A0A087Y4V8_POEFO Loading...

PRKCA-binding protein

Probable adapter protein that bind to and organize the subcellular localization of a variety of membrane proteins containing some PDZ recognition sequence. Involved in the clustering of various receptors, possibly by acting at the receptor internalization level. Plays a role in synaptic plasticity by regulating the trafficking and internalization of AMPA receptors. May be regulated upon PRKCA activation. May regulate ASIC1/ASIC3 channel. Regulates actin polymerization by inhibiting the actin-nucleating activity of the Arp2/3 complex; the function is competitive with nucleation promoting factors and is linked to neuronal morphology regulation and AMPA receptor (AMPAR) endocytosis. Via interaction with the Arp2/3 complex involved in regulation of synaptic plasicity of excitatory synapses and required for spine shrinkage during long-term depression (LTD). Involved in regulation of astrocyte morphology, antagonistic to Arp2/3 complex activator WASL/N-WASP function.

AlphaFold DB (A0A3B3UMK0), UniProt , Accession A0A087Y4V8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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
1M32.9Very low51.5Low237 Ų237152.1 Ų152.1100%1.16774%0.74SS**  084.60-87.1176.816600107.5
2F33.2Very low54.5Low207 Ų207144.3 Ų144.391%0.90870%0.704SS**  trans-96.8103.1157.3-74.2-83.1000103.5D4F2-D4 PolarHBondContact O-N 2.94Å
3T36.7Very low56.9Low121 Ų121140.5 Ų140.574%0.74268%0.682SS**  trans-59.2120.6167.437.40000107.3M5T3-M5 PolarHBondContact O-N 3.04Å
4D39.9Very low58.8Low147 Ų147137.1 Ų137.179%0.78667%0.668SS**  trans-47.9106.2165.8-65.9-49.8000108F2 D6F2-D4 PolarHBondContact O-N 2.94Å; D4-D6 PolarHBondContact O-N 3.04Å
5M37.1Very low60.5Low130 Ų130132.8 Ų132.864%0.6467%0.673SS**  trans-75.789.2167.6-65.1-139.8-49.600105.8T3 Y7T3-M5 PolarHBondContact O-N 3.04Å; M5-Y7 HydrophobicContact CB-CD2 4.13Å; M5-Y7 HydrophobicContact CB-CE2 4.01Å; M5-Y7 HydrophobicContact CE-CE2 3.43Å; M5-Y7 VanDerWaalsContact CE-CE2 3.43Å; M5-Y7 VanDerWaalsContact CE-CZ 3.47Å; M5-Y7 WeakPolarHBondContact CE-OH 3.09Å; M5-Y7 WeakPolarHBondContact O-CD2 3.44Å; M5-Y7 PolarHBondContact O-N 3.21Å
6D45.5Very low62.2Low146 Ų146124.8 Ų124.878%0.78163%0.633SS**  trans-6082166.5-76.4-28.3000108.1D4 E8D4-D6 PolarHBondContact O-N 3.04Å; D6-E8 PolarHBondContact O-N 3.26Å
7Y48.5Very low63.9Low181 Ų181122.1 Ų122.171%0.7163%0.626SS**  trans-66.290.4162-76.5-83.6000106.3M5 L9M5-Y7 HydrophobicContact CB-CD2 4.13Å; M5-Y7 HydrophobicContact CB-CE2 4.01Å; M5-Y7 HydrophobicContact CE-CE2 3.43Å; M5-Y7 VanDerWaalsContact CE-CE2 3.43Å; M5-Y7 VanDerWaalsContact CE-CZ 3.47Å; M5-Y7 WeakPolarHBondContact CE-OH 3.09Å; M5-Y7 WeakPolarHBondContact O-CD2 3.44Å; M5-Y7 PolarHBondContact O-N 3.21Å; Y7-L9 VanDerWaalsContact C-N 3.29Å; Y7-L9 PolarHBondContact O-N 3.29Å
8E59.2Low65.4Low178 Ų178117.4 Ų117.483%0.83260%0.604SS**  trans-57.699.6163.3-76.9-169.1158.100107D6 E10D6-E8 PolarHBondContact O-N 3.26Å; E8-E10 PolarHBondContact O-N 2.86Å
9L68.6Low67Low90 Ų90114.9 Ų114.947%0.47160%0.595SS.*PPolyproline II helixtrans-59.6126.7175.4-71.4167.7000108.3Y7 T289Y7-L9 VanDerWaalsContact C-N 3.29Å; Y7-L9 PolarHBondContact O-N 3.29Å; L9-T289 HydrophobicContact CB-CG2 4.03Å; L9-T289 HydrophobicContact CD1-CG2 4.48Å
10E80.6Confident68.5Low179 Ų179114.2 Ų114.284%0.83660%0.597SS**PPolyproline II helixtrans-62.4143.7176-164.7173.4-173.900110E8 D12E8-E10 PolarHBondContact O-N 2.86Å; E10-D12 PolarHBondContact O-N 2.91Å
11E84.6Confident69.8Low57 Ų57109.7 Ų109.727%0.26658%0.579SS.*PPolyproline II helixtrans-61.2123.5177.6-73.7178-147.100111K13 P45 T289 Y292E11-K13 HydrophobicContact CB-CG 4.31Å; E11-K13 PolarHBondContact O-N 2.77Å; E11-K13 WeakPolarHBondContact OE2-CE 3.49Å; E11-P45 HydrophobicContact CG-CG 4.46Å; E11-T289 WeakPolarHBondContact CA-O 3.42Å; E11-Y292 HydrophobicContact CB-CE2 4.35Å; E11-Y292 PolarHBondContact OE2-OH 3.34Å
12D87.4Confident72.9Confident58 Ų58102.1 Ų102.131%0.3155%0.546SS..  trans-8792.2172-178.24.8000108.7E10 L14 T289 Y292E10-D12 PolarHBondContact O-N 2.91Å; D12-L14 PolarHBondContact O-N 3.32Å; D12-L14 WeakPolarHBondContact OD1-CD2 3.45Å; D12-L14 PolarHBondContact OD1-N 3.01Å; D12-L14 WeakPolarHBondContact OD2-CD2 3.42Å; D12-T289 HydrophobicContact CB-CG2 4.48Å; D12-T289 PolarHBondContact N-O 2.97Å; D12-Y292 WeakPolarHBondContact O-CD2 3.46Å
13K85.6Confident75.9Confident96 Ų9692.7 Ų92.742%0.41751%0.505SS..  trans-74.4-6.7-178.5-54.9-170.8178.3174.90113.2E11 G15 I16 Y292E11-K13 HydrophobicContact CB-CG 4.31Å; E11-K13 PolarHBondContact O-N 2.77Å; E11-K13 WeakPolarHBondContact OE2-CE 3.49Å; K13-G15 PolarHBondContact O-N 3Å; K13-I16 WeakPolarHBondContact O-CB 3.17Å; K13-I16 PolarHBondContact O-N 3Å; K13-Y292 HydrophobicContact CB-CD1 4.34Å; K13-Y292 HydrophobicContact CB-CE1 4.07Å; K13-Y292 HydrophobicContact CB-CE2 4.41Å; K13-Y292 HydrophobicContact CG-CE1 4.13Å; K13-Y292 HydrophobicContact CG-CE2 3.96Å
14L83.9Confident78.8Confident92 Ų9290.3 Ų90.348%0.48249%0.491SS..THydrogen-bonded Turntrans51.627.6-174.7-61.4173.2000113.8D12 I16 E293D12-L14 PolarHBondContact O-N 3.32Å; D12-L14 WeakPolarHBondContact OD1-CD2 3.45Å; D12-L14 PolarHBondContact OD1-N 3.01Å; D12-L14 WeakPolarHBondContact OD2-CD2 3.42Å; L14-I16 HydrophobicContact CB-CD1 4.49Å; L14-I16 HydrophobicContact CB-CG1 4.42Å; L14-I16 PolarHBondContact O-N 2.82Å; L14-E293 HydrophobicContact CD1-CB 3.95Å
15G84.2Confident81.6Confident73 Ų7383.5 Ų83.575%0.75345%0.454SS*.THydrogen-bonded Turntrans69.611.4-174.900000115.1K13 P17K13-G15 PolarHBondContact O-N 3Å; G15-P17 WeakPolarHBondContact O-CD 3.36Å
16I87.6Confident84.4Confident4 Ų484.7 Ų84.72%0.02146%0.456CS..  trans-84.1115.9178.1-52.3175.2000108.9K13 L14 L104 Q105 L296K13-I16 WeakPolarHBondContact O-CB 3.17Å; K13-I16 PolarHBondContact O-N 3Å; L14-I16 HydrophobicContact CB-CD1 4.49Å; L14-I16 HydrophobicContact CB-CG1 4.42Å; L14-I16 PolarHBondContact O-N 2.82Å; I16-L104 HydrophobicContact CB-CD1 4.25Å; I16-L104 HydrophobicContact CG2-CD1 3.53Å; I16-L104 HydrophobicContact CG2-CG 3.93Å; I16-Q105 WeakPolarHBondContact CG2-O 3.35Å; I16-L296 HydrophobicContact CD1-CB 4.12Å; I16-L296 HydrophobicContact CD1-CD2 4.22Å
17P90.1Very high86.7Confident80 Ų8078.7 Ų78.752%0.51942%0.423SS..  trans-71.1153.9-179.820.5-19000111.3G15 Q105G15-P17 WeakPolarHBondContact O-CD 3.36Å; P17-Q105 HydrophobicContact CB-CB 4.41Å; P17-Q105 HydrophobicContact CG-CB 3.84Å; P17-Q105 VanDerWaalsContact O-CB 3.29Å; P17-Q105 WeakPolarHBondContact O-CB 3.29Å; P17-Q105 PolarHBondContact O-N 3.31Å
18T92.3Very high88.8Confident37 Ų3772.4 Ų72.423%0.22740%0.401CS..EExtended strand (participates in β ladder)trans-123.4145.5171.358.90000111.2K103 L104 Y292T18-K103 CarbonylContact C-O 3.58Å; T18-K103 WeakPolarHBondContact CA-O 3.4Å; T18-L104 HydrophobicContact CG2-CD1 4.24Å; T18-Y292 HydrophobicContact CG2-CE1 4.21Å
19V95.3Very high90.3Very high71 Ų7169.1 Ų69.143%0.4341%0.405SS..EExtended strand (participates in β ladder)trans-117.3118.7178.1178.70000108.8K103 Q105V19-K103 HydrophobicContact CB-CB 4.31Å; V19-K103 PolarHBondContact N-O 2.87Å; V19-K103 WeakPolarHBondContact O-CB 3.35Å; V19-K103 PolarHBondContact O-N 2.86Å; V19-Q105 HydrophobicContact CG2-CG 3.86Å
20P96.3Very high91.3Very high100 Ų10070.8 Ų70.865%0.64941%0.414SS*.EExtended strand (participates in β ladder)trans-67.7143.5177.428.4-33.9000110.6Y101P20-Y101 CarbonylContact C-O 3.57Å; P20-Y101 WeakPolarHBondContact CA-O 3.41Å
21G96.6Very high91.9Very high20 Ų2064.5 Ų64.521%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-155.8172179.500000112.2Y101G21-Y101 PolarHBondContact N-O 3.09Å; G21-Y101 PolarHBondContact O-N 2.91Å
22T97.3Very high92.3Very high77 Ų7765.5 Ų65.547%0.47239%0.393SS..EExtended strand (participates in β ladder)trans-141.9139.1175.7-58.90000108.7V98 I99 H100T22-V98 HydrophobicContact CG2-CG1 3.37Å; T22-I99 WeakPolarHBondContact CA-O 3.15Å; T22-H100 PolarHBondContact OG1-ND1 2.96Å
23V97.6Very high92.6Very high10 Ų1063 Ų636%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-135.2140.417763.50000109.8L25 D61 T63 L64 V98 I99 Y101V23-L25 HydrophobicContact CG1-CD1 4.46Å; V23-L25 HydrophobicContact CG1-CG 4.28Å; V23-L25 HydrophobicContact CG2-CD2 3.8Å; V23-L25 HydrophobicContact CG2-CG 4.12Å; V23-D61 WeakPolarHBondContact CG2-OD1 3.38Å; V23-T63 HydrophobicContact CB-CG2 4.08Å; V23-T63 HydrophobicContact CG2-CG2 4.27Å; V23-L64 HydrophobicContact CG1-CD1 4.2Å; V23-L64 HydrophobicContact CG1-CD2 3.86Å; V23-L64 HydrophobicContact CG1-CG 3.92Å; V23-V98 CarbonylContact O-C 3.51Å; V23-V98 WeakPolarHBondContact O-CA 3.24Å; V23-I99 HydrophobicContact CG1-CB 4.04Å; V23-I99 PolarHBondContact N-O 3.29Å; V23-I99 PolarHBondContact O-N 3.23Å; V23-Y101 HydrophobicContact CB-CE1 3.98Å; V23-Y101 HydrophobicContact CG1-CD1 4.08Å; V23-Y101 HydrophobicContact CG1-CE1 3.87Å
24T97.7Very high93.1Very high71 Ų7159 Ų5944%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-105.2116173.6-57.80000108.5E96 V98T24-E96 HydrophobicContact CG2-CB 3.92Å; T24-E96 HydrophobicContact CG2-CG 4.44Å; T24-V98 HydrophobicContact CG2-CG2 4.22Å
25L96.8Very high93.7Very high3 Ų355.8 Ų55.82%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-110.3122.6-178.4-63175.7000110.1V23 K27 I33 A58 D61 L64 E96 A97V23-L25 HydrophobicContact CG1-CD1 4.46Å; V23-L25 HydrophobicContact CG1-CG 4.28Å; V23-L25 HydrophobicContact CG2-CD2 3.8Å; V23-L25 HydrophobicContact CG2-CG 4.12Å; L25-K27 PolarHBondContact O-N 3.06Å; L25-I33 HydrophobicContact CB-CG2 4.17Å; L25-I33 HydrophobicContact CD1-CB 4.21Å; L25-I33 HydrophobicContact CD1-CD1 4.37Å; L25-A58 HydrophobicContact CD1-CB 3.96Å; L25-D61 HydrophobicContact CD2-CB 3.52Å; L25-L64 HydrophobicContact CD1-CD1 3.79Å; L25-E96 WeakPolarHBondContact O-CA 3.39Å; L25-A97 PolarHBondContact N-O 3.15Å; L25-A97 PolarHBondContact O-N 3.22Å
26K96.3Very high94.4Very high156 Ų15653.8 Ų53.868%0.67832%0.323SS*.EExtended strand (participates in β ladder)trans-73.3123.8169.2-174.8176.2-179.9177.10109.5P57 E96K26-P57 WeakPolarHBondContact O-CB 3.36Å; K26-P57 WeakPolarHBondContact O-CG 3.4Å; K26-E96 HydrophobicContact CB-CG 4.28Å; K26-E96 HydrophobicContact CG-CG 4.47Å
27K94.1Very high94.8Very high19 Ų1955 Ų558%0.08333%0.329CS..  trans-69.4154.3-177.9-66.8-177.8165-159.30112.5L25 N31 L32 I33 I90 Q91 V93 G95L25-K27 PolarHBondContact O-N 3.06Å; K27-N31 WeakPolarHBondContact CD-OD1 3.46Å; K27-N31 PolarHBondContact NZ-O 3.24Å; K27-N31 PolarHBondContact NZ-OD1 3.41Å; K27-L32 WeakPolarHBondContact CA-O 3.29Å; K27-I33 HydrophobicContact CG-CG2 3.82Å; K27-I90 VanDerWaalsContact CE-O 3.27Å; K27-I90 WeakPolarHBondContact CE-O 3.49Å; K27-I90 PolarHBondContact NZ-O 3Å; K27-Q91 PolarHBondContact NZ-O 3.02Å; K27-V93 WeakPolarHBondContact CE-O 3.47Å; K27-V93 PolarHBondContact NZ-O 3Å; K27-G95 WeakPolarHBondContact CB-O 3.44Å; K27-G95 WeakPolarHBondContact CG-O 3.41Å; K27-G95 PolarHBondContact N-O 2.77Å
28D92.8Very high95Very high49 Ų4951.6 Ų51.626%0.26231%0.309SS..  trans-75.2179.417471.311.2000112.4N30 N31 L32 P57D28-N30 PolarHBondContact O-N 3.15Å; D28-N30 VanDerWaalsContact O-N 3.12Å; D28-N30 VanDerWaalsContact OD1-C 3.28Å; D28-N30 VanDerWaalsContact OD1-CA 3.3Å; D28-N30 WeakPolarHBondContact OD1-CA 3.33Å; D28-N30 WeakPolarHBondContact OD1-CB 3.4Å; D28-N30 PolarHBondContact OD1-N 3.27Å; D28-N31 PolarHBondContact O-N 3.15Å; D28-N31 PolarHBondContact OD1-N 3.02Å; D28-N31 VanDerWaalsContact OD1-N 3.11Å; D28-L32 PolarHBondContact N-O 3.48Å; D28-L32 PolarHBondContact OD1-N 2.88Å; D28-P57 HydrophobicContact CB-CG 4.03Å
29A90.6Very high95.1Very high110 Ų11050.5 Ų50.591%0.90930%0.304SS*.THydrogen-bonded Turntrans-60.2-20.2178.200000113.7
30N90.6Very high94.9Very high125 Ų12547.3 Ų47.367%0.66829%0.286SS*.THydrogen-bonded Turntrans-95.210.5177.8-61.3-42.1000112.4D28 L32D28-N30 PolarHBondContact O-N 3.15Å; D28-N30 VanDerWaalsContact O-N 3.12Å; D28-N30 VanDerWaalsContact OD1-C 3.28Å; D28-N30 VanDerWaalsContact OD1-CA 3.3Å; D28-N30 WeakPolarHBondContact OD1-CA 3.33Å; D28-N30 WeakPolarHBondContact OD1-CB 3.4Å; D28-N30 PolarHBondContact OD1-N 3.27Å; N30-L32 HydrophobicContact CB-CD1 4.21Å; N30-L32 HydrophobicContact CB-CG 4.18Å; N30-L32 PolarHBondContact O-N 3.2Å
31N91.5Very high94.6Very high47 Ų4744.5 Ų44.525%0.25127%0.271SS..SBendtrans61.829.2-177.1-170.244000113.2K27 D28 Q91 V93K27-N31 WeakPolarHBondContact CD-OD1 3.46Å; K27-N31 PolarHBondContact NZ-O 3.24Å; K27-N31 PolarHBondContact NZ-OD1 3.41Å; D28-N31 PolarHBondContact O-N 3.15Å; D28-N31 PolarHBondContact OD1-N 3.02Å; D28-N31 VanDerWaalsContact OD1-N 3.11Å; N31-Q91 PolarHBondContact ND2-O 3.09Å; N31-V93 PolarHBondContact OD1-O 2.86Å
32L93.2Very high94.2Very high78 Ų7850.8 Ų50.841%0.40830%0.295SS..  trans-110.3151.8178.6-57.8177.9000111.7K27 D28 N30K27-L32 WeakPolarHBondContact CA-O 3.29Å; D28-L32 PolarHBondContact N-O 3.48Å; D28-L32 PolarHBondContact OD1-N 2.88Å; N30-L32 HydrophobicContact CB-CD1 4.21Å; N30-L32 HydrophobicContact CB-CG 4.18Å; N30-L32 PolarHBondContact O-N 3.2Å
33I95.4Very high93.7Very high6 Ų650.8 Ų50.83%0.03129%0.287CS..  trans-99.6-17.7170.463171.4000112.8L25 K27 I35 A58 I90 A97 I99L25-I33 HydrophobicContact CB-CG2 4.17Å; L25-I33 HydrophobicContact CD1-CB 4.21Å; L25-I33 HydrophobicContact CD1-CD1 4.37Å; K27-I33 HydrophobicContact CG-CG2 3.82Å; I33-I35 HydrophobicContact CD1-CD1 3.64Å; I33-I35 HydrophobicContact CD1-CG1 3.84Å; I33-I35 HydrophobicContact CG1-CD1 4.39Å; I33-I35 HydrophobicContact CG1-CG1 4.04Å; I33-A58 WeakPolarHBondContact O-CB 3.43Å; I33-A58 PolarHBondContact O-N 2.88Å; I33-I90 HydrophobicContact CD1-CD1 4.21Å; I33-I90 HydrophobicContact CD1-CG2 3.79Å; I33-I90 HydrophobicContact CG1-CG2 4.03Å; I33-I90 HydrophobicContact CG2-CG2 4.38Å; I33-A97 HydrophobicContact CG2-CB 4.11Å; I33-I99 HydrophobicContact CD1-CD1 4.1Å; I33-I99 HydrophobicContact CD1-CG1 4.18Å
34G95.5Very high93.4Very high10 Ų1050.7 Ų50.710%0.10329%0.287CS..  trans88.438.3174.300000117.4F53 T56G34-F53 WeakPolarHBondContact O-CD2 3.41Å; G34-F53 PolarHBondContact O-N 3.1Å; G34-T56 WeakPolarHBondContact CA-OG1 3.07Å; G34-T56 PolarHBondContact O-OG1 3.3Å
35I97.1Very high93.1Very high26 Ų2649.4 Ų49.413%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-123.2152.5172.968.3178.4000111.2I33 I37 I49 Q51 V52 A58 L64 I70 I90I33-I35 HydrophobicContact CD1-CD1 3.64Å; I33-I35 HydrophobicContact CD1-CG1 3.84Å; I33-I35 HydrophobicContact CG1-CD1 4.39Å; I33-I35 HydrophobicContact CG1-CG1 4.04Å; I35-I37 HydrophobicContact CD1-CG1 4.44Å; I35-I37 HydrophobicContact CG1-CG1 4.45Å; I35-I49 HydrophobicContact CB-CG2 4.28Å; I35-I49 HydrophobicContact CD1-CD1 4.31Å; I35-I49 HydrophobicContact CD1-CG1 4.33Å; I35-I49 HydrophobicContact CG2-CG2 4.48Å; I35-Q51 CarbonylContact C-O 3.47Å; I35-Q51 WeakPolarHBondContact CA-O 3.08Å; I35-V52 HydrophobicContact CG2-CG2 4.26Å; I35-A58 HydrophobicContact CG2-CB 3.62Å; I35-L64 HydrophobicContact CG2-CD1 4.38Å; I35-I70 HydrophobicContact CD1-CD1 3.98Å; I35-I90 HydrophobicContact CD1-CD1 4.45Å
36S96.9Very high92.9Very high31 Ų3149.3 Ų49.322%0.21728%0.279CS..EExtended strand (participates in β ladder)trans-106.2146.4163.666.10000110.7I49 V50 Q51S36-I49 CarbonylContact O-C 3.53Å; S36-I49 WeakPolarHBondContact O-CA 3.43Å; S36-V50 PolarHBondContact O-N 2.89Å; S36-V50 WeakPolarHBondContact OG-CB 3.45Å; S36-Q51 PolarHBondContact N-O 3.36Å; S36-Q51 VanDerWaalsContact OG-CB 3.31Å; S36-Q51 WeakPolarHBondContact OG-CB 3.25Å; S36-Q51 PolarHBondContact OG-N 2.88Å
37I96.4Very high92.9Very high29 Ų2942 Ų4215%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-118132.5-172-53.4175000109.3I35 L47 Y48 I70 K83 V86 I90I35-I37 HydrophobicContact CD1-CG1 4.44Å; I35-I37 HydrophobicContact CG1-CG1 4.45Å; I37-L47 HydrophobicContact CG2-CB 4.38Å; I37-L47 HydrophobicContact CG2-CD2 3.73Å; I37-Y48 WeakPolarHBondContact CA-O 3.46Å; I37-I70 HydrophobicContact CD1-CD1 3.93Å; I37-I70 HydrophobicContact CG1-CD1 3.88Å; I37-I70 HydrophobicContact CG2-CD1 4.26Å; I37-K83 HydrophobicContact CG2-CB 4.2Å; I37-V86 HydrophobicContact CD1-CB 4.32Å; I37-V86 HydrophobicContact CD1-CG1 3.84Å; I37-I90 HydrophobicContact CD1-CD1 3.88Å
38G94.9Very high93Very high9 Ų941.3 Ų41.39%0.09324%0.244CC..EExtended strand (participates in β ladder)trans-118.9174173.100000111.9Y48G38-Y48 PolarHBondContact N-O 3.25Å; G38-Y48 PolarHBondContact O-N 3.5Å; G38-Y48 VanDerWaalsContact O-N 3.09Å
39G93.6Very high93.2Very high13 Ų1339 Ų3913%0.13423%0.232CC..EExtended strand (participates in β ladder)trans70.5-147.6-176.200000113.5
40G92.3Very high93.5Very high5 Ų535 Ų355%0.05220%0.196CC..BIsolated β-bridgetrans82.1176.2-17600000114.7C44 C46 K81G40-C44 CarbonylContact C-O 3.44Å; G40-C44 WeakPolarHBondContact CA-O 3.12Å; G40-C44 PolarHBondContact O-N 2.98Å; G40-C44 VanDerWaalsContact O-N 3.13Å; G40-C44 VanDerWaalsContact O-O 3.07Å; G40-C46 PolarHBondContact N-O 2.83Å; G40-K81 WeakPolarHBondContact CA-O 3.4Å
41A89.3Confident93.8Very high40 Ų4031.8 Ų31.833%0.33118%0.177SC..THydrogen-bonded Turntrans-59.9147.8-177.700000112.3G80 K81 T82A41-G80 WeakPolarHBondContact CB-O 3.42Å; A41-K81 PolarHBondContact N-O 2.97Å; A41-T82 HydrophobicContact CB-CG2 4.36Å
42Q87.7Confident94.1Very high153 Ų15330.1 Ų30.172%0.71517%0.169SC*.THydrogen-bonded Turncis-92.9-8.74.467.1-170.44.100115.1
43Y88.5Confident94.2Very high77 Ų7730.6 Ų30.630%0.30217%0.168SC..THydrogen-bonded Turntrans-97.9-22.2-167.4-56.8-64.9000114.8I278 P283 V287 S288Y43-I278 HydrophobicContact CD2-CD1 3.93Å; Y43-I278 HydrophobicContact CD2-CG1 4.17Å; Y43-I278 HydrophobicContact CD2-CG2 4.41Å; Y43-I278 HydrophobicContact CE2-CD1 4.28Å; Y43-I278 HydrophobicContact CE2-CG1 4.26Å; Y43-I278 HydrophobicContact CE2-CG2 3.7Å; Y43-I278 HydrophobicContact CG-CD1 4.47Å; Y43-I278 HydrophobicContact CG-CG1 4.46Å; Y43-P283 HydrophobicContact CD1-CB 3.78Å; Y43-P283 HydrophobicContact CD1-CG 4.05Å; Y43-P283 HydrophobicContact CE1-CB 4.5Å; Y43-P283 HydrophobicContact CG-CB 4.41Å; Y43-V287 CarbonylContact O-C 3.48Å; Y43-S288 WeakPolarHBondContact O-CA 3.21Å; Y43-S288 PolarHBondContact O-N 3.21Å
44C91.3Very high94Very high7 Ų734.8 Ų34.85%0.04719%0.19CC..  trans-126.5128.9-177-176.60000110.8G40 C46 V287G40-C44 CarbonylContact C-O 3.44Å; G40-C44 WeakPolarHBondContact CA-O 3.12Å; G40-C44 PolarHBondContact O-N 2.98Å; G40-C44 VanDerWaalsContact O-N 3.13Å; G40-C44 VanDerWaalsContact O-O 3.07Å; C44-C46 VanDerWaalsContact C-N 3.25Å; C44-C46 PolarHBondContact O-N 2.78Å; C44-C46 PolarHBondContact SG-O 2.83Å; C44-V287 WeakPolarHBondContact CA-O 3.34Å; C44-V287 HydrophobicContact CB-CG1 3.93Å; C44-V287 PolarHBondContact SG-O 2.89Å; C44-V287 VanDerWaalsContact SG-O 3.42Å
45P90.6Very high93.9Very high45 Ų4541.6 Ų41.629%0.29222%0.224SC..SBendtrans-70.3-22.7-178.127.4-34.6000113.2E11 S288E11-P45 HydrophobicContact CG-CG 4.46Å; P45-S288 VanDerWaalsContact CD-O 3.29Å; P45-S288 WeakPolarHBondContact CD-O 3.47Å
46C92.4Very high93.8Very high1 Ų141.2 Ų41.21%0.00722%0.223CC..  trans-108149.3-176.4-54.50000111.6G40 C44 E69G40-C46 PolarHBondContact N-O 2.83Å; C44-C46 VanDerWaalsContact C-N 3.25Å; C44-C46 PolarHBondContact O-N 2.78Å; C44-C46 PolarHBondContact SG-O 2.83Å; C46-E69 HydrophobicContact CB-CG 4.4Å
47L95.9Very high93.8Very high3 Ų340.7 Ų40.72%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-106.4131.5165-75.7134000108.2I37 E69 I70 V78 K81 K83 V86I37-L47 HydrophobicContact CG2-CB 4.38Å; I37-L47 HydrophobicContact CG2-CD2 3.73Å; L47-E69 CarbonylContact O-C 3.57Å; L47-E69 VanDerWaalsContact O-CA 3.25Å; L47-E69 WeakPolarHBondContact O-CA 3.48Å; L47-E69 WeakPolarHBondContact O-CG 3.41Å; L47-I70 HydrophobicContact CB-CB 4.48Å; L47-I70 PolarHBondContact O-N 3.35Å; L47-V78 HydrophobicContact CD1-CB 3.94Å; L47-V78 HydrophobicContact CD1-CG2 3.83Å; L47-V78 WeakPolarHBondContact CD1-O 3.01Å; L47-K81 HydrophobicContact CD1-CB 4.5Å; L47-K83 HydrophobicContact CD2-CB 4.18Å; L47-V86 HydrophobicContact CD1-CG2 3.57Å; L47-V86 HydrophobicContact CD2-CB 4.34Å; L47-V86 HydrophobicContact CD2-CG2 3.85Å; L47-V86 HydrophobicContact CG-CG2 4.29Å
48Y96.5Very high93.9Very high3 Ų339.4 Ų39.41%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-138.8158.8-176.652.4-96.8000112.5I37 G38 V50 D68 N291 Y294 R295 L298I37-Y48 WeakPolarHBondContact CA-O 3.46Å; G38-Y48 PolarHBondContact N-O 3.25Å; G38-Y48 PolarHBondContact O-N 3.5Å; G38-Y48 VanDerWaalsContact O-N 3.09Å; Y48-V50 HydrophobicContact CD2-CG2 4.3Å; Y48-V50 HydrophobicContact CE2-CG2 4.06Å; Y48-V50 PolarHBondContact O-N 3.17Å; Y48-D68 CarbonylContact C-O 3.55Å; Y48-D68 WeakPolarHBondContact CA-O 3.43Å; Y48-D68 VanDerWaalsContact CB-O 3.28Å; Y48-D68 WeakPolarHBondContact CB-O 3.4Å; Y48-N291 HydrophobicContact CE1-CB 4.08Å; Y48-N291 PolarHBondContact OH-ND2 3.47Å; Y48-Y294 AromaticContact CE2-CD1 3.77Å; Y48-Y294 HydrophobicContact CE2-CD1 3.77Å; Y48-Y294 AromaticContact CE2-CE1 3.82Å; Y48-Y294 HydrophobicContact CE2-CE1 3.82Å; Y48-R295 HydrophobicContact CD1-CG 3.96Å; Y48-R295 HydrophobicContact CD2-CG 3.89Å; Y48-R295 HydrophobicContact CE1-CG 4.32Å; Y48-R295 HydrophobicContact CE2-CG 4.27Å; Y48-R295 HydrophobicContact CG-CG 3.72Å; Y48-L298 HydrophobicContact CD2-CD1 4.17Å; Y48-L298 HydrophobicContact CE2-CD1 4.16Å
49I97.7Very high93.9Very high0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-77.3121.2-179.9-58.9-178.9000109I35 S36 V52 L64 A66 G67 D68 I70I35-I49 HydrophobicContact CB-CG2 4.28Å; I35-I49 HydrophobicContact CD1-CD1 4.31Å; I35-I49 HydrophobicContact CD1-CG1 4.33Å; I35-I49 HydrophobicContact CG2-CG2 4.48Å; S36-I49 CarbonylContact O-C 3.53Å; S36-I49 WeakPolarHBondContact O-CA 3.43Å; I49-V52 HydrophobicContact CG2-CG2 3.9Å; I49-L64 HydrophobicContact CD1-CB 3.78Å; I49-L64 HydrophobicContact CD1-CD1 4.01Å; I49-L64 HydrophobicContact CD1-CD2 4.13Å; I49-L64 HydrophobicContact CD1-CG 4.19Å; I49-A66 CarbonylContact O-C 3.54Å; I49-A66 WeakPolarHBondContact O-CA 3.44Å; I49-G67 PolarHBondContact O-N 3.42Å; I49-D68 HydrophobicContact CD1-CB 4.21Å; I49-D68 PolarHBondContact N-O 3.35Å; I49-I70 HydrophobicContact CG1-CD1 4.09Å; I49-I70 HydrophobicContact CG1-CG1 4.03Å
50V96.9Very high94Very high26 Ų2647 Ų4716%0.15825%0.253CS..EExtended strand (participates in β ladder)trans-85.1-38.9175.6170.90000110.9S36 Y48 L298 R301S36-V50 PolarHBondContact O-N 2.89Å; S36-V50 WeakPolarHBondContact OG-CB 3.45Å; Y48-V50 HydrophobicContact CD2-CG2 4.3Å; Y48-V50 HydrophobicContact CE2-CG2 4.06Å; Y48-V50 PolarHBondContact O-N 3.17Å; V50-L298 HydrophobicContact CB-CD1 4.44Å; V50-L298 HydrophobicContact CG1-CD2 4.17Å; V50-L298 HydrophobicContact CG2-CD1 4.31Å; V50-R301 PolarHBondContact O-NH2 3.17Å
51Q96.3Very high94.2Very high58 Ų5850.3 Ų50.327%0.27127%0.269SS..EExtended strand (participates in β ladder)trans-152.7143.7-179.8-175.6171.7-5.400110.5I35 S36 F53I35-Q51 CarbonylContact C-O 3.47Å; I35-Q51 WeakPolarHBondContact CA-O 3.08Å; S36-Q51 PolarHBondContact N-O 3.36Å; S36-Q51 VanDerWaalsContact OG-CB 3.31Å; S36-Q51 WeakPolarHBondContact OG-CB 3.25Å; S36-Q51 PolarHBondContact OG-N 2.88Å; Q51-F53 HydrophobicContact CG-CD1 4.41Å; Q51-F53 HydrophobicContact CG-CE1 4.35Å
52V96.9Very high94.5Very high13 Ų1350.8 Ų50.88%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-102.6126.9161.7-174.70000107I35 I49 A58 A59I35-V52 HydrophobicContact CG2-CG2 4.26Å; I49-V52 HydrophobicContact CG2-CG2 3.9Å; V52-A58 HydrophobicContact CG1-CB 3.88Å; V52-A59 HydrophobicContact CG1-CB 3.92Å
53F95.2Very high94.9Very high87 Ų8745.7 Ų45.738%0.38226%0.258SS..PPolyproline II helixtrans-86.7138.7-176.6-65.7-78.3000110.9G34 Q51 T56 A59G34-F53 WeakPolarHBondContact O-CD2 3.41Å; G34-F53 PolarHBondContact O-N 3.1Å; Q51-F53 HydrophobicContact CG-CD1 4.41Å; Q51-F53 HydrophobicContact CG-CE1 4.35Å; F53-T56 HydrophobicContact CB-CG2 3.74Å; F53-T56 WeakPolarHBondContact O-CB 3.47Å; F53-T56 WeakPolarHBondContact O-CG2 3.17Å; F53-T56 PolarHBondContact O-OG1 3.4Å; F53-A59 WeakPolarHBondContact O-CB 3.38Å
54D92.6Very high95.3Very high94 Ų9442.2 Ų42.250%0.50324%0.244SC..THydrogen-bonded Turntrans-63.8153.3-178.8-52.6-0000110.9T56 R305D54-T56 PolarHBondContact O-N 3.01Å; D54-R305 IonicContact OD1-CZ 3.87Å; D54-R305 VanDerWaalsContact OD1-CZ 3.22Å; D54-R305 IonicContact OD1-NH1 3.78Å; D54-R305 PolarHBondContact OD1-NH1 3.05Å; D54-R305 IonicContact OD1-NH2 3.82Å; D54-R305 PolarHBondContact OD1-NH2 2.97Å; D54-R305 IonicContact OD2-CZ 3.13Å; D54-R305 IonicContact OD2-NH1 2.9Å; D54-R305 IonicContact OD2-NH2 2.73Å; D54-R305 PolarHBondContact OD2-NH2 3.38Å
55N92.8Very high95.5Very high154 Ų15442.2 Ų42.282%0.82425%0.245SC*.THydrogen-bonded Turntrans58.326.3-179.9-53.8-43.5000114.5
56T95.9Very high95.8Very high17 Ų1740.2 Ų40.210%0.10423%0.232CC..SBendtrans-111.4163.417567.90000111.7G34 F53 D54 A58 A59 L60G34-T56 WeakPolarHBondContact CA-OG1 3.07Å; G34-T56 PolarHBondContact O-OG1 3.3Å; F53-T56 HydrophobicContact CB-CG2 3.74Å; F53-T56 WeakPolarHBondContact O-CB 3.47Å; F53-T56 WeakPolarHBondContact O-CG2 3.17Å; F53-T56 PolarHBondContact O-OG1 3.4Å; D54-T56 PolarHBondContact O-N 3.01Å; T56-A58 VanDerWaalsContact C-N 3.29Å; T56-A58 PolarHBondContact O-N 3Å; T56-A59 PolarHBondContact O-N 2.89Å; T56-L60 WeakPolarHBondContact O-CG 3.36Å; T56-L60 PolarHBondContact O-N 3.13Å
57P96.7Very high96Very high21 Ų2140.1 Ų40.114%0.13623%0.232CC..Hα-helixtrans-52.2-43.8178.2-30.136.8000114.3K26 D28 A59 L60 D61K26-P57 WeakPolarHBondContact O-CB 3.36Å; K26-P57 WeakPolarHBondContact O-CG 3.4Å; D28-P57 HydrophobicContact CB-CG 4.03Å; P57-A59 PolarHBondContact O-N 3.1Å; P57-L60 PolarHBondContact O-N 3.4Å; P57-D61 WeakPolarHBondContact O-CB 3.32Å; P57-D61 PolarHBondContact O-N 2.87Å
58A97Very high96Very high1 Ų140 Ų401%0.00823%0.231CC..Hα-helixtrans-65-37.6178.300000112.8L25 I33 I35 V52 T56 G62L25-A58 HydrophobicContact CD1-CB 3.96Å; I33-A58 WeakPolarHBondContact O-CB 3.43Å; I33-A58 PolarHBondContact O-N 2.88Å; I35-A58 HydrophobicContact CG2-CB 3.62Å; V52-A58 HydrophobicContact CG1-CB 3.88Å; T56-A58 VanDerWaalsContact C-N 3.29Å; T56-A58 PolarHBondContact O-N 3Å; A58-G62 PolarHBondContact O-N 3.36Å
59A95.6Very high96.1Very high41 Ų4140.8 Ų40.834%0.33924%0.235SC..Hα-helixtrans-70.5-38176.800000112.9V52 F53 T56 P57V52-A59 HydrophobicContact CG1-CB 3.92Å; F53-A59 WeakPolarHBondContact O-CB 3.38Å; T56-A59 PolarHBondContact O-N 2.89Å; P57-A59 PolarHBondContact O-N 3.1Å
60L95.6Very high96Very high142 Ų14240.9 Ų40.974%0.74324%0.236SC*.Hα-helixtrans-70.9-38.5179.6-68.3172.5000112.1T56 P57T56-L60 WeakPolarHBondContact O-CG 3.36Å; T56-L60 PolarHBondContact O-N 3.13Å; P57-L60 PolarHBondContact O-N 3.4Å
61D96.7Very high96Very high73 Ų7341.8 Ų41.839%0.3924%0.241SC..Hα-helixtrans-68.9-41174.6176-90.3000111.8V23 L25 P57 T63V23-D61 WeakPolarHBondContact CG2-OD1 3.38Å; L25-D61 HydrophobicContact CD2-CB 3.52Å; P57-D61 WeakPolarHBondContact O-CB 3.32Å; P57-D61 PolarHBondContact O-N 2.87Å; D61-T63 PolarHBondContact O-N 3.31Å; D61-T63 WeakPolarHBondContact OD1-CB 3.43Å; D61-T63 PolarHBondContact OD1-N 2.87Å; D61-T63 PolarHBondContact OD1-OG1 3.38Å
62G95.1Very high96Very high51 Ų5139.1 Ų39.153%0.52623%0.229SC..  trans77.1-2.917400000115.2A58A58-G62 PolarHBondContact O-N 3.36Å
