55 PolarHBondContact SG-NE2 3.14Å
46A71.1Confident71.9Confident102 Ų10299.1 Ų99.184%0.84348%0.482SS*.THydrogen-bonded Turntrans-60.3-12.5-179.800000114.9
47Y63.8Low71.4Confident163 Ų163104.5 Ų104.564%0.63950%0.504SS*.THydrogen-bonded Turntrans-92.6-9.5177.6-57.5-80.5000113.7C45 R50C45-Y47 PolarHBondContact O-N 3.22Å; Y47-R50 PolarHBondContact O-N 3.38Å; Y47-R50 VanDerWaalsContact O-N 3.15Å
48G70.6Confident70.3Confident33 Ų33111.5 Ų111.534%0.3454%0.536SS..G310 helixtrans52.1-147.3-177.400000113C45 R50 C51 H55C45-G48 PolarHBondContact O-N 2.96Å; G48-R50 PolarHBondContact O-N 3.4Å; G48-C51 WeakPolarHBondContact O-CB 3.27Å; G48-C51 PolarHBondContact O-N 3.32Å; G48-H55 PolarHBondContact O-CE1 2.7Å; G48-H55 PolarHBondContact O-ND1 3.24Å
49E61.1Low68.7Low168 Ų168110.6 Ų110.679%0.78555%0.546SS*.G310 helixtrans-56.5-12.7175.6-60.5-5510600114.5
50R61.9Low67Low200 Ų200111.6 Ų111.676%0.75556%0.559SS**G310 helixtrans-95.115.7177.8-64.2-178.9-71.9-139-1.1113.1Y47 G48Y47-R50 PolarHBondContact O-N 3.38Å; Y47-R50 VanDerWaalsContact O-N 3.15Å; G48-R50 PolarHBondContact O-N 3.4Å
51C71.8Confident65.3Low27 Ų27119.7 Ų119.718%0.18259%0.589CS.*  trans-65.9147.6176-160.40000112.3C37 G48 Y53 H55C37-C51 VanDerWaalsContact SG-SG 3.61Å; G48-C51 WeakPolarHBondContact O-CB 3.27Å; G48-C51 PolarHBondContact O-N 3.32Å; C51-Y53 PolarHBondContact O-N 2.98Å; C51-H55 WeakPolarHBondContact CB-NE2 3.31Å
52R70.6Confident63.1Low209 Ų209119.1 Ų119.179%0.78961%0.607SS**SBendtrans-73.7-4.8173.8178161.5176.368.55.5113.7
53Y75.5Confident61.1Low87 Ų87114 Ų11434%0.34161%0.614SS.*SBendtrans-129.9144.7-174.6-63.9-79000109.9R9 T35 C51 H55R9-Y53 PolarHBondContact NH1-OH 3Å; T35-Y53 CarbonylContact O-C 3.36Å; T35-Y53 WeakPolarHBondContact O-CA 3.39Å; T35-Y53 VanDerWaalsContact O-CB 3.27Å; T35-Y53 WeakPolarHBondContact O-CB 3.4Å; T35-Y53 WeakPolarHBondContact O-CD1 3.48Å; C51-Y53 PolarHBondContact O-N 2.98Å; Y53-H55 PolarHBondContact O-CD2 2.86Å; Y53-H55 VanDerWaalsContact O-CD2 3.31Å; Y53-H55 PolarHBondContact O-N 3.32Å
54D70.4Confident59.4Low79 Ų79114.9 Ų114.942%0.42262%0.624SS.*BIsolated β-bridgetrans-65.8130.9-168.2-49.7-29.7000112T35 C37 V56T35-D54 WeakPolarHBondContact CB-OD2 3.14Å; T35-D54 PolarHBondContact O-N 3.37Å; T35-D54 PolarHBondContact OG1-OD2 2.78Å; C37-D54 WeakPolarHBondContact CB-O 3.41Å; C37-D54 PolarHBondContact N-O 3.14Å; D54-V56 VanDerWaalsContact C-N 3.27Å; D54-V56 HydrophobicContact CB-CG2 3.91Å; D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact O-N 3.13Å
55H76.5Confident57.2Low38 Ų38113.3 Ų113.318%0.17663%0.631CS.*  trans-88.458.1179-80.1-162.4000111.7C37 Y40 C45 G48 C51 Y53 K57C37-H55 VanDerWaalsContact CB-CD2 3.46Å; C37-H55 WeakPolarHBondContact CB-CD2 3.47Å; Y40-H55 HydrophobicContact CD1-CB 3.79Å; Y40-H55 AromaticContact CD1-CG 3.99Å; Y40-H55 HydrophobicContact CD2-CB 4.07Å; Y40-H55 AromaticContact CD2-CD2 3.97Å; Y40-H55 AromaticContact CD2-CE1 3.54Å; Y40-H55 AromaticContact CD2-CG 3.56Å; Y40-H55 AromaticContact CD2-ND1 3.29Å; Y40-H55 VanDerWaalsContact CD2-ND1 3.29Å; Y40-H55 WeakPolarHBondContact CD2-ND1 3.41Å; Y40-H55 AromaticContact CD2-NE2 3.95Å; Y40-H55 HydrophobicContact CE1-CB 3.81Å; Y40-H55 WeakPolarHBondContact CE1-O 3.21Å; Y40-H55 HydrophobicContact CE2-CB 4.08Å; Y40-H55 AromaticContact CE2-CG 3.95Å; Y40-H55 AromaticContact CE2-ND1 3.6Å; Y40-H55 HydrophobicContact CG-CB 3.91Å; Y40-H55 AromaticContact CG-CD2 3.7Å; Y40-H55 AromaticContact CG-CG 3.56Å; Y40-H55 AromaticContact CG-ND1 3.81Å; Y40-H55 AromaticContact CG-NE2 3.97Å; C45-H55 PolarHBondContact SG-NE2 3.14Å; G48-H55 PolarHBondContact O-CE1 2.7Å; G48-H55 PolarHBondContact O-ND1 3.24Å; C51-H55 WeakPolarHBondContact CB-NE2 3.31Å; Y53-H55 PolarHBondContact O-CD2 2.86Å; Y53-H55 VanDerWaalsContact O-CD2 3.31Å; Y53-H55 PolarHBondContact O-N 3.32Å; H55-K57 PolarHBondContact O-N 3.29Å; H55-K57 VanDerWaalsContact O-N 3.12Å
56V69.9Low54.9Low74 Ų74116.8 Ų116.845%0.44866%0.661SS.*  trans-72.3106.8-179.3-171.40000110.4I36 D54I36-V56 HydrophobicContact CD1-CG2 4.46Å; I36-V56 HydrophobicContact CG1-CG2 4.19Å; I36-V56 HydrophobicContact CG2-CB 4.31Å; I36-V56 HydrophobicContact CG2-CG2 4.34Å; D54-V56 VanDerWaalsContact C-N 3.27Å; D54-V56 HydrophobicContact CB-CG2 3.91Å; D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact O-N 3.13Å
57K62.4Low53Low171 Ų171117.9 Ų117.974%0.74366%0.662SS**  trans-71.6125.4171.7-167.5174.5-176.2178.60109.3H55 S59H55-K57 PolarHBondContact O-N 3.29Å; H55-K57 VanDerWaalsContact O-N 3.12Å; K57-S59 PolarHBondContact O-N 3.32Å
58H52.3Low51.4Low146 Ų146114.6 Ų114.668%0.67667%0.669SS**  trans-67.5105.6-179.5-83.7-95.3000111.1Q41 M60Q41-H58 PolarHBondContact NE2-NE2 3.23Å; H58-M60 PolarHBondContact O-N 3.26Å
59S43.9Very low49.4Very low114 Ų114120 Ų12080%0.79769%0.69SS**  trans-78.5109.9173.3-1750000110.8K57 R61K57-S59 PolarHBondContact O-N 3.32Å; S59-R61 PolarHBondContact O-N 2.88Å
60M40.9Very low48.7Very low178 Ų178117.5 Ų117.588%0.87769%0.688SS**  trans-86.899.4166.9-78.1-66.3-16200109.5H58H58-M60 PolarHBondContact O-N 3.26Å
61R40.3Very low47Very low244 Ų244112.7 Ų112.792%0.92169%0.691SS**  trans35.3106.4159.9-67.7-179.1170.5-120.2-0.5117.8S59S59-R61 PolarHBondContact O-N 2.88Å
62G32.1Very low45Very low76 Ų76115.4 Ų115.478%0.78472%0.724SS**  trans-170.589.5164.900000115.9
63G30.3Very low43Very low87 Ų87110.9 Ų110.990%0.89773%0.731SS**  trans45119.2150.500000123.4
64G29.7Very low40.8Very low83 Ų83110.5 Ų110.586%0.85675%0.754SS**  107.196.7124.900000120.4
65G26.9Very low38.8Very low83 Ų83118.8 Ų118.886%0.85678%0.779SS**  trans72.7168.615600000117.9
66A31.6Very low36.5Very low90 Ų90120.4 Ų120.474%0.74481%0.806SS**  cis-167.1141.9-24.900000109.7
67S30.1Very low34.6Very low126 Ų126123.7 Ų123.788%0.88183%0.826SS**  trans64.5150.4166.5-58.40000117.7
68A30.1Very low32.9Very low94 Ų94126.5 Ų126.578%0.77783%0.832SS**  cis-155.6155.6-1900000111.1
69D30Very low31.8Very low146 Ų146122.4 Ų122.478%0.78183%0.83SS**  trans-69.6165.5163.5-104.6-69.3000111.1
70P44.7Very low31.2Very low116 Ų116126.2 Ų126.275%0.75384%0.835SS**  cis-150.7150.448.340.7-19.2000121
71A28.1Very low30.8Very low98 Ų98120.6 Ų120.681%0.8182%0.822SS**  trans35.1130.8130.900000122.9
72G28.6Very low30.5Very low84 Ų84118.7 Ų118.787%0.86682%0.821SS**  trans-155.2125.5155.900000111
73A29.3Very low30.7Very low114 Ų114124.4 Ų124.494%0.94282%0.824SS**  trans-111.6147.8-168.800000114
74G29.1Very low31.1Very low80 Ų80125.4 Ų125.483%0.82582%0.815SS**  trans-162.1131.6174.700000113.4
75R28.4Very low31.2Very low252 Ų252129.2 Ų129.295%0.95182%0.815SS**  trans-80.5150.3173.7-69.4169.2161.8-150-2.6109.5
76G28.1Very low31.3Very low72 Ų72132.3 Ų132.374%0.74282%0.816SS**  81.9133.274.900000110
77V29.3Very low31.2Very low143 Ų143134.6 Ų134.687%0.86782%0.815SS**  cis-149.9170.245.3170.70000112.6
78R27.9Very low31.1Very low230 Ų230138.1 Ų138.187%0.86882%0.815SS**  trans-56.6169.2172.9-52.4170-173.2-154.9-0.5113.2
79G28.7Very low31Very low61 Ų61139.6 Ų139.663%0.62981%0.81SS**  cis-175.4-173.51.700000114.1
80E31.1Very low31Very low193 Ų193144.1 Ų144.190%0.90282%0.816SS**  trans62.7146.9140.6-63.4173.79700121.5
81G31.6Very low30.2Very low60 Ų60142.6 Ų142.662%0.61981%0.814SS**  cis-178.435.74.200000121.9
82K34.8Very low30.5Very low204 Ų204146.2 Ų146.289%0.88782%0.818SS**  trans74165.5172.6-43.7155.2-172.9171.80112.5
83K37.1Very low30.4Very low196 Ų196148 Ų14885%0.85282%0.816SS**  cis-150.2179.231.2-83.2-172.8-178.8174.90112.3
84P37.6Very low30.4Very low108 Ų108145.9 Ų145.970%0.70181%0.806SS**  trans-120.5169.4-161.643.4-33.4000118.1
85L33Very low30.3Very low163 Ų163149 Ų14985%0.85380%0.803SS**  trans53.7129.9147.7-69.8169.7000122.4
86V27.8Very low30.4Very low148 Ų148147.1 Ų147.190%0.89780%0.796SS**  trans-138.6146.9143.9178.40000109.4
87L29.4Very low31.3Very low138 Ų138148.5 Ų148.572%0.72379%0.792SS**  trans-103.2150.1-177.1178.285000111.3
88K28.8Very low31.2Very low201 Ų201151.2 Ų151.287%0.87479%0.793SS**  trans-156.9129.7145.6-155.3157.6-172.5171.30115.5
89D27.8Very low31.1Very low125 Ų125143.5 Ų143.567%0.66879%0.785SS**  trans-86.7154.9174.8-46.4-101.4000113.7
90R29.4Very low31.1Very low240 Ų240145.3 Ų145.391%0.90679%0.787SS**  trans-158.3116.3151.5-169.583.9167.4167-0.7109.5
91A29.1Very low31.3Very low85 Ų85143.6 Ų143.670%0.70278%0.784SS**  trans-92.7164.6170.300000111.4
92L33.3Very low31.3Very low173 Ų173145.6 Ų145.691%0.90679%0.788SS**  -168.8167.7126.4-101.2169.9000110.7
93C27.6Very low31.1Very low122 Ų122143.2 Ų143.282%0.82479%0.785SS**  trans-128.3163.5-172.9-165.90000110.9
94G28.4Very low30.7Very low70 Ų70136.9 Ų136.972%0.72278%0.775SS**  trans-172.5145.4178.100000111.4
95D27.9Very low30.8Very low145 Ų145138 Ų13878%0.77578%0.783SS**  trans-148.7140.5-152.6-141.3-17.3000114.6
96R30Very low31Very low213 Ų213138.2 Ų138.280%0.80478%0.783SS**  trans69.9-172160.6-42-171.563.8-150.6-3118.5
97P47.2Very low31.3Very low100 Ų100136.6 Ų136.665%0.64978%0.776SS**  -143.9177.2-92.446.7-28.7000118.6
98F25.9Very low31.4Very low201 Ų201134.8 Ų134.888%0.88278%0.781SS**  trans64.9140.1145.4-156.1-91000121.8
99G27.5Very low31.5Very low68 Ų68131.7 Ų131.770%0.70178%0.778SS**  trans177.8152.3170.400000113.4
100S28.8Very low31.9Very low98 Ų98131.9 Ų131.969%0.68579%0.786SS**  trans-163.4167.1-176.8-169.30000112.9
101L34Very low32Very low158 Ų158129.5 Ų129.583%0.82779%0.785SS**  trans70.8153.7174.9-41.1176.2000114.6
102S32.5Very low32.6Very low101 Ų101130.3 Ų130.371%0.70679%0.792SS**  cis-149-166.6-3.6-47.60000108.9
103D30.6Very low32.7Very low155 Ų155126.8 Ų126.883%0.82979%0.788SS**  cis-162.9161.1-8.8-136.8-49.8000112.3
104G28.1Very low33.8Very low63 Ų63125.8 Ų125.865%0.64979%0.788SS**  trans54.3174.8155.300000123
105P39.2Very low34.4Very low132 Ų132128.5 Ų128.586%0.85779%0.791SS**  cis-126.5-180-13.641.4-26.4000114.8
106I37.3Very low35.3Very low166 Ų166125 Ų12585%0.85178%0.776SS**  trans-118.5153.3-176.1-59.6160.4000111.2
107P35.4Very low36.6Very low115 Ų115124.2 Ų124.275%0.74778%0.782SS**  trans-126.8127.1154.335.7-22.6000115.7
108A30.7Very low37.7Very low100 Ų100122.1 Ų122.183%0.82677%0.77SS**  trans57.1141.9147.700000123
109V31.5Very low39.2Very low135 Ų135121.7 Ų121.782%0.81876%0.763SS**  trans-121.5163.8169.4-66.80000110.6
110P35.6Very low41Very low129 Ų129122 Ų12284%0.83875%0.751SS**  trans-118.5179.1138.236.5-30.7000112.4
111E30.9Very low42.1Very low191 Ų191121.9 Ų121.989%0.89374%0.74SS**  trans-90.2158.7-153.1-71.9170.882.200118.4
112A42.1Very low43.4Very low101 Ų101117 Ų11784%0.83572%0.722SS**  trans59.589.6143.300000120.1
113A35.1Very low45Very low100 Ų100116.6 Ų116.683%0.82671%0.711SS**  trans-124.4145.914000000108.9
114A50.8Low46.5Very low101 Ų101117.5 Ų117.584%0.83570%0.703SS**PPolyproline II helixtrans-70.7141.9-176.200000112.1
115T41.6Very low48Very low126 Ų126119.9 Ų119.977%0.77371%0.705SS**PPolyproline II helixtrans-74124.6175.139.30000110.9
116P47.5Very low48.7Very low73 Ų73116.9 Ų116.947%0.47470%0.698SS.*PPolyproline II helixtrans-65.3136.617426.8-33000109.8S118 E121 A122P116-S118 PolarHBondContact O-N 2.85Å; P116-E121 HydrophobicContact CB-CB 4.28Å; P116-E121 HydrophobicContact CB-CG 4.27Å; P116-A122 HydrophobicContact CG-CB 4.04Å
117Q56.7Low49.3Very low196 Ų196115.7 Ų115.792%0.91669%0.693SS**SBendtrans-82.51.4-172.2-65.4-173.5-5.300113.1
118S70.9Confident49.8Very low56 Ų56118.1 Ų118.139%0.39270%0.699SS.*  trans-143.5138.6179.21800000112.7P116 V120 E121 A122P116-S118 PolarHBondContact O-N 2.85Å; S118-V120 PolarHBondContact O-N 3.02Å; S118-V120 PolarHBondContact OG-N 2.84Å; S118-E121 WeakPolarHBondContact O-CB 3.28Å; S118-E121 PolarHBondContact O-N 3.25Å; S118-A122 PolarHBondContact O-N 2.93Å
119Y56Low50.2Low191 Ų191116.5 Ų116.575%0.74969%0.693SS**Hα-helixtrans-54.7-32171177.1-104.8000112.9E121 I123Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-I123 HydrophobicContact CD1-CD1 4.11Å; Y119-I123 HydrophobicContact CE1-CD1 3.71Å; Y119-I123 WeakPolarHBondContact O-CG1 3.37Å
120V66.1Low50.9Low74 Ų74116.6 Ų116.645%0.44870%0.699SS.*Hα-helixtrans-72.2-28.4179.4-178.90000112.2S118S118-V120 PolarHBondContact O-N 3.02Å; S118-V120 PolarHBondContact OG-N 2.84Å
121E52.3Low50.8Low96 Ų96114.9 Ų114.945%0.44970%0.696SS.*Hα-helixtrans-75.8-45.6-177.1-169164.3-134.800110.7P116 S118 Y119 I123 R124 T125P116-E121 HydrophobicContact CB-CB 4.28Å; P116-E121 HydrophobicContact CB-CG 4.27Å; S118-E121 WeakPolarHBondContact O-CB 3.28Å; S118-E121 PolarHBondContact O-N 3.25Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.96Å; E121-I123 VanDerWaalsContact O-N 3.17Å; E121-R124 PolarHBondContact O-N 3.03Å; E121-T125 PolarHBondContact O-N 3.27Å; E121-T125 PolarHBondContact O-OG1 3.35Å
122A60.1Low51.4Low55 Ų55111.6 Ų111.646%0.45569%0.691SS.*Hα-helixtrans-56.9-30.5176.200000114.1P116 S118P116-A122 HydrophobicContact CG-CB 4.04Å; S118-A122 PolarHBondContact O-N 2.93Å
123I66.2Low51.3Low93 Ų93115.4 Ų115.448%0.47769%0.692SS.*Hα-helixtrans-73.5-34.4178.4-66.1168.9000111.6Y119 E121Y119-I123 HydrophobicContact CD1-CD1 4.11Å; Y119-I123 HydrophobicContact CE1-CD1 3.71Å; Y119-I123 WeakPolarHBondContact O-CG1 3.37Å; E121-I123 PolarHBondContact O-N 2.96Å; E121-I123 VanDerWaalsContact O-N 3.17Å
124R61.9Low51.4Low174 Ų174116.7 Ų116.766%0.65769%0.692SS**Hα-helixtrans-73-43.6-177.9-66.8174.9-175.4163.50.6111.9E121 G126 L127E121-R124 PolarHBondContact O-N 3.03Å; R124-G126 PolarHBondContact O-N 3.36Å; R124-L127 PolarHBondContact O-N 3.16Å
125T60.5Low50.5Low114 Ų114119 Ų11970%0.69969%0.685SS**THydrogen-bonded Turntrans-66.1-10.3-176.8-32.80000113.6E121E121-T125 PolarHBondContact O-N 3.27Å; E121-T125 PolarHBondContact O-OG1 3.35Å
126G53.4Low50.6Low68 Ų68118.6 Ų118.670%0.70169%0.685SS**THydrogen-bonded Turntrans-87.10.5176.200000115.9R124R124-G126 PolarHBondContact O-N 3.36Å
127L50.6Low50.1Low142 Ų142122.7 Ų122.774%0.74370%0.697SS**SBendtrans-114.4-5.3-171.7-80.5167.2000116R124 G129R124-L127 PolarHBondContact O-N 3.16Å; L127-G129 PolarHBondContact O-N 3.13Å
128D44.7Very low49.6Very low165 Ų165118.5 Ų118.588%0.88270%0.696SS**  trans-92.870.6176.2-70.9-53.4000111.8
129G38.9Very low48Very low67 Ų67122 Ų12269%0.69172%0.715SS**  trans-143.3114177.300000112.3L127L127-G129 PolarHBondContact O-N 3.13Å
130S46.4Very low47.1Very low136 Ų136117.2 Ų117.295%0.95172%0.724SS**  trans-70127.7-163.5-47.60000115.9
131A34.5Very low45.7Very low93 Ų93116.2 Ų116.277%0.76973%0.728SS**  trans-151.5163159.900000109.3
132P43Very low45.5Very low122 Ų122115.6 Ų115.679%0.79274%0.739SS**  trans-95173.1-154.436.7-37.1000116.9
133E40.5Very low45.3Very low181 Ų181120.8 Ų120.885%0.84675%0.748SS**  trans-20.5123.4169.8-58.3-74.193.300116.5E135E133-E135 PolarHBondContact O-N 3.27Å
134P35.8Very low45.3Very low128 Ų128122.8 Ų122.883%0.83176%0.756SS**  trans-91.495.517834.4-32.9000113.6
135E32.4Very low46Very low150 Ų150115.6 Ų115.670%0.70173%0.73SS**  trans-66136.9160.9-88.9-74.4128.200110.8E133 H137E133-E135 PolarHBondContact O-N 3.27Å; E135-H137 PolarHBondContact O-N 2.95Å; E135-H137 PolarHBondContact O-ND1 3.06Å
136P44.9Very low46.9Very low117 Ų117110.2 Ų110.276%0.7670%0.697SS**  trans-75.784.6-161.330.9-37.4000114.2
137H35.2Very low48Very low159 Ų159110.9 Ų110.974%0.73669%0.689SS**  trans-93.6113.6177-74.973.8000112.4E135 V139E135-H137 PolarHBondContact O-N 2.95Å; E135-H137 PolarHBondContact O-ND1 3.06Å; H137-V139 PolarHBondContact O-N 3.15Å
138A46.4Very low49.4Very low107 Ų107111 Ų11188%0.88468%0.681SS**  trans-69.6117.1177.700000111.9
139V37.1Very low51Low130 Ų130103.2 Ų103.279%0.78864%0.639SS**  trans-126.8132.6167.5-178.30000108.3H137 G141H137-V139 PolarHBondContact O-N 3.15Å; V139-G141 PolarHBondContact O-N 2.9Å
140G38.4Very low52.8Low91 Ų91101.3 Ų101.394%0.93862%0.617SS**  trans-73.176.4-167.500000115.4
141G35.8Very low54.3Low52 Ų5298.7 Ų98.754%0.53660%0.603SS.*  trans-97.5138.5156.600000110.3V139 Y143V139-G141 PolarHBondContact O-N 2.9Å; G141-Y143 PolarHBondContact O-N 3.31Å
142A48.6Very low56.2Low83 Ų8396.3 Ų96.369%0.68659%0.587SS**  trans-67.7118.5176.400000110.4Q144A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 3.41Å
143Y55.6Low57.9Low165 Ų16596.1 Ų96.165%0.64758%0.576SS**  trans-68.987.5173.6-77.3-90.6000109.8G141 L145 L163G141-Y143 PolarHBondContact O-N 3.31Å; Y143-L145 PolarHBondContact O-N 3.38Å; Y143-L163 HydrophobicContact CD1-CD1 4.21Å; Y143-L163 HydrophobicContact CG-CD1 4.47Å
144Q67.2Low59.9Low135 Ų13588.1 Ų88.163%0.63154%0.54SS*.  trans-65.3125.6178.3-63.2-63.5-12.200110.1A142A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 3.41Å
145L75.6Confident61.9Low22 Ų2290.3 Ų90.312%0.11554%0.537CS..BIsolated β-bridgetrans-58.7139.2174.4-69178.1000110.5Y143 P147 L163 V175Y143-L145 PolarHBondContact O-N 3.38Å; L145-P147 WeakPolarHBondContact O-CD 3.19Å; L145-P147 VanDerWaalsContact O-N 3.14Å; L145-L163 CarbonylContact C-O 3.41Å; L145-L163 WeakPolarHBondContact CA-O 3.27Å; L145-L163 HydrophobicContact CD2-CD2 3.57Å; L145-V175 WeakPolarHBondContact CD1-O 3.11Å
