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Dystrophin Dp71a

Anchors the extracellular matrix to the cytoskeleton via F-actin. Ligand for dystroglycan. Component of the dystrophin-associated glycoprotein complex which accumulates at the neuromuscular junction (NMJ) and at a variety of synapses in the peripheral and central nervous systems and has a structural function in stabilizing the sarcolemma. Also implicated in signaling events and synaptic transmission.

AlphaFold DB , UniProt , Accession Q7TPH4, Species RAT (Rattus norvegicus, Rat), Gene Dmd, Length 604 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
1M38.7Very low54Low225 Ų225125.7 Ų125.7100%1.10861%0.612SS**  0125.70-166-179-65.500106.6
2R42.6Very low55.6Low75 Ų75122 Ų12228%0.28360%0.602SS.*PPolyproline II helixtrans-76.8126.4177.6-165.9176.7-163.5160.918.9108D108R2-D108 IonicContact CZ-OD1 3.95Å; R2-D108 IonicContact CZ-OD2 3.37Å; R2-D108 IonicContact NH1-OD1 3.26Å; R2-D108 IonicContact NH2-OD1 2.7Å; R2-D108 PolarHBondContact NH2-OD1 2.78Å; R2-D108 IonicContact NH2-OD2 2.73Å; R2-D108 PolarHBondContact NH2-OD2 3.1Å
3E44.8Very low57.1Low157 Ų157119.4 Ų119.473%0.73460%0.597SS**PPolyproline II helixtrans-62.8143174.4-64.6-160.1128.700110.3L5E3-L5 PolarHBondContact O-N 2.72Å
4H57.9Low58.7Low79 Ų79114.4 Ų114.437%0.36658%0.578SS.*PPolyproline II helixtrans-59.1136.2175.8-63.279.7000110K6 T13 W15H4-K6 PolarHBondContact O-N 3.4Å; H4-K6 VanDerWaalsContact O-N 3.1Å; H4-T13 HydrophobicContact CB-CG2 3.88Å; H4-W15 AromaticContact CE1-CH2 3.76Å; H4-W15 AromaticContact CE1-CZ2 3.84Å; H4-W15 AromaticContact NE2-CE2 3.69Å; H4-W15 AromaticContact NE2-CH2 3.68Å; H4-W15 AromaticContact NE2-CZ2 3.34Å; H4-W15 VanDerWaalsContact NE2-CZ2 3.34Å; H4-W15 WeakPolarHBondContact NE2-CZ2 3.46Å
5L58.6Low60.1Low65 Ų65114.4 Ų114.434%0.3457%0.569SS.*EExtended strand (participates in β ladder)trans-70.6111.2172.5-76.6166.2000108.6E3 G7 C14 H17E3-L5 PolarHBondContact O-N 2.72Å; L5-G7 PolarHBondContact O-N 2.95Å; L5-C14 PolarHBondContact N-O 3.45Å; L5-C14 PolarHBondContact O-N 2.82Å; L5-H17 HydrophobicContact CD1-CB 4.14Å
6K52.5Low61.6Low128 Ų128109.4 Ų109.456%0.55755%0.545SS*.EExtended strand (participates in β ladder)trans-84.5108.1-178.9-70.5167.1-175.5163.10109.4H4 H8 T13H4-K6 PolarHBondContact O-N 3.4Å; H4-K6 VanDerWaalsContact O-N 3.1Å; K6-H8 PolarHBondContact O-CD2 3.49Å; K6-H8 PolarHBondContact O-N 3.25Å; K6-H8 VanDerWaalsContact O-N 3.09Å; K6-T13 HydrophobicContact CG-CG2 4.07Å
7G55.3Low63.2Low28 Ų28104.6 Ų104.629%0.28952%0.52SS..EExtended strand (participates in β ladder)trans-70.498164.100000108.9L5 E9 T10 Q11 T12L5-G7 PolarHBondContact O-N 2.95Å; G7-E9 VanDerWaalsContact C-N 3.27Å; G7-E9 PolarHBondContact O-N 3.24Å; G7-T10 PolarHBondContact O-N 3.36Å; G7-T10 PolarHBondContact O-OG1 3.08Å; G7-Q11 WeakPolarHBondContact O-CA 3.32Å; G7-Q11 PolarHBondContact O-N 3Å; G7-T12 PolarHBondContact N-O 2.95Å; G7-T12 PolarHBondContact O-N 3.5Å
8H55.1Low64.7Low168 Ų168103.4 Ų103.478%0.77852%0.522SS*.THydrogen-bonded Turntrans-64.2-31.4-176.2-82.3-92.1000113.1K6K6-H8 PolarHBondContact O-CD2 3.49Å; K6-H8 PolarHBondContact O-N 3.25Å; K6-H8 VanDerWaalsContact O-N 3.09Å
9E55Low66.2Low199 Ų199103.3 Ų103.393%0.9352%0.517SS*.THydrogen-bonded Turntrans-76.3-37.9176.9-61.2179.6147.800112.5G7G7-E9 VanDerWaalsContact C-N 3.27Å; G7-E9 PolarHBondContact O-N 3.24Å
10T67.2Low67.6Low92 Ų9298.1 Ų98.156%0.56449%0.491SS*.THydrogen-bonded Turntrans-91.8-9.3-177.856.20000113.9G7 T12G7-T10 PolarHBondContact O-N 3.36Å; G7-T10 PolarHBondContact O-OG1 3.08Å; T10-T12 PolarHBondContact O-N 3.35Å; T10-T12 VanDerWaalsContact O-N 3.13Å; T10-T12 PolarHBondContact OG1-OG1 3.27Å
11Q66.3Low68.9Low167 Ų16795.8 Ų95.878%0.7848%0.482SS*.THydrogen-bonded Turntrans54.820.2-170.8-54.1-172.38.700114.7G7G7-Q11 WeakPolarHBondContact O-CA 3.32Å; G7-Q11 PolarHBondContact O-N 3Å
12T72.8Confident71.5Confident81 Ų8190.9 Ų90.950%0.49746%0.457SS..EExtended strand (participates in β ladder)trans-99.6139.9-179.8550000112.5G7 T10G7-T12 PolarHBondContact N-O 2.95Å; G7-T12 PolarHBondContact O-N 3.5Å; T10-T12 PolarHBondContact O-N 3.35Å; T10-T12 VanDerWaalsContact O-N 3.13Å; T10-T12 PolarHBondContact OG1-OG1 3.27Å
13T75.4Confident74.1Confident88 Ų8888.1 Ų88.154%0.5445%0.447SS..EExtended strand (participates in β ladder)trans-95.7122.3168.543.90000110.5H4 K6H4-T13 HydrophobicContact CB-CG2 3.88Å; K6-T13 HydrophobicContact CG-CG2 4.07Å
14C79Confident76.4Confident49 Ų4983 Ų8333%0.33142%0.421SS..EExtended strand (participates in β ladder)trans-116.9151176-155.90000112.1L5 D16L5-C14 PolarHBondContact N-O 3.45Å; L5-C14 PolarHBondContact O-N 2.82Å; C14-D16 PolarHBondContact SG-N 2.89Å; C14-D16 VanDerWaalsContact SG-N 3.43Å
15W79.9Confident78.2Confident115 Ų11585.6 Ų85.644%0.43643%0.434SS..SBendtrans-78.4-35.9164.9-68.2114.6000111.7H4 R122H4-W15 AromaticContact CE1-CH2 3.76Å; H4-W15 AromaticContact CE1-CZ2 3.84Å; H4-W15 AromaticContact NE2-CE2 3.69Å; H4-W15 AromaticContact NE2-CH2 3.68Å; H4-W15 AromaticContact NE2-CZ2 3.34Å; H4-W15 VanDerWaalsContact NE2-CZ2 3.34Å; H4-W15 WeakPolarHBondContact NE2-CZ2 3.46Å; W15-R122 HydrophobicContact CD2-CG 4.29Å; W15-R122 HydrophobicContact CZ2-CG 4.5Å
16D85.2Confident80Confident34 Ų3484.1 Ų84.118%0.18243%0.429CS..SBendtrans-77.4138.2-178.4-78.6-76.7000112.3C14 T21 N112 N116C14-D16 PolarHBondContact SG-N 2.89Å; C14-D16 VanDerWaalsContact SG-N 3.43Å; D16-T21 WeakPolarHBondContact CB-OG1 3.27Å; D16-N112 PolarHBondContact OD1-ND2 3.39Å; D16-N112 PolarHBondContact OD1-OD1 2.88Å; D16-N116 PolarHBondContact OD1-ND2 2.98Å
17H87.8Confident82Confident29 Ų2978.3 Ų78.313%0.13440%0.404CS..  trans-64136.1168.6-178.8-94.1000110L5 K19 M20 T21 L105 N112L5-H17 HydrophobicContact CD1-CB 4.14Å; H17-K19 VanDerWaalsContact C-N 3.3Å; H17-K19 PolarHBondContact ND1-N 3.31Å; H17-K19 PolarHBondContact O-N 3.29Å; H17-K19 VanDerWaalsContact O-N 3.12Å; H17-M20 HydrophobicContact CB-CB 4.36Å; H17-M20 HydrophobicContact CB-CG 4.23Å; H17-M20 WeakPolarHBondContact O-CA 3.26Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.36Å; H17-M20 PolarHBondContact O-N 3.37Å; H17-T21 PolarHBondContact O-N 2.94Å; H17-T21 VanDerWaalsContact O-N 3.09Å; H17-T21 PolarHBondContact O-OG1 3.12Å; H17-L105 WeakPolarHBondContact CE1-CD1 3.26Å; H17-N112 PolarHBondContact N-ND2 2.89Å
18P91.1Very high83.7Confident83 Ų8379.6 Ų79.654%0.53941%0.412SS..Hα-helixtrans-51-42.7-174.7-31.835.9000114.9M20 T21 E22P18-M20 VanDerWaalsContact C-N 3.29Å; P18-M20 PolarHBondContact O-N 3.45Å; P18-T21 WeakPolarHBondContact O-CB 3.33Å; P18-T21 PolarHBondContact O-N 2.84Å; P18-T21 VanDerWaalsContact O-N 3.16Å; P18-E22 PolarHBondContact O-N 3.46Å
19K92.9Very high85.5Confident100 Ų10076.1 Ų76.144%0.43540%0.399SS..Hα-helixtrans-69.1-21.5175.5-63-164.3-173.9-177.60114.4H17 L23 L105 M109H17-K19 VanDerWaalsContact C-N 3.3Å; H17-K19 PolarHBondContact ND1-N 3.31Å; H17-K19 PolarHBondContact O-N 3.29Å; H17-K19 VanDerWaalsContact O-N 3.12Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 2.83Å; K19-L105 HydrophobicContact CD-CD1 4.11Å; K19-L105 HydrophobicContact CD-CD2 4Å; K19-M109 HydrophobicContact CB-CE 4.07Å; K19-M109 HydrophobicContact CB-SD 3.8Å; K19-M109 HydrophobicContact CD-SD 4.47Å
20M94.6Very high87.3Confident0 Ų067.6 Ų67.60%036%0.36CS..Hα-helixtrans-75.6-39.3169.6-73.8-65.9-60.900110.7H17 P18 L23 Y24 L47 L51 M109 N112 W113H17-M20 HydrophobicContact CB-CB 4.36Å; H17-M20 HydrophobicContact CB-CG 4.23Å; H17-M20 WeakPolarHBondContact O-CA 3.26Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.36Å; H17-M20 PolarHBondContact O-N 3.37Å; P18-M20 VanDerWaalsContact C-N 3.29Å; P18-M20 PolarHBondContact O-N 3.45Å; M20-L23 HydrophobicContact CE-CD2 4.4Å; M20-L23 PolarHBondContact O-N 3.4Å; M20-L23 HydrophobicContact SD-CD2 3.89Å; M20-Y24 HydrophobicContact CE-CD2 4.41Å; M20-Y24 HydrophobicContact CE-CE2 3.74Å; M20-Y24 WeakPolarHBondContact O-CB 3.49Å; M20-Y24 WeakPolarHBondContact O-CD2 3.26Å; M20-Y24 PolarHBondContact O-N 3.49Å; M20-L47 HydrophobicContact CE-CD1 4.09Å; M20-L51 HydrophobicContact SD-CD2 4.21Å; M20-M109 HydrophobicContact CG-CB 3.99Å; M20-M109 HydrophobicContact CG-CE 4.05Å; M20-M109 HydrophobicContact CG-CG 3.94Å; M20-M109 HydrophobicContact SD-CB 3.83Å; M20-M109 HydrophobicContact SD-CE 3.54Å; M20-M109 VanDerWaalsContact SD-CE 3.54Å; M20-M109 HydrophobicContact SD-CG 4.22Å; M20-N112 WeakPolarHBondContact CB-ND2 3.36Å; M20-N112 HydrophobicContact CG-CB 4.38Å; M20-N112 WeakPolarHBondContact CG-ND2 3.07Å; M20-W113 HydrophobicContact CE-CB 3.86Å
21T93.4Very high88.5Confident49 Ų4967.7 Ų67.730%0.30136%0.357SS..Hα-helixtrans-60.9-49172.7-48.40000111.3D16 H17 P18 L23 Y24 Q25D16-T21 WeakPolarHBondContact CB-OG1 3.27Å; H17-T21 PolarHBondContact O-N 2.94Å; H17-T21 VanDerWaalsContact O-N 3.09Å; H17-T21 PolarHBondContact O-OG1 3.12Å; P18-T21 WeakPolarHBondContact O-CB 3.33Å; P18-T21 PolarHBondContact O-N 2.84Å; P18-T21 VanDerWaalsContact O-N 3.16Å; T21-L23 PolarHBondContact O-N 2.74Å; T21-Y24 PolarHBondContact O-N 3.37Å; T21-Q25 WeakPolarHBondContact O-CB 3.4Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.33Å; T21-Q25 PolarHBondContact O-N 3.41Å