63T96.3Very high96Very high45 Ų4538.7 Ų38.728%0.27623%0.226SC..  trans-70.5-39.2179.3-56.90000112.2V23 D61 Y101 K103V23-T63 HydrophobicContact CB-CG2 4.08Å; V23-T63 HydrophobicContact CG2-CG2 4.27Å; D61-T63 PolarHBondContact O-N 3.31Å; D61-T63 WeakPolarHBondContact OD1-CB 3.43Å; D61-T63 PolarHBondContact OD1-N 2.87Å; D61-T63 PolarHBondContact OD1-OG1 3.38Å; T63-Y101 HydrophobicContact CG2-CE1 3.84Å; T63-Y101 HydrophobicContact CG2-CE2 4.47Å; T63-Y101 WeakPolarHBondContact CG2-OH 3.47Å; T63-K103 PolarHBondContact O-NZ 2.93Å
64L96.9Very high96Very high4 Ų437.9 Ų37.92%0.02123%0.226CC..  trans-88.8144.7179.4-63-177.2000111.5V23 L25 I35 I49 I99 Y101V23-L64 HydrophobicContact CG1-CD1 4.2Å; V23-L64 HydrophobicContact CG1-CD2 3.86Å; V23-L64 HydrophobicContact CG1-CG 3.92Å; L25-L64 HydrophobicContact CD1-CD1 3.79Å; I35-L64 HydrophobicContact CG2-CD1 4.38Å; I49-L64 HydrophobicContact CD1-CB 3.78Å; I49-L64 HydrophobicContact CD1-CD1 4.01Å; I49-L64 HydrophobicContact CD1-CD2 4.13Å; I49-L64 HydrophobicContact CD1-CG 4.19Å; L64-I99 HydrophobicContact CD1-CG2 4.34Å; L64-I99 HydrophobicContact CD2-CG2 4.47Å; L64-Y101 HydrophobicContact CD2-CD1 3.53Å; L64-Y101 HydrophobicContact CD2-CD2 4.45Å; L64-Y101 HydrophobicContact CD2-CE1 4.03Å; L64-Y101 HydrophobicContact CD2-CG 3.78Å
65A96.6Very high95.9Very high8 Ų836.4 Ų36.47%0.06623%0.233CC..  trans-152.4160.1177.500000112.2G67 D68 R299A65-G67 PolarHBondContact O-N 3.39Å; A65-D68 PolarHBondContact N-OD2 2.89Å; A65-D68 VanDerWaalsContact O-CB 3.23Å; A65-D68 WeakPolarHBondContact O-CB 3.04Å; A65-D68 PolarHBondContact O-N 3.15Å; A65-D68 VanDerWaalsContact O-N 3.09Å; A65-R299 VanDerWaalsContact C-NH1 3.26Å
66A96.6Very high95.9Very high2 Ų235.9 Ų35.92%0.01722%0.223CC..THydrogen-bonded Turntrans-60.2133.9-17500000112.6I49 L298 R299 Q302I49-A66 CarbonylContact O-C 3.54Å; I49-A66 WeakPolarHBondContact O-CA 3.44Å; A66-L298 HydrophobicContact CB-CB 4.08Å; A66-R299 VanDerWaalsContact O-CZ 3.29Å; A66-R299 PolarHBondContact O-NH1 3.12Å; A66-Q302 HydrophobicContact CB-CB 4.31Å; A66-Q302 VanDerWaalsContact CB-OE1 3.22Å
67G95.8Very high95.9Very high0 Ų039.5 Ų39.50%025%0.246CC..THydrogen-bonded Turntrans91.6-12.2-172.300000114.6I49 A65 R295I49-G67 PolarHBondContact O-N 3.42Å; A65-G67 PolarHBondContact O-N 3.39Å; G67-R295 PolarHBondContact O-NE 3.42Å; G67-R295 PolarHBondContact O-NH2 3.23Å; G67-R295 VanDerWaalsContact O-NH2 3.13Å
68D97.3Very high95.8Very high0 Ų038.6 Ų38.60%024%0.239CC..PPolyproline II helixtrans-65.2139.1170.8-66-22.5000110.1Y48 I49 A65 K103 L104 R299Y48-D68 CarbonylContact C-O 3.55Å; Y48-D68 WeakPolarHBondContact CA-O 3.43Å; Y48-D68 VanDerWaalsContact CB-O 3.28Å; Y48-D68 WeakPolarHBondContact CB-O 3.4Å; I49-D68 HydrophobicContact CD1-CB 4.21Å; I49-D68 PolarHBondContact N-O 3.35Å; A65-D68 PolarHBondContact N-OD2 2.89Å; A65-D68 VanDerWaalsContact O-CB 3.23Å; A65-D68 WeakPolarHBondContact O-CB 3.04Å; A65-D68 PolarHBondContact O-N 3.15Å; A65-D68 VanDerWaalsContact O-N 3.09Å; D68-K103 WeakPolarHBondContact OD1-CA 3.43Å; D68-K103 WeakPolarHBondContact OD1-CD 3.41Å; D68-K103 IonicContact OD1-NZ 3.84Å; D68-K103 WeakPolarHBondContact OD2-CD 3.33Å; D68-K103 WeakPolarHBondContact OD2-CE 3.49Å; D68-K103 IonicContact OD2-NZ 2.75Å; D68-K103 PolarHBondContact OD2-NZ 2.78Å; D68-L104 PolarHBondContact OD1-N 2.66Å; D68-R299 IonicContact OD1-CZ 3.76Å; D68-R299 IonicContact OD1-NH2 2.66Å; D68-R299 PolarHBondContact OD1-NH2 3.25Å; D68-R299 IonicContact OD2-NH2 3.96Å
69E96.6Very high95.5Very high20 Ų2045.6 Ų45.69%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-86.7139.5175.3165.1-171.9-152.400110.1C46 L47 T71 Y101 N102C46-E69 HydrophobicContact CB-CG 4.4Å; L47-E69 CarbonylContact O-C 3.57Å; L47-E69 VanDerWaalsContact O-CA 3.25Å; L47-E69 WeakPolarHBondContact O-CA 3.48Å; L47-E69 WeakPolarHBondContact O-CG 3.41Å; E69-T71 HydrophobicContact CG-CG2 3.99Å; E69-Y101 CarbonylContact O-C 3.47Å; E69-Y101 WeakPolarHBondContact O-CA 3.48Å; E69-Y101 VanDerWaalsContact O-CB 3.23Å; E69-Y101 WeakPolarHBondContact O-CB 3.11Å; E69-N102 HydrophobicContact CB-CB 4.09Å; E69-N102 HydrophobicContact CG-CB 4.48Å; E69-N102 PolarHBondContact N-O 3.31Å; E69-N102 PolarHBondContact O-N 3.23Å; E69-N102 WeakPolarHBondContact OE2-CB 3.3Å; E69-N102 PolarHBondContact OE2-ND2 3.17Å
70I97.3Very high95.2Very high2 Ų246.6 Ų46.61%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-94.7117.4172.4-55.7174000107.2I35 I37 L47 I49 V73 V78 V86 I99I35-I70 HydrophobicContact CD1-CD1 3.98Å; I37-I70 HydrophobicContact CD1-CD1 3.93Å; I37-I70 HydrophobicContact CG1-CD1 3.88Å; I37-I70 HydrophobicContact CG2-CD1 4.26Å; L47-I70 HydrophobicContact CB-CB 4.48Å; L47-I70 PolarHBondContact O-N 3.35Å; I49-I70 HydrophobicContact CG1-CD1 4.09Å; I49-I70 HydrophobicContact CG1-CG1 4.03Å; I70-V73 HydrophobicContact CG2-CG2 4.49Å; I70-V78 HydrophobicContact CG2-CG2 4.04Å; I70-V78 WeakPolarHBondContact O-CG2 3.41Å; I70-V86 HydrophobicContact CG2-CG1 4.49Å; I70-I99 HydrophobicContact CG2-CG2 4.27Å
71T96.6Very high95.1Very high45 Ų4542.5 Ų42.528%0.27626%0.26SS..EExtended strand (participates in β ladder)trans-103.3-21.7-178.257.30000112.6E69 V78 H100 Y101 N102E69-T71 HydrophobicContact CG-CG2 3.99Å; T71-V78 PolarHBondContact O-N 3.33Å; T71-V78 VanDerWaalsContact O-N 3.17Å; T71-H100 PolarHBondContact N-O 2.85Å; T71-H100 VanDerWaalsContact OG1-C 3.22Å; T71-H100 WeakPolarHBondContact OG1-CB 3.38Å; T71-H100 PolarHBondContact OG1-O 3.02Å; T71-Y101 PolarHBondContact OG1-N 3.13Å; T71-N102 HydrophobicContact CG2-CB 4.28Å; T71-N102 WeakPolarHBondContact CG2-ND2 3.37Å
72G96.7Very high95.1Very high2 Ų241.2 Ų41.22%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-166.9161.7176.800000114.9K76 H100G72-K76 CarbonylContact C-O 3.56Å; G72-K76 WeakPolarHBondContact CA-O 3.41Å; G72-H100 PolarHBondContact N-O 3.23Å; G72-H100 PolarHBondContact O-N 3.41Å
73V96.8Very high95Very high3 Ų344.1 Ų44.12%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-131.3122.3176.1-1800000108.7I70 G75 K76 V78 V86 M89 I90 V93 V98 I99I70-V73 HydrophobicContact CG2-CG2 4.49Å; V73-G75 VanDerWaalsContact C-N 3.31Å; V73-G75 PolarHBondContact O-N 2.75Å; V73-K76 PolarHBondContact N-O 3.13Å; V73-K76 WeakPolarHBondContact O-CB 3.32Å; V73-K76 PolarHBondContact O-N 3.42Å; V73-V78 HydrophobicContact CG2-CG1 3.96Å; V73-V86 HydrophobicContact CG2-CG1 4.25Å; V73-M89 HydrophobicContact CB-CE 4.31Å; V73-M89 HydrophobicContact CG1-CB 4.49Å; V73-I90 HydrophobicContact CG1-CG1 3.92Å; V73-I90 HydrophobicContact CG2-CD1 4.3Å; V73-I90 HydrophobicContact CG2-CG1 3.71Å; V73-V93 HydrophobicContact CG1-CG2 4.32Å; V73-V98 CarbonylContact C-O 3.05Å; V73-V98 WeakPolarHBondContact CA-O 3.34Å; V73-I99 HydrophobicContact CG1-CD1 4.41Å; V73-I99 HydrophobicContact CG2-CD1 4.18Å
74N94.4Very high95Very high71 Ų7145.8 Ų45.838%0.3826%0.263SS..THydrogen-bonded Turntrans46.850-176.5-73.930.8000112.9K76 V93 V98N74-K76 PolarHBondContact O-N 3.21Å; N74-V93 HydrophobicContact CB-CG2 4.4Å; N74-V93 VanDerWaalsContact ND2-CG1 3.27Å; N74-V93 WeakPolarHBondContact ND2-CG1 3.49Å; N74-V93 WeakPolarHBondContact ND2-CG2 3.26Å; N74-V98 PolarHBondContact N-O 3.45Å; N74-V98 PolarHBondContact OD1-N 2.99Å; N74-V98 PolarHBondContact OD1-O 3.42Å
75G89.6Confident94.9Very high62 Ų6250 Ų5064%0.63928%0.283SS*.THydrogen-bonded Turntrans74.2-1.8-179.800000115.6V73 H100V73-G75 VanDerWaalsContact C-N 3.31Å; V73-G75 PolarHBondContact O-N 2.75Å; G75-H100 PolarHBondContact N-NE2 3.29Å
76K94.6Very high94.8Very high143 Ų14349.6 Ų49.662%0.62228%0.28SS*.EExtended strand (participates in β ladder)trans-96.3127.3175.6-63.5-178.5-179.1178.90110.6G72 V73 N74 M89G72-K76 CarbonylContact C-O 3.56Å; G72-K76 WeakPolarHBondContact CA-O 3.41Å; V73-K76 PolarHBondContact N-O 3.13Å; V73-K76 WeakPolarHBondContact O-CB 3.32Å; V73-K76 PolarHBondContact O-N 3.42Å; N74-K76 PolarHBondContact O-N 3.21Å; K76-M89 HydrophobicContact CB-CE 3.71Å; K76-M89 HydrophobicContact CD-CE 4.21Å
77T94.5Very high94.7Very high94 Ų9451.2 Ų51.258%0.57729%0.293SS*.EExtended strand (participates in β ladder)trans-59.5145.3173.5-1770000111.8K79 K81T77-K79 PolarHBondContact OG1-N 2.86Å; T77-K81 PolarHBondContact O-NZ 3.18Å
78V94.6Very high94.7Very high1 Ų157.4 Ų57.41%0.00632%0.32CS..  trans-111.12.2174-60.60000113.7L47 I70 T71 V73 G80 K81 V86 M89L47-V78 HydrophobicContact CD1-CB 3.94Å; L47-V78 HydrophobicContact CD1-CG2 3.83Å; L47-V78 WeakPolarHBondContact CD1-O 3.01Å; I70-V78 HydrophobicContact CG2-CG2 4.04Å; I70-V78 WeakPolarHBondContact O-CG2 3.41Å; T71-V78 PolarHBondContact O-N 3.33Å; T71-V78 VanDerWaalsContact O-N 3.17Å; V73-V78 HydrophobicContact CG2-CG1 3.96Å; V78-G80 PolarHBondContact O-N 3.11Å; V78-K81 WeakPolarHBondContact O-CB 3.34Å; V78-K81 PolarHBondContact O-N 3.49Å; V78-K81 VanDerWaalsContact O-N 3.1Å; V78-V86 HydrophobicContact CB-CG2 3.7Å; V78-V86 HydrophobicContact CG1-CG1 4.06Å; V78-V86 HydrophobicContact CG1-CG2 3.83Å; V78-V86 HydrophobicContact CG2-CG2 4.45Å; V78-M89 HydrophobicContact CG1-CE 4.32Å; V78-M89 HydrophobicContact CG1-SD 4.2Å
79K90.7Very high94.6Very high149 Ų14959.3 Ų59.365%0.64833%0.329SS*.THydrogen-bonded Turntrans-56.8134.8175.5-166.6176.3-177-177.10110.1T77 K81T77-K79 PolarHBondContact OG1-N 2.86Å; K79-K81 VanDerWaalsContact C-N 3.28Å; K79-K81 PolarHBondContact O-N 3.15Å
80G89.6Confident94.5Very high61 Ų6158.8 Ų58.863%0.62933%0.327SS*.THydrogen-bonded Turntrans77.13.2-178.600000115.5A41 V78A41-G80 WeakPolarHBondContact CB-O 3.42Å; V78-G80 PolarHBondContact O-N 3.11Å
81K94.3Very high94.2Very high56 Ų5663.3 Ų63.324%0.24335%0.348CS..  trans-92156.2176-63.8-175.1-179.9153.50112.2G40 A41 L47 T77 V78 K79 E85 V86 M89G40-K81 WeakPolarHBondContact CA-O 3.4Å; A41-K81 PolarHBondContact N-O 2.97Å; L47-K81 HydrophobicContact CD1-CB 4.5Å; T77-K81 PolarHBondContact O-NZ 3.18Å; V78-K81 WeakPolarHBondContact O-CB 3.34Å; V78-K81 PolarHBondContact O-N 3.49Å; V78-K81 VanDerWaalsContact O-N 3.1Å; K79-K81 VanDerWaalsContact C-N 3.28Å; K79-K81 PolarHBondContact O-N 3.15Å; K81-E85 HydrophobicContact CB-CB 4.27Å; K81-V86 HydrophobicContact CB-CG2 3.93Å; K81-M89 HydrophobicContact CD-SD 3.58Å; K81-M89 VanDerWaalsContact CD-SD 3.58Å; K81-M89 PolarHBondContact NZ-SD 3.25Å
82T95.7Very high94.1Very high47 Ų4764.7 Ų64.729%0.28836%0.364SS..BIsolated β-bridgetrans-77.4155.3170.266.90000110.9A41 V84 E85 V86A41-T82 HydrophobicContact CB-CG2 4.36Å; T82-V84 PolarHBondContact O-N 2.83Å; T82-V84 VanDerWaalsContact O-N 3.16Å; T82-E85 WeakPolarHBondContact CB-OE2 3.37Å; T82-E85 PolarHBondContact N-OE2 3.31Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 VanDerWaalsContact O-N 3.11Å; T82-E85 VanDerWaalsContact OG1-CG 3.24Å; T82-E85 WeakPolarHBondContact OG1-CG 3.45Å; T82-E85 PolarHBondContact OG1-N 2.82Å; T82-E85 PolarHBondContact OG1-OE2 2.68Å; T82-V86 PolarHBondContact O-N 2.75Å; T82-V86 VanDerWaalsContact O-N 3.13Å
83K93.8Very high93.8Very high111 Ų11165.6 Ų65.648%0.48337%0.369SS..Hα-helixtrans-54.2-33.7173.864.3-165.1173.6-156.80113.5I37 L47 A87I37-K83 HydrophobicContact CG2-CB 4.2Å; L47-K83 HydrophobicContact CD2-CB 4.18Å; K83-A87 WeakPolarHBondContact O-CB 3.36Å; K83-A87 PolarHBondContact O-N 3.11Å
84V95.1Very high93.5Very high81 Ų8172.6 Ų72.649%0.49140%0.401SS..Hα-helixtrans-69.8-41.6178.9-179.90000111.3T82 A87 K88T82-V84 PolarHBondContact O-N 2.83Å; T82-V84 VanDerWaalsContact O-N 3.16Å; V84-A87 PolarHBondContact O-N 2.66Å; V84-K88 HydrophobicContact CG1-CD 4.42Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 2.68Å
85E95.5Very high93.3Very high92 Ų9271.3 Ų71.343%0.4341%0.405SS..Hα-helixtrans-65.7-42.6177.4-72165.9134.400111.8K81 T82 K88 M89K81-E85 HydrophobicContact CB-CB 4.27Å; T82-E85 WeakPolarHBondContact CB-OE2 3.37Å; T82-E85 PolarHBondContact N-OE2 3.31Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 VanDerWaalsContact O-N 3.11Å; T82-E85 VanDerWaalsContact OG1-CG 3.24Å; T82-E85 WeakPolarHBondContact OG1-CG 3.45Å; T82-E85 PolarHBondContact OG1-N 2.82Å; T82-E85 PolarHBondContact OG1-OE2 2.68Å; E85-K88 PolarHBondContact O-N 2.79Å; E85-M89 WeakPolarHBondContact O-CG 3.33Å; E85-M89 PolarHBondContact O-N 2.76Å
86V95.3Very high93.5Very high0 Ų073.7 Ų73.70%040%0.399CS..Hα-helixtrans-64.9-41.8176.7-179.20000111.4I37 L47 I70 V73 V78 K81 T82 K88 M89 I90I37-V86 HydrophobicContact CD1-CB 4.32Å; I37-V86 HydrophobicContact CD1-CG1 3.84Å; L47-V86 HydrophobicContact CD1-CG2 3.57Å; L47-V86 HydrophobicContact CD2-CB 4.34Å; L47-V86 HydrophobicContact CD2-CG2 3.85Å; L47-V86 HydrophobicContact CG-CG2 4.29Å; I70-V86 HydrophobicContact CG2-CG1 4.49Å; V73-V86 HydrophobicContact CG2-CG1 4.25Å; V78-V86 HydrophobicContact CB-CG2 3.7Å; V78-V86 HydrophobicContact CG1-CG1 4.06Å; V78-V86 HydrophobicContact CG1-CG2 3.83Å; V78-V86 HydrophobicContact CG2-CG2 4.45Å; K81-V86 HydrophobicContact CB-CG2 3.93Å; T82-V86 PolarHBondContact O-N 2.75Å; T82-V86 VanDerWaalsContact O-N 3.13Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.87Å; V86-M89 WeakPolarHBondContact O-CB 3.23Å; V86-M89 PolarHBondContact O-N 2.89Å; V86-I90 HydrophobicContact CG1-CD1 4.19Å; V86-I90 WeakPolarHBondContact O-CG1 3.28Å; V86-I90 PolarHBondContact O-N 3.41Å
87A94.4Very high93.6Very high35 Ų3566.9 Ų66.929%0.28937%0.37SS..Hα-helixtrans-58.1-44.6173.700000111.6K83 V84 I90 Q91K83-A87 WeakPolarHBondContact O-CB 3.36Å; K83-A87 PolarHBondContact O-N 3.11Å; V84-A87 PolarHBondContact O-N 2.66Å; A87-I90 PolarHBondContact O-N 2.76Å; A87-Q91 WeakPolarHBondContact O-CB 3.15Å; A87-Q91 VanDerWaalsContact O-CG 3.27Å; A87-Q91 WeakPolarHBondContact O-CG 3.23Å; A87-Q91 PolarHBondContact O-N 3.47Å
88K94.7Very high93.7Very high131 Ų13164.2 Ų64.257%0.5735%0.353SS*.Hα-helixtrans-63.3-39.8174.8-73.9176.2-179.5178.40112.5V84 E85 V86 Q91 A92V84-K88 HydrophobicContact CG1-CD 4.42Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 2.68Å; E85-K88 PolarHBondContact O-N 2.79Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.87Å; K88-Q91 PolarHBondContact O-N 3.09Å; K88-A92 WeakPolarHBondContact O-CB 3.08Å; K88-A92 PolarHBondContact O-N 2.84Å
89M95.1Very high93.9Very high39 Ų3964.1 Ų64.119%0.19235%0.353CS..Hα-helixtrans-60.6-45.6175.8-74.8178.869.700111.5V73 K76 V78 K81 E85 V86 A92V73-M89 HydrophobicContact CB-CE 4.31Å; V73-M89 HydrophobicContact CG1-CB 4.49Å; K76-M89 HydrophobicContact CB-CE 3.71Å; K76-M89 HydrophobicContact CD-CE 4.21Å; V78-M89 HydrophobicContact CG1-CE 4.32Å; V78-M89 HydrophobicContact CG1-SD 4.2Å; K81-M89 HydrophobicContact CD-SD 3.58Å; K81-M89 VanDerWaalsContact CD-SD 3.58Å; K81-M89 PolarHBondContact NZ-SD 3.25Å; E85-M89 WeakPolarHBondContact O-CG 3.33Å; E85-M89 PolarHBondContact O-N 2.76Å; V86-M89 WeakPolarHBondContact O-CB 3.23Å; V86-M89 PolarHBondContact O-N 2.89Å; M89-A92 PolarHBondContact O-N 3.07Å
90I94.5Very high94.2Very high10 Ų1059.5 Ų59.55%0.05133%0.333CS..Hα-helixtrans-63.4-46.1176.5-65.5168.2000109.7K27 I33 I35 I37 V73 V86 A87 A92 V93 I99K27-I90 VanDerWaalsContact CE-O 3.27Å; K27-I90 WeakPolarHBondContact CE-O 3.49Å; K27-I90 PolarHBondContact NZ-O 3Å; I33-I90 HydrophobicContact CD1-CD1 4.21Å; I33-I90 HydrophobicContact CD1-CG2 3.79Å; I33-I90 HydrophobicContact CG1-CG2 4.03Å; I33-I90 HydrophobicContact CG2-CG2 4.38Å; I35-I90 HydrophobicContact CD1-CD1 4.45Å; I37-I90 HydrophobicContact CD1-CD1 3.88Å; V73-I90 HydrophobicContact CG1-CG1 3.92Å; V73-I90 HydrophobicContact CG2-CD1 4.3Å; V73-I90 HydrophobicContact CG2-CG1 3.71Å; V86-I90 HydrophobicContact CG1-CD1 4.19Å; V86-I90 WeakPolarHBondContact O-CG1 3.28Å; V86-I90 PolarHBondContact O-N 3.41Å; A87-I90 PolarHBondContact O-N 2.76Å; I90-A92 VanDerWaalsContact C-N 3.32Å; I90-A92 PolarHBondContact O-N 2.83Å; I90-V93 PolarHBondContact O-N 3.16Å; I90-I99 HydrophobicContact CD1-CD1 4.17Å; I90-I99 HydrophobicContact CG1-CD1 4.08Å
91Q92.7Very high94.6Very high97 Ų9758 Ų5845%0.45331%0.309SS..Hα-helixtrans-61.5-36179.5-74.7172.5-5.900113.3K27 N31 A87 K88 V93K27-Q91 PolarHBondContact NZ-O 3.02Å; N31-Q91 PolarHBondContact ND2-O 3.09Å; A87-Q91 WeakPolarHBondContact O-CB 3.15Å; A87-Q91 VanDerWaalsContact O-CG 3.27Å; A87-Q91 WeakPolarHBondContact O-CG 3.23Å; A87-Q91 PolarHBondContact O-N 3.47Å; K88-Q91 PolarHBondContact O-N 3.09Å; Q91-V93 VanDerWaalsContact C-N 3.26Å; Q91-V93 PolarHBondContact O-N 3.11Å
92A92.9Very high94.7Very high74 Ų7456.9 Ų56.961%0.61231%0.306SS*.Hα-helixtrans-67.9-22.2-18000000113.9K88 M89 I90K88-A92 WeakPolarHBondContact O-CB 3.08Å; K88-A92 PolarHBondContact O-N 2.84Å; M89-A92 PolarHBondContact O-N 3.07Å; I90-A92 VanDerWaalsContact C-N 3.32Å; I90-A92 PolarHBondContact O-N 2.83Å
93V92.1Very high94.7Very high20 Ų2056.8 Ų56.812%0.12130%0.301CS..SBendtrans-71.6131.4175.6-179.80000110K27 N31 V73 N74 I90 Q91 E96 A97K27-V93 WeakPolarHBondContact CE-O 3.47Å; K27-V93 PolarHBondContact NZ-O 3Å; N31-V93 PolarHBondContact OD1-O 2.86Å; V73-V93 HydrophobicContact CG1-CG2 4.32Å; N74-V93 HydrophobicContact CB-CG2 4.4Å; N74-V93 VanDerWaalsContact ND2-CG1 3.27Å; N74-V93 WeakPolarHBondContact ND2-CG1 3.49Å; N74-V93 WeakPolarHBondContact ND2-CG2 3.26Å; I90-V93 PolarHBondContact O-N 3.16Å; Q91-V93 VanDerWaalsContact C-N 3.26Å; Q91-V93 PolarHBondContact O-N 3.11Å; V93-E96 WeakPolarHBondContact CG1-O 3.48Å; V93-A97 HydrophobicContact CB-CB 4.46Å; V93-A97 HydrophobicContact CG1-CB 4.26Å
94Q88.8Confident94.7Very high151 Ų15151.7 Ų51.771%0.70628%0.279SS*.  trans-98139.3177-65.1-65.2-22.900110.8E96Q94-E96 PolarHBondContact O-N 3.24Å
95G91.3Very high94.5Very high44 Ų4452.6 Ų52.645%0.45428%0.278SS..SBendtrans75.7-85.7178.300000113.4K27K27-G95 WeakPolarHBondContact CB-O 3.44Å; K27-G95 WeakPolarHBondContact CG-O 3.41Å; K27-G95 PolarHBondContact N-O 2.77Å
96E94.6Very high93.8Very high111 Ų11149 Ų4952%0.51926%0.264SS..EExtended strand (participates in β ladder)trans-117.6126.5-172.9-67.2-176.4177.200111.7T24 L25 K26 V93 Q94T24-E96 HydrophobicContact CG2-CB 3.92Å; T24-E96 HydrophobicContact CG2-CG 4.44Å; L25-E96 WeakPolarHBondContact O-CA 3.39Å; K26-E96 HydrophobicContact CB-CG 4.28Å; K26-E96 HydrophobicContact CG-CG 4.47Å; V93-E96 WeakPolarHBondContact CG1-O 3.48Å; Q94-E96 PolarHBondContact O-N 3.24Å
97A95.8Very high93.2Very high0 Ų052.2 Ų52.20%028%0.281CS..EExtended strand (participates in β ladder)trans-102.8126.5176.200000110.6L25 I33 V93 I99L25-A97 PolarHBondContact N-O 3.15Å; L25-A97 PolarHBondContact O-N 3.22Å; I33-A97 HydrophobicContact CG2-CB 4.11Å; V93-A97 HydrophobicContact CB-CB 4.46Å; V93-A97 HydrophobicContact CG1-CB 4.26Å; A97-I99 HydrophobicContact CB-CD1 4.48Å
98V97.3Very high92.2Very high38 Ų3852.7 Ų52.723%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-94.1117173.6-175.20000108.4T22 V23 T24 V73 N74T22-V98 HydrophobicContact CG2-CG1 3.37Å; V23-V98 CarbonylContact O-C 3.51Å; V23-V98 WeakPolarHBondContact O-CA 3.24Å; T24-V98 HydrophobicContact CG2-CG2 4.22Å; V73-V98 CarbonylContact C-O 3.05Å; V73-V98 WeakPolarHBondContact CA-O 3.34Å; N74-V98 PolarHBondContact N-O 3.45Å; N74-V98 PolarHBondContact OD1-N 2.99Å; N74-V98 PolarHBondContact OD1-O 3.42Å
99I97.9Very high91.5Very high0 Ų053.9 Ų53.90%029%0.287CS..EExtended strand (participates in β ladder)trans-107.2120.7179-53.6-58.3000108.5T22 V23 I33 L64 I70 V73 I90 A97T22-I99 WeakPolarHBondContact CA-O 3.15Å; V23-I99 HydrophobicContact CG1-CB 4.04Å; V23-I99 PolarHBondContact N-O 3.29Å; V23-I99 PolarHBondContact O-N 3.23Å; I33-I99 HydrophobicContact CD1-CD1 4.1Å; I33-I99 HydrophobicContact CD1-CG1 4.18Å; L64-I99 HydrophobicContact CD1-CG2 4.34Å; L64-I99 HydrophobicContact CD2-CG2 4.47Å; I70-I99 HydrophobicContact CG2-CG2 4.27Å; V73-I99 HydrophobicContact CG1-CD1 4.41Å; V73-I99 HydrophobicContact CG2-CD1 4.18Å; I90-I99 HydrophobicContact CD1-CD1 4.17Å; I90-I99 HydrophobicContact CG1-CD1 4.08Å; A97-I99 HydrophobicContact CB-CD1 4.48Å
100H97.7Very high90.8Very high52 Ų5257 Ų5724%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-90.2131.3166.7-56.3-79.7000108.2T22 T71 G72 G75T22-H100 PolarHBondContact OG1-ND1 2.96Å; T71-H100 PolarHBondContact N-O 2.85Å; T71-H100 VanDerWaalsContact OG1-C 3.22Å; T71-H100 WeakPolarHBondContact OG1-CB 3.38Å; T71-H100 PolarHBondContact OG1-O 3.02Å; G72-H100 PolarHBondContact N-O 3.23Å; G72-H100 PolarHBondContact O-N 3.41Å; G75-H100 PolarHBondContact N-NE2 3.29Å
101Y97.3Very high90.1Very high28 Ų2856.8 Ų56.811%0.1130%0.301CS..EExtended strand (participates in β ladder)trans-140.7158.1-17463.6-92.3000112P20 G21 V23 T63 L64 E69 T71 K103P20-Y101 CarbonylContact C-O 3.57Å; P20-Y101 WeakPolarHBondContact CA-O 3.41Å; G21-Y101 PolarHBondContact N-O 3.09Å; G21-Y101 PolarHBondContact O-N 2.91Å; V23-Y101 HydrophobicContact CB-CE1 3.98Å; V23-Y101 HydrophobicContact CG1-CD1 4.08Å; V23-Y101 HydrophobicContact CG1-CE1 3.87Å; T63-Y101 HydrophobicContact CG2-CE1 3.84Å; T63-Y101 HydrophobicContact CG2-CE2 4.47Å; T63-Y101 WeakPolarHBondContact CG2-OH 3.47Å; L64-Y101 HydrophobicContact CD2-CD1 3.53Å; L64-Y101 HydrophobicContact CD2-CD2 4.45Å; L64-Y101 HydrophobicContact CD2-CE1 4.03Å; L64-Y101 HydrophobicContact CD2-CG 3.78Å; E69-Y101 CarbonylContact O-C 3.47Å; E69-Y101 WeakPolarHBondContact O-CA 3.48Å; E69-Y101 VanDerWaalsContact O-CB 3.23Å; E69-Y101 WeakPolarHBondContact O-CB 3.11Å; T71-Y101 PolarHBondContact OG1-N 3.13Å; Y101-K103 HydrophobicContact CD2-CB 4.22Å; Y101-K103 HydrophobicContact CD2-CD 4.48Å; Y101-K103 HydrophobicContact CE2-CB 4.04Å; Y101-K103 HydrophobicContact CE2-CD 4.12Å
102N96.1Very high89.6Confident34 Ų3458.2 Ų58.218%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-110.1108.8165.5-76-19000108E69 T71 L104E69-N102 HydrophobicContact CB-CB 4.09Å; E69-N102 HydrophobicContact CG-CB 4.48Å; E69-N102 PolarHBondContact N-O 3.31Å; E69-N102 PolarHBondContact O-N 3.23Å; E69-N102 WeakPolarHBondContact OE2-CB 3.3Å; E69-N102 PolarHBondContact OE2-ND2 3.17Å; T71-N102 HydrophobicContact CG2-CB 4.28Å; T71-N102 WeakPolarHBondContact CG2-ND2 3.37Å; N102-L104 PolarHBondContact O-N 2.8Å
103K95.8Very high89.5Confident45 Ų4557 Ų5720%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-68.3123.3-179.4-166.179.7-168.4170.30109.6T18 V19 T63 D68 Y101 Q105T18-K103 CarbonylContact C-O 3.58Å; T18-K103 WeakPolarHBondContact CA-O 3.4Å; V19-K103 HydrophobicContact CB-CB 4.31Å; V19-K103 PolarHBondContact N-O 2.87Å; V19-K103 WeakPolarHBondContact O-CB 3.35Å; V19-K103 PolarHBondContact O-N 2.86Å; T63-K103 PolarHBondContact O-NZ 2.93Å; D68-K103 WeakPolarHBondContact OD1-CA 3.43Å; D68-K103 WeakPolarHBondContact OD1-CD 3.41Å; D68-K103 IonicContact OD1-NZ 3.84Å; D68-K103 WeakPolarHBondContact OD2-CD 3.33Å; D68-K103 WeakPolarHBondContact OD2-CE 3.49Å; D68-K103 IonicContact OD2-NZ 2.75Å; D68-K103 PolarHBondContact OD2-NZ 2.78Å; Y101-K103 HydrophobicContact CD2-CB 4.22Å; Y101-K103 HydrophobicContact CD2-CD 4.48Å; Y101-K103 HydrophobicContact CE2-CB 4.04Å; Y101-K103 HydrophobicContact CE2-CD 4.12Å; K103-Q105 PolarHBondContact O-N 3.1Å
104L94.1Very high89.3Confident4 Ų462.3 Ų62.32%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-77.7113.9175.6-171.775.7000110I16 T18 D68 N102 A106 Y292 R295 R299I16-L104 HydrophobicContact CB-CD1 4.25Å; I16-L104 HydrophobicContact CG2-CD1 3.53Å; I16-L104 HydrophobicContact CG2-CG 3.93Å; T18-L104 HydrophobicContact CG2-CD1 4.24Å; D68-L104 PolarHBondContact OD1-N 2.66Å; N102-L104 PolarHBondContact O-N 2.8Å; L104-A106 HydrophobicContact CD2-CB 4.04Å; L104-A106 HydrophobicContact CG-CB 4.16Å; L104-A106 PolarHBondContact O-N 3.2Å; L104-A106 VanDerWaalsContact O-N 3.1Å; L104-Y292 HydrophobicContact CD1-CD1 3.85Å; L104-Y292 HydrophobicContact CD1-CE1 4Å; L104-R295 HydrophobicContact CD2-CB 3.92Å; L104-R299 PolarHBondContact O-NH2 2.82Å
105Q90.4Very high89.4Confident99 Ų9957.5 Ų57.546%0.46330%0.299SS..  trans-85.764.2175.7-63.6-68.9-17.400110.3I16 P17 V19 K103I16-Q105 WeakPolarHBondContact CG2-O 3.35Å; P17-Q105 HydrophobicContact CB-CB 4.41Å; P17-Q105 HydrophobicContact CG-CB 3.84Å; P17-Q105 VanDerWaalsContact O-CB 3.29Å; P17-Q105 WeakPolarHBondContact O-CB 3.29Å; P17-Q105 PolarHBondContact O-N 3.31Å; V19-Q105 HydrophobicContact CG2-CG 3.86Å; K103-Q105 PolarHBondContact O-N 3.1Å
106A82.3Confident89.4Confident16 Ų1655.9 Ų55.913%0.13228%0.28CS..  trans-78.5129.2178.600000111.1L104 L296 R299L104-A106 HydrophobicContact CD2-CB 4.04Å; L104-A106 HydrophobicContact CG-CB 4.16Å; L104-A106 PolarHBondContact O-N 3.2Å; L104-A106 VanDerWaalsContact O-N 3.1Å; A106-L296 HydrophobicContact CB-CD1 3.43Å; A106-L296 VanDerWaalsContact CB-CD1 3.43Å; A106-R299 HydrophobicContact CB-CB 4.29Å; A106-R299 HydrophobicContact CB-CG 3.96Å
107D80.9Confident89.3Confident69 Ų6954.3 Ų54.337%0.36928%0.278SS..  trans-82.2121.6166.5-179.8-8.1000108.8K109 Q110D107-K109 PolarHBondContact O-N 2.97Å; D107-K109 WeakPolarHBondContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CG 3.46Å; D107-K109 PolarHBondContact OD1-N 3.4Å; D107-Q110 HydrophobicContact CB-CG 4.12Å; D107-Q110 WeakPolarHBondContact O-CB 3.36Å; D107-Q110 PolarHBondContact O-N 3.35Å
108P74.8Confident89Confident45 Ų4559.3 Ų59.329%0.29230%0.304SS..THydrogen-bonded Turntrans-55.6-22.6177.5-26.236000114.1Q110 G111 E303P108-Q110 VanDerWaalsContact C-N 3.32Å; P108-G111 PolarHBondContact O-N 2.71Å; P108-E303 WeakPolarHBondContact CG-OE2 3.47Å
109K80.4Confident88.7Confident156 Ų15658.2 Ų58.268%0.67830%0.296SS*.THydrogen-bonded Turntrans-65.1-35.1173.5-66.1177.3-177.41730112.5D107 G111 K112D107-K109 PolarHBondContact O-N 2.97Å; D107-K109 WeakPolarHBondContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CG 3.46Å; D107-K109 PolarHBondContact OD1-N 3.4Å; K109-G111 PolarHBondContact O-N 2.98Å; K109-K112 PolarHBondContact O-N 3.03Å; K109-K112 VanDerWaalsContact O-N 3.15Å
110Q79.1Confident88.4Confident103 Ų10360 Ų6048%0.48130%0.304SS..THydrogen-bonded Turntrans-66.6-29.4178.9-66175-17.300111.6D107 P108 K112 L296D107-Q110 HydrophobicContact CB-CG 4.12Å; D107-Q110 WeakPolarHBondContact O-CB 3.36Å; D107-Q110 PolarHBondContact O-N 3.35Å; P108-Q110 VanDerWaalsContact C-N 3.32Å; Q110-K112 VanDerWaalsContact C-N 3.28Å; Q110-K112 PolarHBondContact O-N 3.44Å; Q110-L296 HydrophobicContact CB-CD1 4.42Å; Q110-L296 HydrophobicContact CB-CD2 3.84Å
111G79.3Confident88Confident6 Ų660.9 Ų60.96%0.06231%0.312CS..THydrogen-bonded Turntrans-80-0.2175.200000115P108 K109 S113 Y263P108-G111 PolarHBondContact O-N 2.71Å; K109-G111 PolarHBondContact O-N 2.98Å; G111-S113 PolarHBondContact O-N 2.99Å; G111-Y263 WeakPolarHBondContact O-CE1 3.39Å; G111-Y263 PolarHBondContact O-OH 3.18Å
112K84Confident87.6Confident127 Ų12762.1 Ų62.155%0.55232%0.319SS*.  trans-92.275.6177-69-177-179.8-178.60110.6K109 Q110K109-K112 PolarHBondContact O-N 3.03Å; K109-K112 VanDerWaalsContact O-N 3.15Å; Q110-K112 VanDerWaalsContact C-N 3.28Å; Q110-K112 PolarHBondContact O-N 3.44Å
113S89Confident87.1Confident49 Ų4960.9 Ų60.934%0.34331%0.312SS..  trans-82.7159.6175.967.90000112.3G111 D115 I116 V117G111-S113 PolarHBondContact O-N 2.99Å; S113-D115 PolarHBondContact O-N 3.43Å; S113-I116 PolarHBondContact O-N 3.32Å; S113-I116 VanDerWaalsContact O-N 3.09Å; S113-I116 WeakPolarHBondContact OG-CG1 3.03Å; S113-I116 PolarHBondContact OG-N 3.3Å; S113-V117 PolarHBondContact O-N 2.99Å; S113-V117 VanDerWaalsContact O-N 3.13Å
114L88.9Confident86.6Confident131 Ų13164.7 Ų64.769%0.68633%0.325SS*.Hα-helixtrans-54.8-35.4170.9-177.565.9000111.3V117 L118L114-V117 WeakPolarHBondContact O-CB 3.43Å; L114-V117 PolarHBondContact O-N 3.49Å; L114-V117 VanDerWaalsContact O-N 3.17Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.4Å; L114-L118 WeakPolarHBondContact O-CG 2.92Å; L114-L118 PolarHBondContact O-N 3.25Å