146C80.3Confident63.9Low1 Ų190.7 Ų90.71%0.00753%0.532CS..  trans-56.2114.9176.4176.90000110.9Y148 A149 A150 L163 H164C146-Y148 PolarHBondContact O-N 2.88Å; C146-Y148 VanDerWaalsContact O-N 3.14Å; C146-A149 HydrophobicContact CB-CB 3.78Å; C146-A149 PolarHBondContact O-N 3.15Å; C146-A149 VanDerWaalsContact O-N 3.13Å; C146-A150 WeakPolarHBondContact O-CB 3.48Å; C146-A150 PolarHBondContact O-N 3.21Å; C146-L163 PolarHBondContact N-O 3.44Å; C146-H164 VanDerWaalsContact CB-CD2 3.46Å; C146-H164 WeakPolarHBondContact CB-CD2 3.45Å
147P76.6Confident65.3Low82 Ų8286.5 Ų86.553%0.53251%0.511SS..Hα-helixtrans-61.2-29.3-175.6-26.636.5000113.5L145 A151L145-P147 WeakPolarHBondContact O-CD 3.19Å; L145-P147 VanDerWaalsContact O-N 3.14Å; P147-A151 VanDerWaalsContact O-CB 3.32Å; P147-A151 WeakPolarHBondContact O-CB 3.24Å; P147-A151 PolarHBondContact O-N 3.27Å
148Y78.5Confident66.9Low146 Ų14687 Ų8757%0.57352%0.519SS*.Hα-helixtrans-77-37.3178.6-56.8-77.1000112.4C146 A151 G152 H153C146-Y148 PolarHBondContact O-N 2.88Å; C146-Y148 VanDerWaalsContact O-N 3.14Å; Y148-A151 PolarHBondContact O-N 3.31Å; Y148-G152 PolarHBondContact O-N 3.06Å; Y148-H153 CarbonylContact C-O 3.58Å; Y148-H153 CarbonylContact O-C 3.59Å; Y148-H153 VanDerWaalsContact O-C 3.23Å; Y148-H153 PolarHBondContact O-N 2.85Å; Y148-H153 VanDerWaalsContact O-N 3.09Å; Y148-H153 VanDerWaalsContact O-O 3.07Å
149A78.1Confident68.4Low1 Ų187 Ų871%0.00851%0.512CS..Hα-helixtrans-67.1-43.5171.700000111.3C146 A151 G152 C154 Q174C146-A149 HydrophobicContact CB-CB 3.78Å; C146-A149 PolarHBondContact O-N 3.15Å; C146-A149 VanDerWaalsContact O-N 3.13Å; A149-A151 PolarHBondContact O-N 3.47Å; A149-G152 WeakPolarHBondContact O-CA 3.35Å; A149-G152 PolarHBondContact O-N 3.27Å; A149-C154 HydrophobicContact CB-CB 4.11Å; A149-Q174 HydrophobicContact CB-CB 4.14Å
150A77.9Confident70.4Confident27 Ų2781.9 Ų81.922%0.22348%0.482CS..Hα-helixtrans-59.7-33.2173.800000112.7C146 G152 V175C146-A150 WeakPolarHBondContact O-CB 3.48Å; C146-A150 PolarHBondContact O-N 3.21Å; A150-G152 VanDerWaalsContact C-N 3.27Å; A150-G152 PolarHBondContact O-N 3.43Å; A150-V175 HydrophobicContact CB-CG1 3.85Å; A150-V175 WeakPolarHBondContact O-CG1 3.36Å
151A77.6Confident72.3Confident81 Ų8183.2 Ų83.267%0.66947%0.474SS*.THydrogen-bonded Turntrans-78.7-3.4172.800000114.5P147 Y148 A149P147-A151 VanDerWaalsContact O-CB 3.32Å; P147-A151 WeakPolarHBondContact O-CB 3.24Å; P147-A151 PolarHBondContact O-N 3.27Å; Y148-A151 PolarHBondContact O-N 3.31Å; A149-A151 PolarHBondContact O-N 3.47Å
152G73.9Confident74.3Confident42 Ų4287 Ų8743%0.43347%0.474SS..THydrogen-bonded Turntrans111.1-13.8171.100000116.3Y148 A149 A150Y148-G152 PolarHBondContact O-N 3.06Å; A149-G152 WeakPolarHBondContact O-CA 3.35Å; A149-G152 PolarHBondContact O-N 3.27Å; A150-G152 VanDerWaalsContact C-N 3.27Å; A150-G152 PolarHBondContact O-N 3.43Å
153H79.9Confident75.7Confident119 Ų11985.1 Ų85.155%0.55145%0.451SS*.  trans-156.1120.9173.6-17368.9000113Y148 F155Y148-H153 CarbonylContact C-O 3.58Å; Y148-H153 CarbonylContact O-C 3.59Å; Y148-H153 VanDerWaalsContact O-C 3.23Å; Y148-H153 PolarHBondContact O-N 2.85Å; Y148-H153 VanDerWaalsContact O-N 3.09Å; Y148-H153 VanDerWaalsContact O-O 3.07Å; H153-F155 AromaticContact CD2-CD1 3.68Å; H153-F155 AromaticContact CD2-CE1 3.64Å; H153-F155 AromaticContact NE2-CD1 3.57Å; H153-F155 AromaticContact NE2-CE1 3.85Å
154C82.9Confident76.8Confident12 Ų1279.4 Ų79.48%0.08143%0.431CS..  trans-103.6114.6170.9-175.90000110.6A149 Y156 G157 C160 H164A149-C154 HydrophobicContact CB-CB 4.11Å; C154-Y156 PolarHBondContact O-N 3.2Å; C154-Y156 VanDerWaalsContact O-N 3.1Å; C154-G157 PolarHBondContact O-N 3.15Å; C154-G157 VanDerWaalsContact O-N 3.12Å; C154-C160 VanDerWaalsContact SG-SG 3.62Å; C154-H164 WeakPolarHBondContact CB-NE2 3.49Å; C154-H164 PolarHBondContact SG-NE2 2.91Å
155F76.3Confident77.6Confident175 Ų17573.4 Ų73.477%0.76841%0.405SS*.THydrogen-bonded Turntrans-61.9-16.5178.9-62.7-75.8000114.6H153H153-F155 AromaticContact CD2-CD1 3.68Å; H153-F155 AromaticContact CD2-CE1 3.64Å; H153-F155 AromaticContact NE2-CD1 3.57Å; H153-F155 AromaticContact NE2-CE1 3.85Å
156Y75.6Confident78Confident157 Ų15775.4 Ų75.462%0.61642%0.415SS*.THydrogen-bonded Turntrans-88.1-9.9179.2-59.2-77.5000113.4C154 D158 S159C154-Y156 PolarHBondContact O-N 3.2Å; C154-Y156 VanDerWaalsContact O-N 3.1Å; Y156-D158 PolarHBondContact O-N 3.1Å; Y156-S159 WeakPolarHBondContact O-CA 3.29Å; Y156-S159 WeakPolarHBondContact O-CB 3.46Å; Y156-S159 PolarHBondContact O-N 3.29Å
157G73.9Confident78.4Confident30 Ų3080.5 Ų80.531%0.30944%0.442SS..G310 helixtrans50-137.7-177.300000112.2C154 S159 C160 H164C154-G157 PolarHBondContact O-N 3.15Å; C154-G157 VanDerWaalsContact O-N 3.12Å; G157-S159 PolarHBondContact O-N 2.82Å; G157-S159 VanDerWaalsContact O-N 3.13Å; G157-C160 WeakPolarHBondContact O-CB 3.21Å; G157-C160 PolarHBondContact O-N 3.43Å; G157-C160 VanDerWaalsContact O-N 3.16Å; G157-H164 PolarHBondContact O-CE1 3.03Å
158D68.8Low79Confident170 Ų17076.8 Ų76.891%0.90942%0.418SS*.G310 helixtrans-71.9-1.5179.7-45.8-55.9000113.7Y156 C160Y156-D158 PolarHBondContact O-N 3.1Å; D158-C160 VanDerWaalsContact C-N 3.34Å
159S77.6Confident79.5Confident106 Ų10678.5 Ų78.574%0.74143%0.431SS*.G310 helixtrans-92.311.9170.5-54.20000113Y156 G157Y156-S159 WeakPolarHBondContact O-CA 3.29Å; Y156-S159 WeakPolarHBondContact O-CB 3.46Å; Y156-S159 PolarHBondContact O-N 3.29Å; G157-S159 PolarHBondContact O-N 2.82Å; G157-S159 VanDerWaalsContact O-N 3.13Å
160C80.1Confident80Confident23 Ų2380.7 Ų80.716%0.15545%0.445CS..  trans-76.5131.9176.6-161.20000111.6C154 G157 D158 Y162 H164C154-C160 VanDerWaalsContact SG-SG 3.62Å; G157-C160 WeakPolarHBondContact O-CB 3.21Å; G157-C160 PolarHBondContact O-N 3.43Å; G157-C160 VanDerWaalsContact O-N 3.16Å; D158-C160 VanDerWaalsContact C-N 3.34Å; C160-Y162 PolarHBondContact O-N 2.82Å; C160-H164 VanDerWaalsContact CB-NE2 3.29Å; C160-H164 WeakPolarHBondContact CB-NE2 3.32Å
161P78.1Confident80.5Confident119 Ų11981.7 Ų81.777%0.77345%0.449SS*.SBendtrans-75.4-0.8175.631.9-37.1000113.9
162Y77.8Confident80.9Confident132 Ų13287.4 Ų87.452%0.51845%0.453SS..SBendtrans-109.4141.4176.6-65-79.9000110.3C160 H164C160-Y162 PolarHBondContact O-N 2.82Å; Y162-H164 PolarHBondContact O-CD2 2.85Å; Y162-H164 PolarHBondContact O-N 3.11Å
163L76.6Confident81.5Confident42 Ų4288.3 Ų88.322%0.2245%0.448CS..BIsolated β-bridgetrans-63.9123.8-175.8-170.5147.2000110.9Y143 L145 C146 P178Y143-L163 HydrophobicContact CD1-CD1 4.21Å; Y143-L163 HydrophobicContact CG-CD1 4.47Å; L145-L163 CarbonylContact C-O 3.41Å; L145-L163 WeakPolarHBondContact CA-O 3.27Å; L145-L163 HydrophobicContact CD2-CD2 3.57Å; C146-L163 PolarHBondContact N-O 3.44Å; L163-P178 HydrophobicContact CD2-CG 3.95Å
164H79.8Confident81.8Confident46 Ų4685.6 Ų85.621%0.21344%0.435CS..PPolyproline II helixtrans-79.6131.7171.7-74.6-171000109.7C146 C154 G157 C160 Y162C146-H164 VanDerWaalsContact CB-CD2 3.46Å; C146-H164 WeakPolarHBondContact CB-CD2 3.45Å; C154-H164 WeakPolarHBondContact CB-NE2 3.49Å; C154-H164 PolarHBondContact SG-NE2 2.91Å; G157-H164 PolarHBondContact O-CE1 3.03Å; C160-H164 VanDerWaalsContact CB-NE2 3.29Å; C160-H164 WeakPolarHBondContact CB-NE2 3.32Å; Y162-H164 PolarHBondContact O-CD2 2.85Å; Y162-H164 PolarHBondContact O-N 3.11Å
165G83.3Confident81.8Confident8 Ų886 Ų868%0.08244%0.438CS..PPolyproline II helixtrans-81.4160.4-17700000113.6Q174 L176G165-Q174 VanDerWaalsContact O-CB 3.29Å; G165-Q174 WeakPolarHBondContact O-CB 3.43Å; G165-L176 CarbonylContact C-O 3.39Å; G165-L176 WeakPolarHBondContact CA-O 3.48Å
166D85.4Confident82.3Confident64 Ų6478 Ų7834%0.34240%0.403SS..EExtended strand (participates in β ladder)trans-65151.2167.5-68.4-21.5000110V175 L176 R184D166-V175 PolarHBondContact O-N 3.22Å; D166-L176 HydrophobicContact CB-CB 3.96Å; D166-L176 PolarHBondContact N-O 2.63Å; D166-L176 WeakPolarHBondContact O-CB 3.36Å; D166-L176 PolarHBondContact O-N 3.38Å; D166-L176 VanDerWaalsContact O-N 3.13Å; D166-R184 IonicContact OD2-CZ 3.24Å; D166-R184 VanDerWaalsContact OD2-CZ 3.31Å; D166-R184 IonicContact OD2-NH1 3.93Å; D166-R184 PolarHBondContact OD2-NH1 2.97Å; D166-R184 VanDerWaalsContact OD2-NH1 3.08Å; D166-R184 IonicContact OD2-NH2 3.97Å; D166-R184 PolarHBondContact OD2-NH2 3.17Å
167L88.3Confident82.7Confident109 Ų10971.3 Ų71.357%0.57138%0.377SS*.EExtended strand (participates in β ladder)trans-72.8126177.5-67.4170.1000111.1R172 L173 Q174L167-R172 WeakPolarHBondContact CD2-O 3.4Å; L167-L173 WeakPolarHBondContact CA-O 3.41Å; L167-Q174 HydrophobicContact CD2-CG 3.57Å; L167-Q174 HydrophobicContact CG-CG 4.36Å
168C89.4Confident83.1Confident3 Ų372 Ų722%0.0238%0.376CS..PPolyproline II helixtrans-75130.4166.3177.60000110.3V170 R172 L173 V175 L176C168-V170 PolarHBondContact O-N 3.09Å; C168-R172 WeakPolarHBondContact O-CA 3.5Å; C168-R172 PolarHBondContact O-N 3.39Å; C168-L173 PolarHBondContact N-O 2.76Å; C168-V175 HydrophobicContact CB-CG2 4.02Å; C168-L176 HydrophobicContact CB-CD1 4.16Å; C168-L176 HydrophobicContact CB-CD2 4.12Å; C168-L176 HydrophobicContact CB-CG 3.93Å
169E87.9Confident83.8Confident182 Ų18271.1 Ų71.185%0.8537%0.366SS*.THydrogen-bonded Turntrans-60.1-32.7-178-59.2-172156.900113.5
170V88.4Confident84.2Confident48 Ų4868.6 Ų68.629%0.29135%0.345SS..THydrogen-bonded Turntrans-80.5-58-173.9-177.10000111.6C168 L192 F195C168-V170 PolarHBondContact O-N 3.09Å; V170-L192 HydrophobicContact CG2-CD2 3.78Å; V170-L192 HydrophobicContact CG2-CG 4.26Å; V170-F195 HydrophobicContact CG1-CB 3.56Å; V170-F195 HydrophobicContact CG1-CD1 4.45Å; V170-F195 HydrophobicContact CG1-CD2 3.88Å; V170-F195 HydrophobicContact CG1-CG 3.71Å
171C88.6Confident84.5Confident47 Ų4771.4 Ų71.432%0.31836%0.362SS..THydrogen-bonded Turntrans-89.2-14.5-179.765.40000114.8L173 C191C171-L173 HydrophobicContact CB-CD1 4.39Å; C171-L173 HydrophobicContact CB-CG 4.32Å; C171-L173 PolarHBondContact O-N 3.35Å; C171-C191 VanDerWaalsContact CB-SG 3.59Å
172R87.4Confident85.1Confident201 Ų20171.9 Ų71.976%0.75835%0.354SS*.  trans59.422.5-178.3-54.9-177.4-179.9-179-0.9115.2L167 C168L167-R172 WeakPolarHBondContact CD2-O 3.4Å; C168-R172 WeakPolarHBondContact O-CA 3.5Å; C168-R172 PolarHBondContact O-N 3.39Å
173L85.7Confident85.6Confident61 Ų6169.4 Ų69.432%0.31935%0.347SS..SBendtrans-95.1156173.8-56.8175000111.1L167 C168 C171 V175L167-L173 WeakPolarHBondContact CA-O 3.41Å; C168-L173 PolarHBondContact N-O 2.76Å; C171-L173 HydrophobicContact CB-CD1 4.39Å; C171-L173 HydrophobicContact CB-CG 4.32Å; C171-L173 PolarHBondContact O-N 3.35Å; L173-V175 VanDerWaalsContact C-N 3.25Å; L173-V175 HydrophobicContact CB-CB 4.49Å; L173-V175 HydrophobicContact CB-CG1 3.73Å; L173-V175 HydrophobicContact CB-CG2 4.03Å; L173-V175 PolarHBondContact O-N 2.05Å
174Q85.3Confident86.2Confident62 Ų6270.4 Ų70.429%0.2935%0.348SS..EExtended strand (participates in β ladder)trans-83.665.9178-67.3179.517.200110.7A149 G165 L167A149-Q174 HydrophobicContact CB-CB 4.14Å; G165-Q174 VanDerWaalsContact O-CB 3.29Å; G165-Q174 WeakPolarHBondContact O-CB 3.43Å; L167-Q174 HydrophobicContact CD2-CG 3.57Å; L167-Q174 HydrophobicContact CG-CG 4.36Å
175V84.8Confident86.7Confident21 Ų2174.7 Ų74.713%0.12736%0.363CS..EExtended strand (participates in β ladder)trans-121.2-6.5-167.1-68.40000114.3L145 A150 D166 C168 L173 H187L145-V175 WeakPolarHBondContact CD1-O 3.11Å; A150-V175 HydrophobicContact CB-CG1 3.85Å; A150-V175 WeakPolarHBondContact O-CG1 3.36Å; D166-V175 PolarHBondContact O-N 3.22Å; C168-V175 HydrophobicContact CB-CG2 4.02Å; L173-V175 VanDerWaalsContact C-N 3.25Å; L173-V175 HydrophobicContact CB-CB 4.49Å; L173-V175 HydrophobicContact CB-CG1 3.73Å; L173-V175 HydrophobicContact CB-CG2 4.03Å; L173-V175 PolarHBondContact O-N 2.05Å; V175-H187 WeakPolarHBondContact CG2-CE1 3.49Å; V175-H187 VanDerWaalsContact CG2-NE2 3.33Å; V175-H187 WeakPolarHBondContact CG2-NE2 3.28Å
176L85.7Confident87.1Confident7 Ų777 Ų774%0.03738%0.381CS..EExtended strand (participates in β ladder)trans-86.9139.2172-56.4-175.8000109.4G165 D166 C168 R184 H187 E188G165-L176 CarbonylContact C-O 3.39Å; G165-L176 WeakPolarHBondContact CA-O 3.48Å; D166-L176 HydrophobicContact CB-CB 3.96Å; D166-L176 PolarHBondContact N-O 2.63Å; D166-L176 WeakPolarHBondContact O-CB 3.36Å; D166-L176 PolarHBondContact O-N 3.38Å; D166-L176 VanDerWaalsContact O-N 3.13Å; C168-L176 HydrophobicContact CB-CD1 4.16Å; C168-L176 HydrophobicContact CB-CD2 4.12Å; C168-L176 HydrophobicContact CB-CG 3.93Å; L176-R184 HydrophobicContact CB-CG 4.43Å; L176-R184 HydrophobicContact CD1-CG 4.23Å; L176-R184 HydrophobicContact CD2-CG 4.22Å; L176-H187 HydrophobicContact CD2-CB 3.82Å; L176-H187 VanDerWaalsContact CD2-CD2 3.5Å; L176-H187 WeakPolarHBondContact CD2-CD2 3.47Å; L176-E188 HydrophobicContact CD2-CG 4.07Å
177H84.6Confident87.4Confident17 Ų1776.3 Ų76.38%0.07938%0.376CS..  trans-86.8127.3177.8-171-107.6000111.1H179 D180 Q183 R184H177-H179 VanDerWaalsContact C-N 3.26Å; H177-H179 PolarHBondContact ND1-N 3.11Å; H177-H179 PolarHBondContact O-N 3.47Å; H177-D180 HydrophobicContact CB-CB 4.03Å; H177-D180 WeakPolarHBondContact ND1-CB 3.16Å; H177-D180 PolarHBondContact ND1-N 3.2Å; H177-Q183 HydrophobicContact CB-CB 4.49Å; H177-Q183 VanDerWaalsContact CB-OE1 3.28Å; H177-R184 PolarHBondContact O-NH2 2.91Å
178P82.8Confident87.6Confident45 Ų4574.3 Ų74.329%0.29236%0.363SS..THydrogen-bonded Turntrans-59.1-34.7-178.1-28.137.5000113.7L163 R184L163-P178 HydrophobicContact CD2-CG 3.95Å; P178-R184 PolarHBondContact O-NH2 2.76Å
179H82.1Confident87.8Confident150 Ų15081 Ų8169%0.69439%0.392SS*.THydrogen-bonded Turntrans-108.21.3-172.3-55102.3000114.6H177H177-H179 VanDerWaalsContact C-N 3.26Å; H177-H179 PolarHBondContact ND1-N 3.11Å; H177-H179 PolarHBondContact O-N 3.47Å
180D85.8Confident88.1Confident54 Ų5477 Ų7729%0.28938%0.38SS..  trans-122.7103.8180-176.3-10.4000110.9H177 E182 Q183 R184H177-D180 HydrophobicContact CB-CB 4.03Å; H177-D180 WeakPolarHBondContact ND1-CB 3.16Å; H177-D180 PolarHBondContact ND1-N 3.2Å; D180-E182 VanDerWaalsContact C-N 3.3Å; D180-E182 PolarHBondContact O-N 2.92Å; D180-E182 WeakPolarHBondContact OD1-CA 3.47Å; D180-E182 VanDerWaalsContact OD1-CB 3.27Å; D180-E182 WeakPolarHBondContact OD1-CB 3.42Å; D180-E182 PolarHBondContact OD1-N 3.2Å; D180-Q183 HydrophobicContact CB-CB 4.09Å; D180-Q183 PolarHBondContact OD1-N 2.85Å; D180-Q183 WeakPolarHBondContact OD2-CB 3.27Å; D180-R184 WeakPolarHBondContact O-CB 3.31Å; D180-R184 PolarHBondContact O-N 3.13Å
181P87.7Confident88.4Confident81 Ų8175.4 Ų75.453%0.52637%0.37SS..Hα-helixtrans-76.6-12.8177.533.1-35.4000113.2R185P181-R185 WeakPolarHBondContact O-CB 3.03Å; P181-R185 WeakPolarHBondContact O-CG 3.26Å; P181-R185 PolarHBondContact O-N 2.87Å; P181-R185 PolarHBondContact O-NE 3.06Å; P181-R185 PolarHBondContact O-NH2 3.45Å
182E90.1Very high88.6Confident130 Ų13077 Ų7761%0.60738%0.375SS*.Hα-helixtrans-79.8-51.9174.6-51.6-116.3105.200110D180 R184 R185 A186D180-E182 VanDerWaalsContact C-N 3.3Å; D180-E182 PolarHBondContact O-N 2.92Å; D180-E182 WeakPolarHBondContact OD1-CA 3.47Å; D180-E182 VanDerWaalsContact OD1-CB 3.27Å; D180-E182 WeakPolarHBondContact OD1-CB 3.42Å; D180-E182 PolarHBondContact OD1-N 3.2Å; E182-R184 VanDerWaalsContact C-N 3.27Å; E182-R184 PolarHBondContact O-N 3.29Å; E182-R185 PolarHBondContact O-N 3.09Å; E182-R185 IonicContact OE1-CZ 3.99Å; E182-R185 IonicContact OE1-NH2 3.1Å; E182-R185 PolarHBondContact OE1-NH2 3.33Å; E182-A186 VanDerWaalsContact O-CB 3.31Å; E182-A186 WeakPolarHBondContact O-CB 3.3Å; E182-A186 PolarHBondContact O-N 3.42Å
183Q87.8Confident89Confident79 Ų7972 Ų7237%0.36936%0.363SS..Hα-helixtrans-59.1-39.7174.1-174.617813.200111.6H177 D180 A186 H187H177-Q183 HydrophobicContact CB-CB 4.49Å; H177-Q183 VanDerWaalsContact CB-OE1 3.28Å; D180-Q183 HydrophobicContact CB-CB 4.09Å; D180-Q183 PolarHBondContact OD1-N 2.85Å; D180-Q183 WeakPolarHBondContact OD2-CB 3.27Å; Q183-A186 PolarHBondContact O-N 3.39Å; Q183-H187 PolarHBondContact O-N 3.22Å
184R89.8Confident89.4Confident64 Ų6471.3 Ų71.324%0.24237%0.367CS..Hα-helixtrans-56.9-59.3174.5-178.6177.9-51.1-123.7-3.4111.9D166 L176 H177 P178 D180 E182 A186 H187 E188D166-R184 IonicContact OD2-CZ 3.24Å; D166-R184 VanDerWaalsContact OD2-CZ 3.31Å; D166-R184 IonicContact OD2-NH1 3.93Å; D166-R184 PolarHBondContact OD2-NH1 2.97Å; D166-R184 VanDerWaalsContact OD2-NH1 3.08Å; D166-R184 IonicContact OD2-NH2 3.97Å; D166-R184 PolarHBondContact OD2-NH2 3.17Å; L176-R184 HydrophobicContact CB-CG 4.43Å; L176-R184 HydrophobicContact CD1-CG 4.23Å; L176-R184 HydrophobicContact CD2-CG 4.22Å; H177-R184 PolarHBondContact O-NH2 2.91Å; P178-R184 PolarHBondContact O-NH2 2.76Å; D180-R184 WeakPolarHBondContact O-CB 3.31Å; D180-R184 PolarHBondContact O-N 3.13Å; E182-R184 VanDerWaalsContact C-N 3.27Å; E182-R184 PolarHBondContact O-N 3.29Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 3.34Å; R184-H187 PolarHBondContact O-N 2.92Å; R184-H187 VanDerWaalsContact O-N 3.13Å; R184-E188 WeakPolarHBondContact CD-OE1 3.46Å; R184-E188 HydrophobicContact CG-CG 4.42Å; R184-E188 WeakPolarHBondContact CG-OE1 2.93Å; R184-E188 WeakPolarHBondContact O-CG 3.32Å; R184-E188 PolarHBondContact O-N 2.87Å