22E94.9Very high89.6Confident123 Ų12365.3 Ų65.358%0.57535%0.35SS*.Hα-helixtrans-56.4-47173.1-176.6-169.6176.900111.7P18 Q25 S26P18-E22 PolarHBondContact O-N 3.46Å; E22-Q25 PolarHBondContact O-N 3.22Å; E22-S26 PolarHBondContact O-N 2.93Å
23L96Very high90.4Very high16 Ų1661.7 Ų61.78%0.08433%0.327CS..Hα-helixtrans-59.5-50.8176.7176.363.6000111.5K19 M20 T21 Q25 S26 L27 R46 L47 A50 M109K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 2.83Å; M20-L23 HydrophobicContact CE-CD2 4.4Å; M20-L23 PolarHBondContact O-N 3.4Å; M20-L23 HydrophobicContact SD-CD2 3.89Å; T21-L23 PolarHBondContact O-N 2.74Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 3.38Å; L23-S26 CarbonylContact O-C 3.59Å; L23-S26 WeakPolarHBondContact O-CB 3.49Å; L23-S26 PolarHBondContact O-N 3.19Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.48Å; L23-L27 HydrophobicContact CD1-CD2 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-L27 VanDerWaalsContact O-N 3.1Å; L23-R46 HydrophobicContact CD1-CG 4.01Å; L23-L47 HydrophobicContact CD2-CD1 3.65Å; L23-A50 HydrophobicContact CD1-CB 3.89Å; L23-A50 HydrophobicContact CD2-CB 3.63Å; L23-A50 HydrophobicContact CG-CB 4.4Å; L23-M109 HydrophobicContact CD2-CE 4.12Å
24Y94.6Very high91Very high49 Ų4965.3 Ų65.319%0.19233%0.331CS..Hα-helixtrans-60.8-39.4177.3-81.4-63.4000112.4M20 T21 L27 L180M20-Y24 HydrophobicContact CE-CD2 4.41Å; M20-Y24 HydrophobicContact CE-CE2 3.74Å; M20-Y24 WeakPolarHBondContact O-CB 3.49Å; M20-Y24 WeakPolarHBondContact O-CD2 3.26Å; M20-Y24 PolarHBondContact O-N 3.49Å; T21-Y24 PolarHBondContact O-N 3.37Å; Y24-L27 HydrophobicContact CD1-CD1 3.99Å; Y24-L27 WeakPolarHBondContact O-CB 3.44Å; Y24-L27 PolarHBondContact O-N 3.02Å; Y24-L180 HydrophobicContact CE1-CD2 4.18Å
25Q94.4Very high91.5Very high134 Ų13463.4 Ų63.463%0.62632%0.317SS*.Hα-helixtrans-60.3-45.2172.6-73.3169.3-5.800111T21 E22 L23 L27 A28T21-Q25 WeakPolarHBondContact O-CB 3.4Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.33Å; T21-Q25 PolarHBondContact O-N 3.41Å; E22-Q25 PolarHBondContact O-N 3.22Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 3.38Å; Q25-L27 PolarHBondContact O-N 3.23Å; Q25-L27 VanDerWaalsContact O-N 3.15Å; Q25-A28 WeakPolarHBondContact O-CB 3.49Å; Q25-A28 PolarHBondContact O-N 3.43Å
26S96.2Very high92Very high35 Ų3558.5 Ų58.525%0.24530%0.3CS..Hα-helixtrans-64.4-15.6174.585.30000113.8E22 L23 A28 R46E22-S26 PolarHBondContact O-N 2.93Å; L23-S26 CarbonylContact O-C 3.59Å; L23-S26 WeakPolarHBondContact O-CB 3.49Å; L23-S26 PolarHBondContact O-N 3.19Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.48Å; S26-A28 PolarHBondContact O-N 3.08Å; S26-R46 PolarHBondContact O-NH1 2.98Å; S26-R46 WeakPolarHBondContact OG-CD 3.31Å
27L94.8Very high92.3Very high6 Ų656.9 Ų56.93%0.03129%0.292CS..THydrogen-bonded Turntrans-73.5-15.5173.1-57.9-167.3000112.2L23 Y24 Q25 D29 L30 K43 R46 L180L23-L27 HydrophobicContact CD1-CD2 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-L27 VanDerWaalsContact O-N 3.1Å; Y24-L27 HydrophobicContact CD1-CD1 3.99Å; Y24-L27 WeakPolarHBondContact O-CB 3.44Å; Y24-L27 PolarHBondContact O-N 3.02Å; Q25-L27 PolarHBondContact O-N 3.23Å; Q25-L27 VanDerWaalsContact O-N 3.15Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 2.96Å; L27-K43 HydrophobicContact CB-CD 4.34Å; L27-K43 HydrophobicContact CB-CG 4.06Å; L27-K43 HydrophobicContact CD1-CB 4.15Å; L27-K43 HydrophobicContact CD1-CG 4.38Å; L27-K43 HydrophobicContact CD2-CB 4.43Å; L27-K43 HydrophobicContact CD2-CG 4.49Å; L27-K43 VanDerWaalsContact O-CE 3.24Å; L27-K43 WeakPolarHBondContact O-CE 3.36Å; L27-R46 HydrophobicContact CD2-CB 4.03Å; L27-R46 HydrophobicContact CD2-CG 4.06Å; L27-L180 HydrophobicContact CD1-CD2 3.61Å
28A91.3Very high92.6Very high54 Ų5455.5 Ų55.545%0.44629%0.285SS..G310 helixtrans-66.6-31.7176.800000112.9Q25 S26 L30 N31Q25-A28 WeakPolarHBondContact O-CB 3.49Å; Q25-A28 PolarHBondContact O-N 3.43Å; S26-A28 PolarHBondContact O-N 3.08Å; A28-L30 PolarHBondContact O-N 3.48Å; A28-N31 VanDerWaalsContact O-CB 3.25Å; A28-N31 WeakPolarHBondContact O-CB 3.29Å; A28-N31 PolarHBondContact O-N 3.4Å; A28-N31 PolarHBondContact O-ND2 3.03Å
29D92.3Very high92.8Very high95 Ų9553.6 Ų53.651%0.50827%0.267SS..G310 helixtrans-49-35174.3-60.7-17.6000112.5L27 N31 N32 R46L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.29Å; D29-N31 VanDerWaalsContact C-N 3.32Å; D29-N32 VanDerWaalsContact O-CG 3.26Å; D29-N32 PolarHBondContact O-ND2 3.45Å; D29-N32 PolarHBondContact O-OD1 3.01Å; D29-R46 IonicContact OD2-CZ 4Å; D29-R46 IonicContact OD2-NH1 3.13Å; D29-R46 PolarHBondContact OD2-NH1 2.85Å; D29-R46 IonicContact OD2-NH2 3.91Å
30L93.8Very high93Very high20 Ų2048.8 Ų48.811%0.10525%0.247CC..G310 helixtrans-83.9-5.6-173.8-60173.4000112.9L27 A28 N32 V33 R39 M42 K43L27-L30 PolarHBondContact O-N 2.96Å; A28-L30 PolarHBondContact O-N 3.48Å; L30-N32 PolarHBondContact O-N 3.32Å; L30-N32 VanDerWaalsContact O-N 3.14Å; L30-V33 WeakPolarHBondContact O-CB 3.31Å; L30-V33 WeakPolarHBondContact O-CG2 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å; L30-R39 WeakPolarHBondContact O-CD 3.41Å; L30-R39 WeakPolarHBondContact O-CG 3.43Å; L30-M42 HydrophobicContact CD1-CB 3.91Å; L30-M42 HydrophobicContact CD2-CB 4.24Å; L30-M42 HydrophobicContact CD2-CE 3.78Å; L30-K43 HydrophobicContact CB-CG 4.17Å; L30-K43 HydrophobicContact CD1-CB 4.36Å; L30-K43 HydrophobicContact CD1-CG 3.76Å
31N91.9Very high93.2Very high94 Ų9448.8 Ų48.850%0.50325%0.247SC..G310 helixtrans-63.3-18.6177.3-68.7-20.6000112.9A28 D29 V33 K43A28-N31 VanDerWaalsContact O-CB 3.25Å; A28-N31 WeakPolarHBondContact O-CB 3.29Å; A28-N31 PolarHBondContact O-N 3.4Å; A28-N31 PolarHBondContact O-ND2 3.03Å; D29-N31 VanDerWaalsContact C-N 3.32Å; N31-V33 PolarHBondContact O-N 3.39Å; N31-K43 WeakPolarHBondContact OD1-CE 3.41Å; N31-K43 PolarHBondContact OD1-NZ 3.42Å
32N88.4Confident93.3Very high118 Ų11848.2 Ų48.263%0.63124%0.241SC*.G310 helixtrans-71.1-12.2171.765.425.1000114.5D29 L30 R34D29-N32 VanDerWaalsContact O-CG 3.26Å; D29-N32 PolarHBondContact O-ND2 3.45Å; D29-N32 PolarHBondContact O-OD1 3.01Å; L30-N32 PolarHBondContact O-N 3.32Å; L30-N32 VanDerWaalsContact O-N 3.14Å; N32-R34 PolarHBondContact O-N 3.35Å
33V91.3Very high93.5Very high4 Ų443 Ų432%0.02422%0.216CC..  trans-75.2110.1178176.40000109L30 N31 F35 R39 M42 F274L30-V33 WeakPolarHBondContact O-CB 3.31Å; L30-V33 WeakPolarHBondContact O-CG2 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å; N31-V33 PolarHBondContact O-N 3.39Å; V33-F35 VanDerWaalsContact C-N 3.31Å; V33-F35 PolarHBondContact O-N 2.91Å; V33-R39 HydrophobicContact CB-CB 3.88Å; V33-R39 HydrophobicContact CB-CG 4.3Å; V33-R39 HydrophobicContact CG1-CB 3.92Å; V33-R39 PolarHBondContact O-NH1 3.33Å; V33-M42 HydrophobicContact CG2-SD 4.01Å; V33-F274 HydrophobicContact CG1-CB 4.11Å; V33-F274 HydrophobicContact CG1-CD2 4.15Å; V33-F274 HydrophobicContact CG1-CG 4.03Å; V33-F274 HydrophobicContact CG2-CB 4.45Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å
34R87.9Confident93.6Very high164 Ų16442.2 Ų42.262%0.61921%0.212SC*.SBendtrans-63-32.4-172.1-173.8176-177.7158.95.4114.1N32 F274N32-R34 PolarHBondContact O-N 3.35Å; R34-F274 VanDerWaalsContact CB-O 3.24Å; R34-F274 WeakPolarHBondContact CB-O 3.29Å; R34-F274 PolarHBondContact N-O 3.48Å
35F88.2Confident93.8Very high10 Ų1041.1 Ų41.14%0.04421%0.208CC..SBendtrans-94114.9-177.1-57.9-66.8000110.4V33 A37 Y38 R39 F273 F274 L327V33-F35 VanDerWaalsContact C-N 3.31Å; V33-F35 PolarHBondContact O-N 2.91Å; F35-A37 PolarHBondContact O-N 3.13Å; F35-Y38 HydrophobicContact CB-CD2 3.7Å; F35-Y38 HydrophobicContact CB-CE2 4.49Å; F35-Y38 HydrophobicContact CG-CD2 4.44Å; F35-Y38 PolarHBondContact O-N 3.47Å; F35-R39 PolarHBondContact O-N 3.39Å; F35-F273 HydrophobicContact CD2-CD1 4.18Å; F35-F273 AromaticContact CD2-CE1 3.7Å; F35-F273 HydrophobicContact CD2-CE1 3.7Å; F35-F273 HydrophobicContact CD2-CZ 4.02Å; F35-F273 AromaticContact CE2-CD1 3.83Å; F35-F273 HydrophobicContact CE2-CD1 3.83Å; F35-F273 HydrophobicContact CE2-CD2 4.13Å; F35-F273 AromaticContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE1 3.41Å; F35-F273 VanDerWaalsContact CE2-CE1 3.41Å; F35-F273 AromaticContact CE2-CE2 3.73Å; F35-F273 HydrophobicContact CE2-CE2 3.73Å; F35-F273 HydrophobicContact CE2-CG 4.17Å; F35-F273 AromaticContact CE2-CZ 3.35Å; F35-F273 HydrophobicContact CE2-CZ 3.35Å; F35-F273 WeakPolarHBondContact CE2-O 3.47Å; F35-F273 HydrophobicContact CZ-CE1 4.21Å; F35-F273 AromaticContact CZ-CE2 3.89Å; F35-F273 HydrophobicContact CZ-CE2 3.89Å; F35-F273 AromaticContact CZ-CZ 3.69Å; F35-F273 HydrophobicContact CZ-CZ 3.69Å; F35-F274 HydrophobicContact CD2-CD1 4.27Å; F35-L327 HydrophobicContact CD1-CD2 3.96Å; F35-L327 HydrophobicContact CE1-CD2 3.5Å; F35-L327 VanDerWaalsContact CE1-CD2 3.5Å; F35-L327 HydrophobicContact CZ-CD2 4.29Å