115D90.6Very high86.1Confident50 Ų5069 Ų6927%0.26735%0.347SS..Hα-helixtrans-60.2-45.5175.7-177.841.8000112.3S113 V117 L118 K119 K266S113-D115 PolarHBondContact O-N 3.43Å; D115-V117 VanDerWaalsContact C-N 3.3Å; D115-V117 PolarHBondContact O-N 3.06Å; D115-L118 PolarHBondContact O-N 2.82Å; D115-K119 WeakPolarHBondContact O-CB 3.27Å; D115-K119 VanDerWaalsContact O-CG 3.3Å; D115-K119 WeakPolarHBondContact O-CG 3.34Å; D115-K119 PolarHBondContact O-N 2.97Å; D115-K119 IonicContact OD1-NZ 3.99Å; D115-K119 PolarHBondContact OD1-NZ 3.15Å; D115-K119 IonicContact OD2-NZ 2.68Å; D115-K119 PolarHBondContact OD2-NZ 3.2Å; D115-K266 WeakPolarHBondContact OD2-CD 3.49Å; D115-K266 WeakPolarHBondContact OD2-CE 3.48Å; D115-K266 IonicContact OD2-NZ 2.93Å; D115-K266 PolarHBondContact OD2-NZ 3.06Å
116I92Very high85.7Confident10 Ų1064.4 Ų64.45%0.05133%0.326CS..Hα-helixtrans-62-39.3173.9-64.7-62.9000111.2S113 K119 K120 Y263 K266S113-I116 PolarHBondContact O-N 3.32Å; S113-I116 VanDerWaalsContact O-N 3.09Å; S113-I116 WeakPolarHBondContact OG-CG1 3.03Å; S113-I116 PolarHBondContact OG-N 3.3Å; I116-K119 PolarHBondContact O-N 3.43Å; I116-K120 WeakPolarHBondContact O-CB 3.45Å; I116-K120 PolarHBondContact O-N 2.6Å; I116-Y263 HydrophobicContact CD1-CD1 3.62Å; I116-Y263 HydrophobicContact CD1-CE1 3.73Å; I116-Y263 HydrophobicContact CD1-CG 4.35Å; I116-Y263 HydrophobicContact CG1-CD1 4.25Å; I116-Y263 HydrophobicContact CG1-CE1 3.82Å; I116-Y263 HydrophobicContact CG2-CE1 4.25Å; I116-Y263 HydrophobicContact CG2-CE2 4.42Å; I116-K266 HydrophobicContact CD1-CB 3.82Å; I116-K266 HydrophobicContact CD1-CG 4.17Å
117V90.9Very high85.4Confident79 Ų7964.8 Ų64.848%0.47933%0.325SS..Hα-helixtrans-63.7-46.3176.8176.60000111.1S113 L114 D115 K120 V121S113-V117 PolarHBondContact O-N 2.99Å; S113-V117 VanDerWaalsContact O-N 3.13Å; L114-V117 WeakPolarHBondContact O-CB 3.43Å; L114-V117 PolarHBondContact O-N 3.49Å; L114-V117 VanDerWaalsContact O-N 3.17Å; D115-V117 VanDerWaalsContact C-N 3.3Å; D115-V117 PolarHBondContact O-N 3.06Å; V117-K120 WeakPolarHBondContact O-CB 3.27Å; V117-K120 PolarHBondContact O-N 2.99Å; V117-V121 WeakPolarHBondContact O-CG2 3.35Å; V117-V121 PolarHBondContact O-N 3.25Å
118L91.1Very high85Confident104 Ų10468.3 Ų68.355%0.54534%0.344SS..Hα-helixtrans-63.7-42177.6-69.9174.6000111.7L114 D115 K120 V121 K122L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.4Å; L114-L118 WeakPolarHBondContact O-CG 2.92Å; L114-L118 PolarHBondContact O-N 3.25Å; D115-L118 PolarHBondContact O-N 2.82Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.85Å; L118-V121 PolarHBondContact O-N 2.91Å; L118-K122 PolarHBondContact O-N 3.35Å
119K91.2Very high85.1Confident15 Ų1569 Ų697%0.06534%0.344CS..Hα-helixtrans-59.6-40.7173.3-74.9175.2164.273.30111.9D115 I116 K122 H123 L265 K266 E269D115-K119 WeakPolarHBondContact O-CB 3.27Å; D115-K119 VanDerWaalsContact O-CG 3.3Å; D115-K119 WeakPolarHBondContact O-CG 3.34Å; D115-K119 PolarHBondContact O-N 2.97Å; D115-K119 IonicContact OD1-NZ 3.99Å; D115-K119 PolarHBondContact OD1-NZ 3.15Å; D115-K119 IonicContact OD2-NZ 2.68Å; D115-K119 PolarHBondContact OD2-NZ 3.2Å; I116-K119 PolarHBondContact O-N 3.43Å; K119-K122 WeakPolarHBondContact O-CB 3.43Å; K119-K122 PolarHBondContact O-N 2.89Å; K119-H123 PolarHBondContact O-CD2 2.99Å; K119-H123 PolarHBondContact O-N 3.45Å; K119-L265 HydrophobicContact CD-CB 4.47Å; K119-L265 HydrophobicContact CD-CD2 4.15Å; K119-L265 HydrophobicContact CD-CG 4.34Å; K119-L265 HydrophobicContact CG-CD2 4.1Å; K119-K266 HydrophobicContact CD-CB 4.4Å; K119-E269 WeakPolarHBondContact CE-OE1 3.47Å; K119-E269 WeakPolarHBondContact CE-OE2 3.46Å; K119-E269 IonicContact NZ-OE1 2.92Å; K119-E269 PolarHBondContact NZ-OE1 2.98Å; K119-E269 IonicContact NZ-OE2 3.22Å; K119-E269 PolarHBondContact NZ-OE2 3.34Å
120K90.8Very high85Confident39 Ų3964.6 Ų64.617%0.1733%0.333CS..Hα-helixtrans-64.2-41.3176.4-171.1175177.6174.50111.9I116 V117 L118 H123 R124 D255 F258 E259 S262I116-K120 WeakPolarHBondContact O-CB 3.45Å; I116-K120 PolarHBondContact O-N 2.6Å; V117-K120 WeakPolarHBondContact O-CB 3.27Å; V117-K120 PolarHBondContact O-N 2.99Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.85Å; K120-H123 PolarHBondContact O-N 3.31Å; K120-R124 PolarHBondContact O-N 3.46Å; K120-D255 VanDerWaalsContact CE-CG 3.49Å; K120-D255 VanDerWaalsContact CE-O 3.26Å; K120-D255 WeakPolarHBondContact CE-O 3.37Å; K120-D255 WeakPolarHBondContact CE-OD1 3.39Å; K120-D255 PolarHBondContact NZ-O 3.32Å; K120-D255 IonicContact NZ-OD1 2.66Å; K120-D255 PolarHBondContact NZ-OD1 3.1Å; K120-D255 IonicContact NZ-OD2 2.86Å; K120-D255 PolarHBondContact NZ-OD2 3.17Å; K120-F258 HydrophobicContact CG-CB 3.79Å; K120-E259 HydrophobicContact CD-CB 4.49Å; K120-S262 VanDerWaalsContact CA-OG 3.25Å; K120-S262 WeakPolarHBondContact CA-OG 3.48Å; K120-S262 PolarHBondContact N-OG 3.41Å; K120-S262 VanDerWaalsContact N-OG 3.07Å
121V89.6Confident84.9Confident69 Ų6963.3 Ų63.342%0.41834%0.335SS..Hα-helixtrans-62.6-45.5173.3173.70000110.7V117 L118 H123 R124 L125V117-V121 WeakPolarHBondContact O-CG2 3.35Å; V117-V121 PolarHBondContact O-N 3.25Å; L118-V121 PolarHBondContact O-N 2.91Å; V121-H123 VanDerWaalsContact C-N 3.34Å; V121-H123 PolarHBondContact O-N 3.18Å; V121-R124 WeakPolarHBondContact O-CB 3.44Å; V121-R124 PolarHBondContact O-N 3.13Å; V121-R124 VanDerWaalsContact O-N 3.15Å; V121-L125 HydrophobicContact CG1-CD1 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.42Å; V121-L125 WeakPolarHBondContact O-CG 3.36Å; V121-L125 PolarHBondContact O-N 3.03Å
122K88.1Confident84.9Confident55 Ų5565.2 Ų65.224%0.23936%0.355CS..Hα-helixtrans-53.1-51.1174.7-167.7-162.283.7169.90111.1L118 K119 R124 L125 V126 L139L118-K122 PolarHBondContact O-N 3.35Å; K119-K122 WeakPolarHBondContact O-CB 3.43Å; K119-K122 PolarHBondContact O-N 2.89Å; K122-R124 VanDerWaalsContact C-N 3.32Å; K122-R124 PolarHBondContact O-N 2.98Å; K122-L125 PolarHBondContact O-N 3.34Å; K122-V126 HydrophobicContact CG-CG2 4.41Å; K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.26Å; K122-V126 PolarHBondContact O-N 3.43Å; K122-L139 HydrophobicContact CD-CD2 4.3Å; K122-L139 HydrophobicContact CG-CD2 4.02Å
123H86.9Confident84.8Confident8 Ų862.4 Ų62.44%0.03735%0.348CS..Hα-helixtrans-60.5-40.8179.5-72.8-56.8000112.8K119 K120 V121 L125 V126 E127 F258K119-H123 PolarHBondContact O-CD2 2.99Å; K119-H123 PolarHBondContact O-N 3.45Å; K120-H123 PolarHBondContact O-N 3.31Å; V121-H123 VanDerWaalsContact C-N 3.34Å; V121-H123 PolarHBondContact O-N 3.18Å; H123-L125 VanDerWaalsContact C-N 3.35Å; H123-L125 PolarHBondContact O-N 3.42Å; H123-V126 PolarHBondContact O-N 2.84Å; H123-E127 PolarHBondContact O-N 3.25Å; H123-E127 VanDerWaalsContact O-N 3.14Å; H123-F258 HydrophobicContact CB-CB 4.19Å; H123-F258 HydrophobicContact CB-CD1 3.56Å; H123-F258 HydrophobicContact CB-CE1 4.15Å; H123-F258 HydrophobicContact CB-CG 4.02Å
124R84.6Confident84.5Confident125 Ų12560 Ų6047%0.47233%0.332SS..Hα-helixtrans-62.8-39.7177.3-172.9-179.2-67-179.9-2112.6K120 V121 K122 D255 F258K120-R124 PolarHBondContact O-N 3.46Å; V121-R124 WeakPolarHBondContact O-CB 3.44Å; V121-R124 PolarHBondContact O-N 3.13Å; V121-R124 VanDerWaalsContact O-N 3.15Å; K122-R124 VanDerWaalsContact C-N 3.32Å; K122-R124 PolarHBondContact O-N 2.98Å; R124-D255 IonicContact NH2-OD1 3.82Å; R124-D255 PolarHBondContact NH2-OD1 3.34Å; R124-D255 VanDerWaalsContact NH2-OD1 3.13Å; R124-F258 HydrophobicContact CB-CD2 4.2Å; R124-F258 HydrophobicContact CB-CE2 4.05Å; R124-F258 HydrophobicContact CG-CE2 4.21Å
125L83Confident84.2Confident93 Ų9359.1 Ų59.149%0.48733%0.327SS..Hα-helixtrans-69.5-46178.8-68.4174.4000111.6V121 K122 H123 E127 N128 M129V121-L125 HydrophobicContact CG1-CD1 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.42Å; V121-L125 WeakPolarHBondContact O-CG 3.36Å; V121-L125 PolarHBondContact O-N 3.03Å; K122-L125 PolarHBondContact O-N 3.34Å; H123-L125 VanDerWaalsContact C-N 3.35Å; H123-L125 PolarHBondContact O-N 3.42Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 2.89Å; L125-N128 PolarHBondContact O-N 2.78Å; L125-M129 HydrophobicContact CB-CE 4.28Å; L125-M129 WeakPolarHBondContact O-CG 3.42Å
126V82.5Confident83.8Confident3 Ų360.9 Ų60.92%0.01835%0.349CS..Hα-helixtrans-66.1-32.9-176.5174.90000112.5K122 H123 N128 M129 A134 L139 R141K122-V126 HydrophobicContact CG-CG2 4.41Å; K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.26Å; K122-V126 PolarHBondContact O-N 3.43Å; H123-V126 PolarHBondContact O-N 2.84Å; V126-N128 PolarHBondContact O-N 3.05Å; V126-M129 PolarHBondContact O-N 3.11Å; V126-M129 VanDerWaalsContact O-N 3.15Å; V126-A134 HydrophobicContact CG1-CB 4.28Å; V126-L139 HydrophobicContact CG2-CB 3.56Å; V126-L139 HydrophobicContact CG2-CD1 3.73Å; V126-L139 HydrophobicContact CG2-CG 4.17Å; V126-R141 HydrophobicContact CG1-CG 3.53Å
127E76.4Confident83.3Confident25 Ų2565.5 Ų65.512%0.11737%0.374CS..Hα-helixtrans-62.1-31.7-179.6-161.582.3155.500112.3H123 L125 C145 V150 K257 F258H123-E127 PolarHBondContact O-N 3.25Å; H123-E127 VanDerWaalsContact O-N 3.14Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 2.89Å; E127-C145 PolarHBondContact OE2-SG 3.23Å; E127-V150 HydrophobicContact CG-CG2 4.42Å; E127-K257 IonicContact OE1-NZ 2.88Å; E127-K257 PolarHBondContact OE1-NZ 3.42Å; E127-F258 HydrophobicContact CB-CE1 4.18Å; E127-F258 HydrophobicContact CB-CZ 3.87Å; E127-F258 HydrophobicContact CG-CE1 4.3Å; E127-F258 HydrophobicContact CG-CZ 4.02Å
128N72.5Confident82.6Confident143 Ų14364.8 Ų64.877%0.76538%0.382SS*.THydrogen-bonded Turntrans-90.82.8180-65.9-18.5000113.5L125 V126L125-N128 PolarHBondContact O-N 2.78Å; V126-N128 PolarHBondContact O-N 3.05Å
129M76.3Confident81.9Confident58 Ų5861.9 Ų61.929%0.28637%0.366SS..SBendtrans-101.2157-177.6-70.3176.9-177.700111.3L125 V126 L137 L139 R141L125-M129 HydrophobicContact CB-CE 4.28Å; L125-M129 WeakPolarHBondContact O-CG 3.42Å; V126-M129 PolarHBondContact O-N 3.11Å; V126-M129 VanDerWaalsContact O-N 3.15Å; M129-L137 HydrophobicContact CE-CD1 4.26Å; M129-L137 HydrophobicContact SD-CD1 4.03Å; M129-L139 HydrophobicContact SD-CD1 4.27Å; M129-R141 PolarHBondContact O-NH2 3.01Å
130S78.6Confident80.9Confident65 Ų6565.2 Ų65.246%0.45539%0.392SS..  trans-71.3159.9167.585.70000110.8T133 A134 R141S130-T133 PolarHBondContact O-N 3.35Å; S130-T133 WeakPolarHBondContact OG-CB 3.37Å; S130-T133 PolarHBondContact OG-N 3.39Å; S130-T133 VanDerWaalsContact OG-N 3.09Å; S130-T133 PolarHBondContact OG-OG1 2.92Å; S130-A134 WeakPolarHBondContact O-CB 3.16Å; S130-A134 PolarHBondContact O-N 2.85Å; S130-R141 PolarHBondContact O-NH2 3.5Å
131S76.3Confident79.9Confident76 Ų7668.2 Ų68.253%0.53140%0.402SS..Hα-helixtrans-60.9-49.4179.246.40000110.8T133 A134 D135 R141S131-T133 VanDerWaalsContact C-N 3.31Å; S131-T133 PolarHBondContact O-N 2.98Å; S131-A134 PolarHBondContact O-N 2.57Å; S131-A134 VanDerWaalsContact O-N 3.17Å; S131-D135 VanDerWaalsContact O-CG 3.25Å; S131-D135 PolarHBondContact O-N 3.3Å; S131-R141 VanDerWaalsContact CA-NH2 3.31Å
132G80.3Confident78.7Confident45 Ų4565.9 Ų65.946%0.46439%0.39SS..Hα-helixtrans-59.9-37.4177.800000113.6A136G132-A136 WeakPolarHBondContact O-CB 3.38Å; G132-A136 PolarHBondContact O-N 2.99Å
133T81.9Confident77.2Confident68 Ų6871.5 Ų71.542%0.41742%0.421SS..Hα-helixtrans-68.4-42.4176.2-51.30000111.9S130 S131 D135 A136 L137S130-T133 PolarHBondContact O-N 3.35Å; S130-T133 WeakPolarHBondContact OG-CB 3.37Å; S130-T133 PolarHBondContact OG-N 3.39Å; S130-T133 VanDerWaalsContact OG-N 3.09Å; S130-T133 PolarHBondContact OG-OG1 2.92Å; S131-T133 VanDerWaalsContact C-N 3.31Å; S131-T133 PolarHBondContact O-N 2.98Å; T133-D135 VanDerWaalsContact C-N 3.35Å; T133-A136 PolarHBondContact O-N 3.03Å; T133-L137 HydrophobicContact CG2-CD1 4.35Å; T133-L137 WeakPolarHBondContact O-CG 3.48Å; T133-L137 PolarHBondContact O-N 2.85Å; T133-L137 VanDerWaalsContact O-N 3.16Å
134A82.8Confident75.8Confident0 Ų074.3 Ų74.30%044%0.436CS..Hα-helixtrans-64.2-42.4178.100000111.2V126 S130 S131 L137 G138 L139V126-A134 HydrophobicContact CG1-CB 4.28Å; S130-A134 WeakPolarHBondContact O-CB 3.16Å; S130-A134 PolarHBondContact O-N 2.85Å; S131-A134 PolarHBondContact O-N 2.57Å; S131-A134 VanDerWaalsContact O-N 3.17Å; A134-L137 CarbonylContact O-C 3.58Å; A134-L137 PolarHBondContact O-N 3.34Å; A134-G138 PolarHBondContact O-N 2.94Å; A134-G138 VanDerWaalsContact O-N 3.15Å; A134-L139 HydrophobicContact CB-CB 4.5Å; A134-L139 PolarHBondContact O-N 3.47Å
135D81.2Confident74.2Confident111 Ų11169.2 Ų69.259%0.59442%0.42SS*.Hα-helixtrans-65.2-41.2177.7-64.9-23.8000111.5S131 T133 L137 G138S131-D135 VanDerWaalsContact O-CG 3.25Å; S131-D135 PolarHBondContact O-N 3.3Å; T133-D135 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 2.95Å; D135-G138 PolarHBondContact O-N 3.21Å
136A82.8Confident72.9Confident88 Ų8872.7 Ų72.773%0.72744%0.438SS*.Hα-helixtrans-61.9-29.4175.100000113.2G132 T133G132-A136 WeakPolarHBondContact O-CB 3.38Å; G132-A136 PolarHBondContact O-N 2.99Å; T133-A136 PolarHBondContact O-N 3.03Å
137L81.1Confident72.2Confident107 Ų10773.3 Ų73.356%0.5644%0.442SS*.THydrogen-bonded Turntrans-90.11.9175.2-64.9175.8000113.2M129 T133 A134 D135 L139M129-L137 HydrophobicContact CE-CD1 4.26Å; M129-L137 HydrophobicContact SD-CD1 4.03Å; T133-L137 HydrophobicContact CG2-CD1 4.35Å; T133-L137 WeakPolarHBondContact O-CG 3.48Å; T133-L137 PolarHBondContact O-N 2.85Å; T133-L137 VanDerWaalsContact O-N 3.16Å; A134-L137 CarbonylContact O-C 3.58Å; A134-L137 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact O-N 2.95Å; L137-L139 HydrophobicContact CB-CD1 4.09Å; L137-L139 HydrophobicContact CB-CG 4.01Å; L137-L139 HydrophobicContact CD1-CD1 4.33Å; L137-L139 PolarHBondContact O-N 3.43Å
138G76.8Confident72Confident63 Ų6374.4 Ų74.465%0.64946%0.459SS*.THydrogen-bonded Turntrans67.919.7-177.100000114.2A134 D135 S140A134-G138 PolarHBondContact O-N 2.94Å; A134-G138 VanDerWaalsContact O-N 3.15Å; D135-G138 PolarHBondContact O-N 3.21Å; G138-S140 PolarHBondContact O-N 3.47Å
139L77.1Confident72Confident43 Ų4367.8 Ų67.823%0.22542%0.424CS..  trans-93.298.5-176.7-62.9176.8000111.2K122 V126 M129 A134 L137 R141K122-L139 HydrophobicContact CD-CD2 4.3Å; K122-L139 HydrophobicContact CG-CD2 4.02Å; V126-L139 HydrophobicContact CG2-CB 3.56Å; V126-L139 HydrophobicContact CG2-CD1 3.73Å; V126-L139 HydrophobicContact CG2-CG 4.17Å; M129-L139 HydrophobicContact SD-CD1 4.27Å; A134-L139 HydrophobicContact CB-CB 4.5Å; A134-L139 PolarHBondContact O-N 3.47Å; L137-L139 HydrophobicContact CB-CD1 4.09Å; L137-L139 HydrophobicContact CB-CG 4.01Å; L137-L139 HydrophobicContact CD1-CD1 4.33Å; L137-L139 PolarHBondContact O-N 3.43Å; L139-R141 PolarHBondContact O-N 2.9Å
140S69.5Low71.8Confident86 Ų8666.6 Ų66.660%0.60142%0.42SS*.PPolyproline II helixtrans-66.4131.9176.4-44.10000112.6G138G138-S140 PolarHBondContact O-N 3.47Å
141R70.3Confident71.8Confident101 Ų10169.8 Ų69.838%0.38143%0.426SS..PPolyproline II helixtrans-74.6146.5172-71.8-179-167.7-125.8-10.9111.7V126 M129 S130 S131 L139V126-R141 HydrophobicContact CG1-CG 3.53Å; M129-R141 PolarHBondContact O-NH2 3.01Å; S130-R141 PolarHBondContact O-NH2 3.5Å; S131-R141 VanDerWaalsContact CA-NH2 3.31Å; L139-R141 PolarHBondContact O-N 2.9Å
142A64.8Low71.8Confident21 Ų2172 Ų7217%0.17442%0.422CS..PPolyproline II helixtrans-75.7145.1168.700000110.1L144 C145 L261A142-L144 PolarHBondContact O-N 3.47Å; A142-L144 VanDerWaalsContact O-N 3.1Å; A142-C145 WeakPolarHBondContact O-CB 3.45Å; A142-C145 PolarHBondContact O-N 3.02Å; A142-C145 PolarHBondContact O-SG 3.31Å; A142-L261 HydrophobicContact CB-CD1 3.92Å; A142-L261 HydrophobicContact CB-CD2 4.05Å; A142-L261 HydrophobicContact CB-CG 4.4Å
143I55.8Low71.7Confident173 Ų17371.1 Ų71.189%0.88741%0.407SS*.G310 helixtrans-58.3-27.8179.8-65168000112C145I143-C145 PolarHBondContact O-N 3.37Å
144L56.6Low71.7Confident67 Ų6772.7 Ų72.735%0.35141%0.409SS..G310 helixtrans-80.18.6177.2-116.9103.8000114.5A142 N146 K257 L261 F308A142-L144 PolarHBondContact O-N 3.47Å; A142-L144 VanDerWaalsContact O-N 3.1Å; L144-N146 VanDerWaalsContact C-N 3.28Å; L144-N146 PolarHBondContact O-N 3.47Å; L144-K257 WeakPolarHBondContact O-CE 3.06Å; L144-L261 HydrophobicContact CB-CD2 3.63Å; L144-L261 HydrophobicContact CD2-CD2 4.48Å; L144-L261 HydrophobicContact CG-CD2 4.47Å; L144-F308 HydrophobicContact CD2-CE1 3.68Å; L144-F308 HydrophobicContact CD2-CE2 4.42Å; L144-F308 HydrophobicContact CD2-CZ 3.46Å; L144-F308 VanDerWaalsContact CD2-CZ 3.46Å
145C52.4Low71.7Confident18 Ų1876.1 Ų76.112%0.12243%0.426CS..G310 helixtrans-70.7-17179.6-78.70000114E127 A142 I143 D147E127-C145 PolarHBondContact OE2-SG 3.23Å; A142-C145 WeakPolarHBondContact O-CB 3.45Å; A142-C145 PolarHBondContact O-N 3.02Å; A142-C145 PolarHBondContact O-SG 3.31Å; I143-C145 PolarHBondContact O-N 3.37Å; C145-D147 PolarHBondContact O-N 3.01Å
146N56Low71.8Confident165 Ų16571.5 Ų71.588%0.88240%0.401SS*.  trans-83.352.3175.8-77.7-7.8000112.6L144L144-N146 VanDerWaalsContact C-N 3.28Å; L144-N146 PolarHBondContact O-N 3.47Å
147D67.8Low71.9Confident17 Ų1771.2 Ų71.29%0.09139%0.385CS..  trans-93.7114.5174.1-175.915.2000109.9C145 L149 V150 Y253C145-D147 PolarHBondContact O-N 3.01Å; D147-L149 PolarHBondContact O-N 3.42Å; D147-L149 PolarHBondContact OD1-N 3.23Å; D147-V150 PolarHBondContact O-N 2.95Å; D147-Y253 WeakPolarHBondContact OD2-CE1 3.42Å; D147-Y253 PolarHBondContact OD2-OH 2.93Å
148G70.6Confident72.2Confident47 Ų4773.3 Ų73.349%0.48539%0.389SS..THydrogen-bonded Turntrans-61.1-9.8-177.800000114.4V150 K151 R152G148-V150 VanDerWaalsContact C-N 3.29Å; G148-V150 PolarHBondContact O-N 3.21Å; G148-K151 WeakPolarHBondContact O-CB 3.3Å; G148-K151 PolarHBondContact O-N 3.47Å; G148-R152 WeakPolarHBondContact O-CG 3.43Å; G148-R152 PolarHBondContact O-N 2.9Å
149L74.3Confident72.6Confident4 Ų472.4 Ų72.42%0.02137%0.371CS..Hα-helixtrans-63.3-29.4177.4-72.6176.1000113.9D147 R152 L153 Y253 R312 V315 L316 I319D147-L149 PolarHBondContact O-N 3.42Å; D147-L149 PolarHBondContact OD1-N 3.23Å; L149-R152 PolarHBondContact O-N 2.88Å; L149-L153 PolarHBondContact O-N 3.41Å; L149-Y253 HydrophobicContact CB-CE1 4.22Å; L149-Y253 HydrophobicContact CD1-CD1 3.86Å; L149-Y253 HydrophobicContact CD1-CE1 3.34Å; L149-Y253 HydrophobicContact CD1-CE2 4.26Å; L149-Y253 HydrophobicContact CD1-CG 4.48Å; L149-Y253 HydrophobicContact CG-CE1 4.4Å; L149-R312 HydrophobicContact CD1-CG 4.36Å; L149-V315 HydrophobicContact CD1-CB 4.5Å; L149-V315 HydrophobicContact CD1-CG1 4.05Å; L149-V315 HydrophobicContact CD2-CG1 3.79Å; L149-L316 HydrophobicContact CD2-CD2 3.8Å; L149-L316 HydrophobicContact CD2-CG 4.42Å; L149-I319 HydrophobicContact CD2-CD1 3.61Å
150V71.8Confident73.1Confident34 Ų3470.8 Ų70.821%0.20636%0.364CS..Hα-helixtrans-67.2-45.4173.6177.70000110.3E127 D147 G148 R152 L153 E154 L254E127-V150 HydrophobicContact CG-CG2 4.42Å; D147-V150 PolarHBondContact O-N 2.95Å; G148-V150 VanDerWaalsContact C-N 3.29Å; G148-V150 PolarHBondContact O-N 3.21Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.66Å; V150-L153 VanDerWaalsContact O-CB 3.32Å; V150-L153 WeakPolarHBondContact O-CB 3Å; V150-L153 PolarHBondContact O-N 2.91Å; V150-E154 PolarHBondContact O-N 2.96Å; V150-L254 HydrophobicContact CG2-CD2 4.13Å
151K77.1Confident74Confident132 Ų13272.5 Ų72.557%0.57436%0.362SS*.Hα-helixtrans-59.9-40.2174.1-172.5-177.8177.1-173.90111.6G148 L153 E154 E155G148-K151 WeakPolarHBondContact O-CB 3.3Å; G148-K151 PolarHBondContact O-N 3.47Å; K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 2.99Å; K151-E154 PolarHBondContact O-N 3.39Å; K151-E155 VanDerWaalsContact CE-OE1 3.29Å; K151-E155 WeakPolarHBondContact CE-OE1 3.4Å; K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 2.94Å
152R77Confident74.8Confident122 Ų12273.3 Ų73.346%0.4637%0.374SS..Hα-helixtrans-62.7-35.5174.2-67.9-65.2-171.4150.31.7112.7G148 L149 V150 E155 L156 I319 D323G148-R152 WeakPolarHBondContact O-CG 3.43Å; G148-R152 PolarHBondContact O-N 2.9Å; L149-R152 PolarHBondContact O-N 2.88Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.66Å; R152-E155 WeakPolarHBondContact CD-OE2 3.45Å; R152-E155 PolarHBondContact O-N 3.36Å; R152-L156 WeakPolarHBondContact O-CB 3.43Å; R152-L156 PolarHBondContact O-N 3.4Å; R152-I319 HydrophobicContact CB-CD1 4.25Å; R152-D323 IonicContact NH1-OD2 3.57Å
153L79.1Confident75.9Confident27 Ų2773 Ų7314%0.14137%0.368CS..Hα-helixtrans-65.8-43.3174.2-176.568.6000111.7L149 V150 K151 L156 E157 K247 I250L149-L153 PolarHBondContact O-N 3.41Å; V150-L153 VanDerWaalsContact O-CB 3.32Å; V150-L153 WeakPolarHBondContact O-CB 3Å; V150-L153 PolarHBondContact O-N 2.91Å; K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 2.99Å; L153-L156 WeakPolarHBondContact O-CB 3.4Å; L153-L156 PolarHBondContact O-N 3.49Å; L153-E157 PolarHBondContact O-N 2.88Å; L153-K247 HydrophobicContact CD1-CB 4.41Å; L153-K247 HydrophobicContact CD1-CG 3.9Å; L153-I250 HydrophobicContact CB-CD1 4.36Å; L153-I250 HydrophobicContact CB-CG2 4.28Å; L153-I250 HydrophobicContact CD1-CB 4.24Å; L153-I250 HydrophobicContact CD1-CD1 3.73Å; L153-I250 HydrophobicContact CD1-CG2 4.08Å; L153-I250 HydrophobicContact CD2-CG2 4.13Å; L153-I250 HydrophobicContact CG-CG2 4.4Å
154E81Confident77.5Confident100 Ų10068.9 Ų68.947%0.46734%0.344SS..Hα-helixtrans-63.3-41.2175.2-67.6175.9-176.400111.9V150 K151 E157 K158V150-E154 PolarHBondContact O-N 2.96Å; K151-E154 PolarHBondContact O-N 3.39Å; E154-E157 WeakPolarHBondContact O-CB 3.45Å; E154-E157 PolarHBondContact O-N 3.24Å; E154-K158 WeakPolarHBondContact O-CG 3.13Å; E154-K158 PolarHBondContact O-N 3.03Å
155E82.9Confident79.2Confident72 Ų7266.9 Ų66.934%0.33634%0.339SS..Hα-helixtrans-61.5-44.6173.8-73.8169.2-173.600111K151 R152 E157 K158 T159K151-E155 VanDerWaalsContact CE-OE1 3.29Å; K151-E155 WeakPolarHBondContact CE-OE1 3.4Å; K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 2.94Å; R152-E155 WeakPolarHBondContact CD-OE2 3.45Å; R152-E155 PolarHBondContact O-N 3.36Å; E155-E157 VanDerWaalsContact C-N 3.25Å; E155-E157 PolarHBondContact O-N 3.46Å; E155-K158 PolarHBondContact O-N 2.94Å; E155-T159 PolarHBondContact O-N 3Å; E155-T159 PolarHBondContact O-OG1 2.66Å
156L83.4Confident80.9Confident15 Ų1568.5 Ų68.58%0.07935%0.346CS..Hα-helixtrans-61.2-34.6175.3-173.466.8000112.2R152 L153 A160 I243 T246 K247 L322R152-L156 WeakPolarHBondContact O-CB 3.43Å; R152-L156 PolarHBondContact O-N 3.4Å; L153-L156 WeakPolarHBondContact O-CB 3.4Å; L153-L156 PolarHBondContact O-N 3.49Å; L156-A160 WeakPolarHBondContact O-CB 3.4Å; L156-A160 PolarHBondContact O-N 3.41Å; L156-I243 HydrophobicContact CD1-CG1 4.24Å; L156-I243 HydrophobicContact CD2-CG2 4.28Å; L156-I243 HydrophobicContact CG-CG2 4.14Å; L156-T246 HydrophobicContact CD2-CG2 3.94Å; L156-K247 HydrophobicContact CD2-CG 4.01Å; L156-L322 HydrophobicContact CD1-CD2 3.56Å; L156-L322 HydrophobicContact CD2-CD2 4.44Å
157E85.1Confident82.5Confident82 Ų8261.2 Ų61.238%0.38331%0.307SS..Hα-helixtrans-67.3-45.8175.1-88.5177.9175.400113.3L153 E154 E155 T159 A160 E161 K247L153-E157 PolarHBondContact O-N 2.88Å; E154-E157 WeakPolarHBondContact O-CB 3.45Å; E154-E157 PolarHBondContact O-N 3.24Å; E155-E157 VanDerWaalsContact C-N 3.25Å; E155-E157 PolarHBondContact O-N 3.46Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.39Å; E157-A160 WeakPolarHBondContact O-CB 3.42Å; E157-A160 PolarHBondContact O-N 2.92Å; E157-A160 VanDerWaalsContact O-N 3.17Å; E157-E161 PolarHBondContact O-N 3.26Å; E157-E161 VanDerWaalsContact O-N 3.1Å; E157-K247 IonicContact OE1-NZ 2.78Å; E157-K247 PolarHBondContact OE1-NZ 3.46Å
158K87.1Confident83.7Confident150 Ų15064 Ų6465%0.65232%0.32SS*.Hα-helixtrans-60.8-42.7174.5-69.6171.6-176.3172.90111.2E154 E155 A160 E161 L162E154-K158 WeakPolarHBondContact O-CG 3.13Å; E154-K158 PolarHBondContact O-N 3.03Å; E155-K158 PolarHBondContact O-N 2.94Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.22Å; K158-E161 PolarHBondContact O-N 3.34Å; K158-L162 PolarHBondContact O-N 2.97Å; K158-L162 VanDerWaalsContact O-N 3.08Å
159T84.4Confident84.8Confident44 Ų4467.6 Ų67.627%0.2732%0.324SS..Hα-helixtrans-61.5-43174.8-57.50000110.9E155 E157 E161 L162 Y163E155-T159 PolarHBondContact O-N 3Å; E155-T159 PolarHBondContact O-OG1 2.66Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.39Å; T159-E161 VanDerWaalsContact C-N 3.34Å; T159-E161 PolarHBondContact O-N 3.27Å; T159-L162 PolarHBondContact O-N 3.47Å; T159-Y163 HydrophobicContact CG2-CD2 3.81Å; T159-Y163 HydrophobicContact CG2-CE2 3.75Å; T159-Y163 WeakPolarHBondContact O-CD2 3.34Å; T159-Y163 PolarHBondContact O-N 3.48Å
160A87.6Confident85.7Confident10 Ų1067.9 Ų67.98%0.08333%0.325CS..Hα-helixtrans-57.8-44.4177.200000112.8L156 E157 K158 Y163 K164 L239 I243L156-A160 WeakPolarHBondContact O-CB 3.4Å; L156-A160 PolarHBondContact O-N 3.41Å; E157-A160 WeakPolarHBondContact O-CB 3.42Å; E157-A160 PolarHBondContact O-N 2.92Å; E157-A160 VanDerWaalsContact O-N 3.17Å; K158-A160 VanDerWaalsContact C-N 3.34Å; K158-A160 PolarHBondContact O-N 3.22Å; A160-Y163 PolarHBondContact O-N 2.71Å; A160-K164 WeakPolarHBondContact O-CB 3.12Å; A160-K164 PolarHBondContact O-N 2.91Å; A160-L239 HydrophobicContact CB-CD1 4.08Å; A160-L239 VanDerWaalsContact O-CD1 3.32Å; A160-L239 WeakPolarHBondContact O-CD1 3.4Å; A160-I243 HydrophobicContact CB-CD1 3.65Å; A160-I243 HydrophobicContact CB-CG2 4.17Å
161E89.8Confident86.7Confident121 Ų12171 Ų7157%0.56534%0.336SS*.Hα-helixtrans-65.7-41.5178.3-73.2-58.8151.800112.4E157 K158 T159 Y163 K164 G165E157-E161 PolarHBondContact O-N 3.26Å; E157-E161 VanDerWaalsContact O-N 3.1Å; K158-E161 PolarHBondContact O-N 3.34Å; T159-E161 VanDerWaalsContact C-N 3.34Å; T159-E161 PolarHBondContact O-N 3.27Å; E161-Y163 VanDerWaalsContact C-N 3.28Å; E161-Y163 PolarHBondContact O-N 3.07Å; E161-K164 WeakPolarHBondContact O-CB 3.17Å; E161-K164 PolarHBondContact O-N 3.26Å; E161-G165 PolarHBondContact O-N 2.94Å
162L87.2Confident87.6Confident118 Ų11872.3 Ų72.362%0.61834%0.338SS*.Hα-helixtrans-58.4-42.7174.6-178.2141.2000111.6K158 T159 G165 L166K158-L162 PolarHBondContact O-N 2.97Å; K158-L162 VanDerWaalsContact O-N 3.08Å; T159-L162 PolarHBondContact O-N 3.47Å; L162-G165 PolarHBondContact O-N 3.38Å; L162-L166 PolarHBondContact O-N 2.92Å
163Y86.2Confident88.4Confident14 Ų1469.4 Ų69.46%0.05533%0.331CS..Hα-helixtrans-69.8-36.7179.4-87.8-105.4000113T159 A160 E161 G165 L166 M167 L235 Y238 H326 I330T159-Y163 HydrophobicContact CG2-CD2 3.81Å; T159-Y163 HydrophobicContact CG2-CE2 3.75Å; T159-Y163 WeakPolarHBondContact O-CD2 3.34Å; T159-Y163 PolarHBondContact O-N 3.48Å; A160-Y163 PolarHBondContact O-N 2.71Å; E161-Y163 VanDerWaalsContact C-N 3.28Å; E161-Y163 PolarHBondContact O-N 3.07Å; Y163-G165 VanDerWaalsContact C-N 3.34Å; Y163-L166 PolarHBondContact O-N 2.92Å; Y163-M167 WeakPolarHBondContact O-CB 3.21Å; Y163-M167 PolarHBondContact O-N 3.4Å; Y163-L235 HydrophobicContact CD1-CD2 3.62Å; Y163-L235 HydrophobicContact CE1-CD2 3.65Å; Y163-Y238 AromaticContact CD1-CD1 3.74Å; Y163-Y238 HydrophobicContact CD1-CD1 3.74Å; Y163-Y238 HydrophobicContact CD1-CE1 4.11Å; Y163-Y238 HydrophobicContact CD2-CE1 4.46Å; Y163-Y238 AromaticContact CE1-CD1 3.98Å; Y163-Y238 HydrophobicContact CE1-CD1 3.98Å; Y163-Y238 HydrophobicContact CE1-CE1 4.16Å; Y163-Y238 HydrophobicContact CG-CD1 4.2Å; Y163-Y238 HydrophobicContact CG-CE1 4.26Å; Y163-H326 AromaticContact CE1-CE1 3.99Å; Y163-H326 AromaticContact CE2-CE1 3.26Å; Y163-H326 WeakPolarHBondContact CE2-CE1 3.47Å; Y163-H326 AromaticContact CZ-CE1 3.08Å; Y163-H326 AromaticContact CZ-ND1 3.69Å; Y163-H326 AromaticContact CZ-NE2 3.95Å; Y163-H326 PolarHBondContact OH-CE1 3.15Å; Y163-H326 PolarHBondContact OH-ND1 3.49Å; Y163-H326 PolarHBondContact OH-NE2 3.43Å; Y163-I330 HydrophobicContact CE1-CD1 3.8Å; Y163-I330 HydrophobicContact CE1-CG1 4.49Å; Y163-I330 VanDerWaalsContact OH-CB 3.25Å; Y163-I330 WeakPolarHBondContact OH-CB 3.38Å; Y163-I330 WeakPolarHBondContact OH-CD1 3.48Å; Y163-I330 WeakPolarHBondContact OH-CG1 3.49Å