185R90.4Very high89.8Confident135 Ų13574 Ų7451%0.50938%0.378SS..Hα-helixtrans-59.6-34.9178.6-75176.9-66.9144.75112.8P181 E182 E188 K189P181-R185 WeakPolarHBondContact O-CB 3.03Å; P181-R185 WeakPolarHBondContact O-CG 3.26Å; P181-R185 PolarHBondContact O-N 2.87Å; P181-R185 PolarHBondContact O-NE 3.06Å; P181-R185 PolarHBondContact O-NH2 3.45Å; E182-R185 PolarHBondContact O-N 3.09Å; E182-R185 IonicContact OE1-CZ 3.99Å; E182-R185 IonicContact OE1-NH2 3.1Å; E182-R185 PolarHBondContact OE1-NH2 3.33Å; R185-E188 WeakPolarHBondContact CA-OE2 3.17Å; R185-K189 VanDerWaalsContact O-CB 3.28Å; R185-K189 WeakPolarHBondContact O-CB 3.02Å; R185-K189 PolarHBondContact O-N 3.35Å
186A91.9Very high90.3Very high56 Ų5677.4 Ų77.446%0.46339%0.392SS..Hα-helixtrans-65.9-45.2176.100000111.7E182 Q183 R184 V190E182-A186 VanDerWaalsContact O-CB 3.31Å; E182-A186 WeakPolarHBondContact O-CB 3.3Å; E182-A186 PolarHBondContact O-N 3.42Å; Q183-A186 PolarHBondContact O-N 3.39Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 3.34Å; A186-V190 WeakPolarHBondContact O-CG2 3.12Å; A186-V190 PolarHBondContact O-N 3.43Å
187H91.8Very high90.6Very high51 Ų5178.5 Ų78.524%0.23640%0.402CS..Hα-helixtrans-64.9-51.1174.4-178.885.4000111.7V175 L176 Q183 R184 K189 V190 C191V175-H187 WeakPolarHBondContact CG2-CE1 3.49Å; V175-H187 VanDerWaalsContact CG2-NE2 3.33Å; V175-H187 WeakPolarHBondContact CG2-NE2 3.28Å; L176-H187 HydrophobicContact CD2-CB 3.82Å; L176-H187 VanDerWaalsContact CD2-CD2 3.5Å; L176-H187 WeakPolarHBondContact CD2-CD2 3.47Å; Q183-H187 PolarHBondContact O-N 3.22Å; R184-H187 PolarHBondContact O-N 2.92Å; R184-H187 VanDerWaalsContact O-N 3.13Å; H187-K189 VanDerWaalsContact C-N 3.3Å; H187-K189 PolarHBondContact O-N 3.13Å; H187-V190 PolarHBondContact O-N 3.13Å; H187-V190 VanDerWaalsContact O-N 3.09Å; H187-C191 WeakPolarHBondContact NE2-CB 3.45Å; H187-C191 VanDerWaalsContact O-CB 3.27Å; H187-C191 WeakPolarHBondContact O-CB 3.36Å; H187-C191 PolarHBondContact O-N 3.23Å
188E91.6Very high91Very high67 Ų6782.3 Ų82.331%0.31342%0.423SS..Hα-helixtrans-52.4-48.7-179.5-72.3163.2170.400111.3L176 R184 R185 V190 C191 L192L176-E188 HydrophobicContact CD2-CG 4.07Å; R184-E188 WeakPolarHBondContact CD-OE1 3.46Å; R184-E188 HydrophobicContact CG-CG 4.42Å; R184-E188 WeakPolarHBondContact CG-OE1 2.93Å; R184-E188 WeakPolarHBondContact O-CG 3.32Å; R184-E188 PolarHBondContact O-N 2.87Å; R185-E188 WeakPolarHBondContact CA-OE2 3.17Å; E188-V190 PolarHBondContact O-N 3.04Å; E188-C191 PolarHBondContact O-N 3.15Å; E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.31Å; E188-L192 WeakPolarHBondContact O-CG 3.4Å; E188-L192 PolarHBondContact O-N 2.93Å
189K94Very high91.5Very high144 Ų14484.4 Ų84.463%0.62643%0.43SS*.Hα-helixtrans-61-44.5177.1-177.9176.2179.3178.20112.9R185 H187 L193R185-K189 VanDerWaalsContact O-CB 3.28Å; R185-K189 WeakPolarHBondContact O-CB 3.02Å; R185-K189 PolarHBondContact O-N 3.35Å; H187-K189 VanDerWaalsContact C-N 3.3Å; H187-K189 PolarHBondContact O-N 3.13Å; K189-L193 HydrophobicContact CG-CD1 4.13Å; K189-L193 WeakPolarHBondContact O-CD1 3.48Å; K189-L193 VanDerWaalsContact O-CG 3.27Å; K189-L193 WeakPolarHBondContact O-CG 3.18Å; K189-L193 PolarHBondContact O-N 3.1Å
190V93.6Very high92Very high97 Ų9783.5 Ų83.559%0.58843%0.426SS*.Hα-helixtrans-70.3-36.1179.7170.90000111.3A186 H187 E188 A194A186-V190 WeakPolarHBondContact O-CG2 3.12Å; A186-V190 PolarHBondContact O-N 3.43Å; H187-V190 PolarHBondContact O-N 3.13Å; H187-V190 VanDerWaalsContact O-N 3.09Å; E188-V190 PolarHBondContact O-N 3.04Å; V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 2.86Å
191C94.2Very high92.3Very high14 Ų1485 Ų8510%0.09543%0.43CS..Hα-helixtrans-72.1-39.5-180-168.10000112.2C171 H187 E188 A194 F195C171-C191 VanDerWaalsContact CB-SG 3.59Å; H187-C191 WeakPolarHBondContact NE2-CB 3.45Å; H187-C191 VanDerWaalsContact O-CB 3.27Å; H187-C191 WeakPolarHBondContact O-CB 3.36Å; H187-C191 PolarHBondContact O-N 3.23Å; E188-C191 PolarHBondContact O-N 3.15Å; C191-A194 PolarHBondContact O-N 2.76Å; C191-F195 VanDerWaalsContact O-CB 3.31Å; C191-F195 WeakPolarHBondContact O-CB 3.25Å; C191-F195 PolarHBondContact O-N 2.85Å
192L93.8Very high92.5Very high80 Ų8084 Ų8442%0.41943%0.429SS..Hα-helixtrans-60.2-51.4170.8-74.9165.5000111.2V170 E188 A194 F195 E196V170-L192 HydrophobicContact CG2-CD2 3.78Å; V170-L192 HydrophobicContact CG2-CG 4.26Å; E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.31Å; E188-L192 WeakPolarHBondContact O-CG 3.4Å; E188-L192 PolarHBondContact O-N 2.93Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 2.93Å; L192-F195 PolarHBondContact O-N 2.84Å; L192-F195 VanDerWaalsContact O-N 3.11Å; L192-E196 WeakPolarHBondContact O-CB 3.39Å; L192-E196 WeakPolarHBondContact O-CG 3.31Å; L192-E196 PolarHBondContact O-N 3.22Å
193L95.2Very high92.6Very high96 Ų9683.3 Ų83.350%0.50342%0.424SS..Hα-helixtrans-60.7-34.7177.8-71.4167.8000113K189 A197K189-L193 HydrophobicContact CG-CD1 4.13Å; K189-L193 WeakPolarHBondContact O-CD1 3.48Å; K189-L193 VanDerWaalsContact O-CG 3.27Å; K189-L193 WeakPolarHBondContact O-CG 3.18Å; K189-L193 PolarHBondContact O-N 3.1Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.46Å; L193-A197 PolarHBondContact O-N 2.71Å; L193-A197 VanDerWaalsContact O-N 3.15Å
194A93.8Very high92.8Very high48 Ų4880.8 Ų80.840%0.39742%0.417SS..Hα-helixtrans-69.3-43.1174.300000111.9V190 C191 L192 A197 D198V190-A194 WeakPolarHBondContact O-CB 3.48Å; V190-A194 PolarHBondContact O-N 2.86Å; C191-A194 PolarHBondContact O-N 2.76Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 2.93Å; A194-A197 PolarHBondContact O-N 3.27Å; A194-D198 WeakPolarHBondContact O-CB 3.14Å; A194-D198 PolarHBondContact O-N 3.29Å
195F94.7Very high92.9Very high118 Ų11879.6 Ų79.652%0.51842%0.42SS..Hα-helixtrans-65.7-44.3178177.5-94.9000112.4V170 C191 L192 D198 M199V170-F195 HydrophobicContact CG1-CB 3.56Å; V170-F195 HydrophobicContact CG1-CD1 4.45Å; V170-F195 HydrophobicContact CG1-CD2 3.88Å; V170-F195 HydrophobicContact CG1-CG 3.71Å; C191-F195 VanDerWaalsContact O-CB 3.31Å; C191-F195 WeakPolarHBondContact O-CB 3.25Å; C191-F195 PolarHBondContact O-N 2.85Å; L192-F195 PolarHBondContact O-N 2.84Å; L192-F195 VanDerWaalsContact O-N 3.11Å; F195-D198 PolarHBondContact O-N 3.13Å; F195-M199 WeakPolarHBondContact O-CB 3.47Å; F195-M199 PolarHBondContact O-N 2.8Å
196E94.1Very high93Very high92 Ų9279.1 Ų79.143%0.4342%0.424SS..Hα-helixtrans-55.9-51.8172.3-72.5166.9173.800110.4L192 D198 M199 E200L192-E196 WeakPolarHBondContact O-CB 3.39Å; L192-E196 WeakPolarHBondContact O-CG 3.31Å; L192-E196 PolarHBondContact O-N 3.22Å; E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 3.12Å; E196-M199 WeakPolarHBondContact O-CB 3.39Å; E196-M199 PolarHBondContact O-N 3.46Å; E196-E200 WeakPolarHBondContact O-CG 3.02Å; E196-E200 PolarHBondContact O-N 3.48Å
197A92.9Very high93Very high30 Ų3081.5 Ų81.525%0.24843%0.428CS..Hα-helixtrans-66.1-28.2179.100000113.5L193 A194 K201L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.46Å; L193-A197 PolarHBondContact O-N 2.71Å; L193-A197 VanDerWaalsContact O-N 3.15Å; A194-A197 PolarHBondContact O-N 3.27Å; A197-K201 WeakPolarHBondContact O-CD 3.14Å; A197-K201 VanDerWaalsContact O-CE 3.24Å; A197-K201 WeakPolarHBondContact O-CE 3.5Å; A197-K201 WeakPolarHBondContact O-CG 3.29Å; A197-K201 PolarHBondContact O-N 2.74Å; A197-K201 PolarHBondContact O-NZ 3.47Å
198D93Very high93.1Very high97 Ų9779.1 Ų79.152%0.51942%0.418SS..Hα-helixtrans-79.3-32.5174.3-80.4-15.9000112A194 F195 E196 K201 A202A194-D198 WeakPolarHBondContact O-CB 3.14Å; A194-D198 PolarHBondContact O-N 3.29Å; F195-D198 PolarHBondContact O-N 3.13Å; E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 3.12Å; D198-K201 PolarHBondContact O-N 3.09Å; D198-K201 IonicContact OD1-NZ 2.68Å; D198-K201 PolarHBondContact OD1-NZ 3.05Å; D198-A202 PolarHBondContact O-N 3.01Å
199M94.1Very high93.1Very high89 Ų8980.9 Ų80.944%0.43843%0.426SS..Hα-helixtrans-64.2-45.2170.6-176.2-1747000111.4F195 E196 K201 A202 F203F195-M199 WeakPolarHBondContact O-CB 3.47Å; F195-M199 PolarHBondContact O-N 2.8Å; E196-M199 WeakPolarHBondContact O-CB 3.39Å; E196-M199 PolarHBondContact O-N 3.46Å; M199-K201 PolarHBondContact O-N 3.2Å; M199-A202 WeakPolarHBondContact O-CB 3.36Å; M199-A202 PolarHBondContact O-N 3.1Å; M199-A202 VanDerWaalsContact O-N 3.14Å; M199-F203 HydrophobicContact CE-CE2 4.35Å; M199-F203 HydrophobicContact CG-CD2 3.96Å; M199-F203 HydrophobicContact CG-CE2 3.53Å; M199-F203 HydrophobicContact CG-CZ 4.44Å; M199-F203 VanDerWaalsContact O-CD2 3.3Å; M199-F203 WeakPolarHBondContact O-CD2 3.21Å; M199-F203 PolarHBondContact O-N 3.28Å; M199-F203 HydrophobicContact SD-CE2 3.97Å
200E91.8Very high93.1Very high131 Ų13179.8 Ų79.861%0.61243%0.427SS*.Hα-helixtrans-56.7-46.7172.8-73.5175.7171.300111.9E196 A202 F203 A204E196-E200 WeakPolarHBondContact O-CG 3.02Å; E196-E200 PolarHBondContact O-N 3.48Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.1Å; E200-F203 PolarHBondContact O-N 3.06Å; E200-A204 WeakPolarHBondContact O-CB 3.19Å; E200-A204 PolarHBondContact O-N 3.28Å
201K91.4Very high93.1Very high87 Ų8777.4 Ų77.438%0.37841%0.408SS..Hα-helixtrans-60.6-37.6175.5-69.8168.1-150.51100112A197 D198 M199 A205 Y278A197-K201 WeakPolarHBondContact O-CD 3.14Å; A197-K201 VanDerWaalsContact O-CE 3.24Å; A197-K201 WeakPolarHBondContact O-CE 3.5Å; A197-K201 WeakPolarHBondContact O-CG 3.29Å; A197-K201 PolarHBondContact O-N 2.74Å; A197-K201 PolarHBondContact O-NZ 3.47Å; D198-K201 PolarHBondContact O-N 3.09Å; D198-K201 IonicContact OD1-NZ 2.68Å; D198-K201 PolarHBondContact OD1-NZ 3.05Å; M199-K201 PolarHBondContact O-N 3.2Å; K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.33Å; K201-A205 PolarHBondContact O-N 3.08Å; K201-Y278 HydrophobicContact CB-CE2 4.43Å; K201-Y278 HydrophobicContact CG-CE2 4.36Å
202A92.3Very high93.2Very high60 Ų6080 Ų8050%0.49642%0.423SS..Hα-helixtrans-66.9-43.9177.900000111.9D198 M199 E200 A205 Q206D198-A202 PolarHBondContact O-N 3.01Å; M199-A202 WeakPolarHBondContact O-CB 3.36Å; M199-A202 PolarHBondContact O-N 3.1Å; M199-A202 VanDerWaalsContact O-N 3.14Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.1Å; A202-A205 PolarHBondContact O-N 2.99Å; A202-Q206 WeakPolarHBondContact O-CB 3.39Å; A202-Q206 PolarHBondContact O-N 3.42Å
203F93.4Very high93.3Very high115 Ų11576.1 Ų76.150%0.50440%0.403SS..Hα-helixtrans-63.2-46.1173.5-72.6-56.9000112M199 E200 A205 Q206 L207M199-F203 HydrophobicContact CE-CE2 4.35Å; M199-F203 HydrophobicContact CG-CD2 3.96Å; M199-F203 HydrophobicContact CG-CE2 3.53Å; M199-F203 HydrophobicContact CG-CZ 4.44Å; M199-F203 VanDerWaalsContact O-CD2 3.3Å; M199-F203 WeakPolarHBondContact O-CD2 3.21Å; M199-F203 PolarHBondContact O-N 3.28Å; M199-F203 HydrophobicContact SD-CE2 3.97Å; E200-F203 PolarHBondContact O-N 3.06Å; F203-A205 VanDerWaalsContact C-N 3.3Å; F203-A205 PolarHBondContact O-N 2.89Å; F203-Q206 PolarHBondContact O-N 3.06Å; F203-Q206 VanDerWaalsContact O-N 3.16Å; F203-L207 WeakPolarHBondContact O-CG 3.32Å; F203-L207 PolarHBondContact O-N 3.42Å
204A91.9Very high93.1Very high26 Ų2674.1 Ų74.122%0.21540%0.397CS..Hα-helixtrans-61.3-37.7176.400000112.5E200 S208 Y278E200-A204 WeakPolarHBondContact O-CB 3.19Å; E200-A204 PolarHBondContact O-N 3.28Å; A204-S208 VanDerWaalsContact O-CB 3.3Å; A204-S208 WeakPolarHBondContact O-CB 3.39Å; A204-S208 PolarHBondContact O-N 3.34Å; A204-S208 VanDerWaalsContact O-N 3.08Å; A204-S208 PolarHBondContact O-OG 3.15Å; A204-Y278 HydrophobicContact CB-CD1 4.43Å; A204-Y278 HydrophobicContact CB-CD2 3.87Å; A204-Y278 HydrophobicContact CB-CG 3.81Å
205A91.6Very high93.1Very high39 Ų3975.4 Ų75.432%0.32240%0.397SS..Hα-helixtrans-62.5-47.7172.600000111.5K201 A202 F203 S208 Q209 Y278K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.33Å; K201-A205 PolarHBondContact O-N 3.08Å; A202-A205 PolarHBondContact O-N 2.99Å; F203-A205 VanDerWaalsContact C-N 3.3Å; F203-A205 PolarHBondContact O-N 2.89Å; A205-S208 PolarHBondContact O-N 2.78Å; A205-S208 PolarHBondContact O-OG 3Å; A205-Q209 PolarHBondContact O-N 3.15Å; A205-Q209 VanDerWaalsContact O-N 3.1Å; A205-Y278 HydrophobicContact CB-CD1 4.18Å; A205-Y278 HydrophobicContact CB-CE1 3.82Å
206Q92.6Very high93.1Very high125 Ų12571.9 Ų71.958%0.58439%0.386SS*.Hα-helixtrans-61.9-46.7178.8-172.1178.22.100112.4A202 F203 S208 Q209A202-Q206 WeakPolarHBondContact O-CB 3.39Å; A202-Q206 PolarHBondContact O-N 3.42Å; F203-Q206 PolarHBondContact O-N 3.06Å; F203-Q206 VanDerWaalsContact O-N 3.16Å; Q206-S208 VanDerWaalsContact C-N 3.25Å; Q206-S208 PolarHBondContact O-N 2.76Å; Q206-Q209 WeakPolarHBondContact O-CB 3.4Å; Q206-Q209 PolarHBondContact O-N 3.17Å; Q206-Q209 VanDerWaalsContact O-N 3.11Å
207L91.4Very high93.1Very high105 Ų10575 Ų7555%0.5540%0.403SS..Hα-helixtrans-60.9-34.9175.9-69.2172000112.1F203 Q209 K211F203-L207 WeakPolarHBondContact O-CG 3.32Å; F203-L207 PolarHBondContact O-N 3.42Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-K211 WeakPolarHBondContact O-CE 3.44Å
208S93.4Very high93.2Very high2 Ų278 Ų781%0.01441%0.412CS..Hα-helixtrans-78.8-12177780000114.9A204 A205 Q206 N210 K211A204-S208 VanDerWaalsContact O-CB 3.3Å; A204-S208 WeakPolarHBondContact O-CB 3.39Å; A204-S208 PolarHBondContact O-N 3.34Å; A204-S208 VanDerWaalsContact O-N 3.08Å; A204-S208 PolarHBondContact O-OG 3.15Å; A205-S208 PolarHBondContact O-N 2.78Å; A205-S208 PolarHBondContact O-OG 3Å; Q206-S208 VanDerWaalsContact C-N 3.25Å; Q206-S208 PolarHBondContact O-N 2.76Å; S208-N210 VanDerWaalsContact C-N 3.28Å; S208-N210 PolarHBondContact O-N 3.16Å; S208-N210 VanDerWaalsContact O-N 3.15Å; S208-K211 PolarHBondContact O-N 3.42Å
209Q92.2Very high93.3Very high103 Ų10375 Ų7548%0.48140%0.397SS..THydrogen-bonded Turntrans-62.4-30.8-163.4-168.9171.59.500114.7A205 Q206 L207 V219 V221 Q222A205-Q209 PolarHBondContact O-N 3.15Å; A205-Q209 VanDerWaalsContact O-N 3.1Å; Q206-Q209 WeakPolarHBondContact O-CB 3.4Å; Q206-Q209 PolarHBondContact O-N 3.17Å; Q206-Q209 VanDerWaalsContact O-N 3.11Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-V219 VanDerWaalsContact O-CG1 3.25Å; Q209-V219 WeakPolarHBondContact O-CG1 3.19Å; Q209-V221 WeakPolarHBondContact O-CG2 3.47Å; Q209-Q222 PolarHBondContact O-NE2 2.77Å
210N93.2Very high93.3Very high121 Ų12170.8 Ų70.865%0.64738%0.376SS*.THydrogen-bonded Turntrans-113.914.9-174.5-61.6-44.6000113.2S208 V212S208-N210 VanDerWaalsContact C-N 3.28Å; S208-N210 PolarHBondContact O-N 3.16Å; S208-N210 VanDerWaalsContact O-N 3.15Å; N210-V212 PolarHBondContact O-N 3.16Å
211K94.3Very high93.4Very high47 Ų4766.2 Ų66.220%0.20436%0.357CS..  trans-83.3110.2-174.5-59.2-67.1176.2175.70111.1L207 S208 V220 F231 T240 W279 E281L207-K211 WeakPolarHBondContact O-CE 3.44Å; S208-K211 PolarHBondContact O-N 3.42Å; K211-V220 PolarHBondContact O-N 3.33Å; K211-F231 HydrophobicContact CB-CE1 3.7Å; K211-F231 HydrophobicContact CB-CZ 3.96Å; K211-T240 HydrophobicContact CB-CG2 4.13Å; K211-W279 HydrophobicContact CB-CB 4.49Å; K211-W279 HydrophobicContact CB-CG 4.37Å; K211-W279 HydrophobicContact CD-CG 4.23Å; K211-W279 HydrophobicContact CG-CB 4Å; K211-W279 HydrophobicContact CG-CG 3.85Å; K211-E281 IonicContact NZ-OE1 3.7Å; K211-E281 PolarHBondContact NZ-OE1 3.16Å; K211-E281 IonicContact NZ-OE2 2.71Å; K211-E281 PolarHBondContact NZ-OE2 3.4Å
212V95.6Very high93.5Very high68 Ų6867.9 Ų67.941%0.41237%0.366SS..BIsolated β-bridgetrans-85.6140.4-178.3177.60000110.9N210 M217 E218 V219 T240N210-V212 PolarHBondContact O-N 3.16Å; V212-M217 WeakPolarHBondContact CG1-O 3.44Å; V212-E218 WeakPolarHBondContact CA-O 3.25Å; V212-V219 HydrophobicContact CG2-CG2 3.81Å; V212-T240 WeakPolarHBondContact O-CB 3.4Å; V212-T240 WeakPolarHBondContact O-CG2 3.36Å
213C95.6Very high93.5Very high0 Ų065.8 Ų65.80%035%0.346CS..  trans-84.9123.7171.7172.70000112.2I215 C216 M217 E218 V220 T240 C242C213-I215 PolarHBondContact O-N 3.35Å; C213-I215 PolarHBondContact SG-N 2.77Å; C213-I215 VanDerWaalsContact SG-N 3.42Å; C213-C216 PolarHBondContact O-N 3.37Å; C213-M217 VanDerWaalsContact O-CA 3.25Å; C213-M217 WeakPolarHBondContact O-CA 3.28Å; C213-M217 PolarHBondContact O-N 2.87Å; C213-E218 PolarHBondContact N-O 3.12Å; C213-V220 HydrophobicContact CB-CG2 3.79Å; C213-T240 WeakPolarHBondContact CA-O 3.48Å; C213-C242 HydrophobicContact CB-CB 3.93Å; C213-C242 PolarHBondContact SG-N 2.61Å
214S92.8Very high93.3Very high54 Ų5465 Ų6538%0.37836%0.36SS..THydrogen-bonded Turntrans-66.4-10.4-178.1-32.70000115.7T240 E265S214-T240 PolarHBondContact N-O 3.34Å; S214-T240 VanDerWaalsContact N-O 3.16Å; S214-T240 PolarHBondContact OG-O 3.24Å; S214-E265 WeakPolarHBondContact CB-OE1 3.41Å; S214-E265 VanDerWaalsContact OG-CD 3.3Å; S214-E265 PolarHBondContact OG-OE1 2.9Å