36S91.6Very high94Very high11 Ų1139.5 Ų39.58%0.07720%0.196CC..Hα-helixtrans-60.4-39.8-170.5460000114.5Y38 R39 T40 S185S36-Y38 PolarHBondContact O-N 2.92Å; S36-R39 PolarHBondContact O-N 3.34Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.87Å; S36-T40 PolarHBondContact O-OG1 2.96Å; S36-S185 VanDerWaalsContact CB-CB 3.41Å; S36-S185 WeakPolarHBondContact CB-OG 3.47Å; S36-S185 WeakPolarHBondContact OG-CB 3.45Å; S36-S185 PolarHBondContact OG-OG 3.38Å
37A91.3Very high94.1Very high1 Ų137.9 Ų37.91%0.00818%0.184CC..Hα-helixtrans-64.2-40.5177.400000112F35 A41 F186 V225 V229F35-A37 PolarHBondContact O-N 3.13Å; A37-A41 WeakPolarHBondContact O-CB 3.14Å; A37-A41 PolarHBondContact O-N 3.47Å; A37-F186 HydrophobicContact CB-CE1 4.27Å; A37-V225 HydrophobicContact CB-CG1 4.33Å; A37-V225 HydrophobicContact CB-CG2 4.39Å; A37-V229 HydrophobicContact CB-CG2 4.13Å
38Y93.7Very high94.3Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-70-40.8174.1-67.2-84.7000112.1F35 S36 T40 A41 M42 V229 V233 F256 F274 E290 Y326F35-Y38 HydrophobicContact CB-CD2 3.7Å; F35-Y38 HydrophobicContact CB-CE2 4.49Å; F35-Y38 HydrophobicContact CG-CD2 4.44Å; F35-Y38 PolarHBondContact O-N 3.47Å; S36-Y38 PolarHBondContact O-N 2.92Å; Y38-T40 VanDerWaalsContact C-N 3.34Å; Y38-T40 PolarHBondContact O-N 2.97Å; Y38-A41 PolarHBondContact O-N 3.5Å; Y38-M42 WeakPolarHBondContact O-CB 3.23Å; Y38-M42 VanDerWaalsContact O-CG 3.25Å; Y38-M42 WeakPolarHBondContact O-CG 3.33Å; Y38-M42 PolarHBondContact O-N 2.89Å; Y38-V229 HydrophobicContact CD1-CG1 3.49Å; Y38-V229 VanDerWaalsContact CD1-CG1 3.49Å; Y38-V229 HydrophobicContact CD2-CG1 4.44Å; Y38-V229 HydrophobicContact CE1-CG1 3.66Å; Y38-V229 HydrophobicContact CG-CG1 3.9Å; Y38-V233 HydrophobicContact CD1-CG2 4.39Å; Y38-F256 HydrophobicContact CD1-CE2 4.24Å; Y38-F256 HydrophobicContact CD1-CZ 4.16Å; Y38-F256 HydrophobicContact CE1-CE1 4.15Å; Y38-F256 HydrophobicContact CE1-CE2 4.25Å; Y38-F256 AromaticContact CE1-CZ 3.8Å; Y38-F256 HydrophobicContact CE1-CZ 3.8Å; Y38-F274 AromaticContact CD1-CE1 3.6Å; Y38-F274 HydrophobicContact CD1-CE1 3.6Å; Y38-F274 AromaticContact CD1-CZ 3.43Å; Y38-F274 HydrophobicContact CD1-CZ 3.43Å; Y38-F274 VanDerWaalsContact CD1-CZ 3.43Å; Y38-F274 HydrophobicContact CD2-CE1 4.05Å; Y38-F274 HydrophobicContact CE1-CE1 4.16Å; Y38-F274 HydrophobicContact CE1-CZ 4.19Å; Y38-F274 HydrophobicContact CG-CD1 4.45Å; Y38-F274 AromaticContact CG-CE1 3.55Å; Y38-F274 HydrophobicContact CG-CE1 3.55Å; Y38-F274 AromaticContact CG-CZ 3.71Å; Y38-F274 HydrophobicContact CG-CZ 3.71Å; Y38-E290 VanDerWaalsContact CE1-OE2 3.3Å; Y38-E290 WeakPolarHBondContact CE1-OE2 3.37Å; Y38-E290 VanDerWaalsContact OH-CD 3.28Å; Y38-E290 PolarHBondContact OH-OE1 3.39Å; Y38-E290 PolarHBondContact OH-OE2 3.33Å; Y38-Y326 HydrophobicContact CD2-CD2 4.28Å; Y38-Y326 HydrophobicContact CD2-CG 4.31Å; Y38-Y326 AromaticContact CE2-CD1 3.76Å; Y38-Y326 HydrophobicContact CE2-CD1 3.76Å; Y38-Y326 AromaticContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CD2 3.48Å; Y38-Y326 VanDerWaalsContact CE2-CD2 3.48Å; Y38-Y326 AromaticContact CE2-CE1 3.98Å; Y38-Y326 HydrophobicContact CE2-CE1 3.98Å; Y38-Y326 AromaticContact CE2-CE2 3.71Å; Y38-Y326 HydrophobicContact CE2-CE2 3.71Å; Y38-Y326 AromaticContact CE2-CG 3.46Å; Y38-Y326 HydrophobicContact CE2-CG 3.46Å; Y38-Y326 VanDerWaalsContact CE2-CG 3.46Å; Y38-Y326 AromaticContact CE2-CZ 3.93Å; Y38-Y326 AromaticContact CZ-CD1 3.98Å; Y38-Y326 AromaticContact CZ-CE1 3.95Å; Y38-Y326 WeakPolarHBondContact OH-CD1 3.25Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.37Å
39R95.9Very high94.6Very high42 Ų4239.6 Ų39.616%0.15818%0.182CC..Hα-helixtrans-56-51.1175.2-179.4170.462.5-119.55.5110.9L30 V33 F35 S36 M42 K43 E182L30-R39 WeakPolarHBondContact O-CD 3.41Å; L30-R39 WeakPolarHBondContact O-CG 3.43Å; V33-R39 HydrophobicContact CB-CB 3.88Å; V33-R39 HydrophobicContact CB-CG 4.3Å; V33-R39 HydrophobicContact CG1-CB 3.92Å; V33-R39 PolarHBondContact O-NH1 3.33Å; F35-R39 PolarHBondContact O-N 3.39Å; S36-R39 PolarHBondContact O-N 3.34Å; R39-M42 PolarHBondContact O-N 2.65Å; R39-K43 HydrophobicContact CG-CD 4.41Å; R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 VanDerWaalsContact O-CG 3.32Å; R39-K43 WeakPolarHBondContact O-CG 3.46Å; R39-K43 PolarHBondContact O-N 3.1Å; R39-E182 WeakPolarHBondContact CD-OE1 3.38Å; R39-E182 WeakPolarHBondContact CG-OE1 3.45Å; R39-E182 IonicContact CZ-OE1 3.91Å; R39-E182 IonicContact CZ-OE2 3.4Å; R39-E182 VanDerWaalsContact CZ-OE2 3.29Å; R39-E182 VanDerWaalsContact NE-CD 3.3Å; R39-E182 IonicContact NE-OE1 2.68Å; R39-E182 PolarHBondContact NE-OE1 3.18Å; R39-E182 IonicContact NE-OE2 3.64Å; R39-E182 PolarHBondContact NE-OE2 3.29Å; R39-E182 IonicContact NH2-OE1 3.54Å; R39-E182 IonicContact NH2-OE2 3.22Å; R39-E182 PolarHBondContact NH2-OE2 3.22Å
40T97.6Very high94.8Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-63.8-44.6178.3-51.50000111.3S36 Y38 M42 K43 L44 P177 L180 E182 F186 W226S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.87Å; S36-T40 PolarHBondContact O-OG1 2.96Å; Y38-T40 VanDerWaalsContact C-N 3.34Å; Y38-T40 PolarHBondContact O-N 2.97Å; T40-M42 PolarHBondContact O-N 3.02Å; T40-K43 WeakPolarHBondContact O-CB 3.48Å; T40-K43 PolarHBondContact O-N 3.02Å; T40-L44 HydrophobicContact CG2-CD1 4.15Å; T40-L44 HydrophobicContact CG2-CG 4.48Å; T40-L44 WeakPolarHBondContact O-CB 3.48Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.38Å; T40-L44 PolarHBondContact O-N 3.16Å; T40-P177 HydrophobicContact CG2-CB 3.97Å; T40-L180 HydrophobicContact CG2-CD1 3.98Å; T40-E182 HydrophobicContact CG2-CB 4.29Å; T40-E182 HydrophobicContact CG2-CG 4.36Å; T40-E182 WeakPolarHBondContact OG1-CB 3.48Å; T40-E182 WeakPolarHBondContact OG1-CG 3.44Å; T40-F186 HydrophobicContact CG2-CE2 3.79Å; T40-F186 HydrophobicContact CG2-CZ 3.84Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.28Å; T40-F186 VanDerWaalsContact OG1-CZ 3.29Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.44Å; T40-W226 HydrophobicContact CG2-CB 4.18Å
41A97.2Very high95Very high0 Ų035.8 Ų35.80%017%0.167CC..Hα-helixtrans-62.4-38.7176.200000113.3A37 Y38 R45 V229 L230 V233A37-A41 WeakPolarHBondContact O-CB 3.14Å; A37-A41 PolarHBondContact O-N 3.47Å; Y38-A41 PolarHBondContact O-N 3.5Å; A41-R45 VanDerWaalsContact O-CB 3.29Å; A41-R45 WeakPolarHBondContact O-CB 3.2Å; A41-R45 PolarHBondContact O-N 3.29Å; A41-V229 HydrophobicContact CB-CB 4.05Å; A41-V229 HydrophobicContact CB-CG1 3.61Å; A41-L230 HydrophobicContact CB-CB 4.24Å; A41-L230 WeakPolarHBondContact O-CD1 3.37Å; A41-V233 HydrophobicContact CB-CG2 3.83Å
42M96.8Very high95.3Very high37 Ų3732 Ų3218%0.18215%0.147CC..Hα-helixtrans-69.8-39.8174.8-71.2177.876.500111.7L30 V33 Y38 R39 T40 R45 R46 V233 F274L30-M42 HydrophobicContact CD1-CB 3.91Å; L30-M42 HydrophobicContact CD2-CB 4.24Å; L30-M42 HydrophobicContact CD2-CE 3.78Å; V33-M42 HydrophobicContact CG2-SD 4.01Å; Y38-M42 WeakPolarHBondContact O-CB 3.23Å; Y38-M42 VanDerWaalsContact O-CG 3.25Å; Y38-M42 WeakPolarHBondContact O-CG 3.33Å; Y38-M42 PolarHBondContact O-N 2.89Å; R39-M42 PolarHBondContact O-N 2.65Å; T40-M42 PolarHBondContact O-N 3.02Å; M42-R45 PolarHBondContact O-N 3.07Å; M42-R46 PolarHBondContact O-N 3.15Å; M42-V233 HydrophobicContact CG-CG1 4.08Å; M42-V233 HydrophobicContact CG-CG2 4.18Å; M42-F274 HydrophobicContact CE-CE2 4.48Å; M42-F274 HydrophobicContact SD-CD2 3.82Å; M42-F274 HydrophobicContact SD-CE2 3.48Å; M42-F274 WeakPolarHBondContact SD-CE2 3.35Å
43K98.3Very high95.8Very high13 Ų1326.4 Ų26.46%0.05712%0.117CC..Hα-helixtrans-58.8-49.7171.9-76.3-179.9175176.10110.8L27 L30 N31 R39 T40 R45 R46 L47 L180 E182L27-K43 HydrophobicContact CB-CD 4.34Å; L27-K43 HydrophobicContact CB-CG 4.06Å; L27-K43 HydrophobicContact CD1-CB 4.15Å; L27-K43 HydrophobicContact CD1-CG 4.38Å; L27-K43 HydrophobicContact CD2-CB 4.43Å; L27-K43 HydrophobicContact CD2-CG 4.49Å; L27-K43 VanDerWaalsContact O-CE 3.24Å; L27-K43 WeakPolarHBondContact O-CE 3.36Å; L30-K43 HydrophobicContact CB-CG 4.17Å; L30-K43 HydrophobicContact CD1-CB 4.36Å; L30-K43 HydrophobicContact CD1-CG 3.76Å; N31-K43 WeakPolarHBondContact OD1-CE 3.41Å; N31-K43 PolarHBondContact OD1-NZ 3.42Å; R39-K43 HydrophobicContact CG-CD 4.41Å; R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 VanDerWaalsContact O-CG 3.32Å; R39-K43 WeakPolarHBondContact O-CG 3.46Å; R39-K43 PolarHBondContact O-N 3.1Å; T40-K43 WeakPolarHBondContact O-CB 3.48Å; T40-K43 PolarHBondContact O-N 3.02Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 3.42Å; K43-R46 PolarHBondContact O-N 3.45Å; K43-L47 WeakPolarHBondContact O-CB 3.48Å; K43-L47 PolarHBondContact O-N 3.28Å; K43-L180 HydrophobicContact CB-CD1 3.82Å; K43-L180 HydrophobicContact CB-CD2 4.46Å; K43-E182 IonicContact NZ-OE1 3.26Å; K43-E182 PolarHBondContact NZ-OE1 3.14Å