164K90.9Very high89.1Confident88 Ų8869.1 Ų69.138%0.38333%0.329SS..Hα-helixtrans-60-47.2172-174.4-175.4173.1-167.20110.6A160 E161 M167 E168 L239A160-K164 WeakPolarHBondContact O-CB 3.12Å; A160-K164 PolarHBondContact O-N 2.91Å; E161-K164 WeakPolarHBondContact O-CB 3.17Å; E161-K164 PolarHBondContact O-N 3.26Å; K164-M167 PolarHBondContact O-N 3Å; K164-E168 WeakPolarHBondContact O-CG 2.97Å; K164-E168 PolarHBondContact O-N 3.06Å; K164-L239 HydrophobicContact CB-CD2 3.94Å; K164-L239 HydrophobicContact CG-CD2 4.28Å
165G91.9Very high89.8Confident24 Ų2472.5 Ų72.525%0.24734%0.338CS..Hα-helixtrans-58.1-49.8174.100000112.3E161 L162 Y163 M167 E168 H169E161-G165 PolarHBondContact O-N 2.94Å; L162-G165 PolarHBondContact O-N 3.38Å; Y163-G165 VanDerWaalsContact C-N 3.34Å; G165-M167 VanDerWaalsContact C-N 3.32Å; G165-M167 PolarHBondContact O-N 3.45Å; G165-E168 PolarHBondContact O-N 3.47Å; G165-H169 PolarHBondContact O-CD2 2.92Å; G165-H169 PolarHBondContact O-N 3.41Å
166L88.3Confident90.4Very high52 Ų5271.5 Ų71.527%0.27234%0.342SS..Hα-helixtrans-56.6-44.8177.9-177.864000112.2L162 Y163 T170 L235 I330L162-L166 PolarHBondContact O-N 2.92Å; Y163-L166 PolarHBondContact O-N 2.92Å; L166-T170 VanDerWaalsContact O-CB 3.3Å; L166-T170 WeakPolarHBondContact O-CB 3.18Å; L166-T170 PolarHBondContact O-N 2.86Å; L166-T170 PolarHBondContact O-OG1 2.84Å; L166-L235 HydrophobicContact CD2-CD1 4.19Å; L166-L235 HydrophobicContact CD2-CD2 4.29Å; L166-L235 HydrophobicContact CG-CD1 4.3Å; L166-I330 HydrophobicContact CD2-CD1 4.05Å
167M90.1Very high91Very high12 Ų1271.6 Ų71.66%0.05934%0.341CS..Hα-helixtrans-63.4-44.2177.4-177.3-172.657.600111.8Y163 K164 G165 T170 K171 L232 N236 L239Y163-M167 WeakPolarHBondContact O-CB 3.21Å; Y163-M167 PolarHBondContact O-N 3.4Å; K164-M167 PolarHBondContact O-N 3Å; G165-M167 VanDerWaalsContact C-N 3.32Å; G165-M167 PolarHBondContact O-N 3.45Å; M167-T170 PolarHBondContact O-N 3.25Å; M167-K171 HydrophobicContact CG-CD 4.37Å; M167-K171 WeakPolarHBondContact O-CG 3.15Å; M167-K171 PolarHBondContact O-N 2.73Å; M167-L232 HydrophobicContact CG-CD2 4.03Å; M167-N236 HydrophobicContact SD-CB 4.26Å; M167-L239 HydrophobicContact CE-CD2 3.97Å
168E93Very high91.5Very high76 Ų7672.1 Ų72.136%0.35534%0.343SS..Hα-helixtrans-63.8-45.7178.3-75.5-178.3-16400112.1K164 G165 K171 R172K164-E168 WeakPolarHBondContact O-CG 2.97Å; K164-E168 PolarHBondContact O-N 3.06Å; G165-E168 PolarHBondContact O-N 3.47Å; E168-K171 PolarHBondContact O-N 3.37Å; E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 3.49Å
169H93.2Very high92Very high123 Ų12369.5 Ų69.557%0.56933%0.333SS*.Hα-helixtrans-64.1-42.8177-73.2-63.6000112G165 K171 R172 L173G165-H169 PolarHBondContact O-CD2 2.92Å; G165-H169 PolarHBondContact O-N 3.41Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 2.99Å; H169-R172 PolarHBondContact O-N 3.16Å; H169-L173 WeakPolarHBondContact O-CB 3.49Å; H169-L173 PolarHBondContact O-N 3.07Å
170T91.8Very high92.6Very high9 Ų970.8 Ų70.86%0.05534%0.338CS..Hα-helixtrans-60.8-41.6176-57.60000111.2L166 M167 L173 L174 I228 M231 L232L166-T170 VanDerWaalsContact O-CB 3.3Å; L166-T170 WeakPolarHBondContact O-CB 3.18Å; L166-T170 PolarHBondContact O-N 2.86Å; L166-T170 PolarHBondContact O-OG1 2.84Å; M167-T170 PolarHBondContact O-N 3.25Å; T170-L173 PolarHBondContact O-N 2.85Å; T170-L174 HydrophobicContact CG2-CD1 4.31Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.38Å; T170-I228 HydrophobicContact CG2-CG2 4.19Å; T170-M231 HydrophobicContact CG2-CE 3.72Å; T170-L232 HydrophobicContact CG2-CD2 3.62Å; T170-L232 HydrophobicContact CG2-CG 4.23Å
171K93.8Very high92.9Very high99 Ų9970.4 Ų70.443%0.4333%0.334SS..Hα-helixtrans-61-45.4175.3-77.4172.1-177.8173.80112M167 E168 H169 L174 R175 L232M167-K171 HydrophobicContact CG-CD 4.37Å; M167-K171 WeakPolarHBondContact O-CG 3.15Å; M167-K171 PolarHBondContact O-N 2.73Å; E168-K171 PolarHBondContact O-N 3.37Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 2.99Å; K171-L174 PolarHBondContact O-N 3.24Å; K171-R175 PolarHBondContact O-N 3.13Å; K171-L232 HydrophobicContact CG-CD1 3.62Å; K171-L232 HydrophobicContact CG-CD2 3.79Å; K171-L232 HydrophobicContact CG-CG 4.37Å
172R95.5Very high93.3Very high161 Ų16168.4 Ų68.461%0.60833%0.325SS*.Hα-helixtrans-63.7-42.8177.7-68.8179-167.6-178.57111.4E168 H169 R175 A176E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 3.49Å; H169-R172 PolarHBondContact O-N 3.16Å; R172-R175 PolarHBondContact O-N 3.43Å; R172-A176 PolarHBondContact O-N 3.37Å
173L93.6Very high93.7Very high61 Ų6166.3 Ų66.332%0.31932%0.317SS..Hα-helixtrans-60.2-49.1177-174.666.2000111.5H169 T170 R175 A176 F177 F337H169-L173 WeakPolarHBondContact O-CB 3.49Å; H169-L173 PolarHBondContact O-N 3.07Å; T170-L173 PolarHBondContact O-N 2.85Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 3.01Å; L173-A176 PolarHBondContact O-N 3.13Å; L173-A176 VanDerWaalsContact O-N 3.16Å; L173-F177 HydrophobicContact CD1-CD2 3.88Å; L173-F177 HydrophobicContact CD1-CE2 3.67Å; L173-F177 HydrophobicContact CG-CD2 3.92Å; L173-F177 HydrophobicContact CG-CE2 4.01Å; L173-F177 WeakPolarHBondContact O-CD2 3.33Å; L173-F177 PolarHBondContact O-N 2.85Å; L173-F337 HydrophobicContact CD2-CE2 3.59Å; L173-F337 HydrophobicContact CD2-CZ 3.61Å
174L93.7Very high94.2Very high20 Ų2067 Ų6711%0.10532%0.32CS..Hα-helixtrans-60.4-37.8177.2-72.1177.8000112.4T170 K171 F178 L225 I228 L232T170-L174 HydrophobicContact CG2-CD1 4.31Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.38Å; K171-L174 PolarHBondContact O-N 3.24Å; L174-F178 WeakPolarHBondContact O-CB 3.47Å; L174-F178 PolarHBondContact O-N 2.65Å; L174-L225 HydrophobicContact CB-CD2 4.03Å; L174-L225 HydrophobicContact CD2-CD2 3.5Å; L174-L225 VanDerWaalsContact CD2-CD2 3.5Å; L174-L225 HydrophobicContact CG-CD2 4.39Å; L174-L225 WeakPolarHBondContact O-CD2 3.1Å; L174-I228 HydrophobicContact CD1-CG2 4.15Å; L174-I228 HydrophobicContact CD2-CB 3.83Å; L174-I228 HydrophobicContact CD2-CG2 3.64Å; L174-I228 HydrophobicContact CG-CG2 4.16Å; L174-L232 HydrophobicContact CD1-CD1 3.71Å; L174-L232 HydrophobicContact CD1-CG 4.24Å
175R95.8Very high94.5Very high172 Ų17269 Ų6965%0.64933%0.326SS*.Hα-helixtrans-64.1-45.9174.6-177.5176.4176.3166.53.1111.6K171 R172 L173 F177 F178 E179K171-R175 PolarHBondContact O-N 3.13Å; R172-R175 PolarHBondContact O-N 3.43Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 3.01Å; R175-F177 VanDerWaalsContact C-N 3.35Å; R175-F177 PolarHBondContact O-N 3.45Å; R175-F178 WeakPolarHBondContact O-CB 3.38Å; R175-F178 PolarHBondContact O-N 3.07Å; R175-E179 WeakPolarHBondContact CG-OE1 3.45Å; R175-E179 IonicContact CZ-OE1 2.66Å; R175-E179 IonicContact NE-OE1 2.73Å; R175-E179 PolarHBondContact NE-OE1 3.2Å; R175-E179 IonicContact NH2-OE1 3.36Å; R175-E179 WeakPolarHBondContact O-CG 3.22Å; R175-E179 PolarHBondContact O-N 3.23Å
176A96.6Very high94.7Very high51 Ų5169.4 Ų69.442%0.42133%0.33SS..Hα-helixtrans-62-41.4177.400000112.1R172 L173 F178 E179 L180R172-A176 PolarHBondContact O-N 3.37Å; L173-A176 PolarHBondContact O-N 3.13Å; L173-A176 VanDerWaalsContact O-N 3.16Å; A176-F178 VanDerWaalsContact C-N 3.34Å; A176-F178 PolarHBondContact O-N 3.25Å; A176-E179 PolarHBondContact O-N 2.9Å; A176-L180 WeakPolarHBondContact O-CB 3.47Å; A176-L180 PolarHBondContact O-N 3.25Å
177F95.1Very high95.1Very high16 Ų1671.4 Ų71.47%0.0734%0.337CS..Hα-helixtrans-65.3-36174.8-93.2-81.5000112.9L173 R175 S181 L224 L225 M341 Y344L173-F177 HydrophobicContact CD1-CD2 3.88Å; L173-F177 HydrophobicContact CD1-CE2 3.67Å; L173-F177 HydrophobicContact CG-CD2 3.92Å; L173-F177 HydrophobicContact CG-CE2 4.01Å; L173-F177 WeakPolarHBondContact O-CD2 3.33Å; L173-F177 PolarHBondContact O-N 2.85Å; R175-F177 VanDerWaalsContact C-N 3.35Å; R175-F177 PolarHBondContact O-N 3.45Å; F177-S181 WeakPolarHBondContact O-CB 3.32Å; F177-S181 PolarHBondContact O-N 3.49Å; F177-S181 PolarHBondContact O-OG 3.07Å; F177-L224 HydrophobicContact CD1-CD2 3.65Å; F177-L224 HydrophobicContact CE1-CD2 3.65Å; F177-L224 HydrophobicContact CG-CD2 4.13Å; F177-L224 HydrophobicContact CZ-CD2 4.14Å; F177-L225 HydrophobicContact CB-CD2 3.86Å; F177-M341 HydrophobicContact CE2-CE 3.93Å; F177-M341 HydrophobicContact CE2-SD 4.13Å; F177-M341 HydrophobicContact CZ-CE 3.78Å; F177-M341 HydrophobicContact CZ-SD 4.04Å; F177-Y344 HydrophobicContact CD1-CE1 4.47Å; F177-Y344 HydrophobicContact CE1-CD1 4.08Å; F177-Y344 AromaticContact CE1-CE1 3.63Å; F177-Y344 HydrophobicContact CE1-CE1 3.63Å
178F96.4Very high95.3Very high94 Ų9470.8 Ų70.841%0.41233%0.334SS..Hα-helixtrans-64.1-48.1173.1179.4-104.8000111.5L174 R175 A176 L180 S181 Q182 I222 L225L174-F178 WeakPolarHBondContact O-CB 3.47Å; L174-F178 PolarHBondContact O-N 2.65Å; R175-F178 WeakPolarHBondContact O-CB 3.38Å; R175-F178 PolarHBondContact O-N 3.07Å; A176-F178 VanDerWaalsContact C-N 3.34Å; A176-F178 PolarHBondContact O-N 3.25Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 2.98Å; F178-S181 WeakPolarHBondContact O-CB 3.36Å; F178-S181 PolarHBondContact O-N 3.46Å; F178-Q182 HydrophobicContact CE1-CG 4.26Å; F178-Q182 HydrophobicContact CZ-CG 4.28Å; F178-Q182 VanDerWaalsContact CZ-NE2 3.34Å; F178-Q182 WeakPolarHBondContact O-CG 3.31Å; F178-Q182 PolarHBondContact O-N 2.92Å; F178-I222 HydrophobicContact CD2-CD1 4.3Å; F178-I222 HydrophobicContact CE2-CD1 4.43Å; F178-L225 HydrophobicContact CB-CD1 3.73Å; F178-L225 HydrophobicContact CD2-CD1 3.76Å; F178-L225 HydrophobicContact CG-CD1 4.24Å
179E97.1Very high95.4Very high95 Ų9570.2 Ų70.244%0.44433%0.333SS..Hα-helixtrans-60.9-42.9176.5-70.2169.5-170.300111.3R175 A176 S181 Q182 T183R175-E179 WeakPolarHBondContact CG-OE1 3.45Å; R175-E179 IonicContact CZ-OE1 2.66Å; R175-E179 IonicContact NE-OE1 2.73Å; R175-E179 PolarHBondContact NE-OE1 3.2Å; R175-E179 IonicContact NH2-OE1 3.36Å; R175-E179 WeakPolarHBondContact O-CG 3.22Å; R175-E179 PolarHBondContact O-N 3.23Å; A176-E179 PolarHBondContact O-N 2.9Å; E179-S181 PolarHBondContact O-N 3.08Å; E179-Q182 PolarHBondContact O-N 3.41Å; E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 PolarHBondContact O-OG1 3.01Å; E179-T183 VanDerWaalsContact O-OG1 3.14Å
180L96.3Very high95.5Very high71 Ų7168.1 Ų68.137%0.37233%0.329SS..Hα-helixtrans-60.8-41.7174.3-179.561.5000112.5A176 F178 Q182 T183 H184A176-L180 WeakPolarHBondContact O-CB 3.47Å; A176-L180 PolarHBondContact O-N 3.25Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 2.98Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 3.08Å; L180-T183 WeakPolarHBondContact O-CB 3.48Å; L180-T183 PolarHBondContact O-N 3.38Å; L180-H184 PolarHBondContact O-CD2 3.46Å; L180-H184 PolarHBondContact O-N 3.12Å
181S95.9Very high95.6Very high1 Ų170 Ų701%0.00734%0.336CS..Hα-helixtrans-61.8-40.5177-57.20000111.1F177 F178 E179 T183 H184 R185 E218F177-S181 WeakPolarHBondContact O-CB 3.32Å; F177-S181 PolarHBondContact O-N 3.49Å; F177-S181 PolarHBondContact O-OG 3.07Å; F178-S181 WeakPolarHBondContact O-CB 3.36Å; F178-S181 PolarHBondContact O-N 3.46Å; E179-S181 PolarHBondContact O-N 3.08Å; S181-T183 VanDerWaalsContact C-N 3.35Å; S181-T183 PolarHBondContact O-N 3.24Å; S181-H184 PolarHBondContact O-N 2.98Å; S181-R185 PolarHBondContact O-N 2.62Å; S181-E218 WeakPolarHBondContact O-CG 3.5Å
182Q96.5Very high95.6Very high80 Ų8066.9 Ų66.937%0.37433%0.327SS..Hα-helixtrans-65.7-37.6175.6-62.6-69.526.700112.2F178 E179 L180 R185 G186F178-Q182 HydrophobicContact CE1-CG 4.26Å; F178-Q182 HydrophobicContact CZ-CG 4.28Å; F178-Q182 VanDerWaalsContact CZ-NE2 3.34Å; F178-Q182 WeakPolarHBondContact O-CG 3.31Å; F178-Q182 PolarHBondContact O-N 2.92Å; E179-Q182 PolarHBondContact O-N 3.41Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 3.08Å; Q182-R185 WeakPolarHBondContact O-CB 3.26Å; Q182-R185 PolarHBondContact O-N 3.22Å; Q182-G186 PolarHBondContact O-N 3.08Å
183T97.3Very high95.5Very high73 Ų7363.5 Ų63.545%0.44832%0.32SS..Hα-helixtrans-63.5-42.5173.6-55.20000111.5E179 L180 S181 R185 G186 F187E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 PolarHBondContact O-OG1 3.01Å; E179-T183 VanDerWaalsContact O-OG1 3.14Å; L180-T183 WeakPolarHBondContact O-CB 3.48Å; L180-T183 PolarHBondContact O-N 3.38Å; S181-T183 VanDerWaalsContact C-N 3.35Å; S181-T183 PolarHBondContact O-N 3.24Å; T183-R185 VanDerWaalsContact C-N 3.34Å; T183-R185 PolarHBondContact O-N 2.85Å; T183-G186 WeakPolarHBondContact O-CA 3.41Å; T183-G186 PolarHBondContact O-N 3.28Å; T183-G186 VanDerWaalsContact O-N 3.12Å; T183-F187 HydrophobicContact CG2-CD2 3.97Å; T183-F187 HydrophobicContact CG2-CE2 3.64Å; T183-F187 HydrophobicContact CG2-CZ 4.45Å; T183-F187 WeakPolarHBondContact O-CD2 3.42Å; T183-F187 PolarHBondContact O-N 3.27Å
184H96.4Very high95.2Very high28 Ų2863.4 Ų63.413%0.1332%0.319CS..Hα-helixtrans-61.6-40174.6-79.2-52.7000112.6L180 S181 G186 F187 G188 H214 I217 E218L180-H184 PolarHBondContact O-CD2 3.46Å; L180-H184 PolarHBondContact O-N 3.12Å; S181-H184 PolarHBondContact O-N 2.98Å; H184-G186 VanDerWaalsContact C-N 3.33Å; H184-G186 PolarHBondContact O-N 3.07Å; H184-F187 PolarHBondContact O-N 2.96Å; H184-G188 PolarHBondContact O-N 3.44Å; H184-H214 AromaticContact CE1-CE1 3.95Å; H184-H214 AromaticContact CE1-ND1 3.66Å; H184-H214 AromaticContact ND1-CE1 3.59Å; H184-H214 AromaticContact ND1-ND1 2.95Å; H184-H214 PolarHBondContact ND1-ND1 3.38Å; H184-H214 WeakPolarHBondContact O-CB 3.46Å; H184-I217 HydrophobicContact CB-CG2 4.43Å; H184-I217 WeakPolarHBondContact CD2-CG2 3.2Å; H184-E218 HydrophobicContact CB-CB 4.3Å
185R96.5Very high95Very high130 Ų13062.5 Ų62.549%0.49131%0.314SS..Hα-helixtrans-57.5-46.7170.5179.1176.6175.7165.70.1111.9S181 Q182 T183 F187 G188 D189 E218S181-R185 PolarHBondContact O-N 2.62Å; Q182-R185 WeakPolarHBondContact O-CB 3.26Å; Q182-R185 PolarHBondContact O-N 3.22Å; T183-R185 VanDerWaalsContact C-N 3.34Å; T183-R185 PolarHBondContact O-N 2.85Å; R185-F187 PolarHBondContact O-N 3.35Å; R185-G188 PolarHBondContact O-N 3.11Å; R185-G188 VanDerWaalsContact O-N 3.15Å; R185-D189 PolarHBondContact O-N 2.98Å; R185-E218 HydrophobicContact CB-CB 4.47Å; R185-E218 HydrophobicContact CB-CG 4.08Å
186G96.9Very high94.7Very high33 Ų3359.9 Ų59.934%0.3432%0.317SS..Hα-helixtrans-57.8-46176.200000112.9Q182 T183 H184 G188 D189 V190Q182-G186 PolarHBondContact O-N 3.08Å; T183-G186 WeakPolarHBondContact O-CA 3.41Å; T183-G186 PolarHBondContact O-N 3.28Å; T183-G186 VanDerWaalsContact O-N 3.12Å; H184-G186 VanDerWaalsContact C-N 3.33Å; H184-G186 PolarHBondContact O-N 3.07Å; G186-G188 VanDerWaalsContact C-N 3.33Å; G186-G188 PolarHBondContact O-N 3.46Å; G186-D189 PolarHBondContact O-N 2.68Å; G186-V190 WeakPolarHBondContact O-CG2 3.44Å; G186-V190 PolarHBondContact O-N 2.95Å
187F95.2Very high94.3Very high94 Ų9467 Ų6741%0.41233%0.334SS..Hα-helixtrans-59.6-43.7173.6-79-54.7000112.1T183 H184 R185 D189 V190 F191 H214T183-F187 HydrophobicContact CG2-CD2 3.97Å; T183-F187 HydrophobicContact CG2-CE2 3.64Å; T183-F187 HydrophobicContact CG2-CZ 4.45Å; T183-F187 WeakPolarHBondContact O-CD2 3.42Å; T183-F187 PolarHBondContact O-N 3.27Å; H184-F187 PolarHBondContact O-N 2.96Å; R185-F187 PolarHBondContact O-N 3.35Å; F187-D189 VanDerWaalsContact C-N 3.31Å; F187-D189 PolarHBondContact O-N 2.92Å; F187-V190 PolarHBondContact O-N 3.36Å; F187-F191 HydrophobicContact CB-CD2 4.22Å; F187-F191 HydrophobicContact CB-CE2 4.1Å; F187-F191 HydrophobicContact CD1-CE2 4.13Å; F187-F191 HydrophobicContact CD1-CZ 4.46Å; F187-F191 HydrophobicContact CG-CE2 4.41Å; F187-F191 WeakPolarHBondContact O-CB 2.92Å; F187-F191 WeakPolarHBondContact O-CD2 3.4Å; F187-F191 WeakPolarHBondContact O-CG 3.42Å; F187-F191 PolarHBondContact O-N 2.87Å; F187-H214 HydrophobicContact CB-CB 4.19Å
188G94.9Very high93.9Very high0 Ų067.5 Ų67.50%034%0.336CS..Hα-helixtrans-56.1-45.117600000112.8H184 R185 G186 S192 A211H184-G188 PolarHBondContact O-N 3.44Å; R185-G188 PolarHBondContact O-N 3.11Å; R185-G188 VanDerWaalsContact O-N 3.15Å; G186-G188 VanDerWaalsContact C-N 3.33Å; G186-G188 PolarHBondContact O-N 3.46Å; G188-S192 VanDerWaalsContact O-CB 3.28Å; G188-S192 WeakPolarHBondContact O-CB 3.4Å; G188-S192 PolarHBondContact O-N 3.49Å; G188-S192 VanDerWaalsContact O-N 3.08Å; G188-A211 VanDerWaalsContact O-CB 3.3Å; G188-A211 WeakPolarHBondContact O-CB 3.5Å
189D95.1Very high93.3Very high64 Ų6466.7 Ų66.734%0.34234%0.34SS..Hα-helixtrans-69.8-42.3180-67.3-23.2000112.1R185 G186 F187 S192 I193 R215R185-D189 PolarHBondContact O-N 2.98Å; G186-D189 PolarHBondContact O-N 2.68Å; F187-D189 VanDerWaalsContact C-N 3.31Å; F187-D189 PolarHBondContact O-N 2.92Å; D189-S192 PolarHBondContact O-N 2.86Å; D189-I193 WeakPolarHBondContact O-CG1 3.49Å; D189-I193 PolarHBondContact O-N 3.35Å; D189-I193 VanDerWaalsContact O-N 3.13Å; D189-R215 IonicContact OD1-CZ 3.13Å; D189-R215 IonicContact OD1-NE 3.59Å; D189-R215 IonicContact OD1-NH2 2.85Å; D189-R215 PolarHBondContact OD1-NH2 3.13Å
190V95.5Very high92.8Very high79 Ų7964.7 Ų64.748%0.47933%0.331SS..Hα-helixtrans-64.6-49.1177.41720000111.6G186 F187 S192 I193 I194G186-V190 WeakPolarHBondContact O-CG2 3.44Å; G186-V190 PolarHBondContact O-N 2.95Å; F187-V190 PolarHBondContact O-N 3.36Å; V190-S192 VanDerWaalsContact C-N 3.28Å; V190-S192 PolarHBondContact O-N 2.87Å; V190-I193 PolarHBondContact O-N 2.99Å; V190-I193 VanDerWaalsContact O-N 3.15Å; V190-I194 HydrophobicContact CG1-CD1 3.79Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 WeakPolarHBondContact O-CG1 3.25Å; V190-I194 PolarHBondContact O-N 3.36Å
191F93.3Very high92.2Very high47 Ų4765.1 Ų65.121%0.20635%0.345CS..Hα-helixtrans-64.2-34.1179.1-72.1-47000112.3F187 I193 I194 G195 F207 F210 A211 H214F187-F191 HydrophobicContact CB-CD2 4.22Å; F187-F191 HydrophobicContact CB-CE2 4.1Å; F187-F191 HydrophobicContact CD1-CE2 4.13Å; F187-F191 HydrophobicContact CD1-CZ 4.46Å; F187-F191 HydrophobicContact CG-CE2 4.41Å; F187-F191 WeakPolarHBondContact O-CB 2.92Å; F187-F191 WeakPolarHBondContact O-CD2 3.4Å; F187-F191 WeakPolarHBondContact O-CG 3.42Å; F187-F191 PolarHBondContact O-N 2.87Å; F191-I193 VanDerWaalsContact C-N 3.35Å; F191-I193 PolarHBondContact O-N 3.32Å; F191-I194 HydrophobicContact CD1-CD1 4.34Å; F191-I194 PolarHBondContact O-N 2.94Å; F191-G195 PolarHBondContact O-N 2.97Å; F191-F207 AromaticContact CD1-CD1 3.65Å; F191-F207 HydrophobicContact CD1-CD1 3.65Å; F191-F207 HydrophobicContact CD1-CE1 4.06Å; F191-F207 HydrophobicContact CE1-CD1 4.19Å; F191-F207 HydrophobicContact CE1-CE1 4.19Å; F191-F207 HydrophobicContact CG-CD1 4.5Å; F191-F210 HydrophobicContact CD2-CB 4.09Å; F191-F210 HydrophobicContact CE2-CB 4.45Å; F191-F210 HydrophobicContact CG-CB 4.34Å; F191-A211 HydrophobicContact CB-CB 3.81Å; F191-H214 AromaticContact CD2-CD2 3.67Å; F191-H214 AromaticContact CE2-CD2 3.53Å; F191-H214 AromaticContact CE2-NE2 3.63Å
192S93.2Very high91.6Very high34 Ų3468.1 Ų68.124%0.23837%0.37CS..Hα-helixtrans-63-41.9174-173.10000111.6G188 D189 V190 V196G188-S192 VanDerWaalsContact O-CB 3.28Å; G188-S192 WeakPolarHBondContact O-CB 3.4Å; G188-S192 PolarHBondContact O-N 3.49Å; G188-S192 VanDerWaalsContact O-N 3.08Å; D189-S192 PolarHBondContact O-N 2.86Å; V190-S192 VanDerWaalsContact C-N 3.28Å; V190-S192 PolarHBondContact O-N 2.87Å; S192-V196 WeakPolarHBondContact O-CG2 3.34Å; S192-V196 PolarHBondContact O-N 3.22Å
193I93.4Very high91.1Very high90 Ų9064.4 Ų64.446%0.46235%0.352SS..Hα-helixtrans-65.1-44.3176.1-66.7163.9000111.3D189 V190 F191 V196 R197D189-I193 WeakPolarHBondContact O-CG1 3.49Å; D189-I193 PolarHBondContact O-N 3.35Å; D189-I193 VanDerWaalsContact O-N 3.13Å; V190-I193 PolarHBondContact O-N 2.99Å; V190-I193 VanDerWaalsContact O-N 3.15Å; F191-I193 VanDerWaalsContact C-N 3.35Å; F191-I193 PolarHBondContact O-N 3.32Å; I193-V196 PolarHBondContact O-N 3.36Å; I193-R197 WeakPolarHBondContact O-CG 3.44Å; I193-R197 PolarHBondContact O-N 3.49Å
194I89.1Confident90.6Very high60 Ų6062.4 Ų62.431%0.30834%0.341SS..Hα-helixtrans-62.1-48.7178.1-65.1169.4000109.7V190 F191 V196 R197 E198 F207V190-I194 HydrophobicContact CG1-CD1 3.79Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 WeakPolarHBondContact O-CG1 3.25Å; V190-I194 PolarHBondContact O-N 3.36Å; F191-I194 HydrophobicContact CD1-CD1 4.34Å; F191-I194 PolarHBondContact O-N 2.94Å; I194-V196 VanDerWaalsContact C-N 3.3Å; I194-V196 PolarHBondContact O-N 3.26Å; I194-R197 CarbonylContact O-C 3.58Å; I194-R197 PolarHBondContact O-N 3.1Å; I194-E198 WeakPolarHBondContact O-CB 3.49Å; I194-E198 PolarHBondContact O-N 3.46Å; I194-F207 HydrophobicContact CB-CD1 4.49Å; I194-F207 HydrophobicContact CB-CG 4.37Å; I194-F207 HydrophobicContact CG2-CD1 4.01Å; I194-F207 HydrophobicContact CG2-CD2 3.58Å; I194-F207 HydrophobicContact CG2-CE1 4.01Å; I194-F207 HydrophobicContact CG2-CE2 3.6Å; I194-F207 HydrophobicContact CG2-CG 3.81Å; I194-F207 HydrophobicContact CG2-CZ 3.82Å
195G88.8Confident90.2Very high0 Ų066.3 Ų66.30%036%0.359CS..Hα-helixtrans-57-40.5-179.500000113.3F191 R197 S204F191-G195 PolarHBondContact O-N 2.97Å; G195-R197 VanDerWaalsContact C-N 3.32Å; G195-R197 PolarHBondContact O-N 3.44Å; G195-S204 VanDerWaalsContact O-CB 3.3Å; G195-S204 WeakPolarHBondContact O-CB 3.41Å; G195-S204 PolarHBondContact O-OG 3.24Å
196V89.9Confident89.8Confident117 Ų11760.1 Ų60.171%0.70934%0.336SS*.Hα-helixtrans-68.7-30.1177172.70000112.7S192 I193 I194S192-V196 WeakPolarHBondContact O-CG2 3.34Å; S192-V196 PolarHBondContact O-N 3.22Å; I193-V196 PolarHBondContact O-N 3.36Å; I194-V196 VanDerWaalsContact C-N 3.3Å; I194-V196 PolarHBondContact O-N 3.26Å
197R88.2Confident89.5Confident202 Ų20260 Ų6076%0.76233%0.326SS*.Hα-helixtrans-92.4-12.5-177-67.8179.2179.1-175.70.9113.6I193 I194 G195 P199I193-R197 WeakPolarHBondContact O-CG 3.44Å; I193-R197 PolarHBondContact O-N 3.49Å; I194-R197 CarbonylContact O-C 3.58Å; I194-R197 PolarHBondContact O-N 3.1Å; G195-R197 VanDerWaalsContact C-N 3.32Å; G195-R197 PolarHBondContact O-N 3.44Å; R197-P199 WeakPolarHBondContact O-CD 3.39Å
198E86.4Confident89.2Confident26 Ų2658 Ų5812%0.12132%0.322CS..  trans-74.5119.1-175.5-177.951.2-125.900111.3I194 Q200 A203 F207I194-E198 WeakPolarHBondContact O-CB 3.49Å; I194-E198 PolarHBondContact O-N 3.46Å; E198-Q200 VanDerWaalsContact C-N 3.33Å; E198-Q200 PolarHBondContact O-N 2.92Å; E198-Q200 PolarHBondContact OE1-N 2.82Å; E198-A203 HydrophobicContact CG-CB 3.61Å; E198-F207 HydrophobicContact CG-CD2 4.43Å; E198-F207 HydrophobicContact CG-CE2 4.47Å
199P84.6Confident89Confident76 Ų7662.2 Ų62.249%0.49434%0.34SS..SBendtrans-69-27.3-178.925.8-36000113.8R197 A201R197-P199 WeakPolarHBondContact O-CD 3.39Å; P199-A201 PolarHBondContact O-N 3.29Å
200Q84.9Confident88.8Confident53 Ų5361 Ų6125%0.24833%0.332CS..SBendtrans-82.2114.6178.1-178.4166.2-8.300110.6E198 A202 A203 S204 E361E198-Q200 VanDerWaalsContact C-N 3.33Å; E198-Q200 PolarHBondContact O-N 2.92Å; E198-Q200 PolarHBondContact OE1-N 2.82Å; Q200-A202 VanDerWaalsContact C-N 3.29Å; Q200-A202 PolarHBondContact O-N 3.15Å; Q200-A203 HydrophobicContact CB-CB 4.16Å; Q200-A203 HydrophobicContact CG-CB 4.3Å; Q200-A203 PolarHBondContact O-N 3.39Å; Q200-A203 VanDerWaalsContact O-N 3.08Å; Q200-S204 WeakPolarHBondContact O-CB 3.3Å; Q200-S204 PolarHBondContact O-N 3.48Å; Q200-E361 PolarHBondContact NE2-O 3.35Å; Q200-E361 PolarHBondContact OE1-O 3.41Å
201A85Confident88.7Confident81 Ų8157.3 Ų57.367%0.66931%0.31SS*.Hα-helixtrans-55.7-39-175.300000113.9P199 S204 E205P199-A201 PolarHBondContact O-N 3.29Å; A201-S204 WeakPolarHBondContact O-CB 3.48Å; A201-S204 PolarHBondContact O-N 2.91Å; A201-E205 PolarHBondContact O-N 3.46Å
202A83.4Confident88.7Confident64 Ų6458.8 Ų58.853%0.52932%0.32SS..Hα-helixtrans-66.6-40.817800000112.7Q200 A206Q200-A202 VanDerWaalsContact C-N 3.29Å; Q200-A202 PolarHBondContact O-N 3.15Å; A202-A206 WeakPolarHBondContact O-CB 3.37Å; A202-A206 PolarHBondContact O-N 3.21Å; A202-A206 VanDerWaalsContact O-N 3.08Å
203A84.5Confident88.8Confident1 Ų157.4 Ų57.41%0.00831%0.311CS..Hα-helixtrans-72.1-38.2176.400000111.5E198 Q200 E205 A206 F207 I360E198-A203 HydrophobicContact CG-CB 3.61Å; Q200-A203 HydrophobicContact CB-CB 4.16Å; Q200-A203 HydrophobicContact CG-CB 4.3Å; Q200-A203 PolarHBondContact O-N 3.39Å; Q200-A203 VanDerWaalsContact O-N 3.08Å; A203-E205 PolarHBondContact O-N 3.47Å; A203-A206 WeakPolarHBondContact O-CB 3.43Å; A203-A206 PolarHBondContact O-N 2.86Å; A203-F207 HydrophobicContact CB-CE2 4.42Å; A203-F207 WeakPolarHBondContact O-CD2 3.41Å; A203-F207 PolarHBondContact O-N 3.14Å; A203-I360 HydrophobicContact CB-CG2 3.77Å
204S87.6Confident88.9Confident31 Ų3154.5 Ų54.522%0.21730%0.295CS..Hα-helixtrans-55.4-50.6171.81770000111.6G195 Q200 A201 A206 F207 V208G195-S204 VanDerWaalsContact O-CB 3.3Å; G195-S204 WeakPolarHBondContact O-CB 3.41Å; G195-S204 PolarHBondContact O-OG 3.24Å; Q200-S204 WeakPolarHBondContact O-CB 3.3Å; Q200-S204 PolarHBondContact O-N 3.48Å; A201-S204 WeakPolarHBondContact O-CB 3.48Å; A201-S204 PolarHBondContact O-N 2.91Å; S204-A206 VanDerWaalsContact C-N 3.32Å; S204-A206 PolarHBondContact O-N 3.47Å; S204-F207 PolarHBondContact O-N 3.03Å; S204-V208 WeakPolarHBondContact O-CG2 3.33Å; S204-V208 PolarHBondContact O-N 3.35Å
205E87.7Confident89.2Confident110 Ų11055.7 Ų55.751%0.51430%0.296SS..Hα-helixtrans-62.1-39.5177.1-168.7-174.3155.700111.9A201 A203 V208 K209A201-E205 PolarHBondContact O-N 3.46Å; A203-E205 PolarHBondContact O-N 3.47Å; E205-V208 PolarHBondContact O-N 3.15Å; E205-K209 WeakPolarHBondContact O-CG 3.34Å; E205-K209 PolarHBondContact O-N 3.17Å; E205-K209 WeakPolarHBondContact OE1-CE 3.41Å; E205-K209 IonicContact OE1-NZ 2.71Å; E205-K209 PolarHBondContact OE1-NZ 3.35Å
206A88.3Confident89.5Confident0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-60.9-48.817600000112.5A202 A203 S204 V208 K209 F210 V357 I360A202-A206 WeakPolarHBondContact O-CB 3.37Å; A202-A206 PolarHBondContact O-N 3.21Å; A202-A206 VanDerWaalsContact O-N 3.08Å; A203-A206 WeakPolarHBondContact O-CB 3.43Å; A203-A206 PolarHBondContact O-N 2.86Å; S204-A206 VanDerWaalsContact C-N 3.32Å; S204-A206 PolarHBondContact O-N 3.47Å; A206-V208 VanDerWaalsContact C-N 3.31Å; A206-V208 PolarHBondContact O-N 2.99Å; A206-K209 PolarHBondContact O-N 3.03Å; A206-F210 WeakPolarHBondContact O-CD2 3.48Å; A206-F210 PolarHBondContact O-N 3.3Å; A206-V357 HydrophobicContact CB-CB 3.88Å; A206-V357 HydrophobicContact CB-CG1 3.33Å; A206-V357 HydrophobicContact CB-CG2 4.45Å; A206-I360 HydrophobicContact CB-CD1 3.85Å; A206-I360 HydrophobicContact CB-CG1 4.03Å
207F89.9Confident89.8Confident30 Ų3052.7 Ų52.713%0.13228%0.275CS..Hα-helixtrans-63.7-36.2178.4-75.5-59.8000112.4F191 I194 E198 A203 S204 F210 A211F191-F207 AromaticContact CD1-CD1 3.65Å; F191-F207 HydrophobicContact CD1-CD1 3.65Å; F191-F207 HydrophobicContact CD1-CE1 4.06Å; F191-F207 HydrophobicContact CE1-CD1 4.19Å; F191-F207 HydrophobicContact CE1-CE1 4.19Å; F191-F207 HydrophobicContact CG-CD1 4.5Å; I194-F207 HydrophobicContact CB-CD1 4.49Å; I194-F207 HydrophobicContact CB-CG 4.37Å; I194-F207 HydrophobicContact CG2-CD1 4.01Å; I194-F207 HydrophobicContact CG2-CD2 3.58Å; I194-F207 HydrophobicContact CG2-CE1 4.01Å; I194-F207 HydrophobicContact CG2-CE2 3.6Å; I194-F207 HydrophobicContact CG2-CG 3.81Å; I194-F207 HydrophobicContact CG2-CZ 3.82Å; E198-F207 HydrophobicContact CG-CD2 4.43Å; E198-F207 HydrophobicContact CG-CE2 4.47Å; A203-F207 HydrophobicContact CB-CE2 4.42Å; A203-F207 WeakPolarHBondContact O-CD2 3.41Å; A203-F207 PolarHBondContact O-N 3.14Å; S204-F207 PolarHBondContact O-N 3.03Å; F207-F210 PolarHBondContact O-N 3.19Å; F207-A211 VanDerWaalsContact O-CB 3.31Å; F207-A211 WeakPolarHBondContact O-CB 3.43Å; F207-A211 PolarHBondContact O-N 3.49Å