215I93.3Very high93.3Very high74 Ų7465.5 Ų65.538%0.37937%0.365SS..THydrogen-bonded Turntrans-91.8-41.8179.6-62.1163.9000111.6C213 F241 C245 P264C213-I215 PolarHBondContact O-N 3.35Å; C213-I215 PolarHBondContact SG-N 2.77Å; C213-I215 VanDerWaalsContact SG-N 3.42Å; I215-F241 HydrophobicContact CD1-CB 4.49Å; I215-F241 HydrophobicContact CD1-CD1 3.43Å; I215-F241 VanDerWaalsContact CD1-CD1 3.43Å; I215-F241 HydrophobicContact CD1-CE1 3.95Å; I215-F241 HydrophobicContact CD1-CG 4.15Å; I215-F241 HydrophobicContact CG1-CD1 3.69Å; I215-F241 HydrophobicContact CG1-CE1 3.91Å; I215-C245 HydrophobicContact CB-CB 3.95Å; I215-C245 HydrophobicContact CD1-CB 3.67Å; I215-C245 HydrophobicContact CG1-CB 4.41Å; I215-C245 HydrophobicContact CG2-CB 4.04Å; I215-P264 HydrophobicContact CD1-CG 4.16Å; I215-P264 HydrophobicContact CG1-CG 4.49Å
216C93.8Very high93.2Very high44 Ų4468.4 Ų68.430%0.29738%0.38SS..THydrogen-bonded Turntrans-111.3-5.2-177.367.40000114C213 E218C213-C216 PolarHBondContact O-N 3.37Å; C216-E218 PolarHBondContact O-N 3.36Å; C216-E218 VanDerWaalsContact O-N 3.09Å
217M93.8Very high93Very high159 Ų15966.8 Ų66.878%0.78338%0.383SS*.  trans60.112.6-178.8-55.5-177.9-177.900115.2V212 C213V212-M217 WeakPolarHBondContact CG1-O 3.44Å; C213-M217 VanDerWaalsContact O-CA 3.25Å; C213-M217 WeakPolarHBondContact O-CA 3.28Å; C213-M217 PolarHBondContact O-N 2.87Å
218E95Very high92.8Very high92 Ų9265.1 Ų65.143%0.4337%0.372SS..SBendtrans-91146.8175.6-62.8174-177.900112.2V212 C213 C216 V220 K223V212-E218 WeakPolarHBondContact CA-O 3.25Å; C213-E218 PolarHBondContact N-O 3.12Å; C216-E218 PolarHBondContact O-N 3.36Å; C216-E218 VanDerWaalsContact O-N 3.09Å; E218-V220 PolarHBondContact O-N 2.97Å; E218-K223 WeakPolarHBondContact OE2-CE 3.33Å; E218-K223 WeakPolarHBondContact OE2-CG 3.12Å; E218-K223 IonicContact OE2-NZ 2.66Å; E218-K223 PolarHBondContact OE2-NZ 2.9Å
219V95.9Very high92.8Very high35 Ų3569.8 Ų69.821%0.21239%0.389CS..BIsolated β-bridgetrans-69.8117.1168.1-177.70000109.4Q209 V212 V221 Q222 K223Q209-V219 VanDerWaalsContact O-CG1 3.25Å; Q209-V219 WeakPolarHBondContact O-CG1 3.19Å; V212-V219 HydrophobicContact CG2-CG2 3.81Å; V219-V221 HydrophobicContact CG1-CG2 4.26Å; V219-V221 PolarHBondContact O-N 2.91Å; V219-Q222 HydrophobicContact CB-CB 4.13Å; V219-Q222 HydrophobicContact CB-CG 4.05Å; V219-Q222 HydrophobicContact CG1-CB 4.27Å; V219-Q222 HydrophobicContact CG1-CG 3.73Å; V219-Q222 PolarHBondContact O-N 2.89Å; V219-K223 PolarHBondContact O-N 3.41Å
220V94.3Very high92.9Very high0 Ų069.1 Ų69.10%038%0.382CS..G310 helixtrans-60.2-43.5-165.61760000112.6K211 C213 E218 Q222 K223 R229 R230 F231 C242K211-V220 PolarHBondContact O-N 3.33Å; C213-V220 HydrophobicContact CB-CG2 3.79Å; E218-V220 PolarHBondContact O-N 2.97Å; V220-Q222 VanDerWaalsContact C-N 3.3Å; V220-Q222 PolarHBondContact O-N 2.93Å; V220-K223 WeakPolarHBondContact O-CB 3.46Å; V220-R229 WeakPolarHBondContact O-CA 3.36Å; V220-R230 WeakPolarHBondContact CG1-O 3.43Å; V220-F231 HydrophobicContact CB-CD1 4.02Å; V220-F231 HydrophobicContact CB-CE1 3.49Å; V220-F231 VanDerWaalsContact CB-CE1 3.49Å; V220-F231 HydrophobicContact CB-CE2 4.49Å; V220-F231 HydrophobicContact CB-CZ 3.77Å; V220-F231 HydrophobicContact CG1-CD1 3.94Å; V220-F231 HydrophobicContact CG1-CD2 4.37Å; V220-F231 HydrophobicContact CG1-CE1 3.85Å; V220-F231 HydrophobicContact CG1-CE2 4.27Å; V220-F231 HydrophobicContact CG1-CG 4.22Å; V220-F231 HydrophobicContact CG1-CZ 4.02Å; V220-F231 HydrophobicContact CG2-CD1 4.01Å; V220-F231 HydrophobicContact CG2-CE1 3.72Å; V220-F231 HydrophobicContact CG2-CZ 4.48Å; V220-C242 HydrophobicContact CG1-CB 4.41Å; V220-C242 HydrophobicContact CG2-CB 3.99Å
221V94.3Very high93Very high34 Ų3463.3 Ų63.321%0.20635%0.351CS..G310 helixtrans-75.2-15.8-179.1-59.30000114.1Q209 V219 R229 F231Q209-V221 WeakPolarHBondContact O-CG2 3.47Å; V219-V221 HydrophobicContact CG1-CG2 4.26Å; V219-V221 PolarHBondContact O-N 2.91Å; V221-R229 WeakPolarHBondContact O-CD 3.25Å; V221-R229 WeakPolarHBondContact O-CG 3.32Å; V221-R229 PolarHBondContact O-NE 2.83Å; V221-F231 HydrophobicContact CG1-CE2 3.74Å; V221-F231 HydrophobicContact CG1-CZ 3.88Å
222Q93.9Very high93Very high122 Ų12261.1 Ų61.157%0.5734%0.342SS*.G310 helixtrans-92.6-8.4-178.8-58.6-176.32100112.8Q209 V219 V220Q209-Q222 PolarHBondContact O-NE2 2.77Å; V219-Q222 HydrophobicContact CB-CB 4.13Å; V219-Q222 HydrophobicContact CB-CG 4.05Å; V219-Q222 HydrophobicContact CG1-CB 4.27Å; V219-Q222 HydrophobicContact CG1-CG 3.73Å; V219-Q222 PolarHBondContact O-N 2.89Å; V220-Q222 VanDerWaalsContact C-N 3.3Å; V220-Q222 PolarHBondContact O-N 2.93Å
223K91.8Very high92.8Very high17 Ų1758 Ų587%0.07432%0.323CS..  trans-46140176.7-81.8179151.1-69.80112.9E218 V219 V220 A225 E228 R229E218-K223 WeakPolarHBondContact OE2-CE 3.33Å; E218-K223 WeakPolarHBondContact OE2-CG 3.12Å; E218-K223 IonicContact OE2-NZ 2.66Å; E218-K223 PolarHBondContact OE2-NZ 2.9Å; V219-K223 PolarHBondContact O-N 3.41Å; V220-K223 WeakPolarHBondContact O-CB 3.46Å; K223-A225 PolarHBondContact O-N 3.33Å; K223-E228 HydrophobicContact CB-CB 4.46Å; K223-E228 HydrophobicContact CD-CB 3.76Å; K223-E228 IonicContact NZ-OE2 2.72Å; K223-E228 PolarHBondContact NZ-OE2 3.19Å; K223-R229 HydrophobicContact CB-CG 4.24Å; K223-R229 VanDerWaalsContact O-CZ 3.31Å; K223-R229 PolarHBondContact O-NE 2.76Å; K223-R229 PolarHBondContact O-NH2 3.41Å
224A89.8Confident92.7Very high98 Ų9858 Ų5881%0.8132%0.323SS*.SBendtrans-57.6-45.9-175.900000112.8P226A224-P226 WeakPolarHBondContact O-CD 3.19Å
225A91.3Very high92.4Very high37 Ų3756.5 Ų56.531%0.30631%0.313SS..SBendtrans-83.5121.1179.800000112.1K223 S227 E228K223-A225 PolarHBondContact O-N 3.33Å; A225-S227 PolarHBondContact O-N 2.94Å; A225-S227 VanDerWaalsContact O-N 3.15Å; A225-E228 HydrophobicContact CB-CG 4.16Å; A225-E228 PolarHBondContact O-N 3.29Å
226P88.6Confident92.1Very high99 Ų9955.4 Ų55.464%0.64331%0.311SS*.G310 helixtrans-59.7-27178.6-26.235.8000114.4A224 E228 R229A224-P226 WeakPolarHBondContact O-CD 3.19Å; P226-E228 PolarHBondContact O-N 2.91Å; P226-R229 PolarHBondContact O-N 3.24Å
227S88.1Confident92Very high91 Ų9153.9 Ų53.964%0.63630%0.301SS*.G310 helixtrans-63.5-25.3174.646.90000113.8A225A225-S227 PolarHBondContact O-N 2.94Å; A225-S227 VanDerWaalsContact O-N 3.15Å
228E88.1Confident91.8Very high70 Ų7050.6 Ų50.633%0.32729%0.293SS..G310 helixtrans-97.8-6.3180-57.8-165.7176.900114.2K223 A225 P226 R230K223-E228 HydrophobicContact CB-CB 4.46Å; K223-E228 HydrophobicContact CD-CB 3.76Å; K223-E228 IonicContact NZ-OE2 2.72Å; K223-E228 PolarHBondContact NZ-OE2 3.19Å; A225-E228 HydrophobicContact CB-CG 4.16Å; A225-E228 PolarHBondContact O-N 3.29Å; P226-E228 PolarHBondContact O-N 2.91Å; E228-R230 PolarHBondContact O-N 2.94Å
229R93.2Very high91.7Very high101 Ų10148.4 Ų48.438%0.38128%0.282SS..  trans-73.456.8175.6-63.7179.7-174.2-173.1-1.1111.4V220 V221 K223 P226V220-R229 WeakPolarHBondContact O-CA 3.36Å; V221-R229 WeakPolarHBondContact O-CD 3.25Å; V221-R229 WeakPolarHBondContact O-CG 3.32Å; V221-R229 PolarHBondContact O-NE 2.83Å; K223-R229 HydrophobicContact CB-CG 4.24Å; K223-R229 VanDerWaalsContact O-CZ 3.31Å; K223-R229 PolarHBondContact O-NE 2.76Å; K223-R229 PolarHBondContact O-NH2 3.41Å; P226-R229 PolarHBondContact O-N 3.24Å
230R94.3Very high91.7Very high88 Ų8847.8 Ų47.833%0.33228%0.279SS..  trans-146.7131.6-168.7-63.2-171.268177.57.3110.4V220 E228 L243 P275 S276V220-R230 WeakPolarHBondContact CG1-O 3.43Å; E228-R230 PolarHBondContact O-N 2.94Å; R230-L243 HydrophobicContact CB-CB 3.9Å; R230-L243 HydrophobicContact CB-CD2 3.9Å; R230-L243 WeakPolarHBondContact O-CB 3.45Å; R230-L243 PolarHBondContact O-N 2.85Å; R230-P275 PolarHBondContact NH2-O 2.59Å; R230-S276 CarbonylContact C-O 3.17Å; R230-S276 VanDerWaalsContact CA-O 3.25Å; R230-S276 WeakPolarHBondContact CA-O 3.22Å; R230-S276 WeakPolarHBondContact CB-O 3.41Å
231F95.2Very high91.7Very high0 Ų047.8 Ų47.80%028%0.279CS..EExtended strand (participates in β ladder)trans-83.7142.2176.3-61.3-85.9000110.7K211 V220 V221 I233 T240 F241 S276 V277 Y278 W279K211-F231 HydrophobicContact CB-CE1 3.7Å; K211-F231 HydrophobicContact CB-CZ 3.96Å; V220-F231 HydrophobicContact CB-CD1 4.02Å; V220-F231 HydrophobicContact CB-CE1 3.49Å; V220-F231 VanDerWaalsContact CB-CE1 3.49Å; V220-F231 HydrophobicContact CB-CE2 4.49Å; V220-F231 HydrophobicContact CB-CZ 3.77Å; V220-F231 HydrophobicContact CG1-CD1 3.94Å; V220-F231 HydrophobicContact CG1-CD2 4.37Å; V220-F231 HydrophobicContact CG1-CE1 3.85Å; V220-F231 HydrophobicContact CG1-CE2 4.27Å; V220-F231 HydrophobicContact CG1-CG 4.22Å; V220-F231 HydrophobicContact CG1-CZ 4.02Å; V220-F231 HydrophobicContact CG2-CD1 4.01Å; V220-F231 HydrophobicContact CG2-CE1 3.72Å; V220-F231 HydrophobicContact CG2-CZ 4.48Å; V221-F231 HydrophobicContact CG1-CE2 3.74Å; V221-F231 HydrophobicContact CG1-CZ 3.88Å; F231-I233 HydrophobicContact CB-CG1 4.15Å; F231-T240 HydrophobicContact CD1-CG2 4.08Å; F231-T240 HydrophobicContact CE1-CG2 4.03Å; F231-F241 WeakPolarHBondContact CA-O 3.3Å; F231-S276 PolarHBondContact N-O 3.32Å; F231-S276 PolarHBondContact O-N 3.26Å; F231-V277 VanDerWaalsContact CD2-O 3.3Å; F231-V277 WeakPolarHBondContact CD2-O 3.45Å; F231-V277 WeakPolarHBondContact CE2-O 3.48Å; F231-Y278 VanDerWaalsContact CD2-C 3.43Å; F231-W279 HydrophobicContact CB-CE3 3.99Å; F231-W279 HydrophobicContact CB-CZ3 4.48Å; F231-W279 HydrophobicContact CD1-CB 4.26Å; F231-W279 HydrophobicContact CD1-CD2 4.25Å; F231-W279 AromaticContact CD1-CE3 3.51Å; F231-W279 HydrophobicContact CD1-CE3 3.51Å; F231-W279 HydrophobicContact CD1-CZ3 4.29Å; F231-W279 HydrophobicContact CD2-CB 4.2Å; F231-W279 HydrophobicContact CE1-CB 4.04Å; F231-W279 HydrophobicContact CE1-CE3 4.18Å; F231-W279 HydrophobicContact CE1-CG 4.47Å; F231-W279 HydrophobicContact CE2-CB 4Å; F231-W279 HydrophobicContact CG-CB 4.33Å; F231-W279 AromaticContact CG-CE3 3.85Å; F231-W279 HydrophobicContact CG-CE3 3.85Å; F231-W279 HydrophobicContact CZ-CB 3.91Å
232G93.8Very high91.7Very high0 Ų046.1 Ų46.10%027%0.269CS..EExtended strand (participates in β ladder)trans-104.481.1170.100000110.1F241G232-F241 PolarHBondContact N-O 3.45Å
233I92.9Very high91.7Very high2 Ų240.8 Ų40.81%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-72.6133.9-175.1-61.6172.4000109.5F231 I274 W279 V280 K286 L289F231-I233 HydrophobicContact CB-CG1 4.15Å; I233-I274 HydrophobicContact CB-CB 4.36Å; I233-I274 PolarHBondContact N-O 3.22Å; I233-I274 PolarHBondContact O-N 2.79Å; I233-W279 HydrophobicContact CG1-CE3 4.1Å; I233-W279 HydrophobicContact CG1-CZ3 3.84Å; I233-V280 HydrophobicContact CD1-CB 4.33Å; I233-V280 HydrophobicContact CD1-CG2 4.35Å; I233-K286 HydrophobicContact CG2-CG 4.35Å; I233-L289 HydrophobicContact CD1-CD2 3.71Å
234L91.9Very high91.8Very high1 Ų142 Ų421%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-98.3139.3175.5-63.1-175.3000110.2S236 F241 I246 C263 V273 K286L234-S236 VanDerWaalsContact C-N 3.29Å; L234-S236 PolarHBondContact O-N 3.41Å; L234-F241 HydrophobicContact CD1-CD2 4.12Å; L234-F241 HydrophobicContact CD1-CE2 3.8Å; L234-F241 HydrophobicContact CG-CD2 4.37Å; L234-F241 HydrophobicContact CG-CE2 4.48Å; L234-I246 HydrophobicContact CD1-CD1 4.37Å; L234-I246 HydrophobicContact CD2-CD1 4.44Å; L234-I246 HydrophobicContact CD2-CG1 4.05Å; L234-C263 HydrophobicContact CD1-CB 3.88Å; L234-V273 HydrophobicContact CD2-CG2 3.87Å; L234-K286 WeakPolarHBondContact O-CE 3.18Å; L234-K286 PolarHBondContact O-NZ 2.92Å
235S87.8Confident92Very high23 Ų2338 Ų3816%0.16122%0.22CC..THydrogen-bonded Turntrans-56.2-44179.758.60000112.6S270 K286S235-S270 PolarHBondContact N-OG 3.11Å; S235-S270 WeakPolarHBondContact OG-CB 3.2Å; S235-S270 PolarHBondContact OG-OG 3.1Å; S235-K286 WeakPolarHBondContact O-CE 3.43Å; S235-K286 PolarHBondContact O-NZ 3.45Å
236S86.9Confident92Very high50 Ų5036.2 Ų36.235%0.3521%0.206SC..THydrogen-bonded Turntrans-99.84.8-159.6-38.80000114.8L234 I269L234-S236 VanDerWaalsContact C-N 3.29Å; L234-S236 PolarHBondContact O-N 3.41Å; S236-I269 VanDerWaalsContact CB-O 3.28Å; S236-I269 WeakPolarHBondContact CB-O 3.48Å; S236-I269 PolarHBondContact OG-O 3.19Å
237C90.8Very high92.1Very high13 Ų1338.3 Ų38.39%0.08820%0.201CC..  trans-158.6173.6178.465.70000112.4H239 K286C237-H239 WeakPolarHBondContact CB-ND1 3.49Å; C237-H239 PolarHBondContact SG-ND1 3.36Å; C237-H239 VanDerWaalsContact SG-ND1 3.38Å; C237-K286 WeakPolarHBondContact O-CE 3.43Å; C237-K286 PolarHBondContact O-NZ 3.05Å
238C90.3Very high92.3Very high90 Ų9041 Ų4161%0.60820%0.204SC*.  trans-10614.6-178.550.90000114.5W279C238-W279 VanDerWaalsContact O-CZ2 3.25Å; C238-W279 WeakPolarHBondContact O-CZ2 3.19Å
239H93Very high92.3Very high46 Ų4641.3 Ų41.321%0.21320%0.202CC..  trans-73.8134.9-177.3-59.693.8000112.3C237 F241 E265 C266 W279C237-H239 WeakPolarHBondContact CB-ND1 3.49Å; C237-H239 PolarHBondContact SG-ND1 3.36Å; C237-H239 VanDerWaalsContact SG-ND1 3.38Å; H239-F241 HydrophobicContact CB-CE2 3.59Å; H239-F241 HydrophobicContact CB-CZ 3.61Å; H239-F241 WeakPolarHBondContact O-CD2 3.41Å; H239-E265 WeakPolarHBondContact CB-OE1 3.32Å; H239-E265 IonicContact CD2-OE1 2.62Å; H239-E265 IonicContact CD2-OE2 2.63Å; H239-E265 PolarHBondContact CD2-OE2 2.99Å; H239-E265 VanDerWaalsContact CD2-OE2 3.24Å; H239-E265 IonicContact CG-OE1 2.7Å; H239-C266 WeakPolarHBondContact CE1-CB 3.28Å; H239-C266 PolarHBondContact CE1-SG 3.42Å; H239-C266 PolarHBondContact ND1-SG 3.37Å; H239-C266 VanDerWaalsContact ND1-SG 3.36Å; H239-W279 WeakPolarHBondContact O-CH2 3.36Å
240T94.9Very high92.1Very high21 Ų2138.7 Ų38.713%0.12919%0.192CC..  trans-89.5118-169.2-60.40000112.1K211 V212 C213 S214 F231 W279K211-T240 HydrophobicContact CB-CG2 4.13Å; V212-T240 WeakPolarHBondContact O-CB 3.4Å; V212-T240 WeakPolarHBondContact O-CG2 3.36Å; C213-T240 WeakPolarHBondContact CA-O 3.48Å; S214-T240 PolarHBondContact N-O 3.34Å; S214-T240 VanDerWaalsContact N-O 3.16Å; S214-T240 PolarHBondContact OG-O 3.24Å; F231-T240 HydrophobicContact CD1-CG2 4.08Å; F231-T240 HydrophobicContact CE1-CG2 4.03Å; T240-W279 HydrophobicContact CG2-CD2 4.47Å; T240-W279 HydrophobicContact CG2-CE3 4.22Å; T240-W279 HydrophobicContact CG2-CH2 4.49Å; T240-W279 HydrophobicContact CG2-CZ3 4.22Å; T240-W279 VanDerWaalsContact OG1-CZ2 3.28Å; T240-W279 WeakPolarHBondContact OG1-CZ2 3.29Å
241F95.1Very high91.5Very high0 Ų037.1 Ų37.10%020%0.203CC..  trans-128.7142.5177.7-54.9-62.7000113.8I215 F231 G232 L234 H239 I246 P264 E265I215-F241 HydrophobicContact CD1-CB 4.49Å; I215-F241 HydrophobicContact CD1-CD1 3.43Å; I215-F241 VanDerWaalsContact CD1-CD1 3.43Å; I215-F241 HydrophobicContact CD1-CE1 3.95Å; I215-F241 HydrophobicContact CD1-CG 4.15Å; I215-F241 HydrophobicContact CG1-CD1 3.69Å; I215-F241 HydrophobicContact CG1-CE1 3.91Å; F231-F241 WeakPolarHBondContact CA-O 3.3Å; G232-F241 PolarHBondContact N-O 3.45Å; L234-F241 HydrophobicContact CD1-CD2 4.12Å; L234-F241 HydrophobicContact CD1-CE2 3.8Å; L234-F241 HydrophobicContact CG-CD2 4.37Å; L234-F241 HydrophobicContact CG-CE2 4.48Å; H239-F241 HydrophobicContact CB-CE2 3.59Å; H239-F241 HydrophobicContact CB-CZ 3.61Å; H239-F241 WeakPolarHBondContact O-CD2 3.41Å; F241-I246 HydrophobicContact CB-CB 3.9Å; F241-I246 HydrophobicContact CB-CG2 4.34Å; F241-I246 HydrophobicContact CD2-CD1 4.05Å; F241-I246 HydrophobicContact CD2-CG1 4.34Å; F241-I246 HydrophobicContact CE2-CD1 4.42Å; F241-I246 HydrophobicContact CG-CB 4.34Å; F241-I246 HydrophobicContact CG-CD1 4.31Å; F241-P264 HydrophobicContact CE1-CB 4.38Å; F241-P264 HydrophobicContact CE1-CG 4.1Å; F241-P264 HydrophobicContact CZ-CB 4.37Å; F241-P264 HydrophobicContact CZ-CG 4.05Å; F241-E265 HydrophobicContact CE1-CG 4.46Å; F241-E265 WeakPolarHBondContact CE1-OE1 3.44Å; F241-E265 HydrophobicContact CZ-CG 4.25Å; F241-E265 WeakPolarHBondContact CZ-OE1 3.09Å
242C95.1Very high90.7Very high0 Ų039.1 Ų39.10%022%0.215CC..BIsolated β-bridgetrans-71.5145.5165.5104.20000110C213 V220 S244 C245 I246C213-C242 HydrophobicContact CB-CB 3.93Å; C213-C242 PolarHBondContact SG-N 2.61Å; V220-C242 HydrophobicContact CG1-CB 4.41Å; V220-C242 HydrophobicContact CG2-CB 3.99Å; C242-S244 PolarHBondContact O-N 3.38Å; C242-S244 PolarHBondContact SG-OG 3.26Å; C242-C245 HydrophobicContact CB-CB 4.09Å; C242-C245 WeakPolarHBondContact CB-SG 3.4Å; C242-C245 VanDerWaalsContact O-CB 3.31Å; C242-C245 WeakPolarHBondContact O-CB 3.42Å; C242-C245 PolarHBondContact O-N 3.24Å; C242-C245 WeakPolarHBondContact SG-CB 3.21Å; C242-C245 PolarHBondContact SG-N 3.04Å; C242-C245 CovalentContact SG-SG 2.05Å; C242-C245 PolarHBondContact SG-SG 3.03Å; C242-I246 PolarHBondContact O-N 2.71Å; C242-I246 VanDerWaalsContact O-N 3.12Å