44L98.6Very high96.1Very high0 Ų027.9 Ų27.90%013%0.125CC..Hα-helixtrans-63.3-34.8175.2-69.8174.3000112.6T40 L47 Q48 L138 I176 L180 W226 L230T40-L44 HydrophobicContact CG2-CD1 4.15Å; T40-L44 HydrophobicContact CG2-CG 4.48Å; T40-L44 WeakPolarHBondContact O-CB 3.48Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.38Å; T40-L44 PolarHBondContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD2 4.16Å; L44-L47 PolarHBondContact O-N 3.25Å; L44-Q48 WeakPolarHBondContact O-CB 3.25Å; L44-Q48 PolarHBondContact O-N 3Å; L44-L138 HydrophobicContact CD2-CD2 4.49Å; L44-I176 HydrophobicContact CD1-CG2 4.11Å; L44-I176 HydrophobicContact CD2-CG2 3.58Å; L44-L180 HydrophobicContact CD2-CD1 3.59Å; L44-L180 HydrophobicContact CD2-CG 4.49Å; L44-L180 HydrophobicContact CG-CD1 3.66Å; L44-W226 HydrophobicContact CD1-CD2 4.25Å; L44-W226 HydrophobicContact CD1-CE3 3.41Å; L44-W226 VanDerWaalsContact CD1-CE3 3.41Å; L44-W226 HydrophobicContact CD1-CZ3 3.93Å; L44-L230 HydrophobicContact CB-CD1 4.14Å; L44-L230 HydrophobicContact CB-CD2 4.24Å
45R98.2Very high96.6Very high26 Ų2621.7 Ų21.710%0.09810%0.104CC..Hα-helixtrans-68.3-40.3176.6-175.561.7175.9145.93.3112.3A41 M42 K43 Q48 K49 D54 L230 V233 E237A41-R45 VanDerWaalsContact O-CB 3.29Å; A41-R45 WeakPolarHBondContact O-CB 3.2Å; A41-R45 PolarHBondContact O-N 3.29Å; M42-R45 PolarHBondContact O-N 3.07Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 3.42Å; R45-Q48 VanDerWaalsContact CD-OE1 3.28Å; R45-K49 VanDerWaalsContact CZ-CE 3.46Å; R45-K49 PolarHBondContact O-N 2.68Å; R45-D54 IonicContact CZ-OD2 2.7Å; R45-D54 VanDerWaalsContact NH1-CG 3.29Å; R45-D54 IonicContact NH1-OD2 3.74Å; R45-D54 PolarHBondContact NH1-OD2 3.46Å; R45-D54 IonicContact NH2-OD2 3.98Å; R45-D54 PolarHBondContact NH2-OD2 3Å; R45-L230 HydrophobicContact CB-CD1 3.82Å; R45-V233 HydrophobicContact CB-CG1 4.02Å; R45-V233 HydrophobicContact CG-CG1 4.03Å; R45-E237 VanDerWaalsContact CG-OE1 3.27Å; R45-E237 WeakPolarHBondContact CG-OE1 3.25Å; R45-E237 IonicContact CZ-OE2 3.65Å; R45-E237 VanDerWaalsContact CZ-OE2 3.26Å; R45-E237 VanDerWaalsContact NE-CD 3.34Å; R45-E237 IonicContact NE-OE1 2.75Å; R45-E237 PolarHBondContact NE-OE1 3.38Å; R45-E237 IonicContact NE-OE2 3.73Å; R45-E237 PolarHBondContact NE-OE2 2.94Å; R45-E237 IonicContact NH2-OE2 2.94Å; R45-E237 PolarHBondContact NH2-OE2 3.34Å
46R98.3Very high97.1Very high99 Ų9921.2 Ų21.237%0.37410%0.102SC..Hα-helixtrans-65-42.9174.4-175.4174-93.6-172.9-8.2110.7L23 S26 L27 D29 M42 K43 A50L23-R46 HydrophobicContact CD1-CG 4.01Å; S26-R46 PolarHBondContact O-NH1 2.98Å; S26-R46 WeakPolarHBondContact OG-CD 3.31Å; L27-R46 HydrophobicContact CD2-CB 4.03Å; L27-R46 HydrophobicContact CD2-CG 4.06Å; D29-R46 IonicContact OD2-CZ 4Å; D29-R46 IonicContact OD2-NH1 3.13Å; D29-R46 PolarHBondContact OD2-NH1 2.85Å; D29-R46 IonicContact OD2-NH2 3.91Å; M42-R46 PolarHBondContact O-N 3.15Å; K43-R46 PolarHBondContact O-N 3.45Å; R46-A50 PolarHBondContact O-N 3.28Å; R46-A50 VanDerWaalsContact O-N 3.16Å
47L98.4Very high97.4Very high1 Ų122.1 Ų22.11%0.00511%0.108CC..Hα-helixtrans-62.2-49.4172.6174.267.8000112.9M20 L23 K43 L44 K49 A50 L51 W113 L138M20-L47 HydrophobicContact CE-CD1 4.09Å; L23-L47 HydrophobicContact CD2-CD1 3.65Å; K43-L47 WeakPolarHBondContact O-CB 3.48Å; K43-L47 PolarHBondContact O-N 3.28Å; L44-L47 HydrophobicContact CD2-CD2 4.16Å; L44-L47 PolarHBondContact O-N 3.25Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-A50 PolarHBondContact O-N 2.98Å; L47-L51 HydrophobicContact CD1-CD1 3.78Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 4.09Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.4Å; L47-W113 HydrophobicContact CD1-CG 4.42Å; L47-W113 HydrophobicContact CD2-CG 4.39Å; L47-L138 HydrophobicContact CD2-CD1 4.33Å
48Q98.6Very high97.7Very high9 Ų923.8 Ų23.84%0.04212%0.117CC..Hα-helixtrans-54.3-43.3-178.6-176.8-169.631.100111.7L44 R45 L51 C52 L53 D54 L138L44-Q48 WeakPolarHBondContact O-CB 3.25Å; L44-Q48 PolarHBondContact O-N 3Å; R45-Q48 VanDerWaalsContact CD-OE1 3.28Å; Q48-L51 CarbonylContact O-C 3.49Å; Q48-L51 PolarHBondContact O-N 3.25Å; Q48-C52 PolarHBondContact O-N 2.93Å; Q48-C52 VanDerWaalsContact O-N 3.13Å; Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.23Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; Q48-L138 HydrophobicContact CG-CB 4.37Å; Q48-L138 WeakPolarHBondContact CG-O 3.23Å; Q48-L138 PolarHBondContact NE2-O 3.04Å
49K97.9Very high97.9Very high87 Ų8727.3 Ų27.338%0.37814%0.141SC..Hα-helixtrans-67.1-44.4174.5-78.9176.3170168.90113R45 L47 L51 C52 D54 E237R45-K49 VanDerWaalsContact CZ-CE 3.46Å; R45-K49 PolarHBondContact O-N 2.68Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-L51 PolarHBondContact O-N 3.06Å; K49-C52 PolarHBondContact O-N 2.96Å; K49-D54 WeakPolarHBondContact CG-OD2 3.44Å; K49-E237 IonicContact NZ-OE1 3.34Å; K49-E237 PolarHBondContact NZ-OE1 2.97Å; K49-E237 IonicContact NZ-OE2 2.69Å; K49-E237 PolarHBondContact NZ-OE2 3.49Å
50A97.9Very high98Very high36 Ų3625.5 Ų25.530%0.29814%0.135SC..Hα-helixtrans-64.8-24.5177.900000113.1L23 R46 L47 M109L23-A50 HydrophobicContact CD1-CB 3.89Å; L23-A50 HydrophobicContact CD2-CB 3.63Å; L23-A50 HydrophobicContact CG-CB 4.4Å; R46-A50 PolarHBondContact O-N 3.28Å; R46-A50 VanDerWaalsContact O-N 3.16Å; L47-A50 PolarHBondContact O-N 2.98Å; A50-M109 HydrophobicContact CB-CE 4.37Å
51L98.1Very high98Very high0 Ų025.5 Ų25.50%014%0.135CC..THydrogen-bonded Turntrans-95.14.3171.4-59-175.6000113.5M20 L47 Q48 K49 L53 Y90 M109 C110 W113M20-L51 HydrophobicContact SD-CD2 4.21Å; L47-L51 HydrophobicContact CD1-CD1 3.78Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 4.09Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.4Å; Q48-L51 CarbonylContact O-C 3.49Å; Q48-L51 PolarHBondContact O-N 3.25Å; K49-L51 PolarHBondContact O-N 3.06Å; L51-L53 HydrophobicContact CB-CD1 4.04Å; L51-L53 HydrophobicContact CB-CG 3.88Å; L51-L53 HydrophobicContact CD1-CD1 4.1Å; L51-L53 PolarHBondContact O-N 3.19Å; L51-Y90 VanDerWaalsContact O-CE1 3.25Å; L51-Y90 WeakPolarHBondContact O-CE1 3.37Å; L51-Y90 PolarHBondContact O-OH 3.34Å; L51-M109 HydrophobicContact CD2-CB 3.58Å; L51-C110 HydrophobicContact CD2-CB 4.18Å; L51-W113 HydrophobicContact CD1-CB 3.94Å; L51-W113 HydrophobicContact CD1-CD2 3.81Å; L51-W113 HydrophobicContact CD1-CE3 3.68Å; L51-W113 HydrophobicContact CD1-CG 3.91Å
52C98.3Very high98.1Very high15 Ų1526.9 Ų26.910%0.10115%0.145CC..THydrogen-bonded Turntrans52.218.7-174.8-55.20000115.3Q48 K49 D54 L55 Y90 V101Q48-C52 PolarHBondContact O-N 2.93Å; Q48-C52 VanDerWaalsContact O-N 3.13Å; K49-C52 PolarHBondContact O-N 2.96Å; C52-D54 VanDerWaalsContact C-N 3.26Å; C52-D54 PolarHBondContact O-N 2.98Å; C52-L55 HydrophobicContact CB-CD1 4.2Å; C52-L55 VanDerWaalsContact O-CB 3.29Å; C52-L55 WeakPolarHBondContact O-CB 3.36Å; C52-L55 PolarHBondContact O-N 2.86Å; C52-Y90 HydrophobicContact CB-CE1 4.29Å; C52-V101 HydrophobicContact CB-CG2 4.47Å
53L98.5Very high98.1Very high0 Ų027.8 Ų27.80%015%0.15CC..G310 helixtrans-73.8-17.5-175.7-66.2177000112.4Q48 L51 L55 L56 W113 I135 L138 C139 K140Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.23Å; L51-L53 HydrophobicContact CB-CD1 4.04Å; L51-L53 HydrophobicContact CB-CG 3.88Å; L51-L53 HydrophobicContact CD1-CD1 4.1Å; L51-L53 PolarHBondContact O-N 3.19Å; L53-L55 PolarHBondContact O-N 3.27Å; L53-L56 HydrophobicContact CD2-CD2 3.96Å; L53-L56 WeakPolarHBondContact O-CB 3.36Å; L53-L56 PolarHBondContact O-N 3.49Å; L53-W113 HydrophobicContact CD1-CZ3 4.2Å; L53-I135 HydrophobicContact CD1-CD1 4.47Å; L53-I135 HydrophobicContact CD2-CD1 4.26Å; L53-L138 CarbonylContact C-O 3.6Å; L53-L138 HydrophobicContact CB-CB 4.08Å; L53-L138 WeakPolarHBondContact CB-O 3.33Å; L53-L138 HydrophobicContact CD1-CB 3.72Å; L53-L138 HydrophobicContact CD1-CD1 4.1Å; L53-C139 CarbonylContact O-C 3.48Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.41Å; L53-K140 PolarHBondContact O-N 3.36Å
54D97.6Very high98.1Very high34 Ų3427.3 Ų27.318%0.18215%0.149CC..G310 helixtrans-74.5-0166.866.2-32.4000114.2R45 Q48 K49 C52 K140R45-D54 IonicContact CZ-OD2 2.7Å; R45-D54 VanDerWaalsContact NH1-CG 3.29Å; R45-D54 IonicContact NH1-OD2 3.74Å; R45-D54 PolarHBondContact NH1-OD2 3.46Å; R45-D54 IonicContact NH2-OD2 3.98Å; R45-D54 PolarHBondContact NH2-OD2 3Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; K49-D54 WeakPolarHBondContact CG-OD2 3.44Å; C52-D54 VanDerWaalsContact C-N 3.26Å; C52-D54 PolarHBondContact O-N 2.98Å; D54-K140 WeakPolarHBondContact O-CB 3.33Å; D54-K140 WeakPolarHBondContact O-CD 3.37Å
55L97.7Very high98.1Very high34 Ų3427.5 Ų27.518%0.17815%0.15CC..G310 helixtrans-94.6-15.1163.8-52.8-177.4000112.6C52 L53 S57 L93 H97 L100 V101 K140C52-L55 HydrophobicContact CB-CD1 4.2Å; C52-L55 VanDerWaalsContact O-CB 3.29Å; C52-L55 WeakPolarHBondContact O-CB 3.36Å; C52-L55 PolarHBondContact O-N 2.86Å; L53-L55 PolarHBondContact O-N 3.27Å; L55-S57 PolarHBondContact O-N 2.96Å; L55-L93 HydrophobicContact CB-CD2 4.01Å; L55-L93 VanDerWaalsContact O-CD2 3.31Å; L55-L93 WeakPolarHBondContact O-CD2 3.29Å; L55-H97 HydrophobicContact CD1-CB 4.22Å; L55-L100 HydrophobicContact CD1-CB 4.44Å; L55-V101 HydrophobicContact CD1-CG2 4.12Å; L55-K140 WeakPolarHBondContact O-CD 3.47Å; L55-K140 WeakPolarHBondContact O-CE 3.41Å; L55-K140 PolarHBondContact O-NZ 3.44Å