208V89.8Confident90.2Very high54 Ų5444.8 Ų44.833%0.32725%0.247SC..Hα-helixtrans-64.8-43.7173.4174.10000111.2S204 E205 A206 F210 A211 D212S204-V208 WeakPolarHBondContact O-CG2 3.33Å; S204-V208 PolarHBondContact O-N 3.35Å; E205-V208 PolarHBondContact O-N 3.15Å; A206-V208 VanDerWaalsContact C-N 3.31Å; A206-V208 PolarHBondContact O-N 2.99Å; V208-F210 PolarHBondContact O-N 2.86Å; V208-A211 WeakPolarHBondContact O-CB 3.41Å; V208-A211 PolarHBondContact O-N 3.04Å; V208-D212 PolarHBondContact O-N 3.4Å
209K90.3Very high90.7Very high88 Ų8849 Ų4938%0.38327%0.265SS..Hα-helixtrans-60.5-43.8175.2-74.4176.8-175.9166.50112.3E205 A206 A211 D212 A213 V357E205-K209 WeakPolarHBondContact O-CG 3.34Å; E205-K209 PolarHBondContact O-N 3.17Å; E205-K209 WeakPolarHBondContact OE1-CE 3.41Å; E205-K209 IonicContact OE1-NZ 2.71Å; E205-K209 PolarHBondContact OE1-NZ 3.35Å; A206-K209 PolarHBondContact O-N 3.03Å; K209-A211 VanDerWaalsContact C-N 3.35Å; K209-D212 PolarHBondContact O-N 3.1Å; K209-A213 WeakPolarHBondContact O-CB 3.32Å; K209-A213 PolarHBondContact O-N 3.27Å; K209-V357 HydrophobicContact CB-CG2 4.33Å; K209-V357 HydrophobicContact CD-CG2 4.17Å
210F91.3Very high91.3Very high38 Ų3848.2 Ų48.217%0.16725%0.253CS..Hα-helixtrans-64.9-37.8174.6-80.3-64.4000112.7F191 A206 F207 V208 A213 H214 A355 V357 F358 I360F191-F210 HydrophobicContact CD2-CB 4.09Å; F191-F210 HydrophobicContact CE2-CB 4.45Å; F191-F210 HydrophobicContact CG-CB 4.34Å; A206-F210 WeakPolarHBondContact O-CD2 3.48Å; A206-F210 PolarHBondContact O-N 3.3Å; F207-F210 PolarHBondContact O-N 3.19Å; V208-F210 PolarHBondContact O-N 2.86Å; F210-A213 PolarHBondContact O-N 2.66Å; F210-H214 PolarHBondContact O-CD2 3.36Å; F210-H214 PolarHBondContact O-N 3.13Å; F210-A355 HydrophobicContact CE1-CB 4.47Å; F210-V357 HydrophobicContact CE2-CB 4.18Å; F210-V357 HydrophobicContact CE2-CG2 3.99Å; F210-V357 HydrophobicContact CZ-CG2 4.34Å; F210-F358 HydrophobicContact CZ-CE2 4.26Å; F210-I360 HydrophobicContact CE2-CD1 3.98Å
211A93.1Very high91.8Very high1 Ų145.7 Ų45.71%0.00824%0.241CC..Hα-helixtrans-60.1-48.7176.400000111.7G188 F191 F207 V208 K209 H214 R215G188-A211 VanDerWaalsContact O-CB 3.3Å; G188-A211 WeakPolarHBondContact O-CB 3.5Å; F191-A211 HydrophobicContact CB-CB 3.81Å; F207-A211 VanDerWaalsContact O-CB 3.31Å; F207-A211 WeakPolarHBondContact O-CB 3.43Å; F207-A211 PolarHBondContact O-N 3.49Å; V208-A211 WeakPolarHBondContact O-CB 3.41Å; V208-A211 PolarHBondContact O-N 3.04Å; K209-A211 VanDerWaalsContact C-N 3.35Å; A211-H214 PolarHBondContact O-N 3.21Å; A211-R215 WeakPolarHBondContact O-CG 3.49Å; A211-R215 PolarHBondContact O-N 3.11Å
212D93.6Very high92.3Very high79 Ų7943.9 Ų43.942%0.42222%0.22SC..Hα-helixtrans-67.8-38.1179.1-73.3-22.3000111.9V208 K209 H214 R215 N216V208-D212 PolarHBondContact O-N 3.4Å; K209-D212 PolarHBondContact O-N 3.1Å; D212-H214 PolarHBondContact O-N 2.86Å; D212-R215 PolarHBondContact O-N 3.33Å; D212-N216 PolarHBondContact O-N 3.34Å; D212-N216 PolarHBondContact O-ND2 3.17Å
213A94.5Very high92.9Very high5 Ų546.5 Ų46.54%0.04122%0.221CC..Hα-helixtrans-57.2-50.217400000111.5K209 F210 R215 N216 I217 V351 A355K209-A213 WeakPolarHBondContact O-CB 3.32Å; K209-A213 PolarHBondContact O-N 3.27Å; F210-A213 PolarHBondContact O-N 2.66Å; A213-R215 PolarHBondContact O-N 2.96Å; A213-N216 PolarHBondContact O-N 2.91Å; A213-I217 WeakPolarHBondContact O-CG1 3.06Å; A213-I217 PolarHBondContact O-N 3.36Å; A213-V351 VanDerWaalsContact CA-CG1 3.42Å; A213-V351 HydrophobicContact CB-CG1 3.55Å; A213-A355 HydrophobicContact CB-CB 4.41Å
214H95.4Very high93.4Very high29 Ų2946.7 Ų46.713%0.13422%0.222CC..Hα-helixtrans-65.7-36.4178.3-81.3-60.1000113.5H184 F187 F191 F210 A211 D212 N216 I217 E218H184-H214 AromaticContact CE1-CE1 3.95Å; H184-H214 AromaticContact CE1-ND1 3.66Å; H184-H214 AromaticContact ND1-CE1 3.59Å; H184-H214 AromaticContact ND1-ND1 2.95Å; H184-H214 PolarHBondContact ND1-ND1 3.38Å; H184-H214 WeakPolarHBondContact O-CB 3.46Å; F187-H214 HydrophobicContact CB-CB 4.19Å; F191-H214 AromaticContact CD2-CD2 3.67Å; F191-H214 AromaticContact CE2-CD2 3.53Å; F191-H214 AromaticContact CE2-NE2 3.63Å; F210-H214 PolarHBondContact O-CD2 3.36Å; F210-H214 PolarHBondContact O-N 3.13Å; A211-H214 PolarHBondContact O-N 3.21Å; D212-H214 PolarHBondContact O-N 2.86Å; H214-N216 VanDerWaalsContact C-N 3.33Å; H214-N216 PolarHBondContact O-N 3.44Å; H214-I217 PolarHBondContact O-N 3.34Å; H214-E218 PolarHBondContact O-N 2.9Å
215R95.8Very high93.7Very high85 Ų8546.4 Ų46.432%0.32122%0.217SC..Hα-helixtrans-64.5-35.7172.4-74.7175171166.30.3112.5D189 A211 D212 A213 K219D189-R215 IonicContact OD1-CZ 3.13Å; D189-R215 IonicContact OD1-NE 3.59Å; D189-R215 IonicContact OD1-NH2 2.85Å; D189-R215 PolarHBondContact OD1-NH2 3.13Å; A211-R215 WeakPolarHBondContact O-CG 3.49Å; A211-R215 PolarHBondContact O-N 3.11Å; D212-R215 PolarHBondContact O-N 3.33Å; A213-R215 PolarHBondContact O-N 2.96Å; R215-K219 WeakPolarHBondContact O-CG 3.27Å; R215-K219 PolarHBondContact O-N 3.3Å
216N96.3Very high94Very high48 Ų4848.2 Ų48.226%0.25722%0.224SC..Hα-helixtrans-71.6-40.2175.4-71-29.3000111.8D212 A213 H214 E218 K219 Y220 V351D212-N216 PolarHBondContact O-N 3.34Å; D212-N216 PolarHBondContact O-ND2 3.17Å; A213-N216 PolarHBondContact O-N 2.91Å; H214-N216 VanDerWaalsContact C-N 3.33Å; H214-N216 PolarHBondContact O-N 3.44Å; N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.97Å; N216-K219 WeakPolarHBondContact O-CB 3.39Å; N216-K219 PolarHBondContact O-N 3.41Å; N216-K219 VanDerWaalsContact O-N 3.12Å; N216-K219 PolarHBondContact OD1-NZ 3.22Å; N216-Y220 HydrophobicContact CB-CE2 4.07Å; N216-Y220 WeakPolarHBondContact O-CD2 3.2Å; N216-Y220 VanDerWaalsContact O-CG 3.23Å; N216-Y220 PolarHBondContact O-N 3.26Å; N216-V351 HydrophobicContact CB-CG1 4.39Å; N216-V351 HydrophobicContact CB-CG2 4.29Å
217I95.7Very high94.3Very high5 Ų550.5 Ų50.53%0.02624%0.238CC..Hα-helixtrans-58.7-40.3173.6-65.6167.1000111.2H184 A213 H214 Y220 G221 C348 L352H184-I217 HydrophobicContact CB-CG2 4.43Å; H184-I217 WeakPolarHBondContact CD2-CG2 3.2Å; A213-I217 WeakPolarHBondContact O-CG1 3.06Å; A213-I217 PolarHBondContact O-N 3.36Å; H214-I217 PolarHBondContact O-N 3.34Å; I217-Y220 PolarHBondContact O-N 2.67Å; I217-G221 PolarHBondContact O-N 3.3Å; I217-C348 HydrophobicContact CG1-CB 4.41Å; I217-L352 HydrophobicContact CD1-CD1 4.42Å; I217-L352 HydrophobicContact CD1-CD2 4.18Å; I217-L352 HydrophobicContact CD1-CG 4.22Å
218E96.5Very high94.4Very high36 Ų3649.1 Ų49.117%0.16823%0.232CC..Hα-helixtrans-59-48.4173.1176.3-104.6-175.600112S181 H184 R185 H214 N216 Y220 G221 I222S181-E218 WeakPolarHBondContact O-CG 3.5Å; H184-E218 HydrophobicContact CB-CB 4.3Å; R185-E218 HydrophobicContact CB-CB 4.47Å; R185-E218 HydrophobicContact CB-CG 4.08Å; H214-E218 PolarHBondContact O-N 2.9Å; N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.97Å; E218-Y220 VanDerWaalsContact C-N 3.33Å; E218-Y220 PolarHBondContact O-N 2.46Å; E218-G221 WeakPolarHBondContact O-CA 3.31Å; E218-G221 PolarHBondContact O-N 2.73Å; E218-G221 VanDerWaalsContact O-N 3.12Å; E218-I222 WeakPolarHBondContact O-CG1 3.26Å; E218-I222 PolarHBondContact O-N 2.97Å
219K96.5Very high94.4Very high116 Ų11653.5 Ų53.550%0.50425%0.246SC..Hα-helixtrans-57.6-45.8177.8-67.1170.8-167.8162.10112R215 N216 G221 I222 E223R215-K219 WeakPolarHBondContact O-CG 3.27Å; R215-K219 PolarHBondContact O-N 3.3Å; N216-K219 WeakPolarHBondContact O-CB 3.39Å; N216-K219 PolarHBondContact O-N 3.41Å; N216-K219 VanDerWaalsContact O-N 3.12Å; N216-K219 PolarHBondContact OD1-NZ 3.22Å; K219-G221 VanDerWaalsContact C-N 3.31Å; K219-G221 PolarHBondContact O-N 3.1Å; K219-I222 PolarHBondContact O-N 3.4Å; K219-E223 PolarHBondContact O-N 3.42Å
220Y96.8Very high94.5Very high58 Ų5851.5 Ų51.523%0.22724%0.242CC..Hα-helixtrans-63.4-38.8177.1-54.7-35.1000111.5N216 I217 E218 I222 E223 L224 D347 V351N216-Y220 HydrophobicContact CB-CE2 4.07Å; N216-Y220 WeakPolarHBondContact O-CD2 3.2Å; N216-Y220 VanDerWaalsContact O-CG 3.23Å; N216-Y220 PolarHBondContact O-N 3.26Å; I217-Y220 PolarHBondContact O-N 2.67Å; E218-Y220 VanDerWaalsContact C-N 3.33Å; E218-Y220 PolarHBondContact O-N 2.46Å; Y220-I222 PolarHBondContact O-N 3.17Å; Y220-E223 PolarHBondContact O-N 3.32Å; Y220-L224 WeakPolarHBondContact O-CB 2.84Å; Y220-L224 PolarHBondContact O-N 3.15Å; Y220-D347 HydrophobicContact CD1-CB 4.35Å; Y220-D347 HydrophobicContact CD2-CB 3.77Å; Y220-D347 HydrophobicContact CE1-CB 4.4Å; Y220-D347 HydrophobicContact CE2-CB 3.78Å; Y220-D347 HydrophobicContact CG-CB 4.07Å; Y220-V351 HydrophobicContact CE2-CG2 3.68Å
221G95.4Very high94.4Very high0 Ų049.9 Ų49.90%024%0.235CC..Hα-helixtrans-59.7-45.6173.800000112I217 E218 K219 E223 L224 L225I217-G221 PolarHBondContact O-N 3.3Å; E218-G221 WeakPolarHBondContact O-CA 3.31Å; E218-G221 PolarHBondContact O-N 2.73Å; E218-G221 VanDerWaalsContact O-N 3.12Å; K219-G221 VanDerWaalsContact C-N 3.31Å; K219-G221 PolarHBondContact O-N 3.1Å; G221-E223 VanDerWaalsContact C-N 3.33Å; G221-E223 PolarHBondContact O-N 3.39Å; G221-L224 WeakPolarHBondContact O-CB 3.27Å; G221-L224 PolarHBondContact O-N 2.96Å; G221-L225 VanDerWaalsContact O-CG 3.3Å; G221-L225 WeakPolarHBondContact O-CG 3.47Å; G221-L225 PolarHBondContact O-N 2.95Å
222I95.4Very high94.2Very high44 Ų4451.2 Ų51.223%0.22624%0.242CC..Hα-helixtrans-63.5-37.6175.6-62.3-57.1000112F178 E218 K219 Y220 L225 K226F178-I222 HydrophobicContact CD2-CD1 4.3Å; F178-I222 HydrophobicContact CE2-CD1 4.43Å; E218-I222 WeakPolarHBondContact O-CG1 3.26Å; E218-I222 PolarHBondContact O-N 2.97Å; K219-I222 PolarHBondContact O-N 3.4Å; Y220-I222 PolarHBondContact O-N 3.17Å; I222-L225 HydrophobicContact CD1-CD1 4.17Å; I222-L225 PolarHBondContact O-N 3.03Å; I222-K226 WeakPolarHBondContact O-CG 3.06Å; I222-K226 PolarHBondContact O-N 3.16Å; I222-K226 VanDerWaalsContact O-N 3.08Å
223E95.6Very high93.9Very high118 Ų11853.4 Ų53.455%0.55125%0.25SC*.Hα-helixtrans-67.2-42.1176-174.8166.3-173.100112.7K219 Y220 G221 L225 K226 T227K219-E223 PolarHBondContact O-N 3.42Å; Y220-E223 PolarHBondContact O-N 3.32Å; G221-E223 VanDerWaalsContact C-N 3.33Å; G221-E223 PolarHBondContact O-N 3.39Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.09Å; E223-K226 PolarHBondContact O-N 2.99Å; E223-T227 PolarHBondContact O-N 3.02Å; E223-T227 PolarHBondContact O-OG1 3.34Å
224L95.3Very high93.5Very high6 Ų656.2 Ų56.23%0.03126%0.264CS..Hα-helixtrans-55.7-47.6171.8178.167.8000111F177 Y220 G221 K226 T227 I228 G340 M341 Y344F177-L224 HydrophobicContact CD1-CD2 3.65Å; F177-L224 HydrophobicContact CE1-CD2 3.65Å; F177-L224 HydrophobicContact CG-CD2 4.13Å; F177-L224 HydrophobicContact CZ-CD2 4.14Å; Y220-L224 WeakPolarHBondContact O-CB 2.84Å; Y220-L224 PolarHBondContact O-N 3.15Å; G221-L224 WeakPolarHBondContact O-CB 3.27Å; G221-L224 PolarHBondContact O-N 2.96Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.29Å; L224-T227 PolarHBondContact O-N 3.43Å; L224-T227 VanDerWaalsContact O-N 3.13Å; L224-I228 HydrophobicContact CD1-CD1 3.39Å; L224-I228 HydrophobicContact CD1-CG1 4.08Å; L224-I228 HydrophobicContact CG-CD1 3.84Å; L224-I228 WeakPolarHBondContact O-CG1 3.27Å; L224-I228 PolarHBondContact O-N 2.92Å; L224-G340 VanDerWaalsContact CD1-O 3.27Å; L224-G340 WeakPolarHBondContact CD1-O 3.4Å; L224-M341 HydrophobicContact CD1-SD 4.16Å; L224-M341 HydrophobicContact CD2-SD 3.94Å; L224-Y344 HydrophobicContact CB-CD2 4.26Å; L224-Y344 HydrophobicContact CB-CG 4.47Å; L224-Y344 HydrophobicContact CD2-CD1 4.15Å; L224-Y344 HydrophobicContact CD2-CD2 4.13Å; L224-Y344 HydrophobicContact CD2-CG 3.81Å
225L94.9Very high93.1Very high24 Ų2455.2 Ų55.213%0.12626%0.26CS..Hα-helixtrans-59.3-43.8177.4-65.7176000111.7L174 F177 F178 G221 I222 E223 T227 I228 K229L174-L225 HydrophobicContact CB-CD2 4.03Å; L174-L225 HydrophobicContact CD2-CD2 3.5Å; L174-L225 VanDerWaalsContact CD2-CD2 3.5Å; L174-L225 HydrophobicContact CG-CD2 4.39Å; L174-L225 WeakPolarHBondContact O-CD2 3.1Å; F177-L225 HydrophobicContact CB-CD2 3.86Å; F178-L225 HydrophobicContact CB-CD1 3.73Å; F178-L225 HydrophobicContact CD2-CD1 3.76Å; F178-L225 HydrophobicContact CG-CD1 4.24Å; G221-L225 VanDerWaalsContact O-CG 3.3Å; G221-L225 WeakPolarHBondContact O-CG 3.47Å; G221-L225 PolarHBondContact O-N 2.95Å; I222-L225 HydrophobicContact CD1-CD1 4.17Å; I222-L225 PolarHBondContact O-N 3.03Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.09Å; L225-T227 VanDerWaalsContact C-N 3.28Å; L225-T227 PolarHBondContact O-N 3.28Å; L225-I228 PolarHBondContact O-N 3.03Å; L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 PolarHBondContact O-N 3.37Å
226K94.2Very high92.8Very high149 Ų14954 Ų5465%0.64826%0.26SS*.Hα-helixtrans-63.2-35.2176.8-72.4171.5-176.4170.80112.1I222 E223 L224 P230I222-K226 WeakPolarHBondContact O-CG 3.06Å; I222-K226 PolarHBondContact O-N 3.16Å; I222-K226 VanDerWaalsContact O-N 3.08Å; E223-K226 PolarHBondContact O-N 2.99Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.29Å; K226-P230 WeakPolarHBondContact O-CD 3.35Å
227T93.2Very high92.4Very high47 Ų4753.8 Ų53.829%0.28826%0.26SS..Hα-helixtrans-73-41.1-179.5-62.40000112.3E223 L224 L225 P230 R336E223-T227 PolarHBondContact O-N 3.02Å; E223-T227 PolarHBondContact O-OG1 3.34Å; L224-T227 PolarHBondContact O-N 3.43Å; L224-T227 VanDerWaalsContact O-N 3.13Å; L225-T227 VanDerWaalsContact C-N 3.28Å; L225-T227 PolarHBondContact O-N 3.28Å; T227-P230 WeakPolarHBondContact O-CD 3.42Å; T227-R336 HydrophobicContact CG2-CG 4.2Å; T227-R336 PolarHBondContact O-NE 2.85Å; T227-R336 VanDerWaalsContact O-NE 3.07Å
228I92.1Very high92Very high2 Ų254.5 Ų54.51%0.0126%0.263CS..Hα-helixtrans-87.7-32-174.6-65.5178.5000111.9T170 L174 L224 L225 P230 M231 F337 M341T170-I228 HydrophobicContact CG2-CG2 4.19Å; L174-I228 HydrophobicContact CD1-CG2 4.15Å; L174-I228 HydrophobicContact CD2-CB 3.83Å; L174-I228 HydrophobicContact CD2-CG2 3.64Å; L174-I228 HydrophobicContact CG-CG2 4.16Å; L224-I228 HydrophobicContact CD1-CD1 3.39Å; L224-I228 HydrophobicContact CD1-CG1 4.08Å; L224-I228 HydrophobicContact CG-CD1 3.84Å; L224-I228 WeakPolarHBondContact O-CG1 3.27Å; L224-I228 PolarHBondContact O-N 2.92Å; L225-I228 PolarHBondContact O-N 3.03Å; I228-P230 VanDerWaalsContact C-CD 3.42Å; I228-P230 VanDerWaalsContact C-N 3.34Å; I228-M231 HydrophobicContact CG2-CE 3.45Å; I228-M231 VanDerWaalsContact CG2-CE 3.45Å; I228-M231 WeakPolarHBondContact O-CB 3.49Å; I228-M231 PolarHBondContact O-N 3.13Å; I228-F337 HydrophobicContact CD1-CD2 3.75Å; I228-F337 HydrophobicContact CD1-CE2 3.98Å; I228-F337 HydrophobicContact CG1-CD2 4.32Å; I228-F337 HydrophobicContact CG2-CD2 4.14Å; I228-M341 HydrophobicContact CD1-CG 4.28Å; I228-M341 HydrophobicContact CD1-SD 4.22Å
229K91.6Very high91.6Very high145 Ų14553.8 Ų53.863%0.6326%0.26SS*.Hα-helixtrans-51.4-40.2-177.8-178.7177.2-176.5178.40114.8L225 M231 L232L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 PolarHBondContact O-N 3.37Å; K229-M231 PolarHBondContact O-N 3.17Å; K229-L232 WeakPolarHBondContact O-CB 3.38Å; K229-L232 PolarHBondContact O-N 2.94Å; K229-L232 VanDerWaalsContact O-N 3.14Å
230P90.7Very high91.3Very high47 Ų4753.3 Ų53.331%0.30526%0.259SS..Hα-helixtrans-56.5-32.2175.8-27.836000114.4K226 T227 I228 L232 H233 D234K226-P230 WeakPolarHBondContact O-CD 3.35Å; T227-P230 WeakPolarHBondContact O-CD 3.42Å; I228-P230 VanDerWaalsContact C-CD 3.42Å; I228-P230 VanDerWaalsContact C-N 3.34Å; P230-L232 PolarHBondContact O-N 3.26Å; P230-H233 WeakPolarHBondContact O-CB 3.39Å; P230-H233 PolarHBondContact O-N 2.99Å; P230-D234 PolarHBondContact O-N 3.44Å
231M89.5Confident91Very high4 Ų457.2 Ų57.22%0.0228%0.277CS..Hα-helixtrans-56.1-36.3177.3174.7175.136.700112T170 I228 K229 H233 D234 L235 Q333 F337T170-M231 HydrophobicContact CG2-CE 3.72Å; I228-M231 HydrophobicContact CG2-CE 3.45Å; I228-M231 VanDerWaalsContact CG2-CE 3.45Å; I228-M231 WeakPolarHBondContact O-CB 3.49Å; I228-M231 PolarHBondContact O-N 3.13Å; K229-M231 PolarHBondContact O-N 3.17Å; M231-H233 VanDerWaalsContact C-N 3.27Å; M231-H233 PolarHBondContact O-N 3.04Å; M231-D234 PolarHBondContact O-N 3.32Å; M231-L235 HydrophobicContact CG-CD1 3.73Å; M231-L235 HydrophobicContact CG-CG 4.1Å; M231-L235 WeakPolarHBondContact O-CB 3.43Å; M231-L235 VanDerWaalsContact O-CG 3.29Å; M231-L235 WeakPolarHBondContact O-CG 3.41Å; M231-L235 PolarHBondContact O-N 3.11Å; M231-L235 HydrophobicContact SD-CD1 4.3Å; M231-Q333 VanDerWaalsContact CA-OE1 3.26Å; M231-Q333 VanDerWaalsContact CB-OE1 3.25Å; M231-Q333 HydrophobicContact CG-CB 3.86Å; M231-Q333 HydrophobicContact CG-CG 4.03Å; M231-Q333 HydrophobicContact SD-CB 3.9Å; M231-F337 HydrophobicContact CE-CB 4.02Å; M231-F337 HydrophobicContact CE-CD2 3.85Å; M231-F337 HydrophobicContact CE-CG 4.28Å; M231-F337 HydrophobicContact SD-CB 4.45Å
232L88.9Confident90.7Very high29 Ų2958.6 Ų58.615%0.15229%0.288CS..Hα-helixtrans-63.4-34.3177.4-66.4-179.3000112.4M167 T170 K171 L174 K229 P230 N236M167-L232 HydrophobicContact CG-CD2 4.03Å; T170-L232 HydrophobicContact CG2-CD2 3.62Å; T170-L232 HydrophobicContact CG2-CG 4.23Å; K171-L232 HydrophobicContact CG-CD1 3.62Å; K171-L232 HydrophobicContact CG-CD2 3.79Å; K171-L232 HydrophobicContact CG-CG 4.37Å; L174-L232 HydrophobicContact CD1-CD1 3.71Å; L174-L232 HydrophobicContact CD1-CG 4.24Å; K229-L232 WeakPolarHBondContact O-CB 3.38Å; K229-L232 PolarHBondContact O-N 2.94Å; K229-L232 VanDerWaalsContact O-N 3.14Å; P230-L232 PolarHBondContact O-N 3.26Å; L232-N236 WeakPolarHBondContact O-CB 3.1Å; L232-N236 PolarHBondContact O-N 3.27Å
233H87.9Confident90.4Very high125 Ų12556.7 Ų56.758%0.57928%0.278SS*.Hα-helixtrans-67.9-42.6178.5-176.577000111.4P230 M231 N236 T237P230-H233 WeakPolarHBondContact O-CB 3.39Å; P230-H233 PolarHBondContact O-N 2.99Å; M231-H233 VanDerWaalsContact C-N 3.27Å; M231-H233 PolarHBondContact O-N 3.04Å; H233-N236 PolarHBondContact O-N 3.35Å; H233-T237 PolarHBondContact O-N 3.4Å; H233-T237 PolarHBondContact O-OG1 2.96Å; H233-T237 VanDerWaalsContact O-OG1 3.13Å
234D85.3Confident90.2Very high64 Ų6454 Ų5434%0.34227%0.271SS..Hα-helixtrans-70-46.4-178.1-63.1-25.6000110.9P230 M231 N236 T237 Y238 Q333P230-D234 PolarHBondContact O-N 3.44Å; M231-D234 PolarHBondContact O-N 3.32Å; D234-N236 VanDerWaalsContact C-N 3.3Å; D234-N236 PolarHBondContact O-N 2.92Å; D234-T237 PolarHBondContact O-N 2.98Å; D234-Y238 PolarHBondContact O-N 2.92Å; D234-Q333 PolarHBondContact OD2-NE2 3Å
235L86.9Confident90Very high8 Ų857.5 Ų57.54%0.04229%0.29CS..Hα-helixtrans-59.2-40.9173.4-67.4175.2000111.7Y163 L166 M231 Y238 L239 I330Y163-L235 HydrophobicContact CD1-CD2 3.62Å; Y163-L235 HydrophobicContact CE1-CD2 3.65Å; L166-L235 HydrophobicContact CD2-CD1 4.19Å; L166-L235 HydrophobicContact CD2-CD2 4.29Å; L166-L235 HydrophobicContact CG-CD1 4.3Å; M231-L235 HydrophobicContact CG-CD1 3.73Å; M231-L235 HydrophobicContact CG-CG 4.1Å; M231-L235 WeakPolarHBondContact O-CB 3.43Å; M231-L235 VanDerWaalsContact O-CG 3.29Å; M231-L235 WeakPolarHBondContact O-CG 3.41Å; M231-L235 PolarHBondContact O-N 3.11Å; M231-L235 HydrophobicContact SD-CD1 4.3Å; L235-Y238 PolarHBondContact O-N 3.45Å; L235-L239 WeakPolarHBondContact O-CB 3.18Å; L235-L239 PolarHBondContact O-N 2.9Å; L235-I330 HydrophobicContact CD2-CD1 4.26Å
236N89.6Confident89.8Confident60 Ų6056.6 Ų56.632%0.32129%0.286SS..Hα-helixtrans-65-39.6177.4-174.387.2000111.8M167 L232 H233 D234 L239 H240M167-N236 HydrophobicContact SD-CB 4.26Å; L232-N236 WeakPolarHBondContact O-CB 3.1Å; L232-N236 PolarHBondContact O-N 3.27Å; H233-N236 PolarHBondContact O-N 3.35Å; D234-N236 VanDerWaalsContact C-N 3.3Å; D234-N236 PolarHBondContact O-N 2.92Å; N236-L239 PolarHBondContact O-N 3.49Å; N236-H240 WeakPolarHBondContact O-CB 3.33Å; N236-H240 PolarHBondContact O-CD2 2.96Å; N236-H240 PolarHBondContact O-N 2.95Å; N236-H240 PolarHBondContact OD1-CD2 3.3Å
237T89.2Confident89.5Confident43 Ų4351.3 Ų51.326%0.26426%0.263SS..Hα-helixtrans-63.6-43.7175.2-69.30000111.5H233 D234 K241 A242H233-T237 PolarHBondContact O-N 3.4Å; H233-T237 PolarHBondContact O-OG1 2.96Å; H233-T237 VanDerWaalsContact O-OG1 3.13Å; D234-T237 PolarHBondContact O-N 2.98Å; T237-K241 HydrophobicContact CG2-CD 4.29Å; T237-K241 WeakPolarHBondContact O-CA 3.26Å; T237-K241 VanDerWaalsContact O-CB 3.27Å; T237-K241 WeakPolarHBondContact O-CB 3.46Å; T237-K241 PolarHBondContact O-N 3.05Å; T237-A242 PolarHBondContact O-N 3.06Å
238Y86.8Confident89.3Confident20 Ų2052.9 Ų52.98%0.07827%0.269CS..Iπ-helixtrans-60.9-50.4175.9-175.9-109.5000111.8Y163 D234 L235 A242 I243 L322 H326Y163-Y238 AromaticContact CD1-CD1 3.74Å; Y163-Y238 HydrophobicContact CD1-CD1 3.74Å; Y163-Y238 HydrophobicContact CD1-CE1 4.11Å; Y163-Y238 HydrophobicContact CD2-CE1 4.46Å; Y163-Y238 AromaticContact CE1-CD1 3.98Å; Y163-Y238 HydrophobicContact CE1-CD1 3.98Å; Y163-Y238 HydrophobicContact CE1-CE1 4.16Å; Y163-Y238 HydrophobicContact CG-CD1 4.2Å; Y163-Y238 HydrophobicContact CG-CE1 4.26Å; D234-Y238 PolarHBondContact O-N 2.92Å; L235-Y238 PolarHBondContact O-N 3.45Å; Y238-A242 HydrophobicContact CD2-CB 4.01Å; Y238-A242 HydrophobicContact CE2-CB 4.47Å; Y238-A242 WeakPolarHBondContact O-CB 3.5Å; Y238-A242 PolarHBondContact O-N 3.43Å; Y238-I243 HydrophobicContact CD1-CD1 4.01Å; Y238-I243 HydrophobicContact CD1-CG1 4.32Å; Y238-I243 HydrophobicContact CE1-CD1 3.61Å; Y238-I243 HydrophobicContact CE1-CG1 3.94Å; Y238-I243 HydrophobicContact CE2-CG1 4.48Å; Y238-I243 PolarHBondContact O-N 3.22Å; Y238-L322 HydrophobicContact CD2-CD1 4.38Å; Y238-L322 HydrophobicContact CE2-CD1 3.66Å; Y238-L322 HydrophobicContact CE2-CG 4.15Å; Y238-H326 AromaticContact CE1-CE1 3.73Å; Y238-H326 AromaticContact CE1-ND1 3.36Å; Y238-H326 WeakPolarHBondContact CE1-ND1 3.28Å; Y238-H326 HydrophobicContact CE2-CB 3.92Å; Y238-H326 AromaticContact CE2-ND1 3.65Å; Y238-H326 AromaticContact CZ-CE1 3.73Å; Y238-H326 AromaticContact CZ-CG 3.86Å; Y238-H326 AromaticContact CZ-ND1 3.08Å; Y238-H326 PolarHBondContact OH-CE1 2.97Å; Y238-H326 PolarHBondContact OH-ND1 3.38Å
239L88.8Confident89.2Confident20 Ų2053.8 Ų53.811%0.10527%0.274CS..Iπ-helixtrans-68.5-41.3-175.5-173.664.8000113.5A160 K164 M167 L235 N236 I243 P244A160-L239 HydrophobicContact CB-CD1 4.08Å; A160-L239 VanDerWaalsContact O-CD1 3.32Å; A160-L239 WeakPolarHBondContact O-CD1 3.4Å; K164-L239 HydrophobicContact CB-CD2 3.94Å; K164-L239 HydrophobicContact CG-CD2 4.28Å; M167-L239 HydrophobicContact CE-CD2 3.97Å; L235-L239 WeakPolarHBondContact O-CB 3.18Å; L235-L239 PolarHBondContact O-N 2.9Å; N236-L239 PolarHBondContact O-N 3.49Å; L239-I243 HydrophobicContact CD1-CD1 4.27Å; L239-P244 VanDerWaalsContact O-CD 3.27Å; L239-P244 WeakPolarHBondContact O-CD 3.48Å
240H90.3Very high89.1Confident106 Ų10646.9 Ų46.949%0.49125%0.245SC..Iπ-helixtrans-102-10.9-171.2-64.3-71.4000114.6N236N236-H240 WeakPolarHBondContact O-CB 3.33Å; N236-H240 PolarHBondContact O-CD2 2.96Å; N236-H240 PolarHBondContact O-N 2.95Å; N236-H240 PolarHBondContact OD1-CD2 3.3Å
241K90.3Very high88.9Confident141 Ų14151.9 Ų51.961%0.61326%0.257SS*.Iπ-helixtrans-119.2-56.8176.4-56.4-176.2179.3172.90112.2T237 D245T237-K241 HydrophobicContact CG2-CD 4.29Å; T237-K241 WeakPolarHBondContact O-CA 3.26Å; T237-K241 VanDerWaalsContact O-CB 3.27Å; T237-K241 WeakPolarHBondContact O-CB 3.46Å; T237-K241 PolarHBondContact O-N 3.05Å; K241-D245 VanDerWaalsContact O-CB 3.26Å; K241-D245 WeakPolarHBondContact O-CB 3.41Å; K241-D245 PolarHBondContact O-N 3.26Å
242A89.3Confident89Confident28 Ų2857 Ų5723%0.23128%0.279CS..Iπ-helixtrans-69.4-49.7-171.500000112.8T237 Y238 D245 T246 L322T237-A242 PolarHBondContact O-N 3.06Å; Y238-A242 HydrophobicContact CD2-CB 4.01Å; Y238-A242 HydrophobicContact CE2-CB 4.47Å; Y238-A242 WeakPolarHBondContact O-CB 3.5Å; Y238-A242 PolarHBondContact O-N 3.43Å; A242-D245 PolarHBondContact O-N 3.37Å; A242-T246 PolarHBondContact O-N 3.13Å; A242-T246 VanDerWaalsContact O-N 3.1Å; A242-T246 PolarHBondContact O-OG1 3.36Å; A242-L322 HydrophobicContact CB-CD1 3.71Å
243I88.8Confident89.1Confident4 Ų455.7 Ų55.72%0.02127%0.272CS..Hα-helixtrans-61.6-50.6178.8-65.4179.4000111.8L156 A160 Y238 L239 D245 T246 K247L156-I243 HydrophobicContact CD1-CG1 4.24Å; L156-I243 HydrophobicContact CD2-CG2 4.28Å; L156-I243 HydrophobicContact CG-CG2 4.14Å; A160-I243 HydrophobicContact CB-CD1 3.65Å; A160-I243 HydrophobicContact CB-CG2 4.17Å; Y238-I243 HydrophobicContact CD1-CD1 4.01Å; Y238-I243 HydrophobicContact CD1-CG1 4.32Å; Y238-I243 HydrophobicContact CE1-CD1 3.61Å; Y238-I243 HydrophobicContact CE1-CG1 3.94Å; Y238-I243 HydrophobicContact CE2-CG1 4.48Å; Y238-I243 PolarHBondContact O-N 3.22Å; L239-I243 HydrophobicContact CD1-CD1 4.27Å; I243-D245 VanDerWaalsContact C-N 3.3Å; I243-D245 PolarHBondContact O-N 3.49Å; I243-T246 PolarHBondContact O-N 3.48Å; I243-K247 HydrophobicContact CG2-CD 4.2Å; I243-K247 HydrophobicContact CG2-CG 4.25Å; I243-K247 WeakPolarHBondContact O-CG 3.27Å; I243-K247 PolarHBondContact O-N 3.45Å
244P90.5Very high89.1Confident61 Ų6151 Ų5140%0.39625%0.252SS..Hα-helixtrans-60.6-37180-27.137.6000113.5L239 K247 L248L239-P244 VanDerWaalsContact O-CD 3.27Å; L239-P244 WeakPolarHBondContact O-CD 3.48Å; P244-K247 PolarHBondContact O-N 2.96Å; P244-L248 WeakPolarHBondContact O-CB 3.48Å; P244-L248 PolarHBondContact O-N 3.44Å
245D90.9Very high89.3Confident81 Ų8150.6 Ų50.643%0.43325%0.249SC..Hα-helixtrans-65.9-43.1177.2178.948.6000112.1K241 A242 I243 L248 T249 K318K241-D245 VanDerWaalsContact O-CB 3.26Å; K241-D245 WeakPolarHBondContact O-CB 3.41Å; K241-D245 PolarHBondContact O-N 3.26Å; A242-D245 PolarHBondContact O-N 3.37Å; I243-D245 VanDerWaalsContact C-N 3.3Å; I243-D245 PolarHBondContact O-N 3.49Å; D245-L248 PolarHBondContact O-N 2.74Å; D245-T249 PolarHBondContact O-N 3.39Å; D245-T249 VanDerWaalsContact O-N 3.11Å; D245-T249 PolarHBondContact O-OG1 3.37Å; D245-K318 PolarHBondContact O-NZ 3.31Å; D245-K318 IonicContact OD1-NZ 3.68Å; D245-K318 PolarHBondContact OD1-NZ 3.39Å; D245-K318 VanDerWaalsContact OD1-NZ 3.13Å; D245-K318 WeakPolarHBondContact OD2-CE 3.46Å; D245-K318 IonicContact OD2-NZ 2.97Å; D245-K318 PolarHBondContact OD2-NZ 2.88Å
246T90.6Very high89.5Confident5 Ų551 Ų513%0.03125%0.252CS..Hα-helixtrans-66-42.5173.8-61.70000111.8L156 A242 I243 L248 T249 I250 I319 L322L156-T246 HydrophobicContact CD2-CG2 3.94Å; A242-T246 PolarHBondContact O-N 3.13Å; A242-T246 VanDerWaalsContact O-N 3.1Å; A242-T246 PolarHBondContact O-OG1 3.36Å; I243-T246 PolarHBondContact O-N 3.48Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.3Å; T246-T249 PolarHBondContact O-N 3.01Å; T246-I250 HydrophobicContact CG2-CD1 4.09Å; T246-I250 WeakPolarHBondContact O-CG1 3.33Å; T246-I250 PolarHBondContact O-N 2.92Å; T246-I319 HydrophobicContact CG2-CG1 4.08Å; T246-L322 HydrophobicContact CG2-CD2 4.04Å
247K87.8Confident89.5Confident38 Ų3848.2 Ų48.217%0.16524%0.237CC..Hα-helixtrans-57.6-41.8173.4-73.8-170.8177.6-162.50112L153 L156 E157 I243 P244 I250 R251L153-K247 HydrophobicContact CD1-CB 4.41Å; L153-K247 HydrophobicContact CD1-CG 3.9Å; L156-K247 HydrophobicContact CD2-CG 4.01Å; E157-K247 IonicContact OE1-NZ 2.78Å; E157-K247 PolarHBondContact OE1-NZ 3.46Å; I243-K247 HydrophobicContact CG2-CD 4.2Å; I243-K247 HydrophobicContact CG2-CG 4.25Å; I243-K247 WeakPolarHBondContact O-CG 3.27Å; I243-K247 PolarHBondContact O-N 3.45Å; P244-K247 PolarHBondContact O-N 2.96Å; K247-I250 PolarHBondContact O-N 3.2Å; K247-R251 WeakPolarHBondContact O-CG 3.34Å; K247-R251 PolarHBondContact O-N 3.41Å