243L94.1Very high89.5Confident9 Ų945.3 Ų45.35%0.04725%0.253CS..Hα-helixtrans-63.4-37.2-172.6-179.663.8000113.5R230 R247 V273 P275R230-L243 HydrophobicContact CB-CB 3.9Å; R230-L243 HydrophobicContact CB-CD2 3.9Å; R230-L243 WeakPolarHBondContact O-CB 3.45Å; R230-L243 PolarHBondContact O-N 2.85Å; L243-R247 WeakPolarHBondContact O-CB 3.36Å; L243-R247 VanDerWaalsContact O-CD 3.29Å; L243-R247 WeakPolarHBondContact O-CD 3.19Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 2.95Å; L243-V273 HydrophobicContact CD1-CG1 4.41Å; L243-P275 HydrophobicContact CD1-CB 3.72Å; L243-P275 HydrophobicContact CD1-CG 3.97Å; L243-P275 HydrophobicContact CD2-CB 3.8Å; L243-P275 HydrophobicContact CG-CB 4.42Å
244S92.9Very high88.4Confident44 Ų4451.7 Ų51.731%0.30829%0.287SS..Hα-helixtrans-66.8-46.4173.937.30000111C242 I246 R247 Q248C242-S244 PolarHBondContact O-N 3.38Å; C242-S244 PolarHBondContact SG-OG 3.26Å; S244-I246 PolarHBondContact O-N 3.36Å; S244-R247 WeakPolarHBondContact O-CB 3.4Å; S244-R247 PolarHBondContact O-N 2.94Å; S244-Q248 PolarHBondContact O-N 3.27Å
245C93.4Very high87.3Confident12 Ų1256.5 Ų56.58%0.08131%0.308CS..Hα-helixtrans-52.3-56.6179.4-51.10000112.7I215 C242 R247 Q248 W249I215-C245 HydrophobicContact CB-CB 3.95Å; I215-C245 HydrophobicContact CD1-CB 3.67Å; I215-C245 HydrophobicContact CG1-CB 4.41Å; I215-C245 HydrophobicContact CG2-CB 4.04Å; C242-C245 HydrophobicContact CB-CB 4.09Å; C242-C245 WeakPolarHBondContact CB-SG 3.4Å; C242-C245 VanDerWaalsContact O-CB 3.31Å; C242-C245 WeakPolarHBondContact O-CB 3.42Å; C242-C245 PolarHBondContact O-N 3.24Å; C242-C245 WeakPolarHBondContact SG-CB 3.21Å; C242-C245 PolarHBondContact SG-N 3.04Å; C242-C245 CovalentContact SG-SG 2.05Å; C242-C245 PolarHBondContact SG-SG 3.03Å; C245-R247 VanDerWaalsContact C-N 3.29Å; C245-R247 PolarHBondContact O-N 3.31Å; C245-Q248 PolarHBondContact O-N 2.95Å; C245-W249 PolarHBondContact O-N 2.86Å; C245-W249 VanDerWaalsContact O-N 3.11Å
246I92.1Very high86.3Confident0 Ų058.2 Ų58.20%032%0.319CS..Hα-helixtrans-73.1-22-177.4-165.860.2000113L234 F241 C242 S244 W249 R250 P264 V273L234-I246 HydrophobicContact CD1-CD1 4.37Å; L234-I246 HydrophobicContact CD2-CD1 4.44Å; L234-I246 HydrophobicContact CD2-CG1 4.05Å; F241-I246 HydrophobicContact CB-CB 3.9Å; F241-I246 HydrophobicContact CB-CG2 4.34Å; F241-I246 HydrophobicContact CD2-CD1 4.05Å; F241-I246 HydrophobicContact CD2-CG1 4.34Å; F241-I246 HydrophobicContact CE2-CD1 4.42Å; F241-I246 HydrophobicContact CG-CB 4.34Å; F241-I246 HydrophobicContact CG-CD1 4.31Å; C242-I246 PolarHBondContact O-N 2.71Å; C242-I246 VanDerWaalsContact O-N 3.12Å; S244-I246 PolarHBondContact O-N 3.36Å; I246-W249 HydrophobicContact CD1-CB 4.35Å; I246-W249 HydrophobicContact CD1-CG 4.39Å; I246-R250 WeakPolarHBondContact O-CB 3.3Å; I246-R250 PolarHBondContact O-N 3.2Å; I246-R250 VanDerWaalsContact O-N 3.13Å; I246-P264 HydrophobicContact CD1-CG 4.1Å; I246-V273 HydrophobicContact CG1-CG2 4.14Å; I246-V273 HydrophobicContact CG2-CG1 3.74Å; I246-V273 HydrophobicContact CG2-CG2 4.28Å
247R90.8Very high85.6Confident144 Ų14458.4 Ų58.454%0.54332%0.317SS..Hα-helixtrans-72-38.8170.2-78.2173.9174.5-161.1-3.1111.9L243 S244 C245 R250 G251L243-R247 WeakPolarHBondContact O-CB 3.36Å; L243-R247 VanDerWaalsContact O-CD 3.29Å; L243-R247 WeakPolarHBondContact O-CD 3.19Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 2.95Å; S244-R247 WeakPolarHBondContact O-CB 3.4Å; S244-R247 PolarHBondContact O-N 2.94Å; C245-R247 VanDerWaalsContact C-N 3.29Å; C245-R247 PolarHBondContact O-N 3.31Å; R247-R250 PolarHBondContact O-N 2.75Å; R247-G251 PolarHBondContact O-N 3.48Å
248Q91.3Very high84.8Confident148 Ų14864.9 Ų64.969%0.69234%0.343SS*.Hα-helixtrans-66.6-42.6176.5-172.8172.5-5.300111.2S244 C245 G251 T252S244-Q248 PolarHBondContact O-N 3.27Å; C245-Q248 PolarHBondContact O-N 2.95Å; Q248-G251 PolarHBondContact O-N 3.46Å; Q248-T252 PolarHBondContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.47Å
249W89.6Confident84.2Confident76 Ų7664 Ų6429%0.28833%0.332SS..Hα-helixtrans-53.2-54.3169.5179.1-102.1000111.7C245 I246 G251 T252 I259 S262 P264C245-W249 PolarHBondContact O-N 2.86Å; C245-W249 VanDerWaalsContact O-N 3.11Å; I246-W249 HydrophobicContact CD1-CB 4.35Å; I246-W249 HydrophobicContact CD1-CG 4.39Å; W249-G251 VanDerWaalsContact C-N 3.26Å; W249-G251 PolarHBondContact O-N 2.83Å; W249-T252 PolarHBondContact O-N 3.14Å; W249-I259 HydrophobicContact CH2-CG2 4.39Å; W249-I259 HydrophobicContact CZ2-CG2 4.03Å; W249-I259 PolarHBondContact NE1-O 3.06Å; W249-S262 PolarHBondContact NE1-O 3.21Å; W249-P264 HydrophobicContact CD2-CB 4.48Å; W249-P264 HydrophobicContact CD2-CG 3.83Å; W249-P264 HydrophobicContact CE3-CG 4.33Å; W249-P264 HydrophobicContact CG-CG 3.98Å; W249-P264 HydrophobicContact CZ2-CB 4.44Å; W249-P264 HydrophobicContact CZ2-CG 4.39Å
250R87.2Confident83.7Confident45 Ų4563 Ų6317%0.1733%0.328CS..Hα-helixtrans-69-17.7179.7-80.1161.8-174.2-87-10.5115.2I246 R247 I260 K261 S270I246-R250 WeakPolarHBondContact O-CB 3.3Å; I246-R250 PolarHBondContact O-N 3.2Å; I246-R250 VanDerWaalsContact O-N 3.13Å; R247-R250 PolarHBondContact O-N 2.75Å; R250-I260 WeakPolarHBondContact CG-O 3.28Å; R250-K261 PolarHBondContact NH2-O 3.43Å; R250-S270 VanDerWaalsContact CZ-O 3.29Å; R250-S270 PolarHBondContact NH1-O 3.29Å; R250-S270 PolarHBondContact NH2-O 2.9Å
251G81.8Confident83.2Confident55 Ų5566.1 Ų66.157%0.56734%0.34SS*.Hα-helixtrans-92.5-5.6177.100000114.3R247 Q248 W249 T253R247-G251 PolarHBondContact O-N 3.48Å; Q248-G251 PolarHBondContact O-N 3.46Å; W249-G251 VanDerWaalsContact C-N 3.26Å; W249-G251 PolarHBondContact O-N 2.83Å; G251-T253 PolarHBondContact O-N 3.11Å
252T80.1Confident82.9Confident43 Ų4366.5 Ų66.526%0.26434%0.343SS..  trans-78.5108-178.1-62.30000110.7Q248 W249 N254 F255 I260Q248-T252 PolarHBondContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.47Å; W249-T252 PolarHBondContact O-N 3.14Å; T252-N254 VanDerWaalsContact C-N 3.25Å; T252-N254 HydrophobicContact CG2-CB 4.18Å; T252-N254 PolarHBondContact O-N 3.34Å; T252-F255 HydrophobicContact CG2-CD2 3.78Å; T252-F255 HydrophobicContact CG2-CE2 3.86Å; T252-I260 VanDerWaalsContact O-CG2 3.31Å; T252-I260 WeakPolarHBondContact O-CG2 3.22Å
253T67.8Low82.7Confident129 Ų12966.5 Ų66.579%0.79134%0.343SS*.THydrogen-bonded Turntrans-75.2-7.9-175.952.50000115.1G251 F255G251-T253 PolarHBondContact O-N 3.11Å; T253-F255 PolarHBondContact O-N 3.44Å
254N69.6Low82.5Confident136 Ų13667.8 Ų67.873%0.72735%0.351SS*.THydrogen-bonded Turntrans-76-9-174.5-59.2-17.8000113.9T252T252-N254 VanDerWaalsContact C-N 3.25Å; T252-N254 HydrophobicContact CG2-CB 4.18Å; T252-N254 PolarHBondContact O-N 3.34Å
255F67.8Low82.4Confident103 Ų10369.7 Ų69.745%0.45236%0.355SS..SBendtrans-120.5150.1-177.9-56.7-67.3000111.1T252 T253 I259 I260T252-F255 HydrophobicContact CG2-CD2 3.78Å; T252-F255 HydrophobicContact CG2-CE2 3.86Å; T253-F255 PolarHBondContact O-N 3.44Å; F255-I259 HydrophobicContact CB-CB 4.09Å; F255-I259 HydrophobicContact CB-CD1 4.42Å; F255-I259 HydrophobicContact CB-CG2 4Å; F255-I259 HydrophobicContact CG-CG2 4.32Å; F255-I260 HydrophobicContact CB-CG2 3.87Å
256C68.2Low82.3Confident58 Ų5871.3 Ų71.339%0.39237%0.367SS..  trans-63.1156.1-177.274.80000112.4K258 I259 I260C256-K258 PolarHBondContact O-N 3.47Å; C256-I259 PolarHBondContact O-N 3.42Å; C256-I260 PolarHBondContact O-N 3.06Å
257N70.9Confident82.2Confident55 Ų5580.9 Ų80.929%0.29440%0.402SS..Hα-helixtrans-51.6-22.6-175.8-115-56.4000114.4K261 E358N257-K261 WeakPolarHBondContact O-CB 3.21Å; N257-K261 VanDerWaalsContact O-CD 3.27Å; N257-K261 WeakPolarHBondContact O-CD 3.3Å; N257-K261 VanDerWaalsContact O-CG 3.3Å; N257-K261 WeakPolarHBondContact O-CG 3.1Å; N257-K261 VanDerWaalsContact OD1-CE 3.26Å; N257-K261 WeakPolarHBondContact OD1-CE 3.36Å; N257-K261 PolarHBondContact OD1-NZ 3.45Å; N257-E358 PolarHBondContact ND2-OE2 2.97Å
258K74Confident82.2Confident148 Ų14878 Ų7864%0.64340%0.397SS*.Hα-helixtrans-78.6-38.7176.9-64.2173.5-177.81700113.1C256 S262C256-K258 PolarHBondContact O-N 3.47Å; K258-S262 PolarHBondContact O-N 3.19Å
259I78.3Confident81.9Confident73 Ų7375.4 Ų75.437%0.37439%0.387SS..Hα-helixtrans-74.3-47.7-178.1-64.7168.8000110.1W249 F255 C256 K261 S262W249-I259 HydrophobicContact CH2-CG2 4.39Å; W249-I259 HydrophobicContact CZ2-CG2 4.03Å; W249-I259 PolarHBondContact NE1-O 3.06Å; F255-I259 HydrophobicContact CB-CB 4.09Å; F255-I259 HydrophobicContact CB-CD1 4.42Å; F255-I259 HydrophobicContact CB-CG2 4Å; F255-I259 HydrophobicContact CG-CG2 4.32Å; C256-I259 PolarHBondContact O-N 3.42Å; I259-K261 PolarHBondContact O-N 3.05Å; I259-S262 PolarHBondContact O-N 2.89Å; I259-S262 PolarHBondContact O-OG 3.15Å
260I81.9Confident81.7Confident25 Ų2571.9 Ų71.913%0.12837%0.374CS..Hα-helixtrans-63.8-27.2-178.769.5-177.9000112.4R250 T252 F255 C256R250-I260 WeakPolarHBondContact CG-O 3.28Å; T252-I260 VanDerWaalsContact O-CG2 3.31Å; T252-I260 WeakPolarHBondContact O-CG2 3.22Å; F255-I260 HydrophobicContact CB-CG2 3.87Å; C256-I260 PolarHBondContact O-N 3.06Å
261K84.8Confident81.5Confident85 Ų8576.6 Ų76.637%0.3740%0.398SS..THydrogen-bonded Turntrans-87.9-5.7176-67.8174.4-174.9155.20113.6R250 N257 I259 I269 S270R250-K261 PolarHBondContact NH2-O 3.43Å; N257-K261 WeakPolarHBondContact O-CB 3.21Å; N257-K261 VanDerWaalsContact O-CD 3.27Å; N257-K261 WeakPolarHBondContact O-CD 3.3Å; N257-K261 VanDerWaalsContact O-CG 3.3Å; N257-K261 WeakPolarHBondContact O-CG 3.1Å; N257-K261 VanDerWaalsContact OD1-CE 3.26Å; N257-K261 WeakPolarHBondContact OD1-CE 3.36Å; N257-K261 PolarHBondContact OD1-NZ 3.45Å; I259-K261 PolarHBondContact O-N 3.05Å; K261-I269 HydrophobicContact CB-CG2 4.23Å; K261-S270 PolarHBondContact O-N 2.82Å
262S88.9Confident81.5Confident9 Ų975.6 Ų75.66%0.06338%0.378CS..BIsolated β-bridgetrans-86.2161.2175.378.70000112.6W249 K258 I259 R267 I268W249-S262 PolarHBondContact NE1-O 3.21Å; K258-S262 PolarHBondContact O-N 3.19Å; I259-S262 PolarHBondContact O-N 2.89Å; I259-S262 PolarHBondContact O-OG 3.15Å; S262-R267 WeakPolarHBondContact CB-O 3.21Å; S262-I268 CarbonylContact C-O 3.59Å; S262-I268 WeakPolarHBondContact CA-O 3.25Å
263C91.5Very high82Confident0 Ų074.6 Ų74.60%037%0.372CS..  trans-66.4130.8165.61800000110.2L234 E265 C266 R267 I268L234-C263 HydrophobicContact CD1-CB 3.88Å; C263-E265 PolarHBondContact O-N 3.41Å; C263-E265 VanDerWaalsContact O-N 3.16Å; C263-C266 VanDerWaalsContact CB-SG 3.54Å; C263-R267 WeakPolarHBondContact O-CA 3.46Å; C263-R267 PolarHBondContact O-N 2.83Å; C263-I268 PolarHBondContact N-O 3.5Å
264P89.8Confident83.1Confident36 Ų3668.7 Ų68.723%0.23434%0.335CS..THydrogen-bonded Turntrans-52.5-33.7174.7-27.733.3000114.7I215 F241 I246 W249I215-P264 HydrophobicContact CD1-CG 4.16Å; I215-P264 HydrophobicContact CG1-CG 4.49Å; F241-P264 HydrophobicContact CE1-CB 4.38Å; F241-P264 HydrophobicContact CE1-CG 4.1Å; F241-P264 HydrophobicContact CZ-CB 4.37Å; F241-P264 HydrophobicContact CZ-CG 4.05Å; I246-P264 HydrophobicContact CD1-CG 4.1Å; W249-P264 HydrophobicContact CD2-CB 4.48Å; W249-P264 HydrophobicContact CD2-CG 3.83Å; W249-P264 HydrophobicContact CE3-CG 4.33Å; W249-P264 HydrophobicContact CG-CG 3.98Å; W249-P264 HydrophobicContact CZ2-CB 4.44Å; W249-P264 HydrophobicContact CZ2-CG 4.39Å
265E89.8Confident84.2Confident83 Ų8363.8 Ų63.839%0.38831%0.311SS..THydrogen-bonded Turntrans-86.8-74.4-177.3-65.5171.7-114.100111.4S214 H239 F241 C263 R267S214-E265 WeakPolarHBondContact CB-OE1 3.41Å; S214-E265 VanDerWaalsContact OG-CD 3.3Å; S214-E265 PolarHBondContact OG-OE1 2.9Å; H239-E265 WeakPolarHBondContact CB-OE1 3.32Å; H239-E265 IonicContact CD2-OE1 2.62Å; H239-E265 IonicContact CD2-OE2 2.63Å; H239-E265 PolarHBondContact CD2-OE2 2.99Å; H239-E265 VanDerWaalsContact CD2-OE2 3.24Å; H239-E265 IonicContact CG-OE1 2.7Å; F241-E265 HydrophobicContact CE1-CG 4.46Å; F241-E265 WeakPolarHBondContact CE1-OE1 3.44Å; F241-E265 HydrophobicContact CZ-CG 4.25Å; F241-E265 WeakPolarHBondContact CZ-OE1 3.09Å; C263-E265 PolarHBondContact O-N 3.41Å; C263-E265 VanDerWaalsContact O-N 3.16Å; E265-R267 PolarHBondContact O-N 3.17Å
266C92.1Very high85.4Confident47 Ų4759.7 Ų59.732%0.31830%0.295SS..THydrogen-bonded Turntrans-82.8-3.2-173.768.40000115.6H239 C263 I268H239-C266 WeakPolarHBondContact CE1-CB 3.28Å; H239-C266 PolarHBondContact CE1-SG 3.42Å; H239-C266 PolarHBondContact ND1-SG 3.37Å; H239-C266 VanDerWaalsContact ND1-SG 3.36Å; C263-C266 VanDerWaalsContact CB-SG 3.54Å; C266-I268 HydrophobicContact CB-CD1 4.36Å; C266-I268 HydrophobicContact CB-CG1 4.24Å; C266-I268 PolarHBondContact O-N 3.01Å; C266-I268 VanDerWaalsContact SG-CG1 3.53Å
267R89.4Confident86.6Confident200 Ų20060.6 Ų60.676%0.75530%0.298SS*.  trans56.610.2-177.5-54.6-178.8-177.4-178.10.1116.1S262 C263 E265 I269S262-R267 WeakPolarHBondContact CB-O 3.21Å; C263-R267 WeakPolarHBondContact O-CA 3.46Å; C263-R267 PolarHBondContact O-N 2.83Å; E265-R267 PolarHBondContact O-N 3.17Å; R267-I269 PolarHBondContact O-N 3.18Å
268I90.6Very high87.7Confident84 Ų8461.8 Ų61.843%0.43130%0.299SS..  trans-65133.8170.9-58.4174.3000109.1S262 C263 C266S262-I268 CarbonylContact C-O 3.59Å; S262-I268 WeakPolarHBondContact CA-O 3.25Å; C263-I268 PolarHBondContact N-O 3.5Å; C266-I268 HydrophobicContact CB-CD1 4.36Å; C266-I268 HydrophobicContact CB-CG1 4.24Å; C266-I268 PolarHBondContact O-N 3.01Å; C266-I268 VanDerWaalsContact SG-CG1 3.53Å
269I85.4Confident88.7Confident94 Ų9455.2 Ų55.248%0.48227%0.271SS..BIsolated β-bridgetrans-75.9133.1-179.2-58.5176.4000110.2S236 K261 R267S236-I269 VanDerWaalsContact CB-O 3.28Å; S236-I269 WeakPolarHBondContact CB-O 3.48Å; S236-I269 PolarHBondContact OG-O 3.19Å; K261-I269 HydrophobicContact CB-CG2 4.23Å; R267-I269 PolarHBondContact O-N 3.18Å
270S85.9Confident89.3Confident1 Ų152.8 Ų52.81%0.00726%0.259CS..  trans-135122.6172.9176.50000108.6S235 R250 K261 F272S235-S270 PolarHBondContact N-OG 3.11Å; S235-S270 WeakPolarHBondContact OG-CB 3.2Å; S235-S270 PolarHBondContact OG-OG 3.1Å; R250-S270 VanDerWaalsContact CZ-O 3.29Å; R250-S270 PolarHBondContact NH1-O 3.29Å; R250-S270 PolarHBondContact NH2-O 2.9Å; K261-S270 PolarHBondContact O-N 2.82Å; S270-F272 VanDerWaalsContact C-N 3.35Å; S270-F272 PolarHBondContact O-N 3.15Å; S270-F272 PolarHBondContact OG-O 3.25Å
271E81.9Confident89.5Confident145 Ų14556.5 Ų56.568%0.67828%0.276SS*.SBendtrans-70.5-30.7-169.8-60.8-169.213500113.2
272F83.3Confident89.8Confident33 Ų3357.5 Ų57.515%0.14529%0.285CS..  trans-138.2158.6-174.355.3-93.1000111.9S270 I274 I290 F293 L319S270-F272 VanDerWaalsContact C-N 3.35Å; S270-F272 PolarHBondContact O-N 3.15Å; S270-F272 PolarHBondContact OG-O 3.25Å; F272-I274 HydrophobicContact CD2-CG1 4.06Å; F272-I274 HydrophobicContact CE2-CD1 4.14Å; F272-I274 HydrophobicContact CE2-CG1 4.03Å; F272-I290 HydrophobicContact CZ-CG2 4.21Å; F272-F293 HydrophobicContact CD2-CD1 4.5Å; F272-F293 HydrophobicContact CD2-CE1 4.28Å; F272-L319 HydrophobicContact CB-CD1 3.97Å; F272-L319 HydrophobicContact CD1-CD1 4.33Å; F272-L319 HydrophobicContact CG-CD1 4.11Å
273V89.7Confident89.8Confident23 Ų2361.6 Ų61.614%0.13930%0.304CS..EExtended strand (participates in β ladder)trans-109.5133.4173.2-175.90000108.6L234 L243 I246 P275L234-V273 HydrophobicContact CD2-CG2 3.87Å; L243-V273 HydrophobicContact CD1-CG1 4.41Å; I246-V273 HydrophobicContact CG1-CG2 4.14Å; I246-V273 HydrophobicContact CG2-CG1 3.74Å; I246-V273 HydrophobicContact CG2-CG2 4.28Å; V273-P275 WeakPolarHBondContact O-CD 3.48Å
274I91.6Very high89.8Confident4 Ų469.1 Ų69.12%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-95119172.7-56.8177.5000109.5I233 F272 S276 L289 I290 F293I233-I274 HydrophobicContact CB-CB 4.36Å; I233-I274 PolarHBondContact N-O 3.22Å; I233-I274 PolarHBondContact O-N 2.79Å; F272-I274 HydrophobicContact CD2-CG1 4.06Å; F272-I274 HydrophobicContact CE2-CD1 4.14Å; F272-I274 HydrophobicContact CE2-CG1 4.03Å; I274-S276 PolarHBondContact O-N 2.91Å; I274-L289 HydrophobicContact CG2-CD2 4.21Å; I274-L289 HydrophobicContact CG2-CG 4.12Å; I274-I290 HydrophobicContact CD1-CB 4.12Å; I274-I290 HydrophobicContact CD1-CG1 3.4Å; I274-F293 HydrophobicContact CD1-CB 4.32Å; I274-F293 HydrophobicContact CD1-CD1 4.48Å; I274-F293 HydrophobicContact CG1-CB 4.38Å; I274-F293 HydrophobicContact CG1-CD1 3.89Å; I274-F293 HydrophobicContact CG1-CE1 4.3Å; I274-F293 HydrophobicContact CG1-CG 4.07Å; I274-F293 HydrophobicContact CG2-CB 4.16Å; I274-F293 HydrophobicContact CG2-CD2 4Å; I274-F293 HydrophobicContact CG2-CG 4.04Å
275P92.8Very high89.8Confident33 Ų3372 Ų7221%0.21435%0.349CS..EExtended strand (participates in β ladder)trans-82.398.7175.8-14.833.6000111.9R230 L243 V273R230-P275 PolarHBondContact NH2-O 2.59Å; L243-P275 HydrophobicContact CD1-CB 3.72Å; L243-P275 HydrophobicContact CD1-CG 3.97Å; L243-P275 HydrophobicContact CD2-CB 3.8Å; L243-P275 HydrophobicContact CG-CB 4.42Å; V273-P275 WeakPolarHBondContact O-CD 3.48Å