56L98.4Very high98Very high1 Ų130.3 Ų30.31%0.00517%0.167CC..  trans-81.4116.6-175.1-176.254.6000113.3L53 A60 A61 I89 L93 I135 C139 K140L53-L56 HydrophobicContact CD2-CD2 3.96Å; L53-L56 WeakPolarHBondContact O-CB 3.36Å; L53-L56 PolarHBondContact O-N 3.49Å; L56-A60 HydrophobicContact CD1-CB 3.96Å; L56-A61 HydrophobicContact CD1-CB 4.16Å; L56-A61 HydrophobicContact CD2-CB 4.02Å; L56-A61 HydrophobicContact CG-CB 4.06Å; L56-I89 HydrophobicContact CD1-CG2 3.93Å; L56-I89 HydrophobicContact CD2-CG2 3.92Å; L56-L93 HydrophobicContact CB-CD1 4.21Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; L56-I135 HydrophobicContact CD2-CG2 3.56Å; L56-C139 HydrophobicContact CB-CB 4.27Å; L56-C139 HydrophobicContact CD2-CB 4.45Å; L56-C139 HydrophobicContact CG-CB 4.24Å; L56-C139 WeakPolarHBondContact O-CB 3.49Å; L56-K140 WeakPolarHBondContact O-CG 3.45Å; L56-K140 PolarHBondContact O-N 3.42Å
57S98.3Very high98Very high30 Ų3031.6 Ų31.621%0.2118%0.177CC..  trans-76.2155.5171.2750000112.2L55 S59 A60 A61L55-S57 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact C-N 3.29Å; S57-S59 PolarHBondContact O-N 2.85Å; S57-A60 PolarHBondContact O-N 3.01Å; S57-A60 VanDerWaalsContact OG-CB 3.29Å; S57-A60 WeakPolarHBondContact OG-CB 3.49Å; S57-A60 PolarHBondContact OG-N 3.15Å; S57-A61 PolarHBondContact O-N 2.99Å
58L98.1Very high98Very high35 Ų3534.4 Ų34.418%0.18319%0.19CC..Hα-helixtrans-61.8-38173.7177.161.1000111.5A61 C62 I136 A141 D145 Y149L58-A61 PolarHBondContact O-N 2.86Å; L58-C62 WeakPolarHBondContact O-CB 3.32Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.02Å; L58-I136 HydrophobicContact CD1-CD1 3.75Å; L58-I136 HydrophobicContact CD1-CG1 4.48Å; L58-I136 HydrophobicContact CD1-CG2 4.11Å; L58-A141 HydrophobicContact CB-CB 3.58Å; L58-D145 HydrophobicContact CD2-CB 3.87Å; L58-Y149 HydrophobicContact CD1-CD2 3.83Å; L58-Y149 HydrophobicContact CD1-CE2 4.42Å; L58-Y149 HydrophobicContact CD1-CG 4.01Å
59S97.9Very high97.9Very high74 Ų7439.3 Ų39.352%0.51722%0.217SC..Hα-helixtrans-60.2-53.2175.4-161.50000110.7S57 A61 C62 D63S57-S59 VanDerWaalsContact C-N 3.29Å; S57-S59 PolarHBondContact O-N 2.85Å; S59-A61 VanDerWaalsContact C-N 3.27Å; S59-A61 PolarHBondContact O-N 3.23Å; S59-C62 CarbonylContact O-C 3.55Å; S59-C62 WeakPolarHBondContact O-CB 3.41Å; S59-C62 PolarHBondContact O-N 3Å; S59-D63 PolarHBondContact O-N 3.11Å
60A97.8Very high97.7Very high4 Ų435.8 Ų35.83%0.03320%0.202CC..Hα-helixtrans-61.3-34.6-178.900000113L56 S57 A64L56-A60 HydrophobicContact CD1-CB 3.96Å; S57-A60 PolarHBondContact O-N 3.01Å; S57-A60 VanDerWaalsContact OG-CB 3.29Å; S57-A60 WeakPolarHBondContact OG-CB 3.49Å; S57-A60 PolarHBondContact OG-N 3.15Å; A60-A64 PolarHBondContact O-N 3.01Å
61A98.2Very high97.4Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-66.7-45.2172.200000112.2L56 S57 L58 S59 A64 L65 I135 I136L56-A61 HydrophobicContact CD1-CB 4.16Å; L56-A61 HydrophobicContact CD2-CB 4.02Å; L56-A61 HydrophobicContact CG-CB 4.06Å; S57-A61 PolarHBondContact O-N 2.99Å; L58-A61 PolarHBondContact O-N 2.86Å; S59-A61 VanDerWaalsContact C-N 3.27Å; S59-A61 PolarHBondContact O-N 3.23Å; A61-A64 PolarHBondContact O-N 3.03Å; A61-L65 WeakPolarHBondContact O-CB 3.35Å; A61-L65 WeakPolarHBondContact O-CD1 3.11Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 3.48Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; A61-I136 HydrophobicContact CB-CD1 3.5Å
62C98.1Very high97.2Very high30 Ų3045.4 Ų45.420%0.20324%0.239CC..Hα-helixtrans-60.3-46.9174.1-69.70000111.8L58 S59 A64 L65 D66 Y149L58-C62 WeakPolarHBondContact O-CB 3.32Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.02Å; S59-C62 CarbonylContact O-C 3.55Å; S59-C62 WeakPolarHBondContact O-CB 3.41Å; S59-C62 PolarHBondContact O-N 3Å; C62-A64 VanDerWaalsContact C-N 3.3Å; C62-A64 PolarHBondContact O-N 3.3Å; C62-L65 PolarHBondContact O-N 2.86Å; C62-L65 VanDerWaalsContact O-N 3.12Å; C62-D66 PolarHBondContact O-N 2.98Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.45Å
63D97.9Very high97.1Very high55 Ų5545.7 Ų45.729%0.29424%0.24SC..Hα-helixtrans-55.6-45.8-179.4-58.2-26.9000110.7S59 Q67 R92S59-D63 PolarHBondContact O-N 3.11Å; D63-Q67 WeakPolarHBondContact O-CB 3.47Å; D63-Q67 WeakPolarHBondContact O-CG 3.5Å; D63-Q67 PolarHBondContact O-N 3.45Å; D63-R92 IonicContact OD2-CZ 2.82Å; D63-R92 IonicContact OD2-NH1 2.72Å; D63-R92 PolarHBondContact OD2-NH1 3.37Å; D63-R92 IonicContact OD2-NH2 2.66Å
64A97.9Very high96.9Very high3 Ų351 Ų513%0.02527%0.268CS..Hα-helixtrans-67.8-43.4175.900000112.8A60 A61 C62 D66 Q67 H68 T88 I89A60-A64 PolarHBondContact O-N 3.01Å; A61-A64 PolarHBondContact O-N 3.03Å; C62-A64 VanDerWaalsContact C-N 3.3Å; C62-A64 PolarHBondContact O-N 3.3Å; A64-D66 VanDerWaalsContact C-N 3.31Å; A64-D66 PolarHBondContact O-N 3.07Å; A64-Q67 PolarHBondContact O-N 3.14Å; A64-H68 PolarHBondContact O-CD2 3.41Å; A64-H68 VanDerWaalsContact O-CD2 3.3Å; A64-H68 PolarHBondContact O-N 2.94Å; A64-T88 HydrophobicContact CB-CG2 4.05Å; A64-I89 HydrophobicContact CB-CD1 4.31Å; A64-I89 HydrophobicContact CB-CG1 3.62Å
65L98Very high96.8Very high4 Ų455 Ų552%0.02129%0.286CS..Hα-helixtrans-61.1-38.4177.7-72.3164000112.3A61 C62 N69 L70 F131 K132 Y149A61-L65 WeakPolarHBondContact O-CB 3.35Å; A61-L65 WeakPolarHBondContact O-CD1 3.11Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 3.48Å; C62-L65 PolarHBondContact O-N 2.86Å; C62-L65 VanDerWaalsContact O-N 3.12Å; L65-N69 PolarHBondContact O-N 3.1Å; L65-L70 HydrophobicContact CD2-CB 4.17Å; L65-L70 HydrophobicContact CD2-CD1 3.82Å; L65-L70 WeakPolarHBondContact O-CB 3.4Å; L65-L70 PolarHBondContact O-N 3.1Å; L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.64Å; L65-K132 HydrophobicContact CD1-CG 4.02Å; L65-K132 HydrophobicContact CD2-CG 3.87Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.46Å
66D97.1Very high96.7Very high85 Ų8557.1 Ų57.146%0.45530%0.301SS..Hα-helixtrans-74.9-37.6177.2-88.3-52.1000112.6C62 A64 N69 K71C62-D66 PolarHBondContact O-N 2.98Å; A64-D66 VanDerWaalsContact C-N 3.31Å; A64-D66 PolarHBondContact O-N 3.07Å; D66-N69 PolarHBondContact O-N 3.45Å; D66-K71 WeakPolarHBondContact OD1-CE 3.49Å; D66-K71 IonicContact OD1-NZ 2.75Å
67Q97.9Very high96.6Very high126 Ų12657.1 Ų57.159%0.58930%0.301SS*.Hα-helixtrans-59.8-43.5172.6-77.1170.516.500112.1D63 A64 N69D63-Q67 WeakPolarHBondContact O-CB 3.47Å; D63-Q67 WeakPolarHBondContact O-CG 3.5Å; D63-Q67 PolarHBondContact O-N 3.45Å; A64-Q67 PolarHBondContact O-N 3.14Å; Q67-N69 PolarHBondContact O-N 2.93Å; Q67-N69 PolarHBondContact O-ND2 3.13Å
68H97.6Very high96.6Very high60 Ų6058.5 Ų58.528%0.27831%0.306SS..THydrogen-bonded Turntrans-80.97.7175.1-71.5-77.8000113.7A64 L70 N84 C85 T88A64-H68 PolarHBondContact O-CD2 3.41Å; A64-H68 VanDerWaalsContact O-CD2 3.3Å; A64-H68 PolarHBondContact O-N 2.94Å; H68-L70 HydrophobicContact CB-CD1 3.79Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.81Å; H68-L70 PolarHBondContact O-N 3.41Å; H68-N84 PolarHBondContact CE1-O 3.5Å; H68-N84 PolarHBondContact NE2-O 2.94Å; H68-C85 HydrophobicContact CB-CB 4.43Å; H68-T88 PolarHBondContact NE2-OG1 3.02Å
69N96.4Very high96.5Very high113 Ų11358.4 Ų58.460%0.60431%0.306SS*.THydrogen-bonded Turntrans56.129.4177.3-70.8-79.4000115.2L65 D66 Q67 K71L65-N69 PolarHBondContact O-N 3.1Å; D66-N69 PolarHBondContact O-N 3.45Å; Q67-N69 PolarHBondContact O-N 2.93Å; Q67-N69 PolarHBondContact O-ND2 3.13Å; N69-K71 PolarHBondContact O-N 2.86Å; N69-K71 PolarHBondContact OD1-NZ 3.3Å
70L94.6Very high96.5Very high12 Ų1259.9 Ų59.96%0.06331%0.307CS..  trans-78.961.8-173.8-58.3172.3000111.5L65 H68 M77 C85 V128 F131 K132L65-L70 HydrophobicContact CD2-CB 4.17Å; L65-L70 HydrophobicContact CD2-CD1 3.82Å; L65-L70 WeakPolarHBondContact O-CB 3.4Å; L65-L70 PolarHBondContact O-N 3.1Å; H68-L70 HydrophobicContact CB-CD1 3.79Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.81Å; H68-L70 PolarHBondContact O-N 3.41Å; L70-M77 HydrophobicContact CD1-CE 3.36Å; L70-M77 HydrophobicContact CD1-SD 4.09Å; L70-M77 HydrophobicContact CD2-CE 3.76Å; L70-M77 HydrophobicContact CD2-CG 4.39Å; L70-M77 HydrophobicContact CD2-SD 3.93Å; L70-M77 HydrophobicContact CG-CE 4.22Å; L70-C85 HydrophobicContact CD1-CB 4.07Å; L70-V128 HydrophobicContact CB-CG1 4.04Å; L70-V128 HydrophobicContact CD2-CG2 4.29Å; L70-F131 HydrophobicContact CD1-CD1 4.42Å; L70-F131 HydrophobicContact CD1-CE1 4.23Å; L70-K132 WeakPolarHBondContact O-CE 3.32Å; L70-K132 PolarHBondContact O-NZ 3.18Å
71K90.7Very high96.5Very high113 Ų11363.7 Ų63.749%0.49132%0.324SS..  trans-99.4-32.8-170.6-70.2165.3-179158.30113.3D66 N69 N73D66-K71 WeakPolarHBondContact OD1-CE 3.49Å; D66-K71 IonicContact OD1-NZ 2.75Å; N69-K71 PolarHBondContact O-N 2.86Å; N69-K71 PolarHBondContact OD1-NZ 3.3Å; K71-N73 PolarHBondContact O-N 3.02Å