248L89.9Confident89.6Confident79 Ų7946.6 Ų46.641%0.41423%0.226SC..Hα-helixtrans-62.7-42.6177.5-18062.6000111.5P244 D245 T246 R251 K252P244-L248 WeakPolarHBondContact O-CB 3.48Å; P244-L248 PolarHBondContact O-N 3.44Å; D245-L248 PolarHBondContact O-N 2.74Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.3Å; L248-R251 PolarHBondContact O-N 2.94Å; L248-K252 WeakPolarHBondContact O-CG 3.45Å; L248-K252 PolarHBondContact O-N 3.37Å
249T90.8Very high89.8Confident21 Ų2146.4 Ų46.413%0.12923%0.227CC..Hα-helixtrans-62.1-44175.2-65.30000111.8D245 T246 R251 K252 Y253 V315 K318D245-T249 PolarHBondContact O-N 3.39Å; D245-T249 VanDerWaalsContact O-N 3.11Å; D245-T249 PolarHBondContact O-OG1 3.37Å; T246-T249 PolarHBondContact O-N 3.01Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 PolarHBondContact O-N 2.99Å; T249-K252 PolarHBondContact O-N 3.33Å; T249-Y253 PolarHBondContact O-N 3.49Å; T249-V315 HydrophobicContact CG2-CG2 3.74Å; T249-K318 HydrophobicContact CG2-CD 3.94Å; T249-K318 PolarHBondContact OG1-NZ 3.47Å
250I88.4Confident90Very high1 Ų147 Ų471%0.00523%0.227CC..Hα-helixtrans-62.2-40.9175.8-64.5165.6000111.2L153 T246 K247 K252 Y253 L254 V315 I319L153-I250 HydrophobicContact CB-CD1 4.36Å; L153-I250 HydrophobicContact CB-CG2 4.28Å; L153-I250 HydrophobicContact CD1-CB 4.24Å; L153-I250 HydrophobicContact CD1-CD1 3.73Å; L153-I250 HydrophobicContact CD1-CG2 4.08Å; L153-I250 HydrophobicContact CD2-CG2 4.13Å; L153-I250 HydrophobicContact CG-CG2 4.4Å; T246-I250 HydrophobicContact CG2-CD1 4.09Å; T246-I250 WeakPolarHBondContact O-CG1 3.33Å; T246-I250 PolarHBondContact O-N 2.92Å; K247-I250 PolarHBondContact O-N 3.2Å; I250-K252 PolarHBondContact O-N 3.34Å; I250-Y253 VanDerWaalsContact O-CB 3.32Å; I250-Y253 WeakPolarHBondContact O-CB 3.39Å; I250-Y253 PolarHBondContact O-N 3.07Å; I250-L254 HydrophobicContact CG2-CD1 4.41Å; I250-L254 WeakPolarHBondContact O-CG 3.37Å; I250-L254 PolarHBondContact O-N 2.95Å; I250-V315 HydrophobicContact CG1-CG1 3.81Å; I250-I319 HydrophobicContact CD1-CD1 4.04Å; I250-I319 HydrophobicContact CD1-CG1 4.38Å; I250-I319 HydrophobicContact CG1-CD1 4.36Å
251R87.1Confident90.1Very high152 Ų15242.3 Ų42.357%0.57421%0.206SC*.Hα-helixtrans-62.7-42.3175.8-73.1175.4-173.2163.31.2112.4K247 L248 T249 Y253 L254 D255K247-R251 WeakPolarHBondContact O-CG 3.34Å; K247-R251 PolarHBondContact O-N 3.41Å; L248-R251 PolarHBondContact O-N 2.94Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 PolarHBondContact O-N 2.99Å; R251-Y253 VanDerWaalsContact C-N 3.29Å; R251-Y253 PolarHBondContact O-N 2.91Å; R251-L254 PolarHBondContact O-N 3.27Å; R251-D255 PolarHBondContact O-N 2.99Å; R251-D255 VanDerWaalsContact O-N 3.1Å
252K91.1Very high90.2Very high111 Ų11135.6 Ų35.648%0.48318%0.177SC..Hα-helixtrans-61-40.4174.3-72.6174.5179.8176.40111.2L248 T249 I250 D255 V256L248-K252 WeakPolarHBondContact O-CG 3.45Å; L248-K252 PolarHBondContact O-N 3.37Å; T249-K252 PolarHBondContact O-N 3.33Å; I250-K252 PolarHBondContact O-N 3.34Å; K252-D255 WeakPolarHBondContact O-CB 3.32Å; K252-D255 PolarHBondContact O-N 3.35Å; K252-V256 WeakPolarHBondContact O-CG2 3.33Å; K252-V256 PolarHBondContact O-N 2.93Å; K252-V256 VanDerWaalsContact O-N 3.16Å
253Y91Very high90.4Very high1 Ų134.4 Ų34.40%0.00417%0.167CC..Hα-helixtrans-61-48.9174.6166.5-102.1000113.5D147 L149 T249 I250 R251 D255 V256 K257 F308 M311 R312 V315D147-Y253 WeakPolarHBondContact OD2-CE1 3.42Å; D147-Y253 PolarHBondContact OD2-OH 2.93Å; L149-Y253 HydrophobicContact CB-CE1 4.22Å; L149-Y253 HydrophobicContact CD1-CD1 3.86Å; L149-Y253 HydrophobicContact CD1-CE1 3.34Å; L149-Y253 HydrophobicContact CD1-CE2 4.26Å; L149-Y253 HydrophobicContact CD1-CG 4.48Å; L149-Y253 HydrophobicContact CG-CE1 4.4Å; T249-Y253 PolarHBondContact O-N 3.49Å; I250-Y253 VanDerWaalsContact O-CB 3.32Å; I250-Y253 WeakPolarHBondContact O-CB 3.39Å; I250-Y253 PolarHBondContact O-N 3.07Å; R251-Y253 VanDerWaalsContact C-N 3.29Å; R251-Y253 PolarHBondContact O-N 2.91Å; Y253-D255 PolarHBondContact O-N 3.49Å; Y253-V256 PolarHBondContact O-N 3.48Å; Y253-V256 VanDerWaalsContact O-N 3.13Å; Y253-K257 HydrophobicContact CE1-CD 4.35Å; Y253-K257 WeakPolarHBondContact O-CB 3.5Å; Y253-K257 PolarHBondContact O-N 2.96Å; Y253-F308 AromaticContact CE2-CD2 3.79Å; Y253-F308 HydrophobicContact CE2-CD2 3.79Å; Y253-F308 AromaticContact CE2-CE2 3.49Å; Y253-F308 HydrophobicContact CE2-CE2 3.49Å; Y253-F308 VanDerWaalsContact CE2-CE2 3.49Å; Y253-F308 HydrophobicContact CE2-CZ 4.43Å; Y253-F308 AromaticContact CZ-CE2 3.64Å; Y253-F308 WeakPolarHBondContact OH-CE2 3.46Å; Y253-M311 HydrophobicContact CD2-CB 4.19Å; Y253-M311 HydrophobicContact CD2-CG 3.96Å; Y253-M311 HydrophobicContact CG-CG 4.37Å; Y253-R312 HydrophobicContact CD2-CB 4.35Å; Y253-R312 HydrophobicContact CE2-CB 3.64Å; Y253-R312 HydrophobicContact CE2-CG 3.96Å; Y253-V315 VanDerWaalsContact CB-CG2 3.48Å; Y253-V315 HydrophobicContact CD2-CG2 4.24Å; Y253-V315 HydrophobicContact CG-CG2 3.88Å
254L87.1Confident90.6Very high27 Ų2736 Ų3614%0.14118%0.177CC..Hα-helixtrans-58.3-38.7177.3-69.7173.6000111.3V150 I250 R251 V256 K257 F258V150-L254 HydrophobicContact CG2-CD2 4.13Å; I250-L254 HydrophobicContact CG2-CD1 4.41Å; I250-L254 WeakPolarHBondContact O-CG 3.37Å; I250-L254 PolarHBondContact O-N 2.95Å; R251-L254 PolarHBondContact O-N 3.27Å; L254-V256 PolarHBondContact O-N 3.29Å; L254-K257 HydrophobicContact CD2-CD 4.33Å; L254-K257 WeakPolarHBondContact O-CB 3.34Å; L254-K257 PolarHBondContact O-N 3.28Å; L254-F258 HydrophobicContact CB-CE2 4.05Å; L254-F258 HydrophobicContact CD2-CZ 4.49Å; L254-F258 WeakPolarHBondContact O-CD2 3.38Å; L254-F258 WeakPolarHBondContact O-CG 3.06Å; L254-F258 PolarHBondContact O-N 3.01Å
255D89.8Confident90.6Very high55 Ų5535 Ų3529%0.29417%0.169SC..Hα-helixtrans-61.9-43.5176.8-165.167.9000112.8K120 R124 R251 K252 Y253 E259K120-D255 VanDerWaalsContact CE-CG 3.49Å; K120-D255 VanDerWaalsContact CE-O 3.26Å; K120-D255 WeakPolarHBondContact CE-O 3.37Å; K120-D255 WeakPolarHBondContact CE-OD1 3.39Å; K120-D255 PolarHBondContact NZ-O 3.32Å; K120-D255 IonicContact NZ-OD1 2.66Å; K120-D255 PolarHBondContact NZ-OD1 3.1Å; K120-D255 IonicContact NZ-OD2 2.86Å; K120-D255 PolarHBondContact NZ-OD2 3.17Å; R124-D255 IonicContact NH2-OD1 3.82Å; R124-D255 PolarHBondContact NH2-OD1 3.34Å; R124-D255 VanDerWaalsContact NH2-OD1 3.13Å; R251-D255 PolarHBondContact O-N 2.99Å; R251-D255 VanDerWaalsContact O-N 3.1Å; K252-D255 WeakPolarHBondContact O-CB 3.32Å; K252-D255 PolarHBondContact O-N 3.35Å; Y253-D255 PolarHBondContact O-N 3.49Å; D255-E259 PolarHBondContact O-N 3.37Å
256V92.2Very high90.7Very high18 Ų1833 Ų3311%0.10916%0.156CC..Hα-helixtrans-69.8-39.2175.8178.40000111.6K252 Y253 L254 E259 Y260 R307 F308K252-V256 WeakPolarHBondContact O-CG2 3.33Å; K252-V256 PolarHBondContact O-N 2.93Å; K252-V256 VanDerWaalsContact O-N 3.16Å; Y253-V256 PolarHBondContact O-N 3.48Å; Y253-V256 VanDerWaalsContact O-N 3.13Å; L254-V256 PolarHBondContact O-N 3.29Å; V256-E259 PolarHBondContact O-N 3.04Å; V256-Y260 PolarHBondContact O-N 3.45Å; V256-R307 HydrophobicContact CG1-CB 3.85Å; V256-F308 HydrophobicContact CG1-CB 3.99Å
257K89.7Confident90.9Very high0 Ų032.9 Ų32.90%016%0.155CC..Hα-helixtrans-56.5-51.9173.4177.3-172.9175.4-174.50110.2E127 L144 Y253 L254 E259 Y260 L261 F308E127-K257 IonicContact OE1-NZ 2.88Å; E127-K257 PolarHBondContact OE1-NZ 3.42Å; L144-K257 WeakPolarHBondContact O-CE 3.06Å; Y253-K257 HydrophobicContact CE1-CD 4.35Å; Y253-K257 WeakPolarHBondContact O-CB 3.5Å; Y253-K257 PolarHBondContact O-N 2.96Å; L254-K257 HydrophobicContact CD2-CD 4.33Å; L254-K257 WeakPolarHBondContact O-CB 3.34Å; L254-K257 PolarHBondContact O-N 3.28Å; K257-E259 VanDerWaalsContact C-N 3.34Å; K257-E259 PolarHBondContact O-N 3.33Å; K257-Y260 PolarHBondContact O-N 2.91Å; K257-L261 HydrophobicContact CG-CD1 4.01Å; K257-L261 HydrophobicContact CG-CG 4.45Å; K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.32Å; K257-L261 PolarHBondContact O-N 3.35Å; K257-F308 HydrophobicContact CB-CD2 3.89Å; K257-F308 HydrophobicContact CB-CE2 3.78Å; K257-F308 HydrophobicContact CG-CD2 4.35Å; K257-F308 HydrophobicContact CG-CE2 3.82Å
258F90.2Very high91.1Very high9 Ų937 Ų374%0.03917%0.173CC..Hα-helixtrans-67.2-34.1-178.4-61.1-38.8000112.8K120 H123 R124 E127 L254 L261 S262K120-F258 HydrophobicContact CG-CB 3.79Å; H123-F258 HydrophobicContact CB-CB 4.19Å; H123-F258 HydrophobicContact CB-CD1 3.56Å; H123-F258 HydrophobicContact CB-CE1 4.15Å; H123-F258 HydrophobicContact CB-CG 4.02Å; R124-F258 HydrophobicContact CB-CD2 4.2Å; R124-F258 HydrophobicContact CB-CE2 4.05Å; R124-F258 HydrophobicContact CG-CE2 4.21Å; E127-F258 HydrophobicContact CB-CE1 4.18Å; E127-F258 HydrophobicContact CB-CZ 3.87Å; E127-F258 HydrophobicContact CG-CE1 4.3Å; E127-F258 HydrophobicContact CG-CZ 4.02Å; L254-F258 HydrophobicContact CB-CE2 4.05Å; L254-F258 HydrophobicContact CD2-CZ 4.49Å; L254-F258 WeakPolarHBondContact O-CD2 3.38Å; L254-F258 WeakPolarHBondContact O-CG 3.06Å; L254-F258 PolarHBondContact O-N 3.01Å; F258-L261 HydrophobicContact CD1-CD1 4.48Å; F258-S262 WeakPolarHBondContact O-CB 3.38Å; F258-S262 PolarHBondContact O-N 2.98Å; F258-S262 PolarHBondContact O-OG 3.41Å
259E92.3Very high91.2Very high17 Ų1736.9 Ų36.98%0.07917%0.17CC..Hα-helixtrans-60.1-50171-175.3-179.6-176.500111K120 D255 V256 K257 L261 S262 Y263 R307K120-E259 HydrophobicContact CD-CB 4.49Å; D255-E259 PolarHBondContact O-N 3.37Å; V256-E259 PolarHBondContact O-N 3.04Å; K257-E259 VanDerWaalsContact C-N 3.34Å; K257-E259 PolarHBondContact O-N 3.33Å; E259-L261 PolarHBondContact O-N 3.47Å; E259-S262 WeakPolarHBondContact O-CB 3.45Å; E259-S262 PolarHBondContact O-N 3.33Å; E259-Y263 HydrophobicContact CG-CD2 4.28Å; E259-Y263 HydrophobicContact CG-CE2 3.84Å; E259-Y263 VanDerWaalsContact O-CD2 3.26Å; E259-Y263 WeakPolarHBondContact O-CD2 3.46Å; E259-Y263 PolarHBondContact O-N 3.24Å; E259-R307 VanDerWaalsContact CD-NH2 3.33Å; E259-R307 IonicContact OE1-CZ 3.1Å; E259-R307 IonicContact OE1-NH1 3.53Å; E259-R307 PolarHBondContact OE1-NH1 3Å; E259-R307 IonicContact OE1-NH2 3.34Å; E259-R307 PolarHBondContact OE1-NH2 2.95Å; E259-R307 IonicContact OE2-CZ 2.82Å; E259-R307 IonicContact OE2-NH1 3.58Å; E259-R307 PolarHBondContact OE2-NH1 3.28Å; E259-R307 IonicContact OE2-NH2 2.98Å
260Y92.6Very high91.3Very high31 Ų3136 Ų3612%0.12217%0.165CC..Hα-helixtrans-59.7-46177171.2-122.6000112.6V256 K257 S262 Y263 C264 R301 A304 R305 F308V256-Y260 PolarHBondContact O-N 3.45Å; K257-Y260 PolarHBondContact O-N 2.91Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 3.31Å; Y260-Y263 PolarHBondContact O-N 2.74Å; Y260-C264 WeakPolarHBondContact CE2-SG 3.44Å; Y260-C264 PolarHBondContact O-N 3Å; Y260-C264 PolarHBondContact O-SG 3.25Å; Y260-R301 HydrophobicContact CD2-CG 4.37Å; Y260-R301 HydrophobicContact CE2-CG 4Å; Y260-A304 HydrophobicContact CD2-CB 4.29Å; Y260-R305 HydrophobicContact CD2-CB 3.82Å; Y260-R305 HydrophobicContact CE2-CB 3.46Å; Y260-R305 VanDerWaalsContact CE2-CB 3.46Å; Y260-R305 HydrophobicContact CE2-CG 3.84Å; Y260-F308 HydrophobicContact CD1-CB 4.4Å; Y260-F308 AromaticContact CD1-CD1 3.83Å; Y260-F308 HydrophobicContact CD1-CD1 3.83Å; Y260-F308 HydrophobicContact CD1-CE1 4.31Å; Y260-F308 HydrophobicContact CD1-CG 4.07Å; Y260-F308 HydrophobicContact CE1-CD1 4.12Å; Y260-F308 HydrophobicContact CE1-CE1 4.39Å; Y260-F308 HydrophobicContact CG-CB 4.38Å
261L90.9Very high91.6Very high9 Ų939 Ų395%0.04718%0.181CC..Hα-helixtrans-63.2-34.6178.5-66.8178.3000112.8A142 L144 K257 F258 E259 Y263 C264 L265A142-L261 HydrophobicContact CB-CD1 3.92Å; A142-L261 HydrophobicContact CB-CD2 4.05Å; A142-L261 HydrophobicContact CB-CG 4.4Å; L144-L261 HydrophobicContact CB-CD2 3.63Å; L144-L261 HydrophobicContact CD2-CD2 4.48Å; L144-L261 HydrophobicContact CG-CD2 4.47Å; K257-L261 HydrophobicContact CG-CD1 4.01Å; K257-L261 HydrophobicContact CG-CG 4.45Å; K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.32Å; K257-L261 PolarHBondContact O-N 3.35Å; F258-L261 HydrophobicContact CD1-CD1 4.48Å; E259-L261 PolarHBondContact O-N 3.47Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.48Å; L261-C264 WeakPolarHBondContact O-CB 3.46Å; L261-C264 PolarHBondContact O-N 3.14Å; L261-L265 WeakPolarHBondContact O-CB 3.39Å; L261-L265 PolarHBondContact O-N 2.98Å
262S92.6Very high91.8Very high0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-62.8-42175.9-57.30000111.4K120 F258 E259 Y260 L265 K266K120-S262 VanDerWaalsContact CA-OG 3.25Å; K120-S262 WeakPolarHBondContact CA-OG 3.48Å; K120-S262 PolarHBondContact N-OG 3.41Å; K120-S262 VanDerWaalsContact N-OG 3.07Å; F258-S262 WeakPolarHBondContact O-CB 3.38Å; F258-S262 PolarHBondContact O-N 2.98Å; F258-S262 PolarHBondContact O-OG 3.41Å; E259-S262 WeakPolarHBondContact O-CB 3.45Å; E259-S262 PolarHBondContact O-N 3.33Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 3.31Å; S262-L265 PolarHBondContact O-N 3.34Å; S262-K266 WeakPolarHBondContact O-CB 3.36Å; S262-K266 PolarHBondContact O-N 2.95Å
263Y94.2Very high91.9Very high3 Ų334.9 Ų34.91%0.01217%0.173CC..Hα-helixtrans-66.9-39.5173.8-73.7-61.4000112.6G111 I116 E259 Y260 L261 L265 K266 V267 V297 C300 A304G111-Y263 WeakPolarHBondContact O-CE1 3.39Å; G111-Y263 PolarHBondContact O-OH 3.18Å; I116-Y263 HydrophobicContact CD1-CD1 3.62Å; I116-Y263 HydrophobicContact CD1-CE1 3.73Å; I116-Y263 HydrophobicContact CD1-CG 4.35Å; I116-Y263 HydrophobicContact CG1-CD1 4.25Å; I116-Y263 HydrophobicContact CG1-CE1 3.82Å; I116-Y263 HydrophobicContact CG2-CE1 4.25Å; I116-Y263 HydrophobicContact CG2-CE2 4.42Å; E259-Y263 HydrophobicContact CG-CD2 4.28Å; E259-Y263 HydrophobicContact CG-CE2 3.84Å; E259-Y263 VanDerWaalsContact O-CD2 3.26Å; E259-Y263 WeakPolarHBondContact O-CD2 3.46Å; E259-Y263 PolarHBondContact O-N 3.24Å; Y260-Y263 PolarHBondContact O-N 2.74Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.48Å; Y263-L265 VanDerWaalsContact C-N 3.33Å; Y263-L265 PolarHBondContact O-N 3.04Å; Y263-K266 PolarHBondContact O-N 3.32Å; Y263-V267 WeakPolarHBondContact O-CG2 3.15Å; Y263-V267 PolarHBondContact O-N 2.91Å; Y263-V297 HydrophobicContact CD1-CG1 4.22Å; Y263-C300 HydrophobicContact CD1-CB 3.92Å; Y263-C300 HydrophobicContact CD2-CB 4.5Å; Y263-C300 HydrophobicContact CE1-CB 3.47Å; Y263-C300 VanDerWaalsContact CE1-CB 3.47Å; Y263-C300 HydrophobicContact CE2-CB 4.09Å; Y263-C300 HydrophobicContact CG-CB 4.43Å; Y263-A304 HydrophobicContact CD2-CB 3.8Å; Y263-A304 HydrophobicContact CE2-CB 4.22Å
264C92.5Very high92Very high37 Ų3736.5 Ų36.525%0.2518%0.18CC..Hα-helixtrans-60.4-43.7174.4-69.40000112.1Y260 L261 V267 K268Y260-C264 WeakPolarHBondContact CE2-SG 3.44Å; Y260-C264 PolarHBondContact O-N 3Å; Y260-C264 PolarHBondContact O-SG 3.25Å; L261-C264 WeakPolarHBondContact O-CB 3.46Å; L261-C264 PolarHBondContact O-N 3.14Å; C264-V267 PolarHBondContact O-N 3.05Å; C264-K268 PolarHBondContact O-N 2.91Å; C264-K268 VanDerWaalsContact O-N 3.08Å
265L91.1Very high92.1Very high40 Ų4043.7 Ų43.721%0.20921%0.207CC..Hα-helixtrans-64.7-44.1177-179.460.4000111.2K119 L261 S262 Y263 V267 K268 E269K119-L265 HydrophobicContact CD-CB 4.47Å; K119-L265 HydrophobicContact CD-CD2 4.15Å; K119-L265 HydrophobicContact CD-CG 4.34Å; K119-L265 HydrophobicContact CG-CD2 4.1Å; L261-L265 WeakPolarHBondContact O-CB 3.39Å; L261-L265 PolarHBondContact O-N 2.98Å; S262-L265 PolarHBondContact O-N 3.34Å; Y263-L265 VanDerWaalsContact C-N 3.33Å; Y263-L265 PolarHBondContact O-N 3.04Å; L265-V267 PolarHBondContact O-N 3.22Å; L265-K268 PolarHBondContact O-N 3.5Å; L265-E269 HydrophobicContact CD1-CG 4.38Å; L265-E269 WeakPolarHBondContact CG-OE1 3.35Å; L265-E269 WeakPolarHBondContact O-CG 3.3Å; L265-E269 PolarHBondContact O-N 3.17Å
266K93Very high92.3Very high39 Ų3944.1 Ų44.117%0.1721%0.214CC..Hα-helixtrans-60.8-44.4177.3-177.556.5170.3-168.10112.5D115 I116 K119 S262 Y263 K268 E269 M270 V297D115-K266 WeakPolarHBondContact OD2-CD 3.49Å; D115-K266 WeakPolarHBondContact OD2-CE 3.48Å; D115-K266 IonicContact OD2-NZ 2.93Å; D115-K266 PolarHBondContact OD2-NZ 3.06Å; I116-K266 HydrophobicContact CD1-CB 3.82Å; I116-K266 HydrophobicContact CD1-CG 4.17Å; K119-K266 HydrophobicContact CD-CB 4.4Å; S262-K266 WeakPolarHBondContact O-CB 3.36Å; S262-K266 PolarHBondContact O-N 2.95Å; Y263-K266 PolarHBondContact O-N 3.32Å; K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 2.76Å; K266-E269 PolarHBondContact O-N 3.32Å; K266-M270 HydrophobicContact CD-CG 4.28Å; K266-M270 HydrophobicContact CD-SD 4.34Å; K266-M270 HydrophobicContact CG-SD 4.21Å; K266-M270 VanDerWaalsContact O-CG 3.3Å; K266-M270 WeakPolarHBondContact O-CG 3.08Å; K266-M270 PolarHBondContact O-N 3.02Å; K266-V297 HydrophobicContact CB-CG1 4.29Å; K266-V297 HydrophobicContact CG-CG1 3.96Å; K266-V297 HydrophobicContact CG-CG2 4.38Å
267V93.8Very high92.2Very high2 Ų243.9 Ų43.91%0.01221%0.213CC..Hα-helixtrans-59.5-46.5175.8170.70000110.7Y263 C264 L265 E269 M270 D271 Y294 V297 L298Y263-V267 WeakPolarHBondContact O-CG2 3.15Å; Y263-V267 PolarHBondContact O-N 2.91Å; C264-V267 PolarHBondContact O-N 3.05Å; L265-V267 PolarHBondContact O-N 3.22Å; V267-E269 PolarHBondContact O-N 3.31Å; V267-M270 PolarHBondContact O-N 2.99Å; V267-D271 VanDerWaalsContact O-CG 3.25Å; V267-D271 PolarHBondContact O-N 3.41Å; V267-Y294 HydrophobicContact CG1-CE2 3.9Å; V267-V297 HydrophobicContact CG2-CG1 3.6Å; V267-L298 HydrophobicContact CG1-CD2 4.2Å; V267-L298 HydrophobicContact CG2-CD2 4.09Å
268K92.2Very high92.2Very high125 Ų12546.2 Ų46.254%0.54323%0.225SC..Hα-helixtrans-61-45.3178.7-177.4176.2173.7176.70112.3C264 L265 K266 M270 D271 D272C264-K268 PolarHBondContact O-N 2.91Å; C264-K268 VanDerWaalsContact O-N 3.08Å; L265-K268 PolarHBondContact O-N 3.5Å; K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 2.76Å; K268-M270 VanDerWaalsContact C-N 3.29Å; K268-M270 PolarHBondContact O-N 3.34Å; K268-D271 PolarHBondContact O-N 2.92Å; K268-D272 WeakPolarHBondContact O-CB 3.43Å; K268-D272 VanDerWaalsContact O-CG 3.26Å; K268-D272 PolarHBondContact O-N 2.93Å
269E92.8Very high92.2Very high76 Ų7649.5 Ų49.536%0.35525%0.254SS..Hα-helixtrans-59.1-41.2176.3-73.3170.2-172.500111.8K119 L265 K266 V267 D272 E273K119-E269 WeakPolarHBondContact CE-OE1 3.47Å; K119-E269 WeakPolarHBondContact CE-OE2 3.46Å; K119-E269 IonicContact NZ-OE1 2.92Å; K119-E269 PolarHBondContact NZ-OE1 2.98Å; K119-E269 IonicContact NZ-OE2 3.22Å; K119-E269 PolarHBondContact NZ-OE2 3.34Å; L265-E269 HydrophobicContact CD1-CG 4.38Å; L265-E269 WeakPolarHBondContact CG-OE1 3.35Å; L265-E269 WeakPolarHBondContact O-CG 3.3Å; L265-E269 PolarHBondContact O-N 3.17Å; K266-E269 PolarHBondContact O-N 3.32Å; V267-E269 PolarHBondContact O-N 3.31Å; E269-D272 PolarHBondContact O-N 3.39Å; E269-E273 WeakPolarHBondContact O-CB 3.21Å; E269-E273 PolarHBondContact O-N 3.06Å
270M93.9Very high92.2Very high4 Ų455.2 Ų55.22%0.0228%0.283CS..Hα-helixtrans-69.2-35.6177.3-67.6179.182.600112.7K266 V267 K268 E274 R286 E293 Y294 V297K266-M270 HydrophobicContact CD-CG 4.28Å; K266-M270 HydrophobicContact CD-SD 4.34Å; K266-M270 HydrophobicContact CG-SD 4.21Å; K266-M270 VanDerWaalsContact O-CG 3.3Å; K266-M270 WeakPolarHBondContact O-CG 3.08Å; K266-M270 PolarHBondContact O-N 3.02Å; V267-M270 PolarHBondContact O-N 2.99Å; K268-M270 VanDerWaalsContact C-N 3.29Å; K268-M270 PolarHBondContact O-N 3.34Å; M270-E274 WeakPolarHBondContact O-CB 3.29Å; M270-E274 PolarHBondContact O-N 3.08Å; M270-R286 PolarHBondContact O-NH2 3.41Å; M270-E293 HydrophobicContact CE-CB 4.46Å; M270-E293 HydrophobicContact CE-CG 4.21Å; M270-Y294 HydrophobicContact CB-CD2 3.75Å; M270-Y294 HydrophobicContact CB-CE2 4.03Å; M270-Y294 HydrophobicContact CE-CD2 4.02Å; M270-Y294 HydrophobicContact CE-CG 4.42Å; M270-Y294 HydrophobicContact CG-CD2 4.46Å; M270-Y294 HydrophobicContact SD-CD2 3.92Å; M270-V297 HydrophobicContact SD-CG2 4.22Å
271D92.9Very high91.9Very high64 Ų6456.3 Ų56.334%0.34230%0.303SS..Hα-helixtrans-66.3-44.8174.3-69.3-24.7000111V267 K268 E274 Y275 Y294V267-D271 VanDerWaalsContact O-CG 3.25Å; V267-D271 PolarHBondContact O-N 3.41Å; K268-D271 PolarHBondContact O-N 2.92Å; D271-E274 PolarHBondContact O-N 2.97Å; D271-Y275 WeakPolarHBondContact O-CB 3.26Å; D271-Y275 PolarHBondContact O-N 2.94Å; D271-Y294 WeakPolarHBondContact OD1-CE2 3.37Å; D271-Y294 PolarHBondContact OD1-OH 3.42Å
272D92.8Very high91.8Very high89 Ų8962.8 Ų62.848%0.47633%0.333SS..Hα-helixtrans-64.5-42.8179-69.8-21.4000110.6K268 E269 Y275 S276K268-D272 WeakPolarHBondContact O-CB 3.43Å; K268-D272 VanDerWaalsContact O-CG 3.26Å; K268-D272 PolarHBondContact O-N 2.93Å; E269-D272 PolarHBondContact O-N 3.39Å; D272-Y275 PolarHBondContact O-N 3.43Å; D272-S276 PolarHBondContact O-N 3.19Å; D272-S276 PolarHBondContact O-OG 2.91Å
273E93.2Very high91.5Very high87 Ų8765.2 Ų65.241%0.40735%0.348SS..Hα-helixtrans-63.5-43.9175.3-171.7-162.1175.200112.2E269 Y275 S276 S277 L284 R286E269-E273 WeakPolarHBondContact O-CB 3.21Å; E269-E273 PolarHBondContact O-N 3.06Å; E273-Y275 VanDerWaalsContact C-N 3.35Å; E273-S276 PolarHBondContact O-N 3.33Å; E273-S277 WeakPolarHBondContact O-CB 3.37Å; E273-S277 PolarHBondContact O-N 2.96Å; E273-S277 PolarHBondContact O-OG 3.36Å; E273-L284 HydrophobicContact CG-CD1 3.86Å; E273-R286 IonicContact OE1-NH1 2.8Å; E273-R286 PolarHBondContact OE1-NH1 3.5Å; E273-R286 VanDerWaalsContact OE1-NH1 3.1Å; E273-R286 IonicContact OE2-CZ 2.78Å; E273-R286 IonicContact OE2-NH1 3.2Å; E273-R286 PolarHBondContact OE2-NH1 2.95Å; E273-R286 IonicContact OE2-NH2 2.66Å; E273-R286 PolarHBondContact OE2-NH2 3.03Å
274E91.7Very high91.4Very high34 Ų3466.8 Ų66.816%0.15936%0.357CS..Hα-helixtrans-60.2-46.3175.7179.3177.6151.600110.5M270 D271 S277 I278 V287M270-E274 WeakPolarHBondContact O-CB 3.29Å; M270-E274 PolarHBondContact O-N 3.08Å; D271-E274 PolarHBondContact O-N 2.97Å; E274-S277 PolarHBondContact O-N 3.31Å; E274-I278 HydrophobicContact CG-CD1 3.75Å; E274-I278 HydrophobicContact CG-CG1 4.49Å; E274-I278 WeakPolarHBondContact O-CB 3.47Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.25Å; E274-I278 PolarHBondContact O-N 2.99Å; E274-V287 HydrophobicContact CG-CG2 4.14Å
275Y90.9Very high91.4Very high179 Ų17971.9 Ų71.970%0.70237%0.372SS*.Hα-helixtrans-61.2-47.1178.3-176.7-94.9000112.3D271 D272 E273 S277 I278 A279D271-Y275 WeakPolarHBondContact O-CB 3.26Å; D271-Y275 PolarHBondContact O-N 2.94Å; D272-Y275 PolarHBondContact O-N 3.43Å; E273-Y275 VanDerWaalsContact C-N 3.35Å; Y275-S277 VanDerWaalsContact C-N 3.34Å; Y275-S277 PolarHBondContact O-N 3.13Å; Y275-I278 PolarHBondContact O-N 3.42Å; Y275-A279 WeakPolarHBondContact O-CB 3.36Å; Y275-A279 PolarHBondContact O-N 3.45Å
276S92.8Very high91.5Very high64 Ų6471.8 Ų71.845%0.44837%0.369SS..Hα-helixtrans-61.4-41.9177.4-69.80000112.4D272 E273 A279 M280D272-S276 PolarHBondContact O-N 3.19Å; D272-S276 PolarHBondContact O-OG 2.91Å; E273-S276 PolarHBondContact O-N 3.33Å; S276-A279 PolarHBondContact O-N 3.49Å; S276-M280 WeakPolarHBondContact O-CG 3.3Å; S276-M280 PolarHBondContact O-N 3.22Å
277S91.3Very high91.5Very high12 Ų1270 Ų708%0.08436%0.362CS..Hα-helixtrans-68.7-42.5-178.5-53.30000111.7E273 E274 Y275 A279 M280 G281 E282 L284E273-S277 WeakPolarHBondContact O-CB 3.37Å; E273-S277 PolarHBondContact O-N 2.96Å; E273-S277 PolarHBondContact O-OG 3.36Å; E274-S277 PolarHBondContact O-N 3.31Å; Y275-S277 VanDerWaalsContact C-N 3.34Å; Y275-S277 PolarHBondContact O-N 3.13Å; S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.27Å; S277-M280 PolarHBondContact O-N 3.46Å; S277-M280 VanDerWaalsContact O-N 3.15Å; S277-G281 PolarHBondContact O-N 2.94Å; S277-E282 CarbonylContact C-O 3.5Å; S277-E282 VanDerWaalsContact CB-O 3.32Å; S277-E282 WeakPolarHBondContact CB-O 3.15Å; S277-E282 PolarHBondContact O-N 3.44Å; S277-E282 VanDerWaalsContact O-N 3.15Å; S277-L284 WeakPolarHBondContact OG-CD1 3.44Å; S277-L284 WeakPolarHBondContact OG-CD2 3.29Å; S277-L284 WeakPolarHBondContact OG-CG 3.32Å
278I88.4Confident91.4Very high49 Ų4971.2 Ų71.225%0.25137%0.37SS..Hα-helixtrans-61.9-40.1173.4-69.5170.1000111.2Y43 E274 Y275 M280 G281Y43-I278 HydrophobicContact CD2-CD1 3.93Å; Y43-I278 HydrophobicContact CD2-CG1 4.17Å; Y43-I278 HydrophobicContact CD2-CG2 4.41Å; Y43-I278 HydrophobicContact CE2-CD1 4.28Å; Y43-I278 HydrophobicContact CE2-CG1 4.26Å; Y43-I278 HydrophobicContact CE2-CG2 3.7Å; Y43-I278 HydrophobicContact CG-CD1 4.47Å; Y43-I278 HydrophobicContact CG-CG1 4.46Å; E274-I278 HydrophobicContact CG-CD1 3.75Å; E274-I278 HydrophobicContact CG-CG1 4.49Å; E274-I278 WeakPolarHBondContact O-CB 3.47Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.25Å; E274-I278 PolarHBondContact O-N 2.99Å; Y275-I278 PolarHBondContact O-N 3.42Å; I278-M280 PolarHBondContact O-N 3.07Å; I278-G281 PolarHBondContact O-N 2.93Å
279A90.8Very high91.4Very high78 Ų7865.3 Ų65.365%0.64534%0.344SS*.Hα-helixtrans-63.9-26.3177.500000113.1Y275 S276 S277 G281Y275-A279 WeakPolarHBondContact O-CB 3.36Å; Y275-A279 PolarHBondContact O-N 3.45Å; S276-A279 PolarHBondContact O-N 3.49Å; S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.27Å; A279-G281 VanDerWaalsContact C-N 3.35Å
280M91.1Very high91.3Very high138 Ų13861.7 Ų61.768%0.6833%0.327SS*.THydrogen-bonded Turntrans-85.6-5.7173.5-66.2-176.1-67.400113.3S276 S277 I278 E282S276-M280 WeakPolarHBondContact O-CG 3.3Å; S276-M280 PolarHBondContact O-N 3.22Å; S277-M280 PolarHBondContact O-N 3.46Å; S277-M280 VanDerWaalsContact O-N 3.15Å; I278-M280 PolarHBondContact O-N 3.07Å; M280-E282 VanDerWaalsContact C-N 3.31Å
281G86.9Confident91.3Very high53 Ų5361.5 Ų61.555%0.54633%0.326SS..THydrogen-bonded Turntrans79.98-178.100000114.6S277 I278 A279 P283S277-G281 PolarHBondContact O-N 2.94Å; I278-G281 PolarHBondContact O-N 2.93Å; A279-G281 VanDerWaalsContact C-N 3.35Å; G281-P283 WeakPolarHBondContact O-CD 3.43Å
282E88.9Confident91.3Very high146 Ų14658.7 Ų58.768%0.68231%0.311SS*.  trans-11591.5-178.6-67.9-173.2171.800109.7S277 M280S277-E282 CarbonylContact C-O 3.5Å; S277-E282 VanDerWaalsContact CB-O 3.32Å; S277-E282 WeakPolarHBondContact CB-O 3.15Å; S277-E282 PolarHBondContact O-N 3.44Å; S277-E282 VanDerWaalsContact O-N 3.15Å; M280-E282 VanDerWaalsContact C-N 3.31Å
283P86.5Confident91.3Very high50 Ų5058.5 Ų58.533%0.32531%0.307SS..  trans-64.9140.1178.127-33.2000111Y43 G281Y43-P283 HydrophobicContact CD1-CB 3.78Å; Y43-P283 HydrophobicContact CD1-CG 4.05Å; Y43-P283 HydrophobicContact CE1-CB 4.5Å; Y43-P283 HydrophobicContact CG-CB 4.41Å; G281-P283 WeakPolarHBondContact O-CD 3.43Å
284L92.4Very high91.4Very high37 Ų3754.7 Ų54.719%0.19429%0.289CS..  trans-67.5139.4-179.4-64.9163.1000110.5E273 S277 R286 V287 S288E273-L284 HydrophobicContact CG-CD1 3.86Å; S277-L284 WeakPolarHBondContact OG-CD1 3.44Å; S277-L284 WeakPolarHBondContact OG-CD2 3.29Å; S277-L284 WeakPolarHBondContact OG-CG 3.32Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 HydrophobicContact CB-CG 4.29Å; L284-R286 VanDerWaalsContact CD1-CZ 3.44Å; L284-R286 VanDerWaalsContact CD1-NH2 3.29Å; L284-R286 PolarHBondContact O-N 3.44Å; L284-V287 HydrophobicContact CB-CG2 4.06Å; L284-V287 WeakPolarHBondContact O-CA 3.39Å; L284-V287 WeakPolarHBondContact O-CB 3.38Å; L284-V287 PolarHBondContact O-N 2.92Å; L284-S288 PolarHBondContact O-N 3.47Å; L284-S288 VanDerWaalsContact O-N 3.11Å; L284-S288 PolarHBondContact O-OG 3.48Å