276S93.1Very high89.9Confident17 Ų1768.4 Ų68.412%0.11933%0.332CS..EExtended strand (participates in β ladder)trans-98165.8176.2-168.80000112.5R230 F231 I274 Y278R230-S276 CarbonylContact C-O 3.17Å; R230-S276 VanDerWaalsContact CA-O 3.25Å; R230-S276 WeakPolarHBondContact CA-O 3.22Å; R230-S276 WeakPolarHBondContact CB-O 3.41Å; F231-S276 PolarHBondContact N-O 3.32Å; F231-S276 PolarHBondContact O-N 3.26Å; I274-S276 PolarHBondContact O-N 2.91Å; S276-Y278 WeakPolarHBondContact CB-O 3.26Å; S276-Y278 PolarHBondContact OG-N 2.7Å; S276-Y278 PolarHBondContact OG-O 2.91Å
277V92.9Very high89.8Confident77 Ų7770 Ų7047%0.46734%0.337SS..SBendtrans-94.9-41.3166.7-179.90000110.2F231F231-V277 VanDerWaalsContact CD2-O 3.3Å; F231-V277 WeakPolarHBondContact CD2-O 3.45Å; F231-V277 WeakPolarHBondContact CE2-O 3.48Å
278Y93.6Very high90Very high80 Ų8066.1 Ų66.131%0.31433%0.328SS..SBendtrans-99.9160.2176.6-49.1-57.2000111.4K201 A204 A205 F231 S276K201-Y278 HydrophobicContact CB-CE2 4.43Å; K201-Y278 HydrophobicContact CG-CE2 4.36Å; A204-Y278 HydrophobicContact CB-CD1 4.43Å; A204-Y278 HydrophobicContact CB-CD2 3.87Å; A204-Y278 HydrophobicContact CB-CG 3.81Å; A205-Y278 HydrophobicContact CB-CD1 4.18Å; A205-Y278 HydrophobicContact CB-CE1 3.82Å; F231-Y278 VanDerWaalsContact CD2-C 3.43Å; S276-Y278 WeakPolarHBondContact CB-O 3.26Å; S276-Y278 PolarHBondContact OG-N 2.7Å; S276-Y278 PolarHBondContact OG-O 2.91Å
279W94.4Very high90Very high10 Ų1064 Ų644%0.03832%0.318CS..  trans-88.8150.8173-176.9-108.8000109.9K211 F231 I233 C238 H239 T240 E281K211-W279 HydrophobicContact CB-CB 4.49Å; K211-W279 HydrophobicContact CB-CG 4.37Å; K211-W279 HydrophobicContact CD-CG 4.23Å; K211-W279 HydrophobicContact CG-CB 4Å; K211-W279 HydrophobicContact CG-CG 3.85Å; F231-W279 HydrophobicContact CB-CE3 3.99Å; F231-W279 HydrophobicContact CB-CZ3 4.48Å; F231-W279 HydrophobicContact CD1-CB 4.26Å; F231-W279 HydrophobicContact CD1-CD2 4.25Å; F231-W279 AromaticContact CD1-CE3 3.51Å; F231-W279 HydrophobicContact CD1-CE3 3.51Å; F231-W279 HydrophobicContact CD1-CZ3 4.29Å; F231-W279 HydrophobicContact CD2-CB 4.2Å; F231-W279 HydrophobicContact CE1-CB 4.04Å; F231-W279 HydrophobicContact CE1-CE3 4.18Å; F231-W279 HydrophobicContact CE1-CG 4.47Å; F231-W279 HydrophobicContact CE2-CB 4Å; F231-W279 HydrophobicContact CG-CB 4.33Å; F231-W279 AromaticContact CG-CE3 3.85Å; F231-W279 HydrophobicContact CG-CE3 3.85Å; F231-W279 HydrophobicContact CZ-CB 3.91Å; I233-W279 HydrophobicContact CG1-CE3 4.1Å; I233-W279 HydrophobicContact CG1-CZ3 3.84Å; C238-W279 VanDerWaalsContact O-CZ2 3.25Å; C238-W279 WeakPolarHBondContact O-CZ2 3.19Å; H239-W279 WeakPolarHBondContact O-CH2 3.36Å; T240-W279 HydrophobicContact CG2-CD2 4.47Å; T240-W279 HydrophobicContact CG2-CE3 4.22Å; T240-W279 HydrophobicContact CG2-CH2 4.49Å; T240-W279 HydrophobicContact CG2-CZ3 4.22Å; T240-W279 VanDerWaalsContact OG1-CZ2 3.28Å; T240-W279 WeakPolarHBondContact OG1-CZ2 3.29Å; W279-E281 PolarHBondContact NE1-OE1 2.84Å
280V92.3Very high90.2Very high23 Ų2360 Ų6014%0.13930%0.297CS..  trans-134.9127-178.2177.10000107.6I233 E285 K286 L289I233-V280 HydrophobicContact CD1-CB 4.33Å; I233-V280 HydrophobicContact CD1-CG2 4.35Å; V280-E285 HydrophobicContact CG1-CB 3.5Å; V280-E285 VanDerWaalsContact CG1-CB 3.5Å; V280-K286 HydrophobicContact CG1-CB 3.93Å; V280-L289 HydrophobicContact CG2-CD2 4.13Å
281E85.8Confident90.5Very high103 Ų10366.6 Ų66.648%0.48133%0.327SS..  trans-105.5-42.7-175.6-42.6-135.288.400110.9K211 W279K211-E281 IonicContact NZ-OE1 3.7Å; K211-E281 PolarHBondContact NZ-OE1 3.16Å; K211-E281 IonicContact NZ-OE2 2.71Å; K211-E281 PolarHBondContact NZ-OE2 3.4Å; W279-E281 PolarHBondContact NE1-OE1 2.84Å
282D90.4Very high90.9Very high105 Ų10565.3 Ų65.356%0.56133%0.325SS*.SBendtrans-70.8133.8-178.1-69.6-64.9000112.3E284 E285 K286D282-E284 VanDerWaalsContact C-N 3.26Å; D282-E284 PolarHBondContact O-N 3.43Å; D282-E285 HydrophobicContact CB-CB 4.49Å; D282-E285 HydrophobicContact CB-CG 4.27Å; D282-E285 PolarHBondContact O-N 3.31Å; D282-K286 VanDerWaalsContact O-CB 3.23Å; D282-K286 WeakPolarHBondContact O-CB 3.23Å; D282-K286 PolarHBondContact O-N 3.05Å
283Q88.9Confident91.2Very high96 Ų9665.7 Ų65.745%0.44933%0.326SS..Hα-helixtrans-66.9-29.6-175-176.556.647.300111.9K286 D287Q283-K286 PolarHBondContact O-N 3.39Å; Q283-D287 PolarHBondContact NE2-OD1 3.17Å; Q283-D287 PolarHBondContact NE2-OD2 3.23Å; Q283-D287 WeakPolarHBondContact O-CB 3.21Å; Q283-D287 PolarHBondContact O-N 2.81Å
284E91.8Very high91.2Very high157 Ų15769.1 Ų69.173%0.73434%0.339SS*.Hα-helixtrans-69.8-50.1177-61.9-173.3-175.900112.3D282 K286 D287 Q288D282-E284 VanDerWaalsContact C-N 3.26Å; D282-E284 PolarHBondContact O-N 3.43Å; E284-K286 PolarHBondContact O-N 2.93Å; E284-D287 PolarHBondContact O-N 3.24Å; E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.18Å
285E90.3Very high91.1Very high98 Ų9870.9 Ų70.946%0.45835%0.352SS..Hα-helixtrans-57.6-39.1172.9-67.5-167.9158.200111.4V280 D282 Q288 L289V280-E285 HydrophobicContact CG1-CB 3.5Å; V280-E285 VanDerWaalsContact CG1-CB 3.5Å; D282-E285 HydrophobicContact CB-CB 4.49Å; D282-E285 HydrophobicContact CB-CG 4.27Å; D282-E285 PolarHBondContact O-N 3.31Å; E285-Q288 WeakPolarHBondContact O-CB 3.49Å; E285-Q288 PolarHBondContact O-N 3.37Å; E285-L289 WeakPolarHBondContact O-CB 3.23Å; E285-L289 PolarHBondContact O-N 2.91Å
286K90.9Very high90.9Very high7 Ų770.7 Ų70.73%0.0336%0.356CS..Hα-helixtrans-67.7-38.9179-174.2-164.5-175.6-163.40112.2I233 L234 S235 C237 V280 D282 Q283 E284 L289 I290I233-K286 HydrophobicContact CG2-CG 4.35Å; L234-K286 WeakPolarHBondContact O-CE 3.18Å; L234-K286 PolarHBondContact O-NZ 2.92Å; S235-K286 WeakPolarHBondContact O-CE 3.43Å; S235-K286 PolarHBondContact O-NZ 3.45Å; C237-K286 WeakPolarHBondContact O-CE 3.43Å; C237-K286 PolarHBondContact O-NZ 3.05Å; V280-K286 HydrophobicContact CG1-CB 3.93Å; D282-K286 VanDerWaalsContact O-CB 3.23Å; D282-K286 WeakPolarHBondContact O-CB 3.23Å; D282-K286 PolarHBondContact O-N 3.05Å; Q283-K286 PolarHBondContact O-N 3.39Å; E284-K286 PolarHBondContact O-N 2.93Å; K286-L289 PolarHBondContact O-N 2.86Å; K286-I290 HydrophobicContact CG-CD1 4.3Å; K286-I290 WeakPolarHBondContact O-CB 3.26Å; K286-I290 WeakPolarHBondContact O-CD1 3.41Å; K286-I290 VanDerWaalsContact O-CG1 3.23Å; K286-I290 WeakPolarHBondContact O-CG1 3.38Å; K286-I290 PolarHBondContact O-N 3.31Å
287D90.9Very high90.6Very high79 Ų7970.2 Ų70.242%0.42235%0.353SS..Hα-helixtrans-71.7-36175.6-78.3-37.3000111.9Q283 E284 I290 E291Q283-D287 PolarHBondContact NE2-OD1 3.17Å; Q283-D287 PolarHBondContact NE2-OD2 3.23Å; Q283-D287 WeakPolarHBondContact O-CB 3.21Å; Q283-D287 PolarHBondContact O-N 2.81Å; E284-D287 PolarHBondContact O-N 3.24Å; D287-I290 WeakPolarHBondContact O-CB 3.32Å; D287-I290 PolarHBondContact O-N 2.91Å; D287-I290 VanDerWaalsContact OD1-CD1 3.26Å; D287-I290 WeakPolarHBondContact OD1-CD1 3.39Å; D287-E291 PolarHBondContact O-N 2.72Å
288Q92.5Very high90.2Very high120 Ų12069.1 Ų69.156%0.56135%0.348SS*.Hα-helixtrans-59.7-45.3167-67.5174.450.100111.2E284 E285 I290 E291 L292E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.18Å; E285-Q288 WeakPolarHBondContact O-CB 3.49Å; E285-Q288 PolarHBondContact O-N 3.37Å; Q288-I290 VanDerWaalsContact C-N 3.32Å; Q288-I290 PolarHBondContact O-N 2.69Å; Q288-E291 PolarHBondContact O-N 2.96Å; Q288-E291 VanDerWaalsContact O-N 3.14Å; Q288-L292 WeakPolarHBondContact O-CB 3.5Å; Q288-L292 WeakPolarHBondContact O-CG 3.34Å; Q288-L292 PolarHBondContact O-N 3.32Å
289L91.8Very high90Very high40 Ų4072.9 Ų72.921%0.20937%0.366CS..Hα-helixtrans-63.3-36.5175.6-177.765.7000112.1I233 I274 V280 E285 K286 F293I233-L289 HydrophobicContact CD1-CD2 3.71Å; I274-L289 HydrophobicContact CG2-CD2 4.21Å; I274-L289 HydrophobicContact CG2-CG 4.12Å; V280-L289 HydrophobicContact CG2-CD2 4.13Å; E285-L289 WeakPolarHBondContact O-CB 3.23Å; E285-L289 PolarHBondContact O-N 2.91Å; K286-L289 PolarHBondContact O-N 2.86Å; L289-F293 WeakPolarHBondContact O-CB 3.48Å; L289-F293 PolarHBondContact O-N 3.33Å
290I89.8Confident89.6Confident9 Ų978.5 Ų78.55%0.04639%0.391CS..Hα-helixtrans-61.6-43171.8-74.4155.8000110.6F272 I274 K286 D287 Q288 K294F272-I290 HydrophobicContact CZ-CG2 4.21Å; I274-I290 HydrophobicContact CD1-CB 4.12Å; I274-I290 HydrophobicContact CD1-CG1 3.4Å; K286-I290 HydrophobicContact CG-CD1 4.3Å; K286-I290 WeakPolarHBondContact O-CB 3.26Å; K286-I290 WeakPolarHBondContact O-CD1 3.41Å; K286-I290 VanDerWaalsContact O-CG1 3.23Å; K286-I290 WeakPolarHBondContact O-CG1 3.38Å; K286-I290 PolarHBondContact O-N 3.31Å; D287-I290 WeakPolarHBondContact O-CB 3.32Å; D287-I290 PolarHBondContact O-N 2.91Å; D287-I290 VanDerWaalsContact OD1-CD1 3.26Å; D287-I290 WeakPolarHBondContact OD1-CD1 3.39Å; Q288-I290 VanDerWaalsContact C-N 3.32Å; Q288-I290 PolarHBondContact O-N 2.69Å; I290-K294 HydrophobicContact CG2-CD 3.88Å; I290-K294 VanDerWaalsContact CG2-CE 3.42Å; I290-K294 VanDerWaalsContact CG2-NZ 3.27Å; I290-K294 WeakPolarHBondContact O-CB 3.35Å; I290-K294 WeakPolarHBondContact O-CD 3.23Å; I290-K294 VanDerWaalsContact O-CG 3.22Å; I290-K294 WeakPolarHBondContact O-CG 3.5Å; I290-K294 PolarHBondContact O-N 2.66Å
291E91.2Very high89.3Confident139 Ų13981.2 Ų81.265%0.6542%0.416SS*.Hα-helixtrans-70.9-44.3177.9-175.4168.2-173.200112.9D287 Q288 F293 K294 S295D287-E291 PolarHBondContact O-N 2.72Å; Q288-E291 PolarHBondContact O-N 2.96Å; Q288-E291 VanDerWaalsContact O-N 3.14Å; E291-F293 VanDerWaalsContact C-N 3.28Å; E291-F293 PolarHBondContact O-N 2.63Å; E291-K294 PolarHBondContact O-N 2.7Å; E291-S295 WeakPolarHBondContact O-CB 3.41Å; E291-S295 PolarHBondContact O-N 2.96Å; E291-S295 PolarHBondContact O-OG 3.14Å
292L91.1Very high89.3Confident118 Ų11876.6 Ų76.662%0.61840%0.395SS*.Hα-helixtrans-59.8-39.6174-70.3171.5000111.2Q288 S295 G296Q288-L292 WeakPolarHBondContact O-CB 3.5Å; Q288-L292 WeakPolarHBondContact O-CG 3.34Å; Q288-L292 PolarHBondContact O-N 3.32Å; L292-S295 PolarHBondContact O-OG 3.21Å; L292-G296 PolarHBondContact O-N 2.98Å
293F90.2Very high89.1Confident42 Ų4280.3 Ų80.318%0.18441%0.406CS..Hα-helixtrans-65.5-50.1173-177.6-107000112F272 I274 L289 E291 S295 G296 V297 L319F272-F293 HydrophobicContact CD2-CD1 4.5Å; F272-F293 HydrophobicContact CD2-CE1 4.28Å; I274-F293 HydrophobicContact CD1-CB 4.32Å; I274-F293 HydrophobicContact CD1-CD1 4.48Å; I274-F293 HydrophobicContact CG1-CB 4.38Å; I274-F293 HydrophobicContact CG1-CD1 3.89Å; I274-F293 HydrophobicContact CG1-CE1 4.3Å; I274-F293 HydrophobicContact CG1-CG 4.07Å; I274-F293 HydrophobicContact CG2-CB 4.16Å; I274-F293 HydrophobicContact CG2-CD2 4Å; I274-F293 HydrophobicContact CG2-CG 4.04Å; L289-F293 WeakPolarHBondContact O-CB 3.48Å; L289-F293 PolarHBondContact O-N 3.33Å; E291-F293 VanDerWaalsContact C-N 3.28Å; E291-F293 PolarHBondContact O-N 2.63Å; F293-S295 PolarHBondContact O-N 3.37Å; F293-G296 PolarHBondContact O-N 3.38Å; F293-V297 HydrophobicContact CD1-CG2 4.38Å; F293-V297 HydrophobicContact CD2-CG2 3.89Å; F293-V297 HydrophobicContact CE1-CG2 4.18Å; F293-V297 HydrophobicContact CE2-CG2 3.64Å; F293-V297 HydrophobicContact CG-CG2 4.26Å; F293-V297 HydrophobicContact CZ-CG2 3.81Å; F293-V297 WeakPolarHBondContact O-CB 3.44Å; F293-V297 WeakPolarHBondContact O-CG2 3.45Å; F293-V297 PolarHBondContact O-N 2.88Å; F293-L319 HydrophobicContact CE1-CD1 4.16Å
294K88.4Confident88.7Confident94 Ų9482 Ų8241%0.40941%0.409SS..Hα-helixtrans-58.4-46.7177.6-75.6165.9178.1169.10112.1I290 E291 S298 L319I290-K294 HydrophobicContact CG2-CD 3.88Å; I290-K294 VanDerWaalsContact CG2-CE 3.42Å; I290-K294 VanDerWaalsContact CG2-NZ 3.27Å; I290-K294 WeakPolarHBondContact O-CB 3.35Å; I290-K294 WeakPolarHBondContact O-CD 3.23Å; I290-K294 VanDerWaalsContact O-CG 3.22Å; I290-K294 WeakPolarHBondContact O-CG 3.5Å; I290-K294 PolarHBondContact O-N 2.66Å; E291-K294 PolarHBondContact O-N 2.7Å; K294-S298 VanDerWaalsContact O-CB 3.23Å; K294-S298 WeakPolarHBondContact O-CB 3.45Å; K294-S298 PolarHBondContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 3.24Å; K294-L319 HydrophobicContact CG-CD2 4.32Å
295S89.7Confident88.2Confident41 Ų4175.5 Ų75.529%0.28738%0.378SS..Hα-helixtrans-72.6-27.4-179.465.40000113.2E291 L292 F293 K299E291-S295 WeakPolarHBondContact O-CB 3.41Å; E291-S295 PolarHBondContact O-N 2.96Å; E291-S295 PolarHBondContact O-OG 3.14Å; L292-S295 PolarHBondContact O-OG 3.21Å; F293-S295 PolarHBondContact O-N 3.37Å; S295-K299 WeakPolarHBondContact O-CD 3.24Å; S295-K299 WeakPolarHBondContact O-CE 3.33Å; S295-K299 VanDerWaalsContact O-CG 3.29Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å
296G88.5Confident87.9Confident29 Ų2975 Ų7530%0.29938%0.379SS..Hα-helixtrans-78.9-33.9172.600000114.3L292 F293L292-G296 PolarHBondContact O-N 2.98Å; F293-G296 PolarHBondContact O-N 3.38Å
297V87.2Confident87.4Confident8 Ų879.6 Ų79.65%0.04840%0.4CS..Hα-helixtrans-81.2-38.6179.1178.40000111.5F293 K299 K300 L319 Y320F293-V297 HydrophobicContact CD1-CG2 4.38Å; F293-V297 HydrophobicContact CD2-CG2 3.89Å; F293-V297 HydrophobicContact CE1-CG2 4.18Å; F293-V297 HydrophobicContact CE2-CG2 3.64Å; F293-V297 HydrophobicContact CG-CG2 4.26Å; F293-V297 HydrophobicContact CZ-CG2 3.81Å; F293-V297 WeakPolarHBondContact O-CB 3.44Å; F293-V297 WeakPolarHBondContact O-CG2 3.45Å; F293-V297 PolarHBondContact O-N 2.88Å; V297-K299 PolarHBondContact O-N 2.89Å; V297-K299 VanDerWaalsContact O-N 3.11Å; V297-K300 WeakPolarHBondContact O-CB 3.44Å; V297-K300 PolarHBondContact O-N 3.37Å; V297-L319 CarbonylContact C-O 3.39Å; V297-L319 HydrophobicContact CG1-CB 3.83Å; V297-L319 WeakPolarHBondContact CG1-O 3.3Å; V297-Y320 HydrophobicContact CG1-CD1 3.68Å; V297-Y320 HydrophobicContact CG1-CD2 3.7Å; V297-Y320 HydrophobicContact CG1-CE1 3.66Å; V297-Y320 HydrophobicContact CG1-CE2 3.67Å; V297-Y320 HydrophobicContact CG1-CG 3.69Å
298S85.3Confident86.7Confident53 Ų5377.6 Ų77.637%0.37140%0.398SS..THydrogen-bonded Turntrans-69.9-4.5177.859.30000115K294 L319 L321K294-S298 VanDerWaalsContact O-CB 3.23Å; K294-S298 WeakPolarHBondContact O-CB 3.45Å; K294-S298 PolarHBondContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 3.24Å; S298-L319 WeakPolarHBondContact CA-O 3.49Å; S298-L319 PolarHBondContact N-O 3.46Å; S298-L319 VanDerWaalsContact N-O 3.14Å; S298-L321 WeakPolarHBondContact O-CB 3.1Å
299K88.3Confident86Confident160 Ų16081.5 Ų81.570%0.69641%0.408SS*.THydrogen-bonded Turntrans-90.7-19.6167-68.5167.5-171169.50112.8S295 V297S295-K299 WeakPolarHBondContact O-CD 3.24Å; S295-K299 WeakPolarHBondContact O-CE 3.33Å; S295-K299 VanDerWaalsContact O-CG 3.29Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å; V297-K299 PolarHBondContact O-N 2.89Å; V297-K299 VanDerWaalsContact O-N 3.11Å
300K87.1Confident85.3Confident128 Ų12880.8 Ų80.856%0.55741%0.411SS*.SBendtrans-90.5129.2-176.2-65.9174.3-175.9178.80110.1V297 C302 Y320 L321V297-K300 WeakPolarHBondContact O-CB 3.44Å; V297-K300 PolarHBondContact O-N 3.37Å; K300-C302 PolarHBondContact O-N 3.08Å; K300-Y320 HydrophobicContact CB-CD1 4.12Å; K300-Y320 HydrophobicContact CB-CE1 4.48Å; K300-L321 WeakPolarHBondContact O-CB 3.42Å; K300-L321 PolarHBondContact O-N 3.12Å
301A85.8Confident84.9Confident80 Ų8085 Ų8566%0.66144%0.441SS*.BIsolated β-bridgetrans-56.9135.1178.900000112K303A301-K303 PolarHBondContact O-N 2.62Å
302C85.5Confident84.3Confident6 Ų678.6 Ų78.64%0.04141%0.412CS..  trans-74.4115.3179.5-179.60000111.8K300 Y304 F305 D306 L321 H322K300-C302 PolarHBondContact O-N 3.08Å; C302-Y304 PolarHBondContact O-N 3.47Å; C302-Y304 VanDerWaalsContact O-N 3.09Å; C302-F305 HydrophobicContact CB-CB 3.89Å; C302-F305 PolarHBondContact O-N 3.22Å; C302-D306 PolarHBondContact O-N 2.9Å; C302-D306 VanDerWaalsContact O-N 3.13Å; C302-L321 WeakPolarHBondContact CB-O 3.35Å; C302-L321 PolarHBondContact N-O 3.1Å; C302-H322 WeakPolarHBondContact CB-CD2 3.36Å; C302-H322 PolarHBondContact SG-NE2 2.92Å; C302-H322 VanDerWaalsContact SG-NE2 3.41Å
303K85.8Confident83.5Confident183 Ų18376.6 Ų76.680%0.79641%0.406SS*.THydrogen-bonded Turntrans-52.7-30.6176.4-174.1178.9178.4-176.40114A301A301-K303 PolarHBondContact O-N 2.62Å
304Y79.9Confident82.6Confident131 Ų13180.3 Ų80.351%0.51442%0.422SS..THydrogen-bonded Turntrans-91.1-13.2-178.7-57.5-72.1000114.3C302 G310 S311 C312 F314C302-Y304 PolarHBondContact O-N 3.47Å; C302-Y304 VanDerWaalsContact O-N 3.09Å; Y304-G310 CarbonylContact O-C 3.57Å; Y304-G310 WeakPolarHBondContact O-CA 3.4Å; Y304-S311 CarbonylContact O-C 3.35Å; Y304-S311 PolarHBondContact O-N 3.03Å; Y304-C312 PolarHBondContact O-N 3.33Å; Y304-F314 HydrophobicContact CD2-CD2 4.47Å; Y304-F314 HydrophobicContact CD2-CE2 4.08Å; Y304-F314 AromaticContact CE2-CE2 3.92Å; Y304-F314 HydrophobicContact CE2-CE2 3.92Å