72Q93.9Very high96.5Very high125 Ų12563.7 Ų63.758%0.58432%0.324SS*.  trans-86.8101.1179.7-63.5-64.4-4.700110.6D74 Q75 V128Q72-D74 VanDerWaalsContact C-N 3.34Å; Q72-D74 PolarHBondContact O-N 3.25Å; Q72-Q75 HydrophobicContact CB-CB 4.25Å; Q72-Q75 HydrophobicContact CB-CG 3.72Å; Q72-Q75 PolarHBondContact O-N 3.06Å; Q72-V128 WeakPolarHBondContact O-CB 3.4Å
73N96.3Very high96.6Very high22 Ų2264.6 Ų64.612%0.11833%0.327CS..THydrogen-bonded Turntrans-69-26.7-167.7-72.9-27000114.8K71 L129 K132 Q153K71-N73 PolarHBondContact O-N 3.02Å; N73-L129 HydrophobicContact CB-CB 4.14Å; N73-L129 HydrophobicContact CB-CD1 4.43Å; N73-L129 WeakPolarHBondContact O-CB 3.5Å; N73-L129 PolarHBondContact O-N 3.11Å; N73-K132 PolarHBondContact OD1-NZ 3.39Å; N73-Q153 WeakPolarHBondContact ND2-CA 3.32Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.44Å; N73-Q153 PolarHBondContact ND2-O 2.74Å; N73-Q153 PolarHBondContact ND2-OE1 2.96Å
74D94.3Very high96.6Very high111 Ų11165.3 Ų65.359%0.59433%0.33SS*.THydrogen-bonded Turntrans-84.2-10.8178-61.5-51.4000113.6Q72Q72-D74 VanDerWaalsContact C-N 3.34Å; Q72-D74 PolarHBondContact O-N 3.25Å
75Q95.4Very high96.6Very high118 Ų11865.1 Ų65.155%0.55133%0.329SS*.SBendtrans-70.5143.6179.3-75.4-176.7-17.400111.7Q72 R127 V128Q72-Q75 HydrophobicContact CB-CB 4.25Å; Q72-Q75 HydrophobicContact CB-CG 3.72Å; Q72-Q75 PolarHBondContact O-N 3.06Å; Q75-R127 WeakPolarHBondContact O-CA 3.32Å; Q75-V128 PolarHBondContact O-N 3.15Å
76P96.1Very high96.6Very high79 Ų7965 Ų6551%0.51333%0.328SS..EExtended strand (participates in β ladder)trans-72.6144.616931.8-34000110.7R125 I126P76-R125 HydrophobicContact CB-CB 4.34Å; P76-I126 CarbonylContact C-O 3.56Å; P76-I126 WeakPolarHBondContact CA-O 3.37Å
77M97.1Very high96.7Very high1 Ų163 Ų631%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-123.1121-179.8-172.2179.3179.900107.4L70 Q81 I82 C85 R125 I126 V128 F131L70-M77 HydrophobicContact CD1-CE 3.36Å; L70-M77 HydrophobicContact CD1-SD 4.09Å; L70-M77 HydrophobicContact CD2-CE 3.76Å; L70-M77 HydrophobicContact CD2-CG 4.39Å; L70-M77 HydrophobicContact CD2-SD 3.93Å; L70-M77 HydrophobicContact CG-CE 4.22Å; M77-Q81 HydrophobicContact CE-CB 4.08Å; M77-Q81 WeakPolarHBondContact CE-O 3.29Å; M77-Q81 HydrophobicContact CG-CB 3.66Å; M77-I82 HydrophobicContact CE-CG1 4.29Å; M77-I82 HydrophobicContact CG-CG1 4.05Å; M77-I82 HydrophobicContact SD-CG1 4.23Å; M77-C85 HydrophobicContact CE-CB 3.95Å; M77-R125 WeakPolarHBondContact O-CA 3.48Å; M77-I126 WeakPolarHBondContact CB-O 3.45Å; M77-I126 PolarHBondContact N-O 3.39Å; M77-I126 PolarHBondContact O-N 3.08Å; M77-V128 HydrophobicContact CB-CG2 4.1Å; M77-V128 HydrophobicContact SD-CG2 4.38Å; M77-F131 HydrophobicContact CE-CD1 4.15Å; M77-F131 HydrophobicContact CE-CE1 4.16Å; M77-F131 HydrophobicContact CE-CG 4.37Å; M77-F131 HydrophobicContact CE-CZ 4.39Å; M77-F131 HydrophobicContact SD-CB 4.04Å; M77-F131 HydrophobicContact SD-CD1 3.98Å; M77-F131 HydrophobicContact SD-CD2 4.39Å; M77-F131 HydrophobicContact SD-CG 3.88Å
78D97.3Very high96.8Very high58 Ų5858.8 Ų58.831%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-83.8168.5-177.375.535.7000113.5L80 Q81 I82 G124 R125D78-L80 PolarHBondContact O-N 3.36Å; D78-L80 WeakPolarHBondContact OD1-CA 3.43Å; D78-L80 WeakPolarHBondContact OD1-CB 3.48Å; D78-L80 PolarHBondContact OD1-N 3.41Å; D78-Q81 PolarHBondContact O-N 3.48Å; D78-Q81 VanDerWaalsContact O-N 3.12Å; D78-Q81 PolarHBondContact OD1-N 2.9Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.38Å; D78-I82 PolarHBondContact O-N 3.19Å; D78-G124 WeakPolarHBondContact CA-O 2.73Å; D78-R125 HydrophobicContact CB-CG 4.2Å
79I97Very high96.8Very high34 Ų3456.1 Ų56.117%0.17429%0.29CS..Hα-helixtrans-51.6-38.3179.4-70.3169.7000113I82 I83 L111 L115 G124I79-I82 PolarHBondContact O-N 2.86Å; I79-I83 HydrophobicContact CG2-CD1 3.74Å; I79-I83 HydrophobicContact CG2-CG1 4.36Å; I79-I83 WeakPolarHBondContact O-CB 3.49Å; I79-I83 VanDerWaalsContact O-CG1 3.24Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.03Å; I79-L111 HydrophobicContact CG2-CD1 4.45Å; I79-L111 HydrophobicContact CG2-CD2 4.06Å; I79-L115 HydrophobicContact CD1-CD1 4.33Å; I79-L115 HydrophobicContact CG1-CD1 4.32Å; I79-L115 HydrophobicContact CG1-CD2 4.39Å; I79-G124 PolarHBondContact N-O 3.26Å
80L97.3Very high96.9Very high105 Ų10550.7 Ų50.755%0.5526%0.261SS..Hα-helixtrans-72.8-39.9-178.8179.960.2000110.9D78 I82 I83 N84D78-L80 PolarHBondContact O-N 3.36Å; D78-L80 WeakPolarHBondContact OD1-CA 3.43Å; D78-L80 WeakPolarHBondContact OD1-CB 3.48Å; D78-L80 PolarHBondContact OD1-N 3.41Å; L80-I82 VanDerWaalsContact C-N 3.33Å; L80-I82 PolarHBondContact O-N 3.46Å; L80-I83 PolarHBondContact O-N 3.02Å; L80-N84 WeakPolarHBondContact O-CB 3.23Å; L80-N84 PolarHBondContact O-N 3.16Å; L80-N84 PolarHBondContact O-ND2 2.84Å; L80-N84 PolarHBondContact O-OD1 3.04Å
81Q98Very high97Very high83 Ų8353 Ų5339%0.38827%0.273SS..Hα-helixtrans-62.1-40.6172.2-63.2176.1-6900111.6M77 D78 C85M77-Q81 HydrophobicContact CE-CB 4.08Å; M77-Q81 WeakPolarHBondContact CE-O 3.29Å; M77-Q81 HydrophobicContact CG-CB 3.66Å; D78-Q81 PolarHBondContact O-N 3.48Å; D78-Q81 VanDerWaalsContact O-N 3.12Å; D78-Q81 PolarHBondContact OD1-N 2.9Å; Q81-C85 WeakPolarHBondContact O-CB 3.42Å; Q81-C85 PolarHBondContact O-N 3.49Å
82I98.5Very high97.3Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-62.9-49.4175.7-60.3162.5000110.2M77 D78 I79 L80 N84 C85 L86 L111 L114 L115 I126 F131M77-I82 HydrophobicContact CE-CG1 4.29Å; M77-I82 HydrophobicContact CG-CG1 4.05Å; M77-I82 HydrophobicContact SD-CG1 4.23Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.38Å; D78-I82 PolarHBondContact O-N 3.19Å; I79-I82 PolarHBondContact O-N 2.86Å; L80-I82 VanDerWaalsContact C-N 3.33Å; L80-I82 PolarHBondContact O-N 3.46Å; I82-N84 PolarHBondContact O-N 3.45Å; I82-C85 PolarHBondContact O-N 2.81Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.2Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 VanDerWaalsContact O-CG 3.25Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 2.98Å; I82-L111 HydrophobicContact CB-CD1 4.01Å; I82-L111 HydrophobicContact CD1-CD1 4.21Å; I82-L111 HydrophobicContact CG2-CD1 3.55Å; I82-L114 HydrophobicContact CG2-CD1 4.06Å; I82-L115 HydrophobicContact CD1-CD2 4.43Å; I82-I126 HydrophobicContact CD1-CD1 3.73Å; I82-I126 HydrophobicContact CD1-CG1 3.8Å; I82-I126 HydrophobicContact CG1-CD1 4.18Å; I82-I126 HydrophobicContact CG1-CG1 4.36Å; I82-F131 HydrophobicContact CG2-CD2 4.31Å; I82-F131 HydrophobicContact CG2-CE2 3.99Å
83I98.4Very high97.5Very high49 Ų4945.5 Ų45.525%0.25124%0.237SC..Hα-helixtrans-55.3-53.5176.2-73167.5000110.3I79 L80 C85 L86 T87 V107 L111I79-I83 HydrophobicContact CG2-CD1 3.74Å; I79-I83 HydrophobicContact CG2-CG1 4.36Å; I79-I83 WeakPolarHBondContact O-CB 3.49Å; I79-I83 VanDerWaalsContact O-CG1 3.24Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.03Å; L80-I83 PolarHBondContact O-N 3.02Å; I83-C85 VanDerWaalsContact C-N 3.32Å; I83-C85 PolarHBondContact O-N 3.42Å; I83-L86 PolarHBondContact O-N 2.97Å; I83-L86 VanDerWaalsContact O-N 3.12Å; I83-T87 WeakPolarHBondContact O-CB 3.4Å; I83-T87 PolarHBondContact O-N 3.32Å; I83-T87 PolarHBondContact O-OG1 3.24Å; I83-V107 HydrophobicContact CG1-CG1 4.37Å; I83-V107 HydrophobicContact CG2-CG1 4.22Å; I83-L111 HydrophobicContact CD1-CD2 3.97Å; I83-L111 HydrophobicContact CG1-CD2 3.74Å
84N98.4Very high97.5Very high70 Ų7048.4 Ų48.437%0.37425%0.25SC..Hα-helixtrans-59.2-42.1-176.2-68.2-12.5000112.2H68 L80 I82 T88H68-N84 PolarHBondContact CE1-O 3.5Å; H68-N84 PolarHBondContact NE2-O 2.94Å; L80-N84 WeakPolarHBondContact O-CB 3.23Å; L80-N84 PolarHBondContact O-N 3.16Å; L80-N84 PolarHBondContact O-ND2 2.84Å; L80-N84 PolarHBondContact O-OD1 3.04Å; I82-N84 PolarHBondContact O-N 3.45Å; N84-T88 PolarHBondContact O-N 3.34Å; N84-T88 PolarHBondContact O-OG1 2.93Å
85C98.7Very high97.5Very high0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-70.6-36.4177.2-1690000112.9H68 L70 M77 Q81 I82 I83 I89 F131H68-C85 HydrophobicContact CB-CB 4.43Å; L70-C85 HydrophobicContact CD1-CB 4.07Å; M77-C85 HydrophobicContact CE-CB 3.95Å; Q81-C85 WeakPolarHBondContact O-CB 3.42Å; Q81-C85 PolarHBondContact O-N 3.49Å; I82-C85 PolarHBondContact O-N 2.81Å; I83-C85 VanDerWaalsContact C-N 3.32Å; I83-C85 PolarHBondContact O-N 3.42Å; C85-I89 WeakPolarHBondContact O-CG1 3.39Å; C85-I89 PolarHBondContact O-N 2.95Å; C85-F131 HydrophobicContact CB-CE1 4.25Å; C85-F131 HydrophobicContact CB-CZ 4.03Å