285Y92.1Very high91.6Very high144 Ų14453.1 Ų53.157%0.56528%0.282SS*.Hα-helixtrans-48.2-48.6178.3175-100.2000112.3V287 S288 T289Y285-V287 PolarHBondContact O-N 3.32Å; Y285-V287 VanDerWaalsContact O-N 3.15Å; Y285-S288 PolarHBondContact O-N 3.08Å; Y285-S288 VanDerWaalsContact O-N 3.15Å; Y285-T289 HydrophobicContact CD2-CG2 4.07Å; Y285-T289 HydrophobicContact CE1-CG2 4.1Å; Y285-T289 HydrophobicContact CE2-CG2 3.61Å; Y285-T289 HydrophobicContact CG-CG2 4.5Å; Y285-T289 WeakPolarHBondContact O-CG2 3.3Å; Y285-T289 PolarHBondContact O-N 3.2Å; Y285-T289 PolarHBondContact O-OG1 3.48Å
286R93.7Very high91.7Very high37 Ų3745.3 Ų45.314%0.1425%0.252CS..Hα-helixtrans-55.4-35.4178.674.3172.1-177.3-964.7112.8M270 E273 L284 T289 N291M270-R286 PolarHBondContact O-NH2 3.41Å; E273-R286 IonicContact OE1-NH1 2.8Å; E273-R286 PolarHBondContact OE1-NH1 3.5Å; E273-R286 VanDerWaalsContact OE1-NH1 3.1Å; E273-R286 IonicContact OE2-CZ 2.78Å; E273-R286 IonicContact OE2-NH1 3.2Å; E273-R286 PolarHBondContact OE2-NH1 2.95Å; E273-R286 IonicContact OE2-NH2 2.66Å; E273-R286 PolarHBondContact OE2-NH2 3.03Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 HydrophobicContact CB-CG 4.29Å; L284-R286 VanDerWaalsContact CD1-CZ 3.44Å; L284-R286 VanDerWaalsContact CD1-NH2 3.29Å; L284-R286 PolarHBondContact O-N 3.44Å; R286-T289 PolarHBondContact O-OG1 2.94Å; R286-N291 WeakPolarHBondContact O-CA 3.48Å; R286-N291 PolarHBondContact O-N 2.72Å
287V93.1Very high91.9Very high3 Ų342.8 Ų42.82%0.01823%0.234CC..Hα-helixtrans-75.4-45.2-177.41790000108.9Y43 C44 E274 L284 Y285 T289 G290Y43-V287 CarbonylContact O-C 3.48Å; C44-V287 WeakPolarHBondContact CA-O 3.34Å; C44-V287 HydrophobicContact CB-CG1 3.93Å; C44-V287 PolarHBondContact SG-O 2.89Å; C44-V287 VanDerWaalsContact SG-O 3.42Å; E274-V287 HydrophobicContact CG-CG2 4.14Å; L284-V287 HydrophobicContact CB-CG2 4.06Å; L284-V287 WeakPolarHBondContact O-CA 3.39Å; L284-V287 WeakPolarHBondContact O-CB 3.38Å; L284-V287 PolarHBondContact O-N 2.92Å; Y285-V287 PolarHBondContact O-N 3.32Å; Y285-V287 VanDerWaalsContact O-N 3.15Å; V287-T289 PolarHBondContact O-N 3.06Å; V287-G290 PolarHBondContact O-N 3.38Å
288S91.4Very high92.1Very high26 Ų2642.2 Ų42.218%0.18223%0.23CC..Hα-helixtrans-63.4-20.7176.8-56.20000113.8Y43 P45 L284 Y285Y43-S288 WeakPolarHBondContact O-CA 3.21Å; Y43-S288 PolarHBondContact O-N 3.21Å; P45-S288 VanDerWaalsContact CD-O 3.29Å; P45-S288 WeakPolarHBondContact CD-O 3.47Å; L284-S288 PolarHBondContact O-N 3.47Å; L284-S288 VanDerWaalsContact O-N 3.11Å; L284-S288 PolarHBondContact O-OG 3.48Å; Y285-S288 PolarHBondContact O-N 3.08Å; Y285-S288 VanDerWaalsContact O-N 3.15Å
289T91.8Very high92.4Very high2 Ų240.7 Ų40.71%0.01222%0.221CC..THydrogen-bonded Turntrans-106.619.4178.960.40000114.4L9 E11 D12 Y285 R286 V287L9-T289 HydrophobicContact CB-CG2 4.03Å; L9-T289 HydrophobicContact CD1-CG2 4.48Å; E11-T289 WeakPolarHBondContact CA-O 3.42Å; D12-T289 HydrophobicContact CB-CG2 4.48Å; D12-T289 PolarHBondContact N-O 2.97Å; Y285-T289 HydrophobicContact CD2-CG2 4.07Å; Y285-T289 HydrophobicContact CE1-CG2 4.1Å; Y285-T289 HydrophobicContact CE2-CG2 3.61Å; Y285-T289 HydrophobicContact CG-CG2 4.5Å; Y285-T289 WeakPolarHBondContact O-CG2 3.3Å; Y285-T289 PolarHBondContact O-N 3.2Å; Y285-T289 PolarHBondContact O-OG1 3.48Å; R286-T289 PolarHBondContact O-OG1 2.94Å; V287-T289 PolarHBondContact O-N 3.06Å
290G90.9Very high92.6Very high0 Ų037.1 Ų37.10%019%0.191CC..THydrogen-bonded Turntrans98.33170.500000115.9V287 Y292 R295V287-G290 PolarHBondContact O-N 3.38Å; G290-Y292 PolarHBondContact O-N 2.91Å; G290-R295 WeakPolarHBondContact O-CD 3.44Å
291N94.3Very high92.8Very high0 Ų032.7 Ų32.70%017%0.167CC..  trans56.639.6168.6-149.47000115.1Y48 R286 E293 Y294 R295Y48-N291 HydrophobicContact CE1-CB 4.08Å; Y48-N291 PolarHBondContact OH-ND2 3.47Å; R286-N291 WeakPolarHBondContact O-CA 3.48Å; R286-N291 PolarHBondContact O-N 2.72Å; N291-E293 VanDerWaalsContact C-N 3.33Å; N291-E293 PolarHBondContact O-N 3.27Å; N291-Y294 WeakPolarHBondContact ND2-CB 3.33Å; N291-Y294 PolarHBondContact O-N 2.95Å; N291-Y294 WeakPolarHBondContact OD1-CB 3.13Å; N291-R295 VanDerWaalsContact O-CG 3.26Å; N291-R295 WeakPolarHBondContact O-CG 3.44Å; N291-R295 PolarHBondContact O-N 3.35Å
292Y93.3Very high93.1Very high4 Ų432.9 Ų32.92%0.01615%0.154CC..Hα-helixtrans-62.3-34.5-175.2-81.5-99.9000113.6E11 D12 K13 T18 L104 G290 R295 L296E11-Y292 HydrophobicContact CB-CE2 4.35Å; E11-Y292 PolarHBondContact OE2-OH 3.34Å; D12-Y292 WeakPolarHBondContact O-CD2 3.46Å; K13-Y292 HydrophobicContact CB-CD1 4.34Å; K13-Y292 HydrophobicContact CB-CE1 4.07Å; K13-Y292 HydrophobicContact CB-CE2 4.41Å; K13-Y292 HydrophobicContact CG-CE1 4.13Å; K13-Y292 HydrophobicContact CG-CE2 3.96Å; T18-Y292 HydrophobicContact CG2-CE1 4.21Å; L104-Y292 HydrophobicContact CD1-CD1 3.85Å; L104-Y292 HydrophobicContact CD1-CE1 4Å; G290-Y292 PolarHBondContact O-N 2.91Å; Y292-R295 PolarHBondContact O-N 3.16Å; Y292-L296 WeakPolarHBondContact O-CB 3.19Å; Y292-L296 PolarHBondContact O-N 2.96Å
293E92.7Very high93.3Very high86 Ų8629 Ų2940%0.40214%0.135SC..Hα-helixtrans-61.3-48.9174.5-172.6-173.9-175.200111.2L14 M270 N291 R295 L296 V297L14-E293 HydrophobicContact CD1-CB 3.95Å; M270-E293 HydrophobicContact CE-CB 4.46Å; M270-E293 HydrophobicContact CE-CG 4.21Å; N291-E293 VanDerWaalsContact C-N 3.33Å; N291-E293 PolarHBondContact O-N 3.27Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.4Å; E293-L296 WeakPolarHBondContact O-CB 3.32Å; E293-L296 PolarHBondContact O-N 3.25Å; E293-V297 WeakPolarHBondContact O-CG2 3.34Å; E293-V297 PolarHBondContact O-N 3.36Å
294Y94.9Very high93.7Very high7 Ų726.6 Ų26.63%0.02712%0.12CC..Hα-helixtrans-61.6-42.5177.5-177.8-98.5000111.3Y48 V267 M270 D271 N291 L296 V297 L298Y48-Y294 AromaticContact CE2-CD1 3.77Å; Y48-Y294 HydrophobicContact CE2-CD1 3.77Å; Y48-Y294 AromaticContact CE2-CE1 3.82Å; Y48-Y294 HydrophobicContact CE2-CE1 3.82Å; V267-Y294 HydrophobicContact CG1-CE2 3.9Å; M270-Y294 HydrophobicContact CB-CD2 3.75Å; M270-Y294 HydrophobicContact CB-CE2 4.03Å; M270-Y294 HydrophobicContact CE-CD2 4.02Å; M270-Y294 HydrophobicContact CE-CG 4.42Å; M270-Y294 HydrophobicContact CG-CD2 4.46Å; M270-Y294 HydrophobicContact SD-CD2 3.92Å; D271-Y294 WeakPolarHBondContact OD1-CE2 3.37Å; D271-Y294 PolarHBondContact OD1-OH 3.42Å; N291-Y294 WeakPolarHBondContact ND2-CB 3.33Å; N291-Y294 PolarHBondContact O-N 2.95Å; N291-Y294 WeakPolarHBondContact OD1-CB 3.13Å; Y294-L296 VanDerWaalsContact C-N 3.33Å; Y294-L296 PolarHBondContact O-N 3.47Å; Y294-V297 PolarHBondContact O-N 3.35Å; Y294-V297 VanDerWaalsContact O-N 3.15Å; Y294-L298 HydrophobicContact CD1-CD1 3.63Å; Y294-L298 HydrophobicContact CD1-CG 3.93Å; Y294-L298 HydrophobicContact CE1-CD1 3.35Å; Y294-L298 HydrophobicContact CE1-CD2 3.95Å; Y294-L298 HydrophobicContact CE1-CG 3.68Å; Y294-L298 WeakPolarHBondContact O-CG 3.44Å; Y294-L298 PolarHBondContact O-N 2.87Å
295R95.3Very high93.7Very high0 Ų028 Ų280%012%0.123CC..Hα-helixtrans-61.7-38.9176.9-67.3165.961.8-174.1-0.4112.3Y48 G67 L104 G290 N291 Y292 E293 L298 R299Y48-R295 HydrophobicContact CD1-CG 3.96Å; Y48-R295 HydrophobicContact CD2-CG 3.89Å; Y48-R295 HydrophobicContact CE1-CG 4.32Å; Y48-R295 HydrophobicContact CE2-CG 4.27Å; Y48-R295 HydrophobicContact CG-CG 3.72Å; G67-R295 PolarHBondContact O-NE 3.42Å; G67-R295 PolarHBondContact O-NH2 3.23Å; G67-R295 VanDerWaalsContact O-NH2 3.13Å; L104-R295 HydrophobicContact CD2-CB 3.92Å; G290-R295 WeakPolarHBondContact O-CD 3.44Å; N291-R295 VanDerWaalsContact O-CG 3.26Å; N291-R295 WeakPolarHBondContact O-CG 3.44Å; N291-R295 PolarHBondContact O-N 3.35Å; Y292-R295 PolarHBondContact O-N 3.16Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.4Å; R295-L298 WeakPolarHBondContact O-CB 3.46Å; R295-L298 PolarHBondContact O-N 2.99Å; R295-R299 PolarHBondContact O-N 2.85Å
296L94.2Very high93.8Very high15 Ų1524.6 Ų24.68%0.07912%0.12CC..Hα-helixtrans-62.6-45.6172.1171.663000111.4I16 A106 Q110 Y292 E293 Y294 L298 R299 C300I16-L296 HydrophobicContact CD1-CB 4.12Å; I16-L296 HydrophobicContact CD1-CD2 4.22Å; A106-L296 HydrophobicContact CB-CD1 3.43Å; A106-L296 VanDerWaalsContact CB-CD1 3.43Å; Q110-L296 HydrophobicContact CB-CD1 4.42Å; Q110-L296 HydrophobicContact CB-CD2 3.84Å; Y292-L296 WeakPolarHBondContact O-CB 3.19Å; Y292-L296 PolarHBondContact O-N 2.96Å; E293-L296 WeakPolarHBondContact O-CB 3.32Å; E293-L296 PolarHBondContact O-N 3.25Å; Y294-L296 VanDerWaalsContact C-N 3.33Å; Y294-L296 PolarHBondContact O-N 3.47Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 2.94Å; L296-R299 WeakPolarHBondContact O-CB 3.45Å; L296-R299 PolarHBondContact O-N 3.34Å; L296-C300 PolarHBondContact O-N 2.93Å; L296-C300 PolarHBondContact O-SG 3.39Å
297V95.1Very high93.8Very high11 Ų1127.6 Ų27.67%0.06713%0.132CC..Hα-helixtrans-62.4-40.1177176.50000111Y263 K266 V267 M270 E293 Y294 C300 R301Y263-V297 HydrophobicContact CD1-CG1 4.22Å; K266-V297 HydrophobicContact CB-CG1 4.29Å; K266-V297 HydrophobicContact CG-CG1 3.96Å; K266-V297 HydrophobicContact CG-CG2 4.38Å; V267-V297 HydrophobicContact CG2-CG1 3.6Å; M270-V297 HydrophobicContact SD-CG2 4.22Å; E293-V297 WeakPolarHBondContact O-CG2 3.34Å; E293-V297 PolarHBondContact O-N 3.36Å; Y294-V297 PolarHBondContact O-N 3.35Å; Y294-V297 VanDerWaalsContact O-N 3.15Å; V297-C300 PolarHBondContact O-N 3.12Å; V297-R301 WeakPolarHBondContact O-CB 3.42Å; V297-R301 PolarHBondContact O-N 3.49Å
298L95.7Very high93.8Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-60.4-43.8174.8-72.6177.6000112.5Y48 V50 A66 V267 Y294 R295 L296 R301 Q302Y48-L298 HydrophobicContact CD2-CD1 4.17Å; Y48-L298 HydrophobicContact CE2-CD1 4.16Å; V50-L298 HydrophobicContact CB-CD1 4.44Å; V50-L298 HydrophobicContact CG1-CD2 4.17Å; V50-L298 HydrophobicContact CG2-CD1 4.31Å; A66-L298 HydrophobicContact CB-CB 4.08Å; V267-L298 HydrophobicContact CG1-CD2 4.2Å; V267-L298 HydrophobicContact CG2-CD2 4.09Å; Y294-L298 HydrophobicContact CD1-CD1 3.63Å; Y294-L298 HydrophobicContact CD1-CG 3.93Å; Y294-L298 HydrophobicContact CE1-CD1 3.35Å; Y294-L298 HydrophobicContact CE1-CD2 3.95Å; Y294-L298 HydrophobicContact CE1-CG 3.68Å; Y294-L298 WeakPolarHBondContact O-CG 3.44Å; Y294-L298 PolarHBondContact O-N 2.87Å; R295-L298 WeakPolarHBondContact O-CB 3.46Å; R295-L298 PolarHBondContact O-N 2.99Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 2.94Å; L298-R301 PolarHBondContact O-N 3.13Å; L298-Q302 PolarHBondContact O-N 3.35Å
299R94.8Very high93.7Very high17 Ų1729.6 Ų29.66%0.06415%0.147CC..Hα-helixtrans-58.7-51.2173.7172.57376-123.5-2.2110.6A65 A66 D68 L104 A106 R295 L296 R301 Q302 E303A65-R299 VanDerWaalsContact C-NH1 3.26Å; A66-R299 VanDerWaalsContact O-CZ 3.29Å; A66-R299 PolarHBondContact O-NH1 3.12Å; D68-R299 IonicContact OD1-CZ 3.76Å; D68-R299 IonicContact OD1-NH2 2.66Å; D68-R299 PolarHBondContact OD1-NH2 3.25Å; D68-R299 IonicContact OD2-NH2 3.96Å; L104-R299 PolarHBondContact O-NH2 2.82Å; A106-R299 HydrophobicContact CB-CB 4.29Å; A106-R299 HydrophobicContact CB-CG 3.96Å; R295-R299 PolarHBondContact O-N 2.85Å; L296-R299 WeakPolarHBondContact O-CB 3.45Å; L296-R299 PolarHBondContact O-N 3.34Å; R299-R301 VanDerWaalsContact C-N 3.29Å; R299-R301 PolarHBondContact O-N 3.35Å; R299-Q302 PolarHBondContact O-N 2.9Å; R299-Q302 VanDerWaalsContact O-N 3.11Å; R299-E303 PolarHBondContact O-N 2.87Å
300C95.2Very high93.8Very high3 Ų336.2 Ų36.22%0.0218%0.176CC..Hα-helixtrans-60.8-39.4-179.2-63.80000111.8Y263 L296 V297 E303 A304Y263-C300 HydrophobicContact CD1-CB 3.92Å; Y263-C300 HydrophobicContact CD2-CB 4.5Å; Y263-C300 HydrophobicContact CE1-CB 3.47Å; Y263-C300 VanDerWaalsContact CE1-CB 3.47Å; Y263-C300 HydrophobicContact CE2-CB 4.09Å; Y263-C300 HydrophobicContact CG-CB 4.43Å; L296-C300 PolarHBondContact O-N 2.93Å; L296-C300 PolarHBondContact O-SG 3.39Å; V297-C300 PolarHBondContact O-N 3.12Å; C300-E303 PolarHBondContact O-N 3.4Å; C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.39Å; C300-A304 PolarHBondContact O-N 2.99Å
301R94.9Very high93.8Very high45 Ų4538.4 Ų38.417%0.1719%0.187CC..Hα-helixtrans-60-46173.5-173-176.466.2171.81.3111.8V50 Y260 V297 L298 R299 A304 R305V50-R301 PolarHBondContact O-NH2 3.17Å; Y260-R301 HydrophobicContact CD2-CG 4.37Å; Y260-R301 HydrophobicContact CE2-CG 4Å; V297-R301 WeakPolarHBondContact O-CB 3.42Å; V297-R301 PolarHBondContact O-N 3.49Å; L298-R301 PolarHBondContact O-N 3.13Å; R299-R301 VanDerWaalsContact C-N 3.29Å; R299-R301 PolarHBondContact O-N 3.35Å; R301-A304 PolarHBondContact O-N 3.04Å; R301-R305 VanDerWaalsContact O-CB 3.32Å; R301-R305 WeakPolarHBondContact O-CB 3.29Å; R301-R305 PolarHBondContact O-N 3.38Å
302Q94.5Very high93.7Very high57 Ų5743.6 Ų43.627%0.26621%0.206SC..Hα-helixtrans-62-44178.9176.9177.1-34.500111.8A66 L298 R299 R305 S306A66-Q302 HydrophobicContact CB-CB 4.31Å; A66-Q302 VanDerWaalsContact CB-OE1 3.22Å; L298-Q302 PolarHBondContact O-N 3.35Å; R299-Q302 PolarHBondContact O-N 2.9Å; R299-Q302 VanDerWaalsContact O-N 3.11Å; Q302-R305 WeakPolarHBondContact O-CB 3.36Å; Q302-R305 PolarHBondContact O-N 2.92Å; Q302-S306 PolarHBondContact O-N 3Å; Q302-S306 PolarHBondContact O-OG 2.98Å
303E93.6Very high93.5Very high64 Ų6449.4 Ų49.430%0.29923%0.232SC..Hα-helixtrans-66.7-43.4177.4-69.9-179.4-169.400112.1P108 R299 C300 R305 S306 R307P108-E303 WeakPolarHBondContact CG-OE2 3.47Å; R299-E303 PolarHBondContact O-N 2.87Å; C300-E303 PolarHBondContact O-N 3.4Å; E303-R305 VanDerWaalsContact C-N 3.32Å; E303-R305 PolarHBondContact O-N 3.28Å; E303-S306 PolarHBondContact O-N 3.45Å; E303-R307 PolarHBondContact O-N 3.32Å
304A93.9Very high93.5Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-61.9-40.4175.400000111.5Y260 Y263 C300 R301 S306 R307 F308Y260-A304 HydrophobicContact CD2-CB 4.29Å; Y263-A304 HydrophobicContact CD2-CB 3.8Å; Y263-A304 HydrophobicContact CE2-CB 4.22Å; C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.39Å; C300-A304 PolarHBondContact O-N 2.99Å; R301-A304 PolarHBondContact O-N 3.04Å; A304-S306 VanDerWaalsContact C-N 3.34Å; A304-S306 PolarHBondContact O-N 3.12Å; A304-R307 PolarHBondContact O-N 3.46Å; A304-F308 WeakPolarHBondContact O-CB 3.46Å; A304-F308 PolarHBondContact O-N 2.94Å
305R93Very high93.3Very high67 Ų6747.9 Ų47.925%0.25323%0.227SC..Hα-helixtrans-58.9-44.1173.9-173.2179.6173.7-138.2-7.8111.8D54 Y260 R301 Q302 E303 F308 A309D54-R305 IonicContact OD1-CZ 3.87Å; D54-R305 VanDerWaalsContact OD1-CZ 3.22Å; D54-R305 IonicContact OD1-NH1 3.78Å; D54-R305 PolarHBondContact OD1-NH1 3.05Å; D54-R305 IonicContact OD1-NH2 3.82Å; D54-R305 PolarHBondContact OD1-NH2 2.97Å; D54-R305 IonicContact OD2-CZ 3.13Å; D54-R305 IonicContact OD2-NH1 2.9Å; D54-R305 IonicContact OD2-NH2 2.73Å; D54-R305 PolarHBondContact OD2-NH2 3.38Å; Y260-R305 HydrophobicContact CD2-CB 3.82Å; Y260-R305 HydrophobicContact CE2-CB 3.46Å; Y260-R305 VanDerWaalsContact CE2-CB 3.46Å; Y260-R305 HydrophobicContact CE2-CG 3.84Å; R301-R305 VanDerWaalsContact O-CB 3.32Å; R301-R305 WeakPolarHBondContact O-CB 3.29Å; R301-R305 PolarHBondContact O-N 3.38Å; Q302-R305 WeakPolarHBondContact O-CB 3.36Å; Q302-R305 PolarHBondContact O-N 2.92Å; E303-R305 VanDerWaalsContact C-N 3.32Å; E303-R305 PolarHBondContact O-N 3.28Å; R305-F308 WeakPolarHBondContact O-CB 3.5Å; R305-F308 PolarHBondContact O-N 3.44Å; R305-A309 WeakPolarHBondContact O-CB 3.27Å; R305-A309 PolarHBondContact O-N 3.5Å
306S93Very high93Very high73 Ų7352.1 Ų52.151%0.5125%0.249SC..Hα-helixtrans-65.9-45.4-179.6-56.10000111.3Q302 E303 A304 F308 A309 K310Q302-S306 PolarHBondContact O-N 3Å; Q302-S306 PolarHBondContact O-OG 2.98Å; E303-S306 PolarHBondContact O-N 3.45Å; A304-S306 VanDerWaalsContact C-N 3.34Å; A304-S306 PolarHBondContact O-N 3.12Å; S306-F308 VanDerWaalsContact C-N 3.34Å; S306-F308 PolarHBondContact O-N 3.15Å; S306-A309 PolarHBondContact O-N 3.47Å; S306-K310 WeakPolarHBondContact O-CB 3.43Å; S306-K310 PolarHBondContact O-N 2.91Å
307R93.9Very high92.8Very high100 Ų10055.8 Ų55.838%0.37727%0.266SS..Hα-helixtrans-60.7-43173.3-72.2-174-75.7150.3-1.9111.8V256 E259 E303 A304 M311V256-R307 HydrophobicContact CG1-CB 3.85Å; E259-R307 VanDerWaalsContact CD-NH2 3.33Å; E259-R307 IonicContact OE1-CZ 3.1Å; E259-R307 IonicContact OE1-NH1 3.53Å; E259-R307 PolarHBondContact OE1-NH1 3Å; E259-R307 IonicContact OE1-NH2 3.34Å; E259-R307 PolarHBondContact OE1-NH2 2.95Å; E259-R307 IonicContact OE2-CZ 2.82Å; E259-R307 IonicContact OE2-NH1 3.58Å; E259-R307 PolarHBondContact OE2-NH1 3.28Å; E259-R307 IonicContact OE2-NH2 2.98Å; E303-R307 PolarHBondContact O-N 3.32Å; A304-R307 PolarHBondContact O-N 3.46Å; R307-M311 WeakPolarHBondContact O-CB 3.37Å; R307-M311 PolarHBondContact O-N 3.03Å
308F92.6Very high92.6Very high13 Ų1357.6 Ų57.66%0.05727%0.273CS..Hα-helixtrans-61.4-50.4177.5166.9-108.7000111.9L144 Y253 V256 K257 Y260 A304 R305 S306 K310 M311 R312L144-F308 HydrophobicContact CD2-CE1 3.68Å; L144-F308 HydrophobicContact CD2-CE2 4.42Å; L144-F308 HydrophobicContact CD2-CZ 3.46Å; L144-F308 VanDerWaalsContact CD2-CZ 3.46Å; Y253-F308 AromaticContact CE2-CD2 3.79Å; Y253-F308 HydrophobicContact CE2-CD2 3.79Å; Y253-F308 AromaticContact CE2-CE2 3.49Å; Y253-F308 HydrophobicContact CE2-CE2 3.49Å; Y253-F308 VanDerWaalsContact CE2-CE2 3.49Å; Y253-F308 HydrophobicContact CE2-CZ 4.43Å; Y253-F308 AromaticContact CZ-CE2 3.64Å; Y253-F308 WeakPolarHBondContact OH-CE2 3.46Å; V256-F308 HydrophobicContact CG1-CB 3.99Å; K257-F308 HydrophobicContact CB-CD2 3.89Å; K257-F308 HydrophobicContact CB-CE2 3.78Å; K257-F308 HydrophobicContact CG-CD2 4.35Å; K257-F308 HydrophobicContact CG-CE2 3.82Å; Y260-F308 HydrophobicContact CD1-CB 4.4Å; Y260-F308 AromaticContact CD1-CD1 3.83Å; Y260-F308 HydrophobicContact CD1-CD1 3.83Å; Y260-F308 HydrophobicContact CD1-CE1 4.31Å; Y260-F308 HydrophobicContact CD1-CG 4.07Å; Y260-F308 HydrophobicContact CE1-CD1 4.12Å; Y260-F308 HydrophobicContact CE1-CE1 4.39Å; Y260-F308 HydrophobicContact CG-CB 4.38Å; A304-F308 WeakPolarHBondContact O-CB 3.46Å; A304-F308 PolarHBondContact O-N 2.94Å; R305-F308 WeakPolarHBondContact O-CB 3.5Å; R305-F308 PolarHBondContact O-N 3.44Å; S306-F308 VanDerWaalsContact C-N 3.34Å; S306-F308 PolarHBondContact O-N 3.15Å; F308-K310 VanDerWaalsContact C-N 3.34Å; F308-K310 PolarHBondContact O-N 2.7Å; F308-M311 PolarHBondContact O-N 2.85Å; F308-R312 WeakPolarHBondContact O-CB 3.44Å; F308-R312 PolarHBondContact O-N 3.22Å
309A90.9Very high92.2Very high57 Ų5758.5 Ų58.547%0.47128%0.277SS..Hα-helixtrans-61-43.218000000111.9R305 S306 R312 K313R305-A309 WeakPolarHBondContact O-CB 3.27Å; R305-A309 PolarHBondContact O-N 3.5Å; S306-A309 PolarHBondContact O-N 3.47Å; A309-R312 PolarHBondContact O-N 3.45Å; A309-K313 PolarHBondContact O-N 3.07Å
310K92.6Very high91.9Very high141 Ų14163.2 Ų63.261%0.61330%0.3SS*.Hα-helixtrans-61-53.9175.1-176.8179.7177.5179.70111.5S306 F308 R312 K313 D314S306-K310 WeakPolarHBondContact O-CB 3.43Å; S306-K310 PolarHBondContact O-N 2.91Å; F308-K310 VanDerWaalsContact C-N 3.34Å; F308-K310 PolarHBondContact O-N 2.7Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.9Å; K310-K313 WeakPolarHBondContact O-CB 3.22Å; K310-K313 PolarHBondContact O-N 3.14Å; K310-K313 VanDerWaalsContact O-N 3.08Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.19Å
311M92.4Very high91.6Very high47 Ų4768.4 Ų68.423%0.23233%0.327CS..Hα-helixtrans-63-33.8-178-169.264.866.400112.1Y253 R307 F308 D314 V315Y253-M311 HydrophobicContact CD2-CB 4.19Å; Y253-M311 HydrophobicContact CD2-CG 3.96Å; Y253-M311 HydrophobicContact CG-CG 4.37Å; R307-M311 WeakPolarHBondContact O-CB 3.37Å; R307-M311 PolarHBondContact O-N 3.03Å; F308-M311 PolarHBondContact O-N 2.85Å; M311-D314 PolarHBondContact O-N 3.37Å; M311-V315 HydrophobicContact CG-CG2 4.36Å; M311-V315 WeakPolarHBondContact O-CB 3.39Å; M311-V315 WeakPolarHBondContact O-CG2 3.43Å; M311-V315 PolarHBondContact O-N 2.94Å
312R90.3Very high91.3Very high109 Ų10967 Ų6741%0.41132%0.323SS..Hα-helixtrans-59.7-46.1173.7-168.1177.6-178.1-168.3-0111.5L149 Y253 F308 A309 K310 L316L149-R312 HydrophobicContact CD1-CG 4.36Å; Y253-R312 HydrophobicContact CD2-CB 4.35Å; Y253-R312 HydrophobicContact CE2-CB 3.64Å; Y253-R312 HydrophobicContact CE2-CG 3.96Å; F308-R312 WeakPolarHBondContact O-CB 3.44Å; F308-R312 PolarHBondContact O-N 3.22Å; A309-R312 PolarHBondContact O-N 3.45Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.9Å; R312-L316 HydrophobicContact CG-CD1 4.29Å; R312-L316 VanDerWaalsContact O-CG 3.31Å; R312-L316 WeakPolarHBondContact O-CG 3.49Å; R312-L316 PolarHBondContact O-N 3.31Å; R312-L316 VanDerWaalsContact O-N 3.13Å
313K90.8Very high90.8Very high125 Ų12567.2 Ų67.254%0.54333%0.326SS..Hα-helixtrans-61.8-49.8176.5-176.3-178.5170.5179.80110.8A309 K310 V315 L316 E317A309-K313 PolarHBondContact O-N 3.07Å; K310-K313 WeakPolarHBondContact O-CB 3.22Å; K310-K313 PolarHBondContact O-N 3.14Å; K310-K313 VanDerWaalsContact O-N 3.08Å; K313-V315 VanDerWaalsContact C-N 3.29Å; K313-V315 PolarHBondContact O-N 3.2Å; K313-L316 PolarHBondContact O-N 2.9Å; K313-L316 VanDerWaalsContact O-N 3.17Å; K313-E317 WeakPolarHBondContact CE-OE1 3.43Å; K313-E317 IonicContact NZ-OE1 3.51Å; K313-E317 PolarHBondContact O-N 3.31Å
314D91.3Very high90.5Very high61 Ų6169.1 Ų69.133%0.32634%0.335SS..Hα-helixtrans-58.5-39.8-179.4-61.8-11.1000112.1K310 M311 K318K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.19Å; M311-D314 PolarHBondContact O-N 3.37Å; D314-K318 VanDerWaalsContact O-CB 3.27Å; D314-K318 WeakPolarHBondContact O-CB 3.48Å; D314-K318 PolarHBondContact O-N 3.08Å
315V91.1Very high89.9Confident1 Ų175.2 Ų75.21%0.00636%0.361CS..Hα-helixtrans-67.8-44.5177.4174.20000111.6L149 T249 I250 Y253 M311 K313 K318 I319L149-V315 HydrophobicContact CD1-CB 4.5Å; L149-V315 HydrophobicContact CD1-CG1 4.05Å; L149-V315 HydrophobicContact CD2-CG1 3.79Å; T249-V315 HydrophobicContact CG2-CG2 3.74Å; I250-V315 HydrophobicContact CG1-CG1 3.81Å; Y253-V315 VanDerWaalsContact CB-CG2 3.48Å; Y253-V315 HydrophobicContact CD2-CG2 4.24Å; Y253-V315 HydrophobicContact CG-CG2 3.88Å; M311-V315 HydrophobicContact CG-CG2 4.36Å; M311-V315 WeakPolarHBondContact O-CB 3.39Å; M311-V315 WeakPolarHBondContact O-CG2 3.43Å; M311-V315 PolarHBondContact O-N 2.94Å; K313-V315 VanDerWaalsContact C-N 3.29Å; K313-V315 PolarHBondContact O-N 3.2Å; V315-K318 PolarHBondContact O-N 3.19Å; V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.32Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.41Å
316L88.6Confident89.4Confident89 Ų8973.4 Ų73.447%0.46636%0.355SS..Hα-helixtrans-61.7-47.6-179.6-74.4168.7000110.9L149 R312 K313 K318 I319 E320L149-L316 HydrophobicContact CD2-CD2 3.8Å; L149-L316 HydrophobicContact CD2-CG 4.42Å; R312-L316 HydrophobicContact CG-CD1 4.29Å; R312-L316 VanDerWaalsContact O-CG 3.31Å; R312-L316 WeakPolarHBondContact O-CG 3.49Å; R312-L316 PolarHBondContact O-N 3.31Å; R312-L316 VanDerWaalsContact O-N 3.13Å; K313-L316 PolarHBondContact O-N 2.9Å; K313-L316 VanDerWaalsContact O-N 3.17Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.49Å; L316-I319 PolarHBondContact O-N 3.31Å; L316-E320 PolarHBondContact O-N 3.45Å
317E90.8Very high89Confident91 Ų9174 Ų7443%0.42536%0.356SS..Hα-helixtrans-60.4-42.4175.7-69.8176.6-179.700111.3K313 E320 L321K313-E317 WeakPolarHBondContact CE-OE1 3.43Å; K313-E317 IonicContact NZ-OE1 3.51Å; K313-E317 PolarHBondContact O-N 3.31Å; E317-E320 PolarHBondContact O-N 2.88Å; E317-L321 WeakPolarHBondContact O-CB 3.49Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.38Å; E317-L321 PolarHBondContact O-N 2.92Å
318K90.2Very high88.5Confident50 Ų5076.1 Ų76.122%0.21737%0.37CS..Hα-helixtrans-66.6-38.8179.7-170.4171.2-174.81720113.3D245 T249 D314 V315 L316 L322D245-K318 PolarHBondContact O-NZ 3.31Å; D245-K318 IonicContact OD1-NZ 3.68Å; D245-K318 PolarHBondContact OD1-NZ 3.39Å; D245-K318 VanDerWaalsContact OD1-NZ 3.13Å; D245-K318 WeakPolarHBondContact OD2-CE 3.46Å; D245-K318 IonicContact OD2-NZ 2.97Å; D245-K318 PolarHBondContact OD2-NZ 2.88Å; T249-K318 HydrophobicContact CG2-CD 3.94Å; T249-K318 PolarHBondContact OG1-NZ 3.47Å; D314-K318 VanDerWaalsContact O-CB 3.27Å; D314-K318 WeakPolarHBondContact O-CB 3.48Å; D314-K318 PolarHBondContact O-N 3.08Å; V315-K318 PolarHBondContact O-N 3.19Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.49Å; K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 PolarHBondContact O-N 3.01Å
319I88.1Confident88.1Confident19 Ų1978.7 Ų78.710%0.09738%0.384CS..Hα-helixtrans-64.7-45.4174.7-70.5170.2000109.8L149 R152 T246 I250 V315 L316 L321 L322 D323L149-I319 HydrophobicContact CD2-CD1 3.61Å; R152-I319 HydrophobicContact CB-CD1 4.25Å; T246-I319 HydrophobicContact CG2-CG1 4.08Å; I250-I319 HydrophobicContact CD1-CD1 4.04Å; I250-I319 HydrophobicContact CD1-CG1 4.38Å; I250-I319 HydrophobicContact CG1-CD1 4.36Å; V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.32Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.41Å; L316-I319 PolarHBondContact O-N 3.31Å; I319-L321 PolarHBondContact O-N 3.04Å; I319-L322 WeakPolarHBondContact O-CB 3.34Å; I319-L322 PolarHBondContact O-N 3.38Å; I319-D323 PolarHBondContact O-N 3.07Å
320E87.6Confident87.8Confident115 Ų11577.2 Ų77.254%0.53737%0.368SS..Hα-helixtrans-62-43.6179-172.2176.5177.700112.2L316 E317 L322 D323 Q324L316-E320 PolarHBondContact O-N 3.45Å; E317-E320 PolarHBondContact O-N 2.88Å; E320-L322 VanDerWaalsContact C-N 3.32Å; E320-L322 PolarHBondContact O-N 2.96Å; E320-D323 PolarHBondContact O-N 3.36Å; E320-Q324 WeakPolarHBondContact O-CB 3.34Å; E320-Q324 WeakPolarHBondContact O-CG 3.38Å; E320-Q324 PolarHBondContact O-N 3.11Å; E320-Q324 PolarHBondContact OE1-NE2 2.98Å
321L89.1Confident87.6Confident112 Ų11274.5 Ų74.559%0.58636%0.363SS*.Hα-helixtrans-63-38.3175.1-71.8171.6000112.5E317 I319 K325E317-L321 WeakPolarHBondContact O-CB 3.49Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.38Å; E317-L321 PolarHBondContact O-N 2.92Å; I319-L321 PolarHBondContact O-N 3.04Å; L321-K325 WeakPolarHBondContact O-CB 3.11Å; L321-K325 PolarHBondContact O-N 3.36Å; L321-K325 VanDerWaalsContact O-N 3.13Å
322L88.8Confident87.5Confident16 Ų1677.6 Ų77.68%0.08438%0.376CS..Hα-helixtrans-63.7-47.7175.3-175.771.7000110.6L156 Y238 A242 T246 K318 I319 E320 K325 H326L156-L322 HydrophobicContact CD1-CD2 3.56Å; L156-L322 HydrophobicContact CD2-CD2 4.44Å; Y238-L322 HydrophobicContact CD2-CD1 4.38Å; Y238-L322 HydrophobicContact CE2-CD1 3.66Å; Y238-L322 HydrophobicContact CE2-CG 4.15Å; A242-L322 HydrophobicContact CB-CD1 3.71Å; T246-L322 HydrophobicContact CG2-CD2 4.04Å; K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 PolarHBondContact O-N 3.01Å; I319-L322 WeakPolarHBondContact O-CB 3.34Å; I319-L322 PolarHBondContact O-N 3.38Å; E320-L322 VanDerWaalsContact C-N 3.32Å; E320-L322 PolarHBondContact O-N 2.96Å; L322-K325 PolarHBondContact O-N 3.43Å; L322-H326 WeakPolarHBondContact O-CB 3.22Å; L322-H326 PolarHBondContact O-N 2.89Å
323D84.9Confident87.4Confident61 Ų6172.7 Ų72.733%0.32636%0.358SS..Hα-helixtrans-63-44.2-179.6-76.2-10.4000111.5R152 I319 E320 H326 V327R152-D323 IonicContact NH1-OD2 3.57Å; I319-D323 PolarHBondContact O-N 3.07Å; E320-D323 PolarHBondContact O-N 3.36Å; D323-H326 WeakPolarHBondContact O-CB 3.4Å; D323-H326 PolarHBondContact O-N 3.13Å; D323-V327 WeakPolarHBondContact O-CG2 3.47Å; D323-V327 PolarHBondContact O-N 3.13Å
324Q86Confident87.4Confident105 Ų10570.7 Ų70.749%0.49135%0.352SS..Hα-helixtrans-62.1-48.2178.3-74177.98.500112.1E320 H326 Q328E320-Q324 WeakPolarHBondContact O-CB 3.34Å; E320-Q324 WeakPolarHBondContact O-CG 3.38Å; E320-Q324 PolarHBondContact O-N 3.11Å; E320-Q324 PolarHBondContact OE1-NE2 2.98Å; Q324-H326 VanDerWaalsContact C-N 3.34Å; Q324-Q328 PolarHBondContact O-N 3.35Å