305F82.3Confident81.9Confident21 Ų2176.6 Ų76.69%0.09241%0.41CS..THydrogen-bonded Turntrans-91-33.7174.2-171.6-109.8000111.4C302 Q307 G308 R309 G310 C312 H322 A323 Y324 P330C302-F305 HydrophobicContact CB-CB 3.89Å; C302-F305 PolarHBondContact O-N 3.22Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.33Å; F305-G308 CarbonylContact O-C 3.56Å; F305-G308 WeakPolarHBondContact O-CA 3.21Å; F305-G308 PolarHBondContact O-N 3.49Å; F305-R309 PolarHBondContact O-N 3.44Å; F305-G310 PolarHBondContact O-N 2.85Å; F305-C312 HydrophobicContact CB-CB 4.43Å; F305-H322 VanDerWaalsContact CB-CD2 3.44Å; F305-H322 WeakPolarHBondContact CB-CD2 3.35Å; F305-H322 HydrophobicContact CD1-CB 4.01Å; F305-H322 HydrophobicContact CD2-CB 4.37Å; F305-H322 HydrophobicContact CE1-CB 4.12Å; F305-H322 HydrophobicContact CE2-CB 4.47Å; F305-H322 HydrophobicContact CG-CB 4.14Å; F305-H322 AromaticContact CG-CD2 3.65Å; F305-H322 AromaticContact CG-CG 3.96Å; F305-H322 HydrophobicContact CZ-CB 4.34Å; F305-A323 WeakPolarHBondContact CE1-O 3.29Å; F305-Y324 HydrophobicContact CE1-CD1 4.19Å; F305-Y324 HydrophobicContact CE1-CE1 4.23Å; F305-Y324 HydrophobicContact CZ-CD1 4.07Å; F305-Y324 AromaticContact CZ-CE1 3.64Å; F305-Y324 HydrophobicContact CZ-CE1 3.64Å; F305-Y324 HydrophobicContact CZ-CE2 4.39Å; F305-Y324 AromaticContact CZ-CZ 3.82Å; F305-P330 HydrophobicContact CE2-CG 4.23Å; F305-P330 HydrophobicContact CZ-CB 4.33Å; F305-P330 HydrophobicContact CZ-CG 3.85Å
306D82.7Confident80.9Confident87 Ų8778.6 Ų78.647%0.46544%0.437SS..G310 helixtrans42.356176.1-169.237.5000113.1C302 G308 R309C302-D306 PolarHBondContact O-N 2.9Å; C302-D306 VanDerWaalsContact O-N 3.13Å; D306-G308 PolarHBondContact O-N 2.84Å; D306-G308 VanDerWaalsContact O-N 3.1Å; D306-R309 HydrophobicContact CB-CB 4.24Å; D306-R309 VanDerWaalsContact O-CB 3.24Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 VanDerWaalsContact O-CG 3.29Å; D306-R309 WeakPolarHBondContact O-CG 3.46Å; D306-R309 PolarHBondContact O-N 3.34Å; D306-R309 WeakPolarHBondContact OD2-CD 3.31Å
307Q81.9Confident80.1Confident103 Ų10383.1 Ų83.148%0.48146%0.455SS..G310 helixtrans54.131.6-177.7-52.6178.5500114.7F305 A323 P325F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.33Å; Q307-A323 WeakPolarHBondContact CA-O 3.35Å; Q307-P325 HydrophobicContact CB-CG 3.94Å; Q307-P325 VanDerWaalsContact O-CD 3.32Å; Q307-P325 WeakPolarHBondContact O-CD 3.44Å
308G76.4Confident79.7Confident37 Ų3783.8 Ų83.838%0.38146%0.459SS..G310 helixtrans90.20.4-178.200000114.8F305 D306F305-G308 CarbonylContact O-C 3.56Å; F305-G308 WeakPolarHBondContact O-CA 3.21Å; F305-G308 PolarHBondContact O-N 3.49Å; D306-G308 PolarHBondContact O-N 2.84Å; D306-G308 VanDerWaalsContact O-N 3.1Å
309R76.6Confident79.5Confident202 Ų20284 Ų8476%0.76246%0.456SS*.THydrogen-bonded Turntrans-75.7-27.2170.9-59.4174.3-176.8-80.3-0.8112F305 D306F305-R309 PolarHBondContact O-N 3.44Å; D306-R309 HydrophobicContact CB-CB 4.24Å; D306-R309 VanDerWaalsContact O-CB 3.24Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 VanDerWaalsContact O-CG 3.29Å; D306-R309 WeakPolarHBondContact O-CG 3.46Å; D306-R309 PolarHBondContact O-N 3.34Å; D306-R309 WeakPolarHBondContact OD2-CD 3.31Å
310G77.6Confident79.3Confident26 Ų2681.7 Ų81.727%0.26844%0.444SS..SBendtrans-112.2152.1-178.700000113.8Y304 F305Y304-G310 CarbonylContact O-C 3.57Å; Y304-G310 WeakPolarHBondContact O-CA 3.4Å; F305-G310 PolarHBondContact O-N 2.85Å
311S81.1Confident79.2Confident98 Ų9877.5 Ų77.569%0.68543%0.427SS*.  trans-96.3107.5170.1-176.30000109.8Y304Y304-S311 CarbonylContact O-C 3.35Å; Y304-S311 PolarHBondContact O-N 3.03Å
312C78.4Confident79.2Confident4 Ų475.2 Ų75.23%0.02740%0.403CS..  trans-64.3124.9176.4-178.90000110.7Y304 F305 F314 G315 H322 R352Y304-C312 PolarHBondContact O-N 3.33Å; F305-C312 HydrophobicContact CB-CB 4.43Å; C312-F314 VanDerWaalsContact C-N 3.31Å; C312-F314 PolarHBondContact O-N 2.84Å; C312-G315 PolarHBondContact O-N 2.77Å; C312-H322 VanDerWaalsContact CB-NE2 3.28Å; C312-H322 WeakPolarHBondContact CB-NE2 3.29Å; C312-H322 PolarHBondContact SG-NE2 3.18Å; C312-R352 PolarHBondContact O-NH1 3.23Å; C312-R352 PolarHBondContact O-NH2 2.81Å; C312-R352 VanDerWaalsContact O-NH2 3.13Å
313P75.9Confident79.3Confident76 Ų7675.8 Ų75.849%0.49441%0.408SS..THydrogen-bonded Turntrans-64.8-36.6-179.424.8-32.4000111.5G315 R352P313-G315 PolarHBondContact O-N 3.21Å; P313-R352 PolarHBondContact O-NH1 3.05Å
314F70.4Confident79Confident119 Ų11971.7 Ų71.752%0.52239%0.388SS..THydrogen-bonded Turntrans-69.7-12.2179-50.7-72.1000114.4Y304 C312 G316 N317 C318Y304-F314 HydrophobicContact CD2-CD2 4.47Å; Y304-F314 HydrophobicContact CD2-CE2 4.08Å; Y304-F314 AromaticContact CE2-CE2 3.92Å; Y304-F314 HydrophobicContact CE2-CE2 3.92Å; C312-F314 VanDerWaalsContact C-N 3.31Å; C312-F314 PolarHBondContact O-N 2.84Å; F314-G316 PolarHBondContact O-N 3.14Å; F314-N317 PolarHBondContact O-N 3.43Å; F314-C318 HydrophobicContact CB-CB 4Å
315G73.8Confident78.8Confident16 Ų1670 Ų7017%0.16539%0.393CS..G310 helixtrans55.4-125.5173.700000113.3C312 P313 N317 H322C312-G315 PolarHBondContact O-N 2.77Å; P313-G315 PolarHBondContact O-N 3.21Å; G315-N317 VanDerWaalsContact C-N 3.27Å; G315-N317 PolarHBondContact O-N 2.94Å; G315-H322 PolarHBondContact O-CE1 3.34Å; G315-H322 VanDerWaalsContact O-CE1 3.24Å
316G67.8Low78.5Confident83 Ų8375.1 Ų75.186%0.85642%0.422SS*.G310 helixtrans-70.6-17.6176.700000114.7F314 C318F314-G316 PolarHBondContact O-N 3.14Å; G316-C318 VanDerWaalsContact C-N 3.28Å; G316-C318 PolarHBondContact O-N 3.24Å
317N72.1Confident77.9Confident125 Ų12573.5 Ų73.567%0.66843%0.425SS*.G310 helixtrans-92.715.4-180-61.515.4000111.7F314 G315 L319F314-N317 PolarHBondContact O-N 3.43Å; G315-N317 VanDerWaalsContact C-N 3.27Å; G315-N317 PolarHBondContact O-N 2.94Å; N317-L319 PolarHBondContact O-N 2.89Å
318C79.8Confident77.7Confident21 Ų2172 Ų7214%0.14242%0.423CS..  trans-75.6122176.3-163.60000110.9F314 G316 Y320 H322F314-C318 HydrophobicContact CB-CB 4Å; G316-C318 VanDerWaalsContact C-N 3.28Å; G316-C318 PolarHBondContact O-N 3.24Å; C318-Y320 PolarHBondContact O-N 3.01Å; C318-H322 WeakPolarHBondContact CB-CE1 3.41Å
319L81.3Confident77.4Confident57 Ų5779 Ų7930%0.29844%0.438SS..SBendtrans-69-17.5175-67168.8000113.5F272 F293 K294 V297 S298 N317F272-L319 HydrophobicContact CB-CD1 3.97Å; F272-L319 HydrophobicContact CD1-CD1 4.33Å; F272-L319 HydrophobicContact CG-CD1 4.11Å; F293-L319 HydrophobicContact CE1-CD1 4.16Å; K294-L319 HydrophobicContact CG-CD2 4.32Å; V297-L319 CarbonylContact C-O 3.39Å; V297-L319 HydrophobicContact CG1-CB 3.83Å; V297-L319 WeakPolarHBondContact CG1-O 3.3Å; S298-L319 WeakPolarHBondContact CA-O 3.49Å; S298-L319 PolarHBondContact N-O 3.46Å; S298-L319 VanDerWaalsContact N-O 3.14Å; N317-L319 PolarHBondContact O-N 2.89Å
320Y84.3Confident77Confident112 Ų11271.1 Ų71.144%0.43941%0.413SS..SBendtrans-93.5154.2-176.1-68.2-98.7000111.8V297 K300 C318 H322V297-Y320 HydrophobicContact CG1-CD1 3.68Å; V297-Y320 HydrophobicContact CG1-CD2 3.7Å; V297-Y320 HydrophobicContact CG1-CE1 3.66Å; V297-Y320 HydrophobicContact CG1-CE2 3.67Å; V297-Y320 HydrophobicContact CG1-CG 3.69Å; K300-Y320 HydrophobicContact CB-CD1 4.12Å; K300-Y320 HydrophobicContact CB-CE1 4.48Å; C318-Y320 PolarHBondContact O-N 3.01Å; Y320-H322 PolarHBondContact O-N 3.32Å; Y320-H322 VanDerWaalsContact O-N 3.17Å
321L84.8Confident76.1Confident41 Ų4175.7 Ų75.722%0.21543%0.428CS..BIsolated β-bridgetrans-63.2116.8-178.9-174.559.8000111.8S298 K300 C302 A323S298-L321 WeakPolarHBondContact O-CB 3.1Å; K300-L321 WeakPolarHBondContact O-CB 3.42Å; K300-L321 PolarHBondContact O-N 3.12Å; C302-L321 WeakPolarHBondContact CB-O 3.35Å; C302-L321 PolarHBondContact N-O 3.1Å; L321-A323 HydrophobicContact CD1-CB 4.43Å; L321-A323 HydrophobicContact CD2-CB 4.24Å; L321-A323 HydrophobicContact CG-CB 4.04Å
322H85.7Confident75Confident31 Ų3176.4 Ų76.414%0.14443%0.43CS..  trans-89.3113.7158.2-63.2164000108.6C302 F305 C312 G315 C318 Y320 P330C302-H322 WeakPolarHBondContact CB-CD2 3.36Å; C302-H322 PolarHBondContact SG-NE2 2.92Å; C302-H322 VanDerWaalsContact SG-NE2 3.41Å; F305-H322 VanDerWaalsContact CB-CD2 3.44Å; F305-H322 WeakPolarHBondContact CB-CD2 3.35Å; F305-H322 HydrophobicContact CD1-CB 4.01Å; F305-H322 HydrophobicContact CD2-CB 4.37Å; F305-H322 HydrophobicContact CE1-CB 4.12Å; F305-H322 HydrophobicContact CE2-CB 4.47Å; F305-H322 HydrophobicContact CG-CB 4.14Å; F305-H322 AromaticContact CG-CD2 3.65Å; F305-H322 AromaticContact CG-CG 3.96Å; F305-H322 HydrophobicContact CZ-CB 4.34Å; C312-H322 VanDerWaalsContact CB-NE2 3.28Å; C312-H322 WeakPolarHBondContact CB-NE2 3.29Å; C312-H322 PolarHBondContact SG-NE2 3.18Å; G315-H322 PolarHBondContact O-CE1 3.34Å; G315-H322 VanDerWaalsContact O-CE1 3.24Å; C318-H322 WeakPolarHBondContact CB-CE1 3.41Å; Y320-H322 PolarHBondContact O-N 3.32Å; Y320-H322 VanDerWaalsContact O-N 3.17Å; H322-P330 HydrophobicContact CB-CG 3.64Å; H322-P330 VanDerWaalsContact O-CD 3.3Å; H322-P330 WeakPolarHBondContact O-CD 3.31Å
323A85.8Confident73.9Confident19 Ų1980.6 Ų80.616%0.15745%0.452CS..  trans-146.5139.8172.600000108.4F305 Q307 L321 T328F305-A323 WeakPolarHBondContact CE1-O 3.29Å; Q307-A323 WeakPolarHBondContact CA-O 3.35Å; L321-A323 HydrophobicContact CD1-CB 4.43Å; L321-A323 HydrophobicContact CD2-CB 4.24Å; L321-A323 HydrophobicContact CG-CB 4.04Å; A323-T328 CarbonylContact C-O 3.23Å; A323-T328 WeakPolarHBondContact CA-O 3.44Å
324Y80.5Confident72.6Confident97 Ų9785.7 Ų85.738%0.3846%0.461SS..  trans-74175173.9-69.5-66.9000110.9F305 D326 G327 T328 P330F305-Y324 HydrophobicContact CE1-CD1 4.19Å; F305-Y324 HydrophobicContact CE1-CE1 4.23Å; F305-Y324 HydrophobicContact CZ-CD1 4.07Å; F305-Y324 AromaticContact CZ-CE1 3.64Å; F305-Y324 HydrophobicContact CZ-CE1 3.64Å; F305-Y324 HydrophobicContact CZ-CE2 4.39Å; F305-Y324 AromaticContact CZ-CZ 3.82Å; Y324-D326 PolarHBondContact O-N 3.32Å; Y324-G327 PolarHBondContact O-N 2.92Å; Y324-T328 VanDerWaalsContact CD2-O 3.28Å; Y324-T328 WeakPolarHBondContact CD2-O 3.46Å; Y324-T328 PolarHBondContact N-O 3.09Å; Y324-P330 HydrophobicContact CE2-CB 3.84Å
325P76.6Confident71.9Confident95 Ų9582.4 Ų82.462%0.61745%0.452SS*.THydrogen-bonded Turntrans-63.8-24.5-179.7-17.732.7000112.3Q307 G327Q307-P325 HydrophobicContact CB-CG 3.94Å; Q307-P325 VanDerWaalsContact O-CD 3.32Å; Q307-P325 WeakPolarHBondContact O-CD 3.44Å; P325-G327 PolarHBondContact O-N 3.37Å
326D74.2Confident71Confident129 Ų12990.9 Ų90.969%0.6948%0.479SS*.THydrogen-bonded Turntrans-79.87.1174.2-179.161.2000113.1Y324 T328Y324-D326 PolarHBondContact O-N 3.32Å; D326-T328 PolarHBondContact O-N 3.29Å; D326-T328 VanDerWaalsContact OD2-CG2 3.22Å; D326-T328 WeakPolarHBondContact OD2-CG2 3.38Å; D326-T328 PolarHBondContact OD2-OG1 3.41Å
327G70.6Confident70.5Confident52 Ų5293.4 Ų93.454%0.53647%0.466SS..SBendtrans71-16.6-178.200000115.1Y324 P325 R329Y324-G327 PolarHBondContact O-N 2.92Å; P325-G327 PolarHBondContact O-N 3.37Å; G327-R329 PolarHBondContact O-N 3.48Å
328T77.4Confident69.8Low71 Ų7192.7 Ų92.744%0.43646%0.459SS..PPolyproline II helixtrans-54.9129.9173.5370000111.3A323 Y324 D326A323-T328 CarbonylContact C-O 3.23Å; A323-T328 WeakPolarHBondContact CA-O 3.44Å; Y324-T328 VanDerWaalsContact CD2-O 3.28Å; Y324-T328 WeakPolarHBondContact CD2-O 3.46Å; Y324-T328 PolarHBondContact N-O 3.09Å; D326-T328 PolarHBondContact O-N 3.29Å; D326-T328 VanDerWaalsContact OD2-CG2 3.22Å; D326-T328 WeakPolarHBondContact OD2-CG2 3.38Å; D326-T328 PolarHBondContact OD2-OG1 3.41Å
329R71.8Confident68.3Low184 Ų18497.4 Ų97.469%0.69448%0.482SS*.PPolyproline II helixtrans-81.6141.3174.3-61.7-175.7179.4-171.6-3.3109.1G327 E331G327-R329 PolarHBondContact O-N 3.48Å; R329-E331 PolarHBondContact O-N 3.33Å
330P66.9Low67.1Low37 Ų3796.5 Ų96.524%0.2448%0.48CS..PPolyproline II helixtrans-60.4134169.427.5-32.8000109.2F305 H322 Y324F305-P330 HydrophobicContact CE2-CG 4.23Å; F305-P330 HydrophobicContact CZ-CB 4.33Å; F305-P330 HydrophobicContact CZ-CG 3.85Å; H322-P330 HydrophobicContact CB-CG 3.64Å; H322-P330 VanDerWaalsContact O-CD 3.3Å; H322-P330 WeakPolarHBondContact O-CD 3.31Å; Y324-P330 HydrophobicContact CE2-CB 3.84Å
331E59.7Low65.5Low123 Ų12397.2 Ų97.258%0.57550%0.502SS*.PPolyproline II helixtrans-58.4134.2176.3-167.8-179.2179.400109.5R329 D333 R334R329-E331 PolarHBondContact O-N 3.33Å; E331-D333 PolarHBondContact O-N 3.33Å; E331-R334 IonicContact OE1-CZ 2.68Å; E331-R334 IonicContact OE1-NE 3.77Å; E331-R334 PolarHBondContact OE1-NE 2.93Å; E331-R334 IonicContact OE1-NH2 3.08Å; E331-R334 PolarHBondContact OE1-NH2 3.2Å; E331-R334 IonicContact OE2-NH2 3.31Å
332P57.4Low64.6Low112 Ų112102.8 Ų102.873%0.72753%0.527SS*.PPolyproline II helixtrans-57.2117.9177.422.6-33.5000109.7R334P332-R334 PolarHBondContact O-N 2.85Å
333D54.4Low63.4Low93 Ų93103.8 Ų103.850%0.49755%0.545SS..  trans-56.9101.2-167.1-158.9-20.8000110.5E331 R350E331-D333 PolarHBondContact O-N 3.33Å; D333-R350 WeakPolarHBondContact OD2-CD 3.33Å; D333-R350 IonicContact OD2-CZ 2.63Å; D333-R350 IonicContact OD2-NE 3.6Å; D333-R350 IonicContact OD2-NH1 2.76Å; D333-R350 PolarHBondContact OD2-NH1 3.03Å
334R49.6Very low61.9Low183 Ų183107.8 Ų107.869%0.69156%0.564SS**  trans-60.4123.7-158.7-66.3-174.3-177.4-168.52.8110.2E331 P332 R336E331-R334 IonicContact OE1-CZ 2.68Å; E331-R334 IonicContact OE1-NE 3.77Å; E331-R334 PolarHBondContact OE1-NE 2.93Å; E331-R334 IonicContact OE1-NH2 3.08Å; E331-R334 PolarHBondContact OE1-NH2 3.2Å; E331-R334 IonicContact OE2-NH2 3.31Å; P332-R334 PolarHBondContact O-N 2.85Å; R334-R336 PolarHBondContact O-N 2.91Å; R334-R336 VanDerWaalsContact O-N 3.15Å
335P54.8Low60.6Low50 Ų50106.3 Ų106.333%0.32557%0.565SS.*  trans-53.9124.8-178.716.4-29.5000110.9K337 F347 M348P335-K337 PolarHBondContact O-N 3.24Å; P335-F347 HydrophobicContact CB-CB 4.17Å; P335-F347 HydrophobicContact CB-CD1 4.15Å; P335-F347 HydrophobicContact CG-CD1 4.03Å; P335-M348 CarbonylContact C-O 3.58Å; P335-M348 WeakPolarHBondContact CA-O 3.49Å
336R55.4Low59.7Low194 Ų194110.3 Ų110.373%0.73257%0.568SS**EExtended strand (participates in β ladder)trans-68.6105.1-175.9-171.5175.2-170146.26.8108.6R334 Q338 M348R334-R336 PolarHBondContact O-N 2.91Å; R334-R336 VanDerWaalsContact O-N 3.15Å; R336-Q338 PolarHBondContact O-N 2.82Å; R336-M348 PolarHBondContact N-O 3.16Å; R336-M348 PolarHBondContact O-N 3.46Å
337K57.5Low58.5Low135 Ų135109.9 Ų109.959%0.58756%0.56SS**EExtended strand (participates in β ladder)trans-67112.1175.6-56.6-167.3-173.9-163.50109.6P335 V345 F347P335-K337 PolarHBondContact O-N 3.24Å; K337-V345 HydrophobicContact CB-CG1 3.99Å; K337-V345 HydrophobicContact CD-CG1 4.14Å; K337-V345 HydrophobicContact CG-CG1 4.21Å; K337-F347 HydrophobicContact CD-CE1 4.08Å; K337-F347 HydrophobicContact CD-CZ 4.39Å; K337-F347 HydrophobicContact CG-CD1 4.14Å; K337-F347 HydrophobicContact CG-CE1 4.04Å
338Q57.5Low57.5Low110 Ų110111.5 Ų111.551%0.51456%0.555SS.*EExtended strand (participates in β ladder)trans-99.3110.9165.5-179.7178.85.100107.6R336 R346R336-Q338 PolarHBondContact O-N 2.82Å; Q338-R346 PolarHBondContact N-O 3Å; Q338-R346 PolarHBondContact O-N 3.27Å
339L48.8Very low56.1Low121 Ų121113.6 Ų113.663%0.63456%0.564SS**EExtended strand (participates in β ladder)trans-77.9132.5168-73.376.6000108.1V345L339-V345 HydrophobicContact CG-CG2 4.34Å
340S56.3Low55Low37 Ų37112.9 Ų112.926%0.25956%0.561SS.*  trans-78.1168.6163.479.60000110.9E342 G343 N344S340-E342 PolarHBondContact O-N 3.02Å; S340-E342 PolarHBondContact OG-N 3.13Å; S340-G343 PolarHBondContact O-N 2.92Å; S340-N344 PolarHBondContact N-O 3.15Å; S340-N344 PolarHBondContact OG-N 3.14Å
341S49.8Very low54.4Low128 Ų128114.4 Ų114.490%0.89557%0.569SS**THydrogen-bonded Turntrans-59.8-17.9170.644.10000114
342E66.4Low54.2Low157 Ų157112.3 Ų112.373%0.73456%0.556SS**THydrogen-bonded Turntrans-97.210.3-179.1-57.1168.1155.200112.2S340 N344S340-E342 PolarHBondContact O-N 3.02Å; S340-E342 PolarHBondContact OG-N 3.13Å; E342-N344 PolarHBondContact O-N 3.42Å
343G60.9Low53.5Low52 Ų52113.4 Ų113.454%0.53656%0.555SS.*SBendtrans78.6-9.6-177.900000115.2S340 V345S340-G343 PolarHBondContact O-N 2.92Å; G343-V345 PolarHBondContact O-N 2.96Å
344N53.7Low53Low104 Ų104117.4 Ų117.456%0.55656%0.563SS**  trans-64.2122.9177.6-87.7-50000111.7S340 E342 R346S340-N344 PolarHBondContact N-O 3.15Å; S340-N344 PolarHBondContact OG-N 3.14Å; E342-N344 PolarHBondContact O-N 3.42Å; N344-R346 PolarHBondContact O-N 3.13Å
345V53.2Low53.1Low65 Ų65112.1 Ų112.139%0.39455%0.548SS..EExtended strand (participates in β ladder)trans-91.5102.9-178.8-172.50000110.1K337 L339 G343 F347K337-V345 HydrophobicContact CB-CG1 3.99Å; K337-V345 HydrophobicContact CD-CG1 4.14Å; K337-V345 HydrophobicContact CG-CG1 4.21Å; L339-V345 HydrophobicContact CG-CG2 4.34Å; G343-V345 PolarHBondContact O-N 2.96Å; V345-F347 HydrophobicContact CB-CE2 4.1Å; V345-F347 HydrophobicContact CG1-CD2 4.04Å; V345-F347 HydrophobicContact CG1-CE2 3.63Å; V345-F347 HydrophobicContact CG1-CZ 4.03Å; V345-F347 WeakPolarHBondContact O-CD2 3.33Å
346R57.1Low52.8Low179 Ų179114 Ų11468%0.67555%0.552SS**EExtended strand (participates in β ladder)trans-84.2128.6169.2-66.4-174.4179.3177.31.2109.7Q338 N344Q338-R346 PolarHBondContact N-O 3Å; Q338-R346 PolarHBondContact O-N 3.27Å; N344-R346 PolarHBondContact O-N 3.13Å