86L98.8Very high97.5Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-68.2-40.7174.6-71.2176.5000111.8I82 I83 I89 Y90 V107 C110 L111 L114 F131 I135I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.2Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 VanDerWaalsContact O-CG 3.25Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 2.98Å; I83-L86 PolarHBondContact O-N 2.97Å; I83-L86 VanDerWaalsContact O-N 3.12Å; L86-I89 WeakPolarHBondContact O-CB 3.26Å; L86-I89 PolarHBondContact O-N 3.3Å; L86-I89 VanDerWaalsContact O-N 3.15Å; L86-Y90 HydrophobicContact CB-CD2 4.29Å; L86-Y90 HydrophobicContact CB-CE2 4.34Å; L86-Y90 HydrophobicContact CD2-CE2 4.15Å; L86-Y90 WeakPolarHBondContact O-CD2 3.31Å; L86-Y90 PolarHBondContact O-N 3.44Å; L86-V107 HydrophobicContact CB-CB 4.48Å; L86-V107 HydrophobicContact CB-CG1 4.19Å; L86-V107 HydrophobicContact CB-CG2 4.08Å; L86-C110 HydrophobicContact CD1-CB 4.13Å; L86-C110 HydrophobicContact CD2-CB 4.22Å; L86-L111 HydrophobicContact CD1-CB 3.98Å; L86-L114 HydrophobicContact CD1-CD1 4.21Å; L86-L114 HydrophobicContact CD2-CD1 4.3Å; L86-F131 HydrophobicContact CD2-CE2 4.07Å; L86-F131 HydrophobicContact CD2-CZ 4.22Å; L86-F131 HydrophobicContact CG-CE2 4.25Å; L86-F131 HydrophobicContact CG-CZ 4.48Å; L86-I135 HydrophobicContact CD2-CD1 3.92Å
87T98.6Very high97.3Very high44 Ų4447.2 Ų47.227%0.2723%0.234SC..Hα-helixtrans-59-50.5176.2-60.20000110.2I83 I89 Y90 D91 V103I83-T87 WeakPolarHBondContact O-CB 3.4Å; I83-T87 PolarHBondContact O-N 3.32Å; I83-T87 PolarHBondContact O-OG1 3.24Å; T87-I89 VanDerWaalsContact C-N 3.25Å; T87-I89 PolarHBondContact O-N 3.37Å; T87-Y90 PolarHBondContact O-N 2.85Å; T87-D91 WeakPolarHBondContact CG2-OD2 3.46Å; T87-D91 WeakPolarHBondContact O-CB 3.5Å; T87-D91 PolarHBondContact O-N 2.98Å; T87-V103 HydrophobicContact CG2-CG1 4.42Å
88T98.6Very high96.7Very high38 Ų3852.9 Ų52.923%0.23326%0.264CS..Hα-helixtrans-57.5-34.8174.6-58.90000113.6A64 H68 N84A64-T88 HydrophobicContact CB-CG2 4.05Å; H68-T88 PolarHBondContact NE2-OG1 3.02Å; N84-T88 PolarHBondContact O-N 3.34Å; N84-T88 PolarHBondContact O-OG1 2.93Å
89I98.6Very high96.2Very high3 Ų357.9 Ų57.92%0.01529%0.291CS..Hα-helixtrans-67.4-49173.6-75.5167.7000110.8L56 A64 C85 L86 T87 L93 I135L56-I89 HydrophobicContact CD1-CG2 3.93Å; L56-I89 HydrophobicContact CD2-CG2 3.92Å; A64-I89 HydrophobicContact CB-CD1 4.31Å; A64-I89 HydrophobicContact CB-CG1 3.62Å; C85-I89 WeakPolarHBondContact O-CG1 3.39Å; C85-I89 PolarHBondContact O-N 2.95Å; L86-I89 WeakPolarHBondContact O-CB 3.26Å; L86-I89 PolarHBondContact O-N 3.3Å; L86-I89 VanDerWaalsContact O-N 3.15Å; T87-I89 VanDerWaalsContact C-N 3.25Å; T87-I89 PolarHBondContact O-N 3.37Å; I89-L93 HydrophobicContact CG2-CD1 4.06Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 3.33Å; I89-L93 VanDerWaalsContact O-N 3.16Å; I89-I135 HydrophobicContact CD1-CG2 4.41Å
90Y98.5Very high95.8Very high0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-79.2-33.2-172.8-72.3-60.8000113.9L51 C52 L86 T87 R92 L93 E94 V101 C106 V107 C110L51-Y90 VanDerWaalsContact O-CE1 3.25Å; L51-Y90 WeakPolarHBondContact O-CE1 3.37Å; L51-Y90 PolarHBondContact O-OH 3.34Å; C52-Y90 HydrophobicContact CB-CE1 4.29Å; L86-Y90 HydrophobicContact CB-CD2 4.29Å; L86-Y90 HydrophobicContact CB-CE2 4.34Å; L86-Y90 HydrophobicContact CD2-CE2 4.15Å; L86-Y90 WeakPolarHBondContact O-CD2 3.31Å; L86-Y90 PolarHBondContact O-N 3.44Å; T87-Y90 PolarHBondContact O-N 2.85Å; Y90-R92 VanDerWaalsContact C-N 3.26Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-L93 HydrophobicContact CD1-CD1 3.94Å; Y90-L93 HydrophobicContact CE1-CD1 4.14Å; Y90-L93 CarbonylContact O-C 3.58Å; Y90-L93 PolarHBondContact O-N 3.09Å; Y90-L93 VanDerWaalsContact O-N 3.12Å; Y90-E94 PolarHBondContact O-N 2.9Å; Y90-V101 HydrophobicContact CD1-CG1 4.09Å; Y90-C106 HydrophobicContact CD1-CB 3.58Å; Y90-C106 HydrophobicContact CD2-CB 3.86Å; Y90-C106 HydrophobicContact CE1-CB 3.65Å; Y90-C106 HydrophobicContact CE2-CB 3.91Å; Y90-C106 WeakPolarHBondContact CE2-O 3.5Å; Y90-C106 HydrophobicContact CG-CB 3.71Å; Y90-V107 HydrophobicContact CD2-CG2 3.78Å; Y90-C110 HydrophobicContact CE2-CB 3.91Å; Y90-C110 WeakPolarHBondContact OH-CB 3.36Å; Y90-C110 PolarHBondContact OH-SG 3.3Å; Y90-C110 VanDerWaalsContact OH-SG 3.41Å
91D97.6Very high95.7Very high60 Ų6057.5 Ų57.532%0.32129%0.289SS..Hα-helixtrans-54.1-45.6170.2-69.7-27.4000110.7T87 E94 Q95T87-D91 WeakPolarHBondContact CG2-OD2 3.46Å; T87-D91 WeakPolarHBondContact O-CB 3.5Å; T87-D91 PolarHBondContact O-N 2.98Å; D91-E94 PolarHBondContact O-N 3.21Å; D91-Q95 VanDerWaalsContact O-CG 3.29Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.38Å; D91-Q95 VanDerWaalsContact O-N 3.11Å; D91-Q95 PolarHBondContact O-NE2 2.84Å
92R96.7Very high95.6Very high80 Ų8057.8 Ų57.830%0.30229%0.293SS..Hα-helixtrans-67.6-39.2177.3179.8173.9175.2169.10.2112D63 Y90 E94 Q95 E96D63-R92 IonicContact OD2-CZ 2.82Å; D63-R92 IonicContact OD2-NH1 2.72Å; D63-R92 PolarHBondContact OD2-NH1 3.37Å; D63-R92 IonicContact OD2-NH2 2.66Å; Y90-R92 VanDerWaalsContact C-N 3.26Å; Y90-R92 PolarHBondContact O-N 2.95Å; R92-E94 VanDerWaalsContact C-N 3.34Å; R92-Q95 PolarHBondContact O-N 3.47Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 2.72Å; R92-E96 IonicContact NE-OE1 3.72Å; R92-E96 PolarHBondContact NE-OE1 3.1Å; R92-E96 IonicContact NH2-OE1 2.71Å; R92-E96 WeakPolarHBondContact O-CG 3.47Å; R92-E96 PolarHBondContact O-N 2.87Å
93L97.3Very high95.5Very high0 Ų058.4 Ų58.40%030%0.297CS..Hα-helixtrans-69.5-31.1176.6-68174.9000112.5L55 L56 I89 Y90 E96 H97 V101L55-L93 HydrophobicContact CB-CD2 4.01Å; L55-L93 VanDerWaalsContact O-CD2 3.31Å; L55-L93 WeakPolarHBondContact O-CD2 3.29Å; L56-L93 HydrophobicContact CB-CD1 4.21Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; I89-L93 HydrophobicContact CG2-CD1 4.06Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 3.33Å; I89-L93 VanDerWaalsContact O-N 3.16Å; Y90-L93 HydrophobicContact CD1-CD1 3.94Å; Y90-L93 HydrophobicContact CE1-CD1 4.14Å; Y90-L93 CarbonylContact O-C 3.58Å; Y90-L93 PolarHBondContact O-N 3.09Å; Y90-L93 VanDerWaalsContact O-N 3.12Å; L93-E96 PolarHBondContact O-N 2.95Å; L93-H97 WeakPolarHBondContact O-CA 3.36Å; L93-H97 VanDerWaalsContact O-CB 3.28Å; L93-H97 WeakPolarHBondContact O-CB 3.31Å; L93-H97 PolarHBondContact O-N 3.4Å; L93-V101 HydrophobicContact CB-CG2 3.94Å
94E96.8Very high95.5Very high84 Ų8460.4 Ų60.439%0.39331%0.313SS..Hα-helixtrans-65.3-43.7171.4-171.1177.4-105.500111Y90 D91 R92 H97 N98 V101 V103Y90-E94 PolarHBondContact O-N 2.9Å; D91-E94 PolarHBondContact O-N 3.21Å; R92-E94 VanDerWaalsContact C-N 3.34Å; E94-H97 CarbonylContact O-C 3.32Å; E94-H97 VanDerWaalsContact O-C 3.32Å; E94-H97 PolarHBondContact O-N 2.9Å; E94-N98 PolarHBondContact O-N 3.26Å; E94-N98 VanDerWaalsContact O-N 3.13Å; E94-N98 PolarHBondContact O-OD1 2.86Å; E94-V101 HydrophobicContact CB-CB 4.2Å; E94-V101 HydrophobicContact CB-CG1 4.36Å; E94-V103 HydrophobicContact CB-CG2 3.9Å; E94-V103 HydrophobicContact CG-CG2 4.42Å
95Q94.8Very high95.4Very high148 Ų14859 Ų5969%0.69231%0.305SS*.Hα-helixtrans-65.2-35.7174.9-67.4165.532.800113.5D91 R92D91-Q95 VanDerWaalsContact O-CG 3.29Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.38Å; D91-Q95 VanDerWaalsContact O-N 3.11Å; D91-Q95 PolarHBondContact O-NE2 2.84Å; R92-Q95 PolarHBondContact O-N 3.47Å
96E94.1Very high95.3Very high84 Ų8459.3 Ų59.339%0.39331%0.308SS..Hα-helixtrans-78-24.4175.1-71.7-179.8-156.200112.2R92 L93R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 2.72Å; R92-E96 IonicContact NE-OE1 3.72Å; R92-E96 PolarHBondContact NE-OE1 3.1Å; R92-E96 IonicContact NH2-OE1 2.71Å; R92-E96 WeakPolarHBondContact O-CG 3.47Å; R92-E96 PolarHBondContact O-N 2.87Å; L93-E96 PolarHBondContact O-N 2.95Å
97H92.5Very high95.3Very high51 Ų5159.6 Ų59.624%0.23631%0.31CS..SBendtrans-144.262.4-168.9-60.4-49.2000114.2L55 L93 E94 N99 L100L55-H97 HydrophobicContact CD1-CB 4.22Å; L93-H97 WeakPolarHBondContact O-CA 3.36Å; L93-H97 VanDerWaalsContact O-CB 3.28Å; L93-H97 WeakPolarHBondContact O-CB 3.31Å; L93-H97 PolarHBondContact O-N 3.4Å; E94-H97 CarbonylContact O-C 3.32Å; E94-H97 VanDerWaalsContact O-C 3.32Å; E94-H97 PolarHBondContact O-N 2.9Å; H97-N99 PolarHBondContact O-N 2.95Å; H97-L100 HydrophobicContact CB-CB 4.31Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 WeakPolarHBondContact O-CB 3.48Å; H97-L100 PolarHBondContact O-N 3.24Å; H97-L100 VanDerWaalsContact O-N 3.07Å
98N84.3Confident95.2Very high119 Ų11959.7 Ų59.764%0.63631%0.308SS*.THydrogen-bonded Turntrans-39.3131.3177.3-62.59.8000113.9E94 L100E94-N98 PolarHBondContact O-N 3.26Å; E94-N98 VanDerWaalsContact O-N 3.13Å; E94-N98 PolarHBondContact O-OD1 2.86Å; N98-L100 PolarHBondContact O-N 2.71Å
99N85.8Confident95.2Very high164 Ų16458.3 Ų58.388%0.87730%0.299SS*.THydrogen-bonded Turntrans65.2-2.2179.8-47.6-66.9000116.9H97H97-N99 PolarHBondContact O-N 2.95Å
100L89.8Confident95.2Very high121 Ų12158.2 Ų58.263%0.63430%0.299SS*.THydrogen-bonded Turntrans-92.5-22.2174.5-64.3-177.3000113.5L55 H97 N98L55-L100 HydrophobicContact CD1-CB 4.44Å; H97-L100 HydrophobicContact CB-CB 4.31Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 WeakPolarHBondContact O-CB 3.48Å; H97-L100 PolarHBondContact O-N 3.24Å; H97-L100 VanDerWaalsContact O-N 3.07Å; N98-L100 PolarHBondContact O-N 2.71Å