325K82.8Confident87.5Confident128 Ų12873.7 Ų73.756%0.55736%0.364SS*.Hα-helixtrans-63.8-42.9177.9-177.4177.1178.8178.40111.2L321 L322 V327 Q328 D329L321-K325 WeakPolarHBondContact O-CB 3.11Å; L321-K325 PolarHBondContact O-N 3.36Å; L321-K325 VanDerWaalsContact O-N 3.13Å; L322-K325 PolarHBondContact O-N 3.43Å; K325-V327 PolarHBondContact O-N 2.86Å; K325-Q328 PolarHBondContact O-N 2.98Å; K325-D329 WeakPolarHBondContact CE-OD2 3.34Å; K325-D329 WeakPolarHBondContact O-CB 3.18Å; K325-D329 PolarHBondContact O-N 3.28Å
326H82Confident87.5Confident28 Ų2877.7 Ų77.713%0.1338%0.379CS..Hα-helixtrans-56.9-49.5179.4168.283.1000113.1Y163 Y238 L322 D323 Q324 Q328 D329 I330Y163-H326 AromaticContact CE1-CE1 3.99Å; Y163-H326 AromaticContact CE2-CE1 3.26Å; Y163-H326 WeakPolarHBondContact CE2-CE1 3.47Å; Y163-H326 AromaticContact CZ-CE1 3.08Å; Y163-H326 AromaticContact CZ-ND1 3.69Å; Y163-H326 AromaticContact CZ-NE2 3.95Å; Y163-H326 PolarHBondContact OH-CE1 3.15Å; Y163-H326 PolarHBondContact OH-ND1 3.49Å; Y163-H326 PolarHBondContact OH-NE2 3.43Å; Y238-H326 AromaticContact CE1-CE1 3.73Å; Y238-H326 AromaticContact CE1-ND1 3.36Å; Y238-H326 WeakPolarHBondContact CE1-ND1 3.28Å; Y238-H326 HydrophobicContact CE2-CB 3.92Å; Y238-H326 AromaticContact CE2-ND1 3.65Å; Y238-H326 AromaticContact CZ-CE1 3.73Å; Y238-H326 AromaticContact CZ-CG 3.86Å; Y238-H326 AromaticContact CZ-ND1 3.08Å; Y238-H326 PolarHBondContact OH-CE1 2.97Å; Y238-H326 PolarHBondContact OH-ND1 3.38Å; L322-H326 WeakPolarHBondContact O-CB 3.22Å; L322-H326 PolarHBondContact O-N 2.89Å; D323-H326 WeakPolarHBondContact O-CB 3.4Å; D323-H326 PolarHBondContact O-N 3.13Å; Q324-H326 VanDerWaalsContact C-N 3.34Å; H326-Q328 VanDerWaalsContact C-N 3.3Å; H326-Q328 PolarHBondContact O-N 3.4Å; H326-D329 PolarHBondContact O-N 3.08Å; H326-I330 WeakPolarHBondContact O-CG2 3.32Å; H326-I330 PolarHBondContact O-N 2.95Å
327V83.6Confident87.7Confident86 Ų8676 Ų7652%0.52137%0.368SS..Hα-helixtrans-62.1-40.2-178.41710000111D323 K325 I330 V331D323-V327 WeakPolarHBondContact O-CG2 3.47Å; D323-V327 PolarHBondContact O-N 3.13Å; K325-V327 PolarHBondContact O-N 2.86Å; V327-I330 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 2.89Å
328Q83.8Confident87.8Confident144 Ų14476.1 Ų76.167%0.67338%0.375SS*.Hα-helixtrans-66.5-47.4177.3-68.3179.5-6.800111.7Q324 K325 H326 F332Q324-Q328 PolarHBondContact O-N 3.35Å; K325-Q328 PolarHBondContact O-N 2.98Å; H326-Q328 VanDerWaalsContact C-N 3.3Å; H326-Q328 PolarHBondContact O-N 3.4Å; Q328-F332 PolarHBondContact O-N 2.91Å
329D83.9Confident88.1Confident67 Ų6776.1 Ų76.136%0.35838%0.381SS..Hα-helixtrans-62.9-47-177.9-72.7-13.8000110.9K325 H326 V331 F332 Q333K325-D329 WeakPolarHBondContact CE-OD2 3.34Å; K325-D329 WeakPolarHBondContact O-CB 3.18Å; K325-D329 PolarHBondContact O-N 3.28Å; H326-D329 PolarHBondContact O-N 3.08Å; D329-V331 PolarHBondContact O-N 2.91Å; D329-F332 PolarHBondContact O-N 3.45Å; D329-Q333 VanDerWaalsContact O-CG 3.3Å; D329-Q333 WeakPolarHBondContact O-CG 3.47Å; D329-Q333 PolarHBondContact O-N 3.31Å
330I85.1Confident88.4Confident26 Ų2675.7 Ų75.713%0.13338%0.382CS..Hα-helixtrans-66.7-40.1-176.5-16760.8000113Y163 L166 L235 H326 V327 F332 Q333 L334Y163-I330 HydrophobicContact CE1-CD1 3.8Å; Y163-I330 HydrophobicContact CE1-CG1 4.49Å; Y163-I330 VanDerWaalsContact OH-CB 3.25Å; Y163-I330 WeakPolarHBondContact OH-CB 3.38Å; Y163-I330 WeakPolarHBondContact OH-CD1 3.48Å; Y163-I330 WeakPolarHBondContact OH-CG1 3.49Å; L166-I330 HydrophobicContact CD2-CD1 4.05Å; L235-I330 HydrophobicContact CD2-CD1 4.26Å; H326-I330 WeakPolarHBondContact O-CG2 3.32Å; H326-I330 PolarHBondContact O-N 2.95Å; V327-I330 WeakPolarHBondContact O-CG2 3.42Å; I330-F332 VanDerWaalsContact C-N 3.31Å; I330-F332 PolarHBondContact O-N 3.35Å; I330-Q333 PolarHBondContact O-N 3.47Å; I330-L334 HydrophobicContact CD1-CD1 4.49Å; I330-L334 HydrophobicContact CD1-CG 4.26Å; I330-L334 HydrophobicContact CG1-CD1 3.99Å; I330-L334 HydrophobicContact CG1-CG 4.2Å; I330-L334 WeakPolarHBondContact O-CB 3.38Å; I330-L334 WeakPolarHBondContact O-CG 3.37Å; I330-L334 PolarHBondContact O-N 2.95Å
331V89.4Confident88.8Confident84 Ų8471.6 Ų71.651%0.50936%0.363SS..Hα-helixtrans-61.8-45178.41700000109.7V327 D329 Q333 L334 Q335V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 2.89Å; D329-V331 PolarHBondContact O-N 2.91Å; V331-Q333 PolarHBondContact O-N 3Å; V331-L334 PolarHBondContact O-N 3.34Å; V331-Q335 WeakPolarHBondContact O-CB 3.43Å; V331-Q335 PolarHBondContact O-N 3.29Å
332F89.8Confident89.2Confident113 Ų11369 Ų6950%0.49636%0.355SS..Hα-helixtrans-61-45176.4179.1-98.3000112.1Q328 D329 I330 Q335 R336Q328-F332 PolarHBondContact O-N 2.91Å; D329-F332 PolarHBondContact O-N 3.45Å; I330-F332 VanDerWaalsContact C-N 3.31Å; I330-F332 PolarHBondContact O-N 3.35Å; F332-Q335 PolarHBondContact O-N 3.19Å; F332-R336 WeakPolarHBondContact O-CB 3.31Å; F332-R336 PolarHBondContact O-N 3.2Å
333Q88.6Confident89.5Confident6 Ų674 Ų743%0.02838%0.377CS..Hα-helixtrans-65.4-42.7179.2-65-47.4-33.900112.8M231 D234 D329 I330 V331 R336 F337M231-Q333 VanDerWaalsContact CA-OE1 3.26Å; M231-Q333 VanDerWaalsContact CB-OE1 3.25Å; M231-Q333 HydrophobicContact CG-CB 3.86Å; M231-Q333 HydrophobicContact CG-CG 4.03Å; M231-Q333 HydrophobicContact SD-CB 3.9Å; D234-Q333 PolarHBondContact OD2-NE2 3Å; D329-Q333 VanDerWaalsContact O-CG 3.3Å; D329-Q333 WeakPolarHBondContact O-CG 3.47Å; D329-Q333 PolarHBondContact O-N 3.31Å; I330-Q333 PolarHBondContact O-N 3.47Å; V331-Q333 PolarHBondContact O-N 3Å; Q333-R336 PolarHBondContact O-N 3.44Å; Q333-F337 WeakPolarHBondContact O-CB 3.37Å; Q333-F337 PolarHBondContact O-N 3.48Å
334L89.9Confident90.1Very high82 Ų8271.7 Ų71.743%0.42936%0.364SS..Hα-helixtrans-65.6-41.2177.5-71.4175.7000111.6I330 V331 F337 V338I330-L334 HydrophobicContact CD1-CD1 4.49Å; I330-L334 HydrophobicContact CD1-CG 4.26Å; I330-L334 HydrophobicContact CG1-CD1 3.99Å; I330-L334 HydrophobicContact CG1-CG 4.2Å; I330-L334 WeakPolarHBondContact O-CB 3.38Å; I330-L334 WeakPolarHBondContact O-CG 3.37Å; I330-L334 PolarHBondContact O-N 2.95Å; V331-L334 PolarHBondContact O-N 3.34Å; L334-F337 WeakPolarHBondContact O-CB 3.3Å; L334-F337 PolarHBondContact O-N 2.98Å; L334-V338 WeakPolarHBondContact O-CG2 3.33Å; L334-V338 PolarHBondContact O-N 3.45Å
335Q92.6Very high90.6Very high124 Ų12472.7 Ų72.758%0.57936%0.364SS*.Hα-helixtrans-62.1-45.8174.8-175177.2-5.100111V331 F332 F337 V338 S339V331-Q335 WeakPolarHBondContact O-CB 3.43Å; V331-Q335 PolarHBondContact O-N 3.29Å; F332-Q335 PolarHBondContact O-N 3.19Å; Q335-F337 VanDerWaalsContact C-N 3.28Å; Q335-F337 PolarHBondContact O-N 3.4Å; Q335-V338 PolarHBondContact O-N 3.45Å; Q335-S339 VanDerWaalsContact O-CB 3.29Å; Q335-S339 WeakPolarHBondContact O-CB 3.28Å; Q335-S339 PolarHBondContact O-N 3.44Å; Q335-S339 PolarHBondContact O-OG 3.15Å; Q335-S339 VanDerWaalsContact O-OG 3.13Å
336R91.3Very high91.2Very high86 Ų8670.9 Ų70.933%0.32536%0.36SS..Hα-helixtrans-57.5-42.1175.3-172-179.4-151.4160.28.5112.1T227 F332 Q333 G340T227-R336 HydrophobicContact CG2-CG 4.2Å; T227-R336 PolarHBondContact O-NE 2.85Å; T227-R336 VanDerWaalsContact O-NE 3.07Å; F332-R336 WeakPolarHBondContact O-CB 3.31Å; F332-R336 PolarHBondContact O-N 3.2Å; Q333-R336 PolarHBondContact O-N 3.44Å; R336-G340 PolarHBondContact O-N 3Å
337F92.7Very high91.9Very high52 Ų5272.6 Ų72.623%0.22837%0.37CS..Hα-helixtrans-63.2-53.8177.1177.5-103000111.7L173 I228 M231 Q333 L334 Q335 G340 M341L173-F337 HydrophobicContact CD2-CE2 3.59Å; L173-F337 HydrophobicContact CD2-CZ 3.61Å; I228-F337 HydrophobicContact CD1-CD2 3.75Å; I228-F337 HydrophobicContact CD1-CE2 3.98Å; I228-F337 HydrophobicContact CG1-CD2 4.32Å; I228-F337 HydrophobicContact CG2-CD2 4.14Å; M231-F337 HydrophobicContact CE-CB 4.02Å; M231-F337 HydrophobicContact CE-CD2 3.85Å; M231-F337 HydrophobicContact CE-CG 4.28Å; M231-F337 HydrophobicContact SD-CB 4.45Å; Q333-F337 WeakPolarHBondContact O-CB 3.37Å; Q333-F337 PolarHBondContact O-N 3.48Å; L334-F337 WeakPolarHBondContact O-CB 3.3Å; L334-F337 PolarHBondContact O-N 2.98Å; Q335-F337 VanDerWaalsContact C-N 3.28Å; Q335-F337 PolarHBondContact O-N 3.4Å; F337-G340 PolarHBondContact O-N 3.28Å; F337-M341 HydrophobicContact CD2-CG 4.31Å; F337-M341 HydrophobicContact CE1-CG 4.22Å; F337-M341 HydrophobicContact CE2-CG 3.95Å; F337-M341 HydrophobicContact CE2-SD 4.31Å; F337-M341 HydrophobicContact CZ-CG 3.9Å; F337-M341 HydrophobicContact CZ-SD 4.37Å; F337-M341 WeakPolarHBondContact O-CB 3.35Å; F337-M341 VanDerWaalsContact O-CG 3.22Å; F337-M341 WeakPolarHBondContact O-CG 3.44Å; F337-M341 PolarHBondContact O-N 3.49Å
338V94.8Very high92.4Very high94 Ų9469 Ų6957%0.5735%0.349SS*.Hα-helixtrans-63-46.4-178.1173.40000111.2L334 Q335 M341 S342L334-V338 WeakPolarHBondContact O-CG2 3.33Å; L334-V338 PolarHBondContact O-N 3.45Å; Q335-V338 PolarHBondContact O-N 3.45Å; V338-M341 PolarHBondContact O-N 3.18Å; V338-S342 WeakPolarHBondContact O-CB 3.43Å; V338-S342 PolarHBondContact O-N 2.84Å
339S95.8Very high92.9Very high50 Ų5069 Ų6935%0.3534%0.344SS..Hα-helixtrans-63.2-44.4177.5-64.60000111.6Q335 M341 S342 H343Q335-S339 VanDerWaalsContact O-CB 3.29Å; Q335-S339 WeakPolarHBondContact O-CB 3.28Å; Q335-S339 PolarHBondContact O-N 3.44Å; Q335-S339 PolarHBondContact O-OG 3.15Å; Q335-S339 VanDerWaalsContact O-OG 3.13Å; S339-M341 VanDerWaalsContact C-N 3.34Å; S339-M341 PolarHBondContact O-N 3.42Å; S339-S342 PolarHBondContact O-N 3.45Å; S339-H343 WeakPolarHBondContact O-CB 3.19Å; S339-H343 PolarHBondContact O-CD2 3.21Å; S339-H343 PolarHBondContact O-N 3.36Å
340G94.7Very high93.4Very high10 Ų1067.9 Ų67.910%0.10334%0.344CS..Hα-helixtrans-59.4-45.4176.800000112.2L224 R336 F337 Y344L224-G340 VanDerWaalsContact CD1-O 3.27Å; L224-G340 WeakPolarHBondContact CD1-O 3.4Å; R336-G340 PolarHBondContact O-N 3Å; F337-G340 PolarHBondContact O-N 3.28Å; G340-Y344 PolarHBondContact O-N 3.28Å
341M95Very high93.7Very high29 Ų2967.5 Ų67.514%0.14334%0.343CS..Hα-helixtrans-63.7-44.1176.7-70.3-69.9-74.100112.2F177 L224 I228 F337 V338 S339 Y344 Y345F177-M341 HydrophobicContact CE2-CE 3.93Å; F177-M341 HydrophobicContact CE2-SD 4.13Å; F177-M341 HydrophobicContact CZ-CE 3.78Å; F177-M341 HydrophobicContact CZ-SD 4.04Å; L224-M341 HydrophobicContact CD1-SD 4.16Å; L224-M341 HydrophobicContact CD2-SD 3.94Å; I228-M341 HydrophobicContact CD1-CG 4.28Å; I228-M341 HydrophobicContact CD1-SD 4.22Å; F337-M341 HydrophobicContact CD2-CG 4.31Å; F337-M341 HydrophobicContact CE1-CG 4.22Å; F337-M341 HydrophobicContact CE2-CG 3.95Å; F337-M341 HydrophobicContact CE2-SD 4.31Å; F337-M341 HydrophobicContact CZ-CG 3.9Å; F337-M341 HydrophobicContact CZ-SD 4.37Å; F337-M341 WeakPolarHBondContact O-CB 3.35Å; F337-M341 VanDerWaalsContact O-CG 3.22Å; F337-M341 WeakPolarHBondContact O-CG 3.44Å; F337-M341 PolarHBondContact O-N 3.49Å; V338-M341 PolarHBondContact O-N 3.18Å; S339-M341 VanDerWaalsContact C-N 3.34Å; S339-M341 PolarHBondContact O-N 3.42Å; M341-Y344 PolarHBondContact O-N 3.5Å; M341-Y345 HydrophobicContact CE-CE2 3.76Å; M341-Y345 WeakPolarHBondContact O-CD2 3.42Å; M341-Y345 PolarHBondContact O-N 2.97Å; M341-Y345 VanDerWaalsContact O-N 3.11Å
342S97.2Very high93.6Very high59 Ų5967.5 Ų67.541%0.41334%0.339SS..Hα-helixtrans-58.9-52.3176.8-167.60000110.9V338 S339 Y344 Y345 D346V338-S342 WeakPolarHBondContact O-CB 3.43Å; V338-S342 PolarHBondContact O-N 2.84Å; S339-S342 PolarHBondContact O-N 3.45Å; S342-Y344 VanDerWaalsContact C-N 3.33Å; S342-Y344 PolarHBondContact O-N 3.41Å; S342-Y345 PolarHBondContact O-N 3.5Å; S342-Y345 VanDerWaalsContact O-N 3.13Å; S342-D346 WeakPolarHBondContact O-CB 3.47Å; S342-D346 VanDerWaalsContact O-CG 3.24Å; S342-D346 PolarHBondContact O-N 2.93Å; S342-D346 PolarHBondContact OG-OD2 3.06Å
343H96.6Very high93.5Very high120 Ų12068.7 Ų68.756%0.55634%0.344SS*.Hα-helixtrans-56.4-46.6179.1-79.4-62.3000112S339 Y345 D346 D347S339-H343 WeakPolarHBondContact O-CB 3.19Å; S339-H343 PolarHBondContact O-CD2 3.21Å; S339-H343 PolarHBondContact O-N 3.36Å; H343-Y345 VanDerWaalsContact C-N 3.34Å; H343-Y345 PolarHBondContact O-N 2.96Å; H343-D346 PolarHBondContact O-N 2.87Å; H343-D347 WeakPolarHBondContact O-CB 3.2Å; H343-D347 PolarHBondContact O-N 3.37Å
344Y96.6Very high93.2Very high12 Ų1276.4 Ų76.45%0.04738%0.381CS..Hα-helixtrans-55.5-48176.2169.2-97.9000112.4F177 L224 G340 M341 S342 C348F177-Y344 HydrophobicContact CD1-CE1 4.47Å; F177-Y344 HydrophobicContact CE1-CD1 4.08Å; F177-Y344 AromaticContact CE1-CE1 3.63Å; F177-Y344 HydrophobicContact CE1-CE1 3.63Å; L224-Y344 HydrophobicContact CB-CD2 4.26Å; L224-Y344 HydrophobicContact CB-CG 4.47Å; L224-Y344 HydrophobicContact CD2-CD1 4.15Å; L224-Y344 HydrophobicContact CD2-CD2 4.13Å; L224-Y344 HydrophobicContact CD2-CG 3.81Å; G340-Y344 PolarHBondContact O-N 3.28Å; M341-Y344 PolarHBondContact O-N 3.5Å; S342-Y344 VanDerWaalsContact C-N 3.33Å; S342-Y344 PolarHBondContact O-N 3.41Å; Y344-C348 VanDerWaalsContact CE2-SG 3.56Å; Y344-C348 VanDerWaalsContact CZ-SG 3.53Å; Y344-C348 WeakPolarHBondContact O-CB 3.05Å; Y344-C348 PolarHBondContact O-N 3.21Å; Y344-C348 PolarHBondContact O-SG 3.38Å
345Y96.1Very high92.5Very high127 Ų12773 Ų7350%0.49836%0.364SS..Hα-helixtrans-71.3-36.5-178.6-74.5-60.6000112.8M341 S342 H343 C348 Y349M341-Y345 HydrophobicContact CE-CE2 3.76Å; M341-Y345 WeakPolarHBondContact O-CD2 3.42Å; M341-Y345 PolarHBondContact O-N 2.97Å; M341-Y345 VanDerWaalsContact O-N 3.11Å; S342-Y345 PolarHBondContact O-N 3.5Å; S342-Y345 VanDerWaalsContact O-N 3.13Å; H343-Y345 VanDerWaalsContact C-N 3.34Å; H343-Y345 PolarHBondContact O-N 2.96Å; Y345-C348 PolarHBondContact O-N 2.98Å; Y345-Y349 VanDerWaalsContact O-CB 3.28Å; Y345-Y349 WeakPolarHBondContact O-CB 3.3Å; Y345-Y349 PolarHBondContact O-N 3.42Å
346D97Very high91.3Very high89 Ų8973.6 Ų73.648%0.47637%0.371SS..Hα-helixtrans-63.7-43.6175.8-69.4-34.6000110.9S342 H343 Y349 A350S342-D346 WeakPolarHBondContact O-CB 3.47Å; S342-D346 VanDerWaalsContact O-CG 3.24Å; S342-D346 PolarHBondContact O-N 2.93Å; S342-D346 PolarHBondContact OG-OD2 3.06Å; H343-D346 PolarHBondContact O-N 2.87Å; D346-Y349 PolarHBondContact O-N 2.62Å; D346-A350 WeakPolarHBondContact O-CB 3.43Å; D346-A350 PolarHBondContact O-N 3.34Å
347D95.8Very high90.1Very high64 Ų6470.9 Ų70.934%0.34236%0.364SS..Hα-helixtrans-67-41.2177.1-69-23.9000111.7Y220 H343 A350 V351Y220-D347 HydrophobicContact CD1-CB 4.35Å; Y220-D347 HydrophobicContact CD2-CB 3.77Å; Y220-D347 HydrophobicContact CE1-CB 4.4Å; Y220-D347 HydrophobicContact CE2-CB 3.78Å; Y220-D347 HydrophobicContact CG-CB 4.07Å; H343-D347 WeakPolarHBondContact O-CB 3.2Å; H343-D347 PolarHBondContact O-N 3.37Å; D347-A350 PolarHBondContact O-N 3.42Å; D347-V351 WeakPolarHBondContact O-CG2 3.49Å; D347-V351 PolarHBondContact O-N 2.94Å; D347-V351 VanDerWaalsContact O-N 3.15Å
348C94.5Very high88.6Confident11 Ų1175.8 Ų75.87%0.07439%0.386CS..Hα-helixtrans-63.2-43.2174-69.50000111.5I217 Y344 Y345 V351 L352I217-C348 HydrophobicContact CG1-CB 4.41Å; Y344-C348 VanDerWaalsContact CE2-SG 3.56Å; Y344-C348 VanDerWaalsContact CZ-SG 3.53Å; Y344-C348 WeakPolarHBondContact O-CB 3.05Å; Y344-C348 PolarHBondContact O-N 3.21Å; Y344-C348 PolarHBondContact O-SG 3.38Å; Y345-C348 PolarHBondContact O-N 2.98Å; C348-V351 PolarHBondContact O-N 3.44Å; C348-L352 WeakPolarHBondContact O-CB 3.4Å; C348-L352 WeakPolarHBondContact O-CG 3.18Å; C348-L352 PolarHBondContact O-N 3.2Å
349Y94.3Very high86.9Confident144 Ų14476.9 Ų76.957%0.56540%0.395SS*.Hα-helixtrans-62.3-44.3177.1172-102.3000111.5Y345 D346 V351 L352 K353Y345-Y349 VanDerWaalsContact O-CB 3.28Å; Y345-Y349 WeakPolarHBondContact O-CB 3.3Å; Y345-Y349 PolarHBondContact O-N 3.42Å; D346-Y349 PolarHBondContact O-N 2.62Å; Y349-V351 VanDerWaalsContact C-N 3.35Å; Y349-V351 PolarHBondContact O-N 3.23Å; Y349-L352 PolarHBondContact O-N 3.26Å; Y349-K353 HydrophobicContact CE1-CD 3.9Å; Y349-K353 WeakPolarHBondContact O-CB 3.47Å; Y349-K353 PolarHBondContact O-N 3.31Å
350A93.3Very high85.3Confident43 Ų4376.4 Ų76.436%0.35539%0.388SS..Hα-helixtrans-57.9-47.4178.300000111.6D346 D347 K353 E354D346-A350 WeakPolarHBondContact O-CB 3.43Å; D346-A350 PolarHBondContact O-N 3.34Å; D347-A350 PolarHBondContact O-N 3.42Å; A350-K353 PolarHBondContact O-N 3.08Å; A350-E354 PolarHBondContact O-N 3.23Å
351V92.1Very high83.7Confident19 Ų1982.6 Ų82.612%0.11541%0.414CS..Hα-helixtrans-65.3-41.7178.6170.20000112.1A213 N216 Y220 D347 C348 Y349 A355A213-V351 VanDerWaalsContact CA-CG1 3.42Å; A213-V351 HydrophobicContact CB-CG1 3.55Å; N216-V351 HydrophobicContact CB-CG1 4.39Å; N216-V351 HydrophobicContact CB-CG2 4.29Å; Y220-V351 HydrophobicContact CE2-CG2 3.68Å; D347-V351 WeakPolarHBondContact O-CG2 3.49Å; D347-V351 PolarHBondContact O-N 2.94Å; D347-V351 VanDerWaalsContact O-N 3.15Å; C348-V351 PolarHBondContact O-N 3.44Å; Y349-V351 VanDerWaalsContact C-N 3.35Å; Y349-V351 PolarHBondContact O-N 3.23Å; V351-A355 PolarHBondContact O-N 2.82Å
352L87.4Confident82.1Confident83 Ų8384.2 Ų84.244%0.43543%0.425SS..Hα-helixtrans-70.9-33.5178.6-72.2172.7000112.7I217 C348 Y349 E354 A355I217-L352 HydrophobicContact CD1-CD1 4.42Å; I217-L352 HydrophobicContact CD1-CD2 4.18Å; I217-L352 HydrophobicContact CD1-CG 4.22Å; C348-L352 WeakPolarHBondContact O-CB 3.4Å; C348-L352 WeakPolarHBondContact O-CG 3.18Å; C348-L352 PolarHBondContact O-N 3.2Å; Y349-L352 PolarHBondContact O-N 3.26Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-A355 PolarHBondContact O-N 3.44Å
353K87.7Confident80.2Confident138 Ų13884 Ų8460%0.642%0.42SS*.Hα-helixtrans-65.5-36.6176.8-178.3-175179.3-178.60112.1Y349 A350 A355Y349-K353 HydrophobicContact CE1-CD 3.9Å; Y349-K353 WeakPolarHBondContact O-CB 3.47Å; Y349-K353 PolarHBondContact O-N 3.31Å; A350-K353 PolarHBondContact O-N 3.08Å; K353-A355 VanDerWaalsContact C-N 3.31Å
354E82.6Confident78.5Confident169 Ų16983.6 Ų83.679%0.7942%0.421SS*.Hα-helixtrans-75.6-22.1175.7-69.8-179.2179.900112.6A350 L352 D356A350-E354 PolarHBondContact O-N 3.23Å; L352-E354 VanDerWaalsContact C-N 3.33Å; E354-D356 PolarHBondContact O-N 2.86Å
355A74.9Confident76.7Confident11 Ų1186.6 Ų86.69%0.09144%0.444CS..  trans-85.239.4175.600000113.1F210 A213 V351 L352 K353 V357F210-A355 HydrophobicContact CE1-CB 4.47Å; A213-A355 HydrophobicContact CB-CB 4.41Å; V351-A355 PolarHBondContact O-N 2.82Å; L352-A355 PolarHBondContact O-N 3.44Å; K353-A355 VanDerWaalsContact C-N 3.31Å; A355-V357 WeakPolarHBondContact O-CG2 3.49Å; A355-V357 PolarHBondContact O-N 2.93Å; A355-V357 VanDerWaalsContact O-N 3.17Å
356D67.9Low74.7Confident135 Ų13588.9 Ų88.972%0.72245%0.452SS*.  trans-78.396171.6-171.317.6000109.8E354E354-D356 PolarHBondContact O-N 2.86Å
357V64.8Low72.5Confident29 Ų2988.3 Ų88.318%0.17645%0.451CS..  trans-122.418.4-175.1-143.70000113.4A206 K209 F210 A355 I360A206-V357 HydrophobicContact CB-CB 3.88Å; A206-V357 HydrophobicContact CB-CG1 3.33Å; A206-V357 HydrophobicContact CB-CG2 4.45Å; K209-V357 HydrophobicContact CB-CG2 4.33Å; K209-V357 HydrophobicContact CD-CG2 4.17Å; F210-V357 HydrophobicContact CE2-CB 4.18Å; F210-V357 HydrophobicContact CE2-CG2 3.99Å; F210-V357 HydrophobicContact CZ-CG2 4.34Å; A355-V357 WeakPolarHBondContact O-CG2 3.49Å; A355-V357 PolarHBondContact O-N 2.93Å; A355-V357 VanDerWaalsContact O-N 3.17Å; V357-I360 VanDerWaalsContact O-CG1 3.23Å; V357-I360 WeakPolarHBondContact O-CG1 3.23Å
358F60.8Low70.3Confident156 Ų15692 Ų9268%0.68447%0.468SS*.  trans-91.6145.2177-82.9-86.2000112.8F210F210-F358 HydrophobicContact CZ-CE2 4.26Å
359P59.8Low67.9Low116 Ų11697.4 Ų97.475%0.75350%0.495SS*.SBendcis-82.2138.9-2.231.5-32.2000113.3
360I62.4Low65.5Low41 Ų4197.6 Ų97.621%0.2151%0.506CS..  trans-89.6110.7169.4-53174.5000107.8A203 A206 F210 V357 V362A203-I360 HydrophobicContact CB-CG2 3.77Å; A206-I360 HydrophobicContact CB-CD1 3.85Å; A206-I360 HydrophobicContact CB-CG1 4.03Å; F210-I360 HydrophobicContact CE2-CD1 3.98Å; V357-I360 VanDerWaalsContact O-CG1 3.23Å; V357-I360 WeakPolarHBondContact O-CG1 3.23Å; I360-V362 HydrophobicContact CG2-CG2 3.69Å
361E61.1Low63.2Low140 Ų140106 Ų10665%0.65453%0.53SS*.  trans-78.9121.8164.9-68.8-178.3174.100108.2Q200Q200-E361 PolarHBondContact NE2-O 3.35Å; Q200-E361 PolarHBondContact OE1-O 3.41Å
362V60.9Low60.9Low62 Ų62109.5 Ų109.538%0.37656%0.555SS.*  trans-114.5118.9177-177.90000107.8I360 L364I360-V362 HydrophobicContact CG2-CG2 3.69Å; V362-L364 HydrophobicContact CG1-CD2 4.41Å; V362-L364 PolarHBondContact O-N 2.71Å
363D57.5Low58.7Low55 Ų55111.1 Ų111.129%0.29457%0.573SS.*  trans-77.785.3178.3-1734.9000111.1S365D363-S365 PolarHBondContact O-N 3.19Å; D363-S365 WeakPolarHBondContact OD1-CB 3.25Å; D363-S365 PolarHBondContact OD1-N 3.46Å; D363-S365 VanDerWaalsContact OD1-N 3.09Å; D363-S365 PolarHBondContact OD1-OG 3.32Å
364L61.1Low56.3Low111 Ų111113.2 Ų113.258%0.58159%0.585SS**Hα-helixtrans-63.7-16.5176.8-67.1169.2000113.3V362 M368V362-L364 HydrophobicContact CG1-CD2 4.41Å; V362-L364 PolarHBondContact O-N 2.71Å; L364-M368 PolarHBondContact O-N 3.47Å
365S59.8Low54.1Low75 Ų75110.9 Ų110.952%0.52459%0.588SS.*Hα-helixtrans-74.9-27.4-172.874.80000113.2D363 I369D363-S365 PolarHBondContact O-N 3.19Å; D363-S365 WeakPolarHBondContact OD1-CB 3.25Å; D363-S365 PolarHBondContact OD1-N 3.46Å; D363-S365 VanDerWaalsContact OD1-N 3.09Å; D363-S365 PolarHBondContact OD1-OG 3.32Å; S365-I369 VanDerWaalsContact O-CD1 3.25Å; S365-I369 WeakPolarHBondContact O-CD1 3.33Å; S365-I369 WeakPolarHBondContact O-CG1 3.45Å
366R53.2Low52.2Low176 Ų176117.2 Ų117.266%0.66462%0.619SS**Hα-helixtrans-85.8-28175.8-75.5-177.4172.1-170.6-0.1113.6
367T51Low50.5Low77 Ų77115.7 Ų115.747%0.47262%0.619SS.*Hα-helixtrans-86.2-29.6-173.3-36.70000112.8
368M48.7Very low48.9Very low141 Ų141124.1 Ų124.170%0.69565%0.649SS**G310 helixtrans-77.7-19-179-75.3-149.8178.200115.1L364 N370L364-M368 PolarHBondContact O-N 3.47Å; M368-N370 VanDerWaalsContact C-N 3.33Å; M368-N370 PolarHBondContact O-N 3.08Å
369I44.8Very low47.6Very low124 Ų124122.2 Ų122.264%0.63665%0.651SS**G310 helixtrans-79.1-14.7-171.4-61.9177.8000112.9S365S365-I369 VanDerWaalsContact O-CD1 3.25Å; S365-I369 WeakPolarHBondContact O-CD1 3.33Å; S365-I369 WeakPolarHBondContact O-CG1 3.45Å
370N43.4Very low46.3Very low149 Ų149123.9 Ų123.980%0.79765%0.653SS**G310 helixtrans-97.50.9-178.5-76.8-7.3000115.4M368M368-N370 VanDerWaalsContact C-N 3.33Å; M368-N370 PolarHBondContact O-N 3.08Å
371Y46Very low45Very low219 Ų219130.4 Ų130.486%0.85968%0.683SS**SBendtrans-91.4-9.6178.5-98-83.7000114.7S373Y371-S373 PolarHBondContact O-N 3.19Å
372S43.7Very low43.6Very low93 Ų93131 Ų13165%0.6569%0.691SS**SBendtrans-97.791.117763.40000111.1
373S40.7Very low42.4Very low116 Ų116137.3 Ų137.381%0.81172%0.716SS**SBendtrans152.434.3147.758.70000115.9Y371Y371-S373 PolarHBondContact O-N 3.19Å
374Q37.2Very low41.3Very low182 Ų182143.9 Ų143.985%0.8575%0.745SS**  trans-131.499.8154.8-82.5-173.9-21.200109.9L376Q374-L376 PolarHBondContact O-N 2.95Å
375S36.6Very low40.1Very low121 Ų121146.6 Ų146.685%0.84676%0.76SS**  trans-57102165.549.30000109.8S377S375-S377 PolarHBondContact O-N 3.17Å
376L35.8Very low38.7Very low143 Ų143146.2 Ų146.275%0.74977%0.768SS**  trans-77.3101.3164.1-86.6144.5000108Q374 Y378Q374-L376 PolarHBondContact O-N 2.95Å; L376-Y378 PolarHBondContact O-N 3.17Å
377S32Very low37.5Very low103 Ų103142 Ų14272%0.7278%0.78SS**  trans-70.2113.6162.756.30000108.4S375 T379S375-S377 PolarHBondContact O-N 3.17Å; S377-T379 PolarHBondContact O-N 3.09Å
378Y31.2Very low36.5Very low206 Ų206142.1 Ų142.181%0.80880%0.796SS**  trans-78.5111.1164.9-80.8-90.5000108.1L376L376-Y378 PolarHBondContact O-N 3.17Å
379T33.8Very low35.5Very low117 Ų117139.6 Ų139.672%0.71881%0.806SS**  trans-87.7114.1154.437.20000106.6S377 E381S377-T379 PolarHBondContact O-N 3.09Å; T379-E381 PolarHBondContact O-N 3.32Å
380D32.3Very low34.8Very low150 Ų150137.1 Ų137.180%0.80281%0.811SS**  trans-64.2115.2164.6-85.9-38.4000107.8
381E33.4Very low34.1Very low179 Ų179138.7 Ų138.784%0.83681%0.813SS**  trans-93.4104.8160.1-76.2-174.4168.100106.9T379 E383T379-E381 PolarHBondContact O-N 3.32Å; E381-E383 PolarHBondContact O-N 2.98Å
382D33.6Very low33.4Very low153 Ų153136.9 Ų136.982%0.81881%0.813SS**  trans-61.4113.9166.4-73.7-53.5000109.3E384D382-E384 PolarHBondContact O-N 3.38Å
383E35.8Very low32.6Very low194 Ų194136.2 Ų136.291%0.90782%0.821SS**  trans-82.3104.3160.4-80.2-169.4163.800108.9E381 D385E381-E383 PolarHBondContact O-N 2.98Å; E383-D385 PolarHBondContact O-N 2.54Å
384E34.2Very low32Very low193 Ų193134 Ų13490%0.90282%0.817SS**  trans-60.3123.6158.7-72.4-176.1151.800109.7D382D382-E384 PolarHBondContact O-N 3.38Å
385D34.9Very low31.5Very low167 Ų167130.7 Ų130.789%0.89381%0.813SS**  trans-127.2131.2148.9-156.44.2000109.7E383E383-D385 PolarHBondContact O-N 2.54Å
386G30.3Very low31.1Very low68 Ų68130.3 Ų130.370%0.70181%0.806SS**  trans-102.6162.2-162.400000114.7
387G29.1Very low30.8Very low88 Ų88132.2 Ų132.291%0.90781%0.811SS**  trans103.4124159.800000113.7
388G28.3Very low30.6Very low79 Ų79131.3 Ų131.381%0.81481%0.81SS**  cis153.4133.37.300000109.6
389G28.7Very low30.5Very low87 Ų87129.9 Ų129.990%0.89781%0.81SS**  trans86.6130.1163.100000116
390G29.3Very low30.3Very low72 Ų72131.9 Ų131.974%0.74282%0.817SS**  cis176.8154.81.700000108.9
391E29.8Very low30.2Very low182 Ų182128.1 Ų128.185%0.8581%0.813SS**  trans21.2139.3150.2-69.2172.4175.400119.8
392E30.2Very low30Very low182 Ų182126.2 Ų126.285%0.8581%0.814SS**  cis-176.3157.627.7-125.1178.5-177.400108.3
393G27.5Very low29.8Very low79 Ų79128 Ų12881%0.81482%0.818SS**  trans100.492.4137.700000121.3
394G27.3Very low29.8Very low70 Ų70128.2 Ų128.272%0.72282%0.815SS**  87109.4118.200000121.3
395S27.3Very low29.6Very low112 Ų112127.5 Ų127.578%0.78382%0.817SS**  trans51134.1134.365.10000119.5
396T29.1Very low29.6Very low112 Ų112127.2 Ų127.269%0.68781%0.813SS**  cis-175.1149.139.8-24.70000110
397Q28.5Very low29.6Very low183 Ų183131 Ų13186%0.85582%0.818SS**  trans49.3122.1141.4-81.3172.31.600122.2
398A28.8Very low29.6Very low84 Ų84133.8 Ų133.869%0.69481%0.812SS**  152.6129.993.800000112.9
399E27.6Very low29.9Very low176 Ų176143 Ų14382%0.82283%0.834SS**  trans49.1115.4135.7-60.7-176.2159.300121.6
400N30.8Very low30Very low160 Ų160145.9 Ų145.986%0.85683%0.831SS**  172.9137.3108.3-89.5-31.7000107.9
401G29.3Very low30Very low70 Ų70149.7 Ų149.772%0.72284%0.835SS**  cis110.790.443.800000106.7
402T28.8Very low30Very low140 Ų140147.9 Ų147.986%0.85984%0.835SS**  trans-57.7128.6171.534.20000113
403E31.1Very low30Very low191 Ų191145.9 Ų145.989%0.89383%0.834SS**  trans-147.4101.8152.5-95.3179.717400107.3
404K34.3Very low30.2Very low198 Ų198150.1 Ų150.186%0.86184%0.835SS**  63.9107.887.2-86.7-167.8177.1-176.20114.9
405L31.5Very low30.3Very low177 Ų177155.5 Ų155.593%0.92784%0.842SS**  trans-55.6140.1159.6-67.1143.7000110.9
406I33.8Very low30.6Very low161 Ų161158.6 Ų158.683%0.82685%0.847SS**  trans-117.2118.8166.7-64.3172.7000106.6
407D30Very low30.7Very low148 Ų148162.2 Ų162.279%0.79186%0.859SS**  trans-147.1141.1150.2-77.8-25000101.6
408D29.9Very low30.9Very low146 Ų146160.4 Ų160.478%0.78186%0.859SS**  cis-162.9143.56.3-96.6-39.4000104.5
409E34.3Very low31Very low274 Ų274167.4 Ų167.4100%1.2887%0.874SS**  trans-165.70137.8-111.6-176.5-172.100110.8

Retrieved 409 of 409 residues in 672.9 ms (Link to these results)

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