347F49.6Very low52.7Low121 Ų121107.5 Ų107.553%0.53153%0.531SS..EExtended strand (participates in β ladder)trans-99.4106.1178.5-71.2-105.5000109.1P335 K337 V345P335-F347 HydrophobicContact CB-CB 4.17Å; P335-F347 HydrophobicContact CB-CD1 4.15Å; P335-F347 HydrophobicContact CG-CD1 4.03Å; K337-F347 HydrophobicContact CD-CE1 4.08Å; K337-F347 HydrophobicContact CD-CZ 4.39Å; K337-F347 HydrophobicContact CG-CD1 4.14Å; K337-F347 HydrophobicContact CG-CE1 4.04Å; V345-F347 HydrophobicContact CB-CE2 4.1Å; V345-F347 HydrophobicContact CG1-CD2 4.04Å; V345-F347 HydrophobicContact CG1-CE2 3.63Å; V345-F347 HydrophobicContact CG1-CZ 4.03Å; V345-F347 WeakPolarHBondContact O-CD2 3.33Å
348M48.8Very low52.6Low86 Ų86104.9 Ų104.942%0.42452%0.521SS..EExtended strand (participates in β ladder)trans-93.1114.3172.8-67.5-175.674.800110.1P335 R336 V351P335-M348 CarbonylContact C-O 3.58Å; P335-M348 WeakPolarHBondContact CA-O 3.49Å; R336-M348 PolarHBondContact N-O 3.16Å; R336-M348 PolarHBondContact O-N 3.46Å; M348-V351 HydrophobicContact CE-CG2 4Å
349N49.4Very low52.1Low115 Ų115104.2 Ų104.262%0.61552%0.518SS*.  trans-58.6152.5157.6-78.2-7.9000109.2V351N349-V351 PolarHBondContact O-N 3.07Å
350R48.1Very low52.1Low169 Ų169107.9 Ų107.964%0.63852%0.523SS*.  trans-68.391.5-172.2-179.5-176.2172.1179.7-0.5111.6D333 R352D333-R350 WeakPolarHBondContact OD2-CD 3.33Å; D333-R350 IonicContact OD2-CZ 2.63Å; D333-R350 IonicContact OD2-NE 3.6Å; D333-R350 IonicContact OD2-NH1 2.76Å; D333-R350 PolarHBondContact OD2-NH1 3.03Å; R350-R352 PolarHBondContact O-N 3.03Å; R350-R352 VanDerWaalsContact O-N 3.15Å
351V54.4Low51.9Low68 Ų68112.1 Ų112.141%0.41254%0.539SS..  trans-56.2116.6168.1-167.60000108.3M348 N349 D355 F356M348-V351 HydrophobicContact CE-CG2 4Å; N349-V351 PolarHBondContact O-N 3.07Å; V351-D355 WeakPolarHBondContact CA-OD2 3.33Å; V351-D355 HydrophobicContact CG1-CB 3.93Å; V351-F356 HydrophobicContact CB-CE2 4.46Å; V351-F356 HydrophobicContact CG1-CD2 3.57Å; V351-F356 HydrophobicContact CG1-CE2 3.77Å; V351-F356 HydrophobicContact CG1-CG 4.49Å
352R55.6Low51.9Low80 Ų80110.8 Ų110.830%0.30252%0.519SS..  trans-80.7157.8174.9-62.9174.1161.9-166.8-8.8108.9C312 P313 R350 W354 D355 F356C312-R352 PolarHBondContact O-NH1 3.23Å; C312-R352 PolarHBondContact O-NH2 2.81Å; C312-R352 VanDerWaalsContact O-NH2 3.13Å; P313-R352 PolarHBondContact O-NH1 3.05Å; R350-R352 PolarHBondContact O-N 3.03Å; R350-R352 VanDerWaalsContact O-N 3.15Å; R352-W354 PolarHBondContact O-N 2.83Å; R352-D355 PolarHBondContact N-OD2 3.43Å; R352-D355 WeakPolarHBondContact O-CB 3.5Å; R352-D355 PolarHBondContact O-N 3.24Å; R352-D355 VanDerWaalsContact O-N 3.16Å; R352-F356 PolarHBondContact O-N 3.26Å
353L43.4Very low51.1Low134 Ų134110.8 Ų110.870%0.70252%0.518SS*.Hα-helixtrans-61.9-30.1176.1-175.660.2000111.7F356 I357L353-F356 PolarHBondContact O-N 2.87Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.43Å; L353-I357 PolarHBondContact O-N 2.91Å
354W42.2Very low50.3Low178 Ų178111.7 Ų111.767%0.67452%0.521SS*.Hα-helixtrans-63.1-44.2172.7-87.9105.3000113.1R352 F356 I357 E358R352-W354 PolarHBondContact O-N 2.83Å; W354-F356 PolarHBondContact O-N 3.29Å; W354-I357 HydrophobicContact CE3-CG2 4.44Å; W354-I357 HydrophobicContact CZ3-CG2 4.39Å; W354-I357 WeakPolarHBondContact O-CA 3.48Å; W354-I357 PolarHBondContact O-N 2.92Å; W354-E358 PolarHBondContact O-N 2.78Å
355D52.7Low49.6Very low71 Ų71110.1 Ų110.138%0.3852%0.522SS..Hα-helixtrans-57.4-39.7176-41.3-14.6000110.8V351 R352 E359V351-D355 WeakPolarHBondContact CA-OD2 3.33Å; V351-D355 HydrophobicContact CG1-CB 3.93Å; R352-D355 PolarHBondContact N-OD2 3.43Å; R352-D355 WeakPolarHBondContact O-CB 3.5Å; R352-D355 PolarHBondContact O-N 3.24Å; R352-D355 VanDerWaalsContact O-N 3.16Å; D355-E359 WeakPolarHBondContact O-CB 3.27Å; D355-E359 PolarHBondContact O-N 3.11Å
356F48.6Very low49Very low90 Ų90111.4 Ų111.440%0.39553%0.532SS..Hα-helixtrans-71.3-25.5174.8-104.5-65000114.4V351 R352 L353 W354 R360V351-F356 HydrophobicContact CB-CE2 4.46Å; V351-F356 HydrophobicContact CG1-CD2 3.57Å; V351-F356 HydrophobicContact CG1-CE2 3.77Å; V351-F356 HydrophobicContact CG1-CG 4.49Å; R352-F356 PolarHBondContact O-N 3.26Å; L353-F356 PolarHBondContact O-N 2.87Å; W354-F356 PolarHBondContact O-N 3.29Å; F356-R360 WeakPolarHBondContact O-CB 3.27Å; F356-R360 PolarHBondContact O-N 3.18Å; F356-R360 VanDerWaalsContact O-N 3.13Å
357I53.6Low48.5Very low58 Ų58106.8 Ų106.830%0.29753%0.531SS..Hα-helixtrans-79.1-49.1175.2-71.2163.8000109.1L353 W354 E359 R360 E361L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.43Å; L353-I357 PolarHBondContact O-N 2.91Å; W354-I357 HydrophobicContact CE3-CG2 4.44Å; W354-I357 HydrophobicContact CZ3-CG2 4.39Å; W354-I357 WeakPolarHBondContact O-CA 3.48Å; W354-I357 PolarHBondContact O-N 2.92Å; I357-E359 VanDerWaalsContact C-N 3.32Å; I357-E359 PolarHBondContact O-N 3.4Å; I357-R360 PolarHBondContact O-N 3.35Å; I357-R360 VanDerWaalsContact O-N 3.14Å; I357-E361 HydrophobicContact CG2-CG 4.42Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.33Å; I357-E361 WeakPolarHBondContact O-CB 3.11Å; I357-E361 WeakPolarHBondContact O-CG 3.48Å; I357-E361 PolarHBondContact O-N 3.09Å
358E53.7Low48.3Very low79 Ų79105.7 Ų105.737%0.36953%0.531SS..Hα-helixtrans-56.6-44.6173.3-76.6-167.8-149.500111.6N257 W354 E361 Q362N257-E358 PolarHBondContact ND2-OE2 2.97Å; W354-E358 PolarHBondContact O-N 2.78Å; E358-E361 PolarHBondContact O-N 3.19Å; E358-Q362 VanDerWaalsContact C-NE2 3.28Å; E358-Q362 WeakPolarHBondContact O-CB 3.32Å; E358-Q362 VanDerWaalsContact O-CG 3.28Å; E358-Q362 WeakPolarHBondContact O-CG 3.31Å; E358-Q362 PolarHBondContact O-N 2.88Å; E358-Q362 PolarHBondContact O-NE2 3.22Å
359E48.1Very low48.3Very low97 Ų97107.8 Ų107.845%0.45354%0.544SS..Hα-helixtrans-64.4-40.8176.8-177.7176.6-112.100111.6D355 I357 H363D355-E359 WeakPolarHBondContact O-CB 3.27Å; D355-E359 PolarHBondContact O-N 3.11Å; I357-E359 VanDerWaalsContact C-N 3.32Å; I357-E359 PolarHBondContact O-N 3.4Å; E359-H363 WeakPolarHBondContact O-CB 3.44Å; E359-H363 PolarHBondContact O-CD2 3.29Å; E359-H363 VanDerWaalsContact O-CD2 3.25Å; E359-H363 PolarHBondContact O-N 2.81Å
360R48.9Very low48.2Very low198 Ų198107.9 Ų107.975%0.74754%0.544SS*.Hα-helixtrans-67.9-39.3176.4-178.5176.7177.3-172.5-2.8112.4F356 I357 H363 A364F356-R360 WeakPolarHBondContact O-CB 3.27Å; F356-R360 PolarHBondContact O-N 3.18Å; F356-R360 VanDerWaalsContact O-N 3.13Å; I357-R360 PolarHBondContact O-N 3.35Å; I357-R360 VanDerWaalsContact O-N 3.14Å; R360-H363 CarbonylContact O-C 3.54Å; R360-H363 PolarHBondContact O-N 3.32Å; R360-A364 WeakPolarHBondContact O-CB 3.4Å; R360-A364 PolarHBondContact O-N 3.13Å
361E51.8Low48.4Very low126 Ų126104.4 Ų104.459%0.58954%0.538SS*.Hα-helixtrans-68.3-40178-73.2170.217500110.8I357 E358 H363 A364 A365I357-E361 HydrophobicContact CG2-CG 4.42Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.33Å; I357-E361 WeakPolarHBondContact O-CB 3.11Å; I357-E361 WeakPolarHBondContact O-CG 3.48Å; I357-E361 PolarHBondContact O-N 3.09Å; E358-E361 PolarHBondContact O-N 3.19Å; E361-H363 VanDerWaalsContact C-N 3.31Å; E361-H363 PolarHBondContact O-N 3.3Å; E361-A364 PolarHBondContact O-N 3.48Å; E361-A365 PolarHBondContact O-N 3.43Å
362Q50.4Low48.3Very low100 Ų100106.2 Ų106.247%0.46754%0.544SS..Hα-helixtrans-61-35.1170.4-7716582.200113.2E358E358-Q362 VanDerWaalsContact C-NE2 3.28Å; E358-Q362 WeakPolarHBondContact O-CB 3.32Å; E358-Q362 VanDerWaalsContact O-CG 3.28Å; E358-Q362 WeakPolarHBondContact O-CG 3.31Å; E358-Q362 PolarHBondContact O-N 2.88Å; E358-Q362 PolarHBondContact O-NE2 3.22Å
363H48.6Very low48.4Very low157 Ų157106.6 Ų106.673%0.72756%0.556SS**THydrogen-bonded Turntrans-89.4-4175.7-78.7-63.8000114.8E359 R360 E361E359-H363 WeakPolarHBondContact O-CB 3.44Å; E359-H363 PolarHBondContact O-CD2 3.29Å; E359-H363 VanDerWaalsContact O-CD2 3.25Å; E359-H363 PolarHBondContact O-N 2.81Å; R360-H363 CarbonylContact O-C 3.54Å; R360-H363 PolarHBondContact O-N 3.32Å; E361-H363 VanDerWaalsContact C-N 3.31Å; E361-H363 PolarHBondContact O-N 3.3Å
364A43.9Very low49.1Very low71 Ų71107.1 Ų107.159%0.58756%0.555SS**THydrogen-bonded Turntrans-98.7-10.8178.900000113.3R360 E361 P366R360-A364 WeakPolarHBondContact O-CB 3.4Å; R360-A364 PolarHBondContact O-N 3.13Å; E361-A364 PolarHBondContact O-N 3.48Å; A364-P366 WeakPolarHBondContact O-CD 3.16Å
365A39.4Very low49.8Very low70 Ų70104.2 Ų104.258%0.57955%0.552SS**SBendtrans-70.2117.2163.700000109.1E361E361-A365 PolarHBondContact O-N 3.43Å
366P41.3Very low50Low93 Ų93109.7 Ų109.760%0.60457%0.567SS**  trans-66.7143.6170.529.3-33.7000109.8A364 L368A364-P366 WeakPolarHBondContact O-CD 3.16Å; P366-L368 HydrophobicContact CB-CG 4.27Å; P366-L368 HydrophobicContact CG-CD1 3.89Å; P366-L368 HydrophobicContact CG-CG 4.09Å; P366-L368 PolarHBondContact O-N 3.02Å
367A44.9Very low50.8Low81 Ų81110.9 Ų110.967%0.66957%0.574SS**  trans-69.7101.1173.700000109.4
368L47.3Very low51.2Low98 Ų98113.5 Ų113.551%0.51359%0.588SS.*  trans-120.1-3.8177.7-63.4175.9000112.7P366 I372P366-L368 HydrophobicContact CB-CG 4.27Å; P366-L368 HydrophobicContact CG-CD1 3.89Å; P366-L368 HydrophobicContact CG-CG 4.09Å; P366-L368 PolarHBondContact O-N 3.02Å; L368-I372 WeakPolarHBondContact O-CD1 3.35Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.28Å
369D47.5Very low51.5Low130 Ų130117 Ų11770%0.69560%0.602SS**Hα-helixtrans-76.2-30.2177.4-81.2-48.4000112.9T373D369-T373 PolarHBondContact O-N 2.93Å; D369-T373 PolarHBondContact O-OG1 3.36Å
370D48.2Very low52.5Low118 Ų118119 Ų11963%0.63161%0.613SS**Hα-helixtrans-66.2-50.2177.7-68-49.4000110.7I372 T373 E374D370-I372 VanDerWaalsContact C-N 3.31Å; D370-I372 PolarHBondContact O-N 3.13Å; D370-T373 WeakPolarHBondContact O-CA 3.31Å; D370-T373 WeakPolarHBondContact O-CB 3.49Å; D370-T373 PolarHBondContact O-N 2.89Å; D370-E374 PolarHBondContact O-N 3.18Å
371D51.3Low53.3Low95 Ų95115.8 Ų115.851%0.50861%0.607SS.*Hα-helixtrans-55.6-42.5177.2-69-8.8000112.6T373 L375D371-T373 VanDerWaalsContact C-N 3.26Å; D371-T373 PolarHBondContact O-N 3.28Å; D371-L375 WeakPolarHBondContact O-CB 3.11Å; D371-L375 WeakPolarHBondContact O-CG 3.46Å; D371-L375 PolarHBondContact O-N 3.41Å
372I53.2Low53.3Low106 Ų106117.2 Ų117.254%0.54462%0.615SS.*Hα-helixtrans-65.4-33.2178.2-68.8169.7000110.9L368 D370 R376L368-I372 WeakPolarHBondContact O-CD1 3.35Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.28Å; D370-I372 VanDerWaalsContact C-N 3.31Å; D370-I372 PolarHBondContact O-N 3.13Å; I372-R376 WeakPolarHBondContact O-CB 3.32Å; I372-R376 PolarHBondContact O-N 3.06Å
373T58Low53.6Low88 Ų88116 Ų11654%0.5462%0.617SS.*Hα-helixtrans-74.4-45-179.7-55.20000111.1D369 D370 D371 R376 Q377D369-T373 PolarHBondContact O-N 2.93Å; D369-T373 PolarHBondContact O-OG1 3.36Å; D370-T373 WeakPolarHBondContact O-CA 3.31Å; D370-T373 WeakPolarHBondContact O-CB 3.49Å; D370-T373 PolarHBondContact O-N 2.89Å; D371-T373 VanDerWaalsContact C-N 3.26Å; D371-T373 PolarHBondContact O-N 3.28Å; T373-R376 PolarHBondContact O-N 2.91Å; T373-Q377 PolarHBondContact O-N 3.02Å; T373-Q377 VanDerWaalsContact O-N 3.15Å
374E57.2Low53.3Low145 Ų145111 Ų11168%0.67861%0.608SS**Hα-helixtrans-62.8-47.2173.7-72.5-156.9144.100112.2D370 R376 Q377 L378D370-E374 PolarHBondContact O-N 3.18Å; E374-R376 VanDerWaalsContact C-N 3.26Å; E374-R376 PolarHBondContact O-N 3.25Å; E374-Q377 PolarHBondContact O-N 2.86Å; E374-Q377 VanDerWaalsContact O-N 3.08Å; E374-L378 PolarHBondContact O-N 3.44Å
375L57.6Low53.2Low117 Ų117113.6 Ų113.661%0.61362%0.619SS**Hα-helixtrans-58.2-38.4178.9-81.8166.4000112.5D371 F379D371-L375 WeakPolarHBondContact O-CB 3.11Å; D371-L375 WeakPolarHBondContact O-CG 3.46Å; D371-L375 PolarHBondContact O-N 3.41Å; L375-F379 WeakPolarHBondContact O-CB 3.32Å; L375-F379 PolarHBondContact O-N 3.26Å
376R56.9Low53.2Low186 Ų186116.4 Ų116.470%0.70264%0.635SS**Hα-helixtrans-69.6-34.6177.6-167.8177.5-172.2-162.21.9112.4I372 T373 E374 M380I372-R376 WeakPolarHBondContact O-CB 3.32Å; I372-R376 PolarHBondContact O-N 3.06Å; T373-R376 PolarHBondContact O-N 2.91Å; E374-R376 VanDerWaalsContact C-N 3.26Å; E374-R376 PolarHBondContact O-N 3.25Å; R376-M380 PolarHBondContact O-N 3.49Å
377Q65.4Low53.1Low116 Ų116116.6 Ų116.654%0.54265%0.645SS.*Hα-helixtrans-70.8-45.1175.9-165.6163.7100110.8T373 E374 F379 M380 Q381T373-Q377 PolarHBondContact O-N 3.02Å; T373-Q377 VanDerWaalsContact O-N 3.15Å; E374-Q377 PolarHBondContact O-N 2.86Å; E374-Q377 VanDerWaalsContact O-N 3.08Å; Q377-F379 VanDerWaalsContact C-N 3.32Å; Q377-F379 PolarHBondContact O-N 2.68Å; Q377-M380 WeakPolarHBondContact O-CB 3.49Å; Q377-M380 PolarHBondContact O-N 3.32Å; Q377-M380 VanDerWaalsContact O-N 3.08Å; Q377-Q381 PolarHBondContact O-N 2.79Å; Q377-Q381 PolarHBondContact O-OE1 2.88Å; Q377-Q381 VanDerWaalsContact O-OE1 3.07Å
378L60.5Low53Low112 Ų112121.6 Ų121.659%0.58665%0.654SS**Hα-helixtrans-58.6-41.8175.5-15182000112.1E374 M380 Q381 M382E374-L378 PolarHBondContact O-N 3.44Å; L378-M380 VanDerWaalsContact C-N 3.31Å; L378-M380 PolarHBondContact O-N 3.36Å; L378-Q381 PolarHBondContact O-N 3.43Å; L378-M382 WeakPolarHBondContact O-CG 3.27Å; L378-M382 PolarHBondContact O-N 3.08Å
379F60.7Low52.6Low152 Ų152126.4 Ų126.467%0.66767%0.674SS**Hα-helixtrans-64.6-33.4176.7-167.1-94.9000112.6L375 Q377 S383L375-F379 WeakPolarHBondContact O-CB 3.32Å; L375-F379 PolarHBondContact O-N 3.26Å; Q377-F379 VanDerWaalsContact C-N 3.32Å; Q377-F379 PolarHBondContact O-N 2.68Å; F379-S383 WeakPolarHBondContact O-CB 3.33Å; F379-S383 PolarHBondContact O-N 2.74Å; F379-S383 PolarHBondContact O-OG 2.87Å
380M70Confident52.1Low139 Ų139125 Ų12569%0.68568%0.68SS**Hα-helixtrans-70.3-39.8172-82.5-175.2162.100112.6R376 Q377 L378 M382 S383R376-M380 PolarHBondContact O-N 3.49Å; Q377-M380 WeakPolarHBondContact O-CB 3.49Å; Q377-M380 PolarHBondContact O-N 3.32Å; Q377-M380 VanDerWaalsContact O-N 3.08Å; L378-M380 VanDerWaalsContact C-N 3.31Å; L378-M380 PolarHBondContact O-N 3.36Å; M380-M382 VanDerWaalsContact C-N 3.32Å; M380-M382 PolarHBondContact O-N 3.48Å; M380-S383 PolarHBondContact O-N 2.68Å
381Q64.3Low51.8Low132 Ų132128.8 Ų128.862%0.61769%0.694SS**Hα-helixtrans-60.9-39.1173.7-96.780.571.800112.5Q377 L378 S383Q377-Q381 PolarHBondContact O-N 2.79Å; Q377-Q381 PolarHBondContact O-OE1 2.88Å; Q377-Q381 VanDerWaalsContact O-OE1 3.07Å; L378-Q381 PolarHBondContact O-N 3.43Å; Q381-S383 VanDerWaalsContact C-N 3.3Å; Q381-S383 PolarHBondContact O-N 3.32Å
382M52.3Low51Low155 Ų155127.9 Ų127.976%0.76471%0.707SS**THydrogen-bonded Turntrans-81-2.3-177.5-65.8-62.4-64.800114.6L378 M380L378-M382 WeakPolarHBondContact O-CG 3.27Å; L378-M382 PolarHBondContact O-N 3.08Å; M380-M382 VanDerWaalsContact C-N 3.32Å; M380-M382 PolarHBondContact O-N 3.48Å
383S56.4Low50.9Low74 Ų74128.9 Ų128.952%0.51772%0.72SS.*THydrogen-bonded Turntrans-107.411.5-175.8-59.80000114.1F379 M380 Q381F379-S383 WeakPolarHBondContact O-CB 3.33Å; F379-S383 PolarHBondContact O-N 2.74Å; F379-S383 PolarHBondContact O-OG 2.87Å; M380-S383 PolarHBondContact O-N 2.68Å; Q381-S383 VanDerWaalsContact C-N 3.3Å; Q381-S383 PolarHBondContact O-N 3.32Å
384G42.2Very low51.2Low52 Ų52130.7 Ų130.754%0.53673%0.734SS.*SBendtrans-75.2136.3172.300000111.6
385P42.5Very low50.5Low126 Ų126131.2 Ų131.282%0.81874%0.741SS**PPolyproline II helixtrans-70.7132.3178.528.9-34000111.4A387P385-A387 PolarHBondContact O-N 3.06Å
386S39Very low50.6Low130 Ų130131.2 Ų131.291%0.90975%0.748SS**PPolyproline II helixtrans-64.4117.5169.9-56.60000110.1
387A39.3Very low50.2Low97 Ų97125.9 Ų125.980%0.80275%0.751SS**  trans-118.989.2178.200000110P385P385-A387 PolarHBondContact O-N 3.06Å
388E43Very low49Very low185 Ų185133.5 Ų133.586%0.86479%0.786SS**  trans-129.8155.5163.6-64.3-162.9135.800108.5
389E38.6Very low48.4Very low199 Ų199134.6 Ų134.693%0.9380%0.796SS**  trans68.3134.3-170-51.1-170156.800115.2
390A38Very low47.8Very low101 Ų101133.6 Ų133.684%0.83580%0.803SS**  cis-157.9175-1500000110.1
391E41Very low46.6Very low198 Ų198133.3 Ų133.393%0.92581%0.81SS**  trans-87.8137.2-170.1-64.4-168126.500117.3
392G34.7Very low45.5Very low75 Ų75133.4 Ų133.477%0.77382%0.821SS**  trans70.7-179.9144.300000119.3
393P51.4Low45.1Very low127 Ų127132.1 Ų132.183%0.82583%0.825SS**  cis-115.1-179.4-11.741.7-29000112.5
394P65.4Low44.3Very low126 Ų126135.9 Ų135.982%0.81885%0.845SS**  trans-93.6165.2-172.737.1-36.1000115.1
395N40.7Very low44.5Very low157 Ų157141.9 Ų141.984%0.8487%0.867SS**  trans-148.1142.7163.9-159.440.3000110.3
396P60.2Low44.6Very low117 Ų117143.2 Ų143.276%0.7687%0.871SS**  trans-102.5165.9-17538.6-33.2000114.4
397G48.6Very low45.1Very low73 Ų73144.3 Ų144.375%0.75387%0.868SS**  trans113.6135.7-175.200000110.4
398E40.4Very low45.6Very low276 Ų276148.5 Ų148.5100%1.2987%0.874SS**  cis-118.804.9-67.5173.897.100112.2

Retrieved 398 of 398 residues in 409.6 ms (Link to these results)

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