101V95.5Very high95.2Very high9 Ų958.2 Ų58.26%0.05530%0.299CS..  trans-111.5140.3-179.4-176.80000108.9C52 L55 Y90 L93 E94 V103C52-V101 HydrophobicContact CB-CG2 4.47Å; L55-V101 HydrophobicContact CD1-CG2 4.12Å; Y90-V101 HydrophobicContact CD1-CG1 4.09Å; L93-V101 HydrophobicContact CB-CG2 3.94Å; E94-V101 HydrophobicContact CB-CB 4.2Å; E94-V101 HydrophobicContact CB-CG1 4.36Å; V101-V103 HydrophobicContact CG1-CG2 4.32Å
102N96Very high95.2Very high89 Ų8955.7 Ų55.748%0.47629%0.285SS..  trans-121.398.8167.9178.5-80.1000106.7L105 C106N102-L105 HydrophobicContact CB-CB 4.22Å; N102-L105 PolarHBondContact O-N 2.85Å; N102-L105 VanDerWaalsContact O-N 3.17Å; N102-L105 WeakPolarHBondContact OD1-CB 3.48Å; N102-L105 PolarHBondContact OD1-N 3.37Å; N102-C106 WeakPolarHBondContact O-CB 3.27Å; N102-C106 PolarHBondContact O-N 3.03Å; N102-C106 PolarHBondContact O-SG 3.3Å
103V96.6Very high95.3Very high13 Ų1352 Ų528%0.07927%0.271CS..Hα-helixtrans-52.4-51-166.4177.90000113.2T87 E94 V101 L105 C106 V107T87-V103 HydrophobicContact CG2-CG1 4.42Å; E94-V103 HydrophobicContact CB-CG2 3.9Å; E94-V103 HydrophobicContact CG-CG2 4.42Å; V101-V103 HydrophobicContact CG1-CG2 4.32Å; V103-L105 PolarHBondContact O-N 3.18Å; V103-C106 PolarHBondContact O-N 3.3Å; V103-V107 HydrophobicContact CG1-CG2 4.15Å; V103-V107 WeakPolarHBondContact O-CB 3.37Å; V103-V107 VanDerWaalsContact O-CG2 3.28Å; V103-V107 WeakPolarHBondContact O-CG2 3.4Å; V103-V107 PolarHBondContact O-N 2.96Å
104P97Very high95.3Very high91 Ų9152 Ų5259%0.59127%0.271SS*.Hα-helixtrans-60.1-43.6-178.8-23.835.2000113D108P104-D108 WeakPolarHBondContact O-CB 3.25Å; P104-D108 PolarHBondContact O-N 2.56Å
105L96Very high95.4Very high40 Ų4048.6 Ų48.621%0.20926%0.256CS..Hα-helixtrans-68-40.9179.1178.762.8000112.2H17 K19 N102 V103 D108 M109H17-L105 WeakPolarHBondContact CE1-CD1 3.26Å; K19-L105 HydrophobicContact CD-CD1 4.11Å; K19-L105 HydrophobicContact CD-CD2 4Å; N102-L105 HydrophobicContact CB-CB 4.22Å; N102-L105 PolarHBondContact O-N 2.85Å; N102-L105 VanDerWaalsContact O-N 3.17Å; N102-L105 WeakPolarHBondContact OD1-CB 3.48Å; N102-L105 PolarHBondContact OD1-N 3.37Å; V103-L105 PolarHBondContact O-N 3.18Å; L105-D108 PolarHBondContact O-N 3.34Å; L105-M109 HydrophobicContact CD1-CG 3.85Å; L105-M109 HydrophobicContact CD1-SD 3.69Å; L105-M109 HydrophobicContact CD2-SD 4.44Å; L105-M109 HydrophobicContact CG-CG 4.34Å; L105-M109 HydrophobicContact CG-SD 3.91Å; L105-M109 WeakPolarHBondContact O-CB 3.19Å; L105-M109 WeakPolarHBondContact O-CG 3.28Å; L105-M109 PolarHBondContact O-N 3.22Å
106C97.9Very high95.5Very high7 Ų742 Ų425%0.04723%0.225CC..Hα-helixtrans-66.7-42.5179.6-680000111.4Y90 N102 V103 C110Y90-C106 HydrophobicContact CD1-CB 3.58Å; Y90-C106 HydrophobicContact CD2-CB 3.86Å; Y90-C106 HydrophobicContact CE1-CB 3.65Å; Y90-C106 HydrophobicContact CE2-CB 3.91Å; Y90-C106 WeakPolarHBondContact CE2-O 3.5Å; Y90-C106 HydrophobicContact CG-CB 3.71Å; N102-C106 WeakPolarHBondContact O-CB 3.27Å; N102-C106 PolarHBondContact O-N 3.03Å; N102-C106 PolarHBondContact O-SG 3.3Å; V103-C106 PolarHBondContact O-N 3.3Å; C106-C110 WeakPolarHBondContact O-CB 3.28Å; C106-C110 PolarHBondContact O-N 3.23Å
107V98.4Very high95.7Very high7 Ų738.1 Ų38.14%0.04221%0.207CC..Hα-helixtrans-58-48.9171.1172.40000110.4I83 L86 Y90 V103 C110 L111I83-V107 HydrophobicContact CG1-CG1 4.37Å; I83-V107 HydrophobicContact CG2-CG1 4.22Å; L86-V107 HydrophobicContact CB-CB 4.48Å; L86-V107 HydrophobicContact CB-CG1 4.19Å; L86-V107 HydrophobicContact CB-CG2 4.08Å; Y90-V107 HydrophobicContact CD2-CG2 3.78Å; V103-V107 HydrophobicContact CG1-CG2 4.15Å; V103-V107 WeakPolarHBondContact O-CB 3.37Å; V103-V107 VanDerWaalsContact O-CG2 3.28Å; V103-V107 WeakPolarHBondContact O-CG2 3.4Å; V103-V107 PolarHBondContact O-N 2.96Å; V107-C110 PolarHBondContact O-N 3.01Å; V107-L111 WeakPolarHBondContact O-CB 3.34Å; V107-L111 PolarHBondContact O-N 3.26Å
108D97.3Very high96Very high45 Ų4537.3 Ų37.324%0.24120%0.202CC..Hα-helixtrans-65-44.9-176.9-91.110.8000114R2 P104 L105 N112R2-D108 IonicContact CZ-OD1 3.95Å; R2-D108 IonicContact CZ-OD2 3.37Å; R2-D108 IonicContact NH1-OD1 3.26Å; R2-D108 IonicContact NH2-OD1 2.7Å; R2-D108 PolarHBondContact NH2-OD1 2.78Å; R2-D108 IonicContact NH2-OD2 2.73Å; R2-D108 PolarHBondContact NH2-OD2 3.1Å; P104-D108 WeakPolarHBondContact O-CB 3.25Å; P104-D108 PolarHBondContact O-N 2.56Å; L105-D108 PolarHBondContact O-N 3.34Å; D108-N112 WeakPolarHBondContact O-CB 3.14Å; D108-N112 PolarHBondContact O-N 2.87Å
109M97.9Very high96.6Very high10 Ų1032 Ų325%0.04917%0.174CC..Hα-helixtrans-69-39.5177.9-69.9-174.661.100111.5K19 M20 L23 A50 L51 L105 N112 W113K19-M109 HydrophobicContact CB-CE 4.07Å; K19-M109 HydrophobicContact CB-SD 3.8Å; K19-M109 HydrophobicContact CD-SD 4.47Å; M20-M109 HydrophobicContact CG-CB 3.99Å; M20-M109 HydrophobicContact CG-CE 4.05Å; M20-M109 HydrophobicContact CG-CG 3.94Å; M20-M109 HydrophobicContact SD-CB 3.83Å; M20-M109 HydrophobicContact SD-CE 3.54Å; M20-M109 VanDerWaalsContact SD-CE 3.54Å; M20-M109 HydrophobicContact SD-CG 4.22Å; L23-M109 HydrophobicContact CD2-CE 4.12Å; A50-M109 HydrophobicContact CB-CE 4.37Å; L51-M109 HydrophobicContact CD2-CB 3.58Å; L105-M109 HydrophobicContact CD1-CG 3.85Å; L105-M109 HydrophobicContact CD1-SD 3.69Å; L105-M109 HydrophobicContact CD2-SD 4.44Å; L105-M109 HydrophobicContact CG-CG 4.34Å; L105-M109 HydrophobicContact CG-SD 3.91Å; L105-M109 WeakPolarHBondContact O-CB 3.19Å; L105-M109 WeakPolarHBondContact O-CG 3.28Å; L105-M109 PolarHBondContact O-N 3.22Å; M109-N112 PolarHBondContact O-N 3.33Å; M109-W113 WeakPolarHBondContact O-CB 3.15Å; M109-W113 PolarHBondContact O-N 2.98Å
110C98.6Very high96.8Very high0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-73.2-39.9-179.2-164.40000111.9L51 L86 Y90 C106 V107 W113 L114L51-C110 HydrophobicContact CD2-CB 4.18Å; L86-C110 HydrophobicContact CD1-CB 4.13Å; L86-C110 HydrophobicContact CD2-CB 4.22Å; Y90-C110 HydrophobicContact CE2-CB 3.91Å; Y90-C110 WeakPolarHBondContact OH-CB 3.36Å; Y90-C110 PolarHBondContact OH-SG 3.3Å; Y90-C110 VanDerWaalsContact OH-SG 3.41Å; C106-C110 WeakPolarHBondContact O-CB 3.28Å; C106-C110 PolarHBondContact O-N 3.23Å; V107-C110 PolarHBondContact O-N 3.01Å; C110-W113 PolarHBondContact O-N 3.09Å; C110-L114 WeakPolarHBondContact O-CB 3.3Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.46Å; C110-L114 PolarHBondContact O-N 3.24Å
111L98.3Very high96.9Very high0 Ų025.5 Ų25.50%016%0.158CC..Hα-helixtrans-58-48.7169.2172.263.9000111I79 I82 I83 L86 V107 W113 L114 L115I79-L111 HydrophobicContact CG2-CD1 4.45Å; I79-L111 HydrophobicContact CG2-CD2 4.06Å; I82-L111 HydrophobicContact CB-CD1 4.01Å; I82-L111 HydrophobicContact CD1-CD1 4.21Å; I82-L111 HydrophobicContact CG2-CD1 3.55Å; I83-L111 HydrophobicContact CD1-CD2 3.97Å; I83-L111 HydrophobicContact CG1-CD2 3.74Å; L86-L111 HydrophobicContact CD1-CB 3.98Å; V107-L111 WeakPolarHBondContact O-CB 3.34Å; V107-L111 PolarHBondContact O-N 3.26Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.15Å; L111-L114 PolarHBondContact O-N 3.32Å; L111-L115 HydrophobicContact CD1-CD1 3.83Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.04Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å
112N97.6Very high96.7Very high7 Ų728.1 Ų28.14%0.03717%0.166CC..Hα-helixtrans-62.9-38.4178.8-176.244.1000112D16 H17 M20 D108 M109 N116D16-N112 PolarHBondContact OD1-ND2 3.39Å; D16-N112 PolarHBondContact OD1-OD1 2.88Å; H17-N112 PolarHBondContact N-ND2 2.89Å; M20-N112 WeakPolarHBondContact CB-ND2 3.36Å; M20-N112 HydrophobicContact CG-CB 4.38Å; M20-N112 WeakPolarHBondContact CG-ND2 3.07Å; D108-N112 WeakPolarHBondContact O-CB 3.14Å; D108-N112 PolarHBondContact O-N 2.87Å; M109-N112 PolarHBondContact O-N 3.33Å; N112-N116 VanDerWaalsContact O-CB 3.25Å; N112-N116 WeakPolarHBondContact O-CB 3.47Å; N112-N116 PolarHBondContact O-N 2.89Å; N112-N116 PolarHBondContact O-ND2 2.89Å; N112-N116 PolarHBondContact OD1-ND2 2.99Å
113W98.6Very high96.6Very high3 Ų328.8 Ų28.81%0.01117%0.174CC..Hα-helixtrans-62.4-47.6172.7173.260.1000112.3M20 L47 L51 L53 M109 C110 L111 L115 N116 V117 L138 I176M20-W113 HydrophobicContact CE-CB 3.86Å; L47-W113 HydrophobicContact CD1-CG 4.42Å; L47-W113 HydrophobicContact CD2-CG 4.39Å; L51-W113 HydrophobicContact CD1-CB 3.94Å; L51-W113 HydrophobicContact CD1-CD2 3.81Å; L51-W113 HydrophobicContact CD1-CE3 3.68Å; L51-W113 HydrophobicContact CD1-CG 3.91Å; L53-W113 HydrophobicContact CD1-CZ3 4.2Å; M109-W113 WeakPolarHBondContact O-CB 3.15Å; M109-W113 PolarHBondContact O-N 2.98Å; C110-W113 PolarHBondContact O-N 3.09Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.15Å; W113-L115 PolarHBondContact O-N 2.85Å; W113-N116 WeakPolarHBondContact O-CB 3.35Å; W113-N116 PolarHBondContact O-N 2.98Å; W113-V117 HydrophobicContact CD2-CG2 4.47Å; W113-V117 HydrophobicContact CZ2-CG2 4.16Å; W113-V117 VanDerWaalsContact NE1-CG2 3.27Å; W113-V117 WeakPolarHBondContact O-CG2 3.32Å; W113-V117 PolarHBondContact O-N 3.07Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.56Å; W113-L138 HydrophobicContact CZ2-CG 4.29Å; W113-L138 HydrophobicContact CZ3-CD1 3.93Å; W113-I176 HydrophobicContact CZ2-CG1 4.38Å
114L98.6Very high96.4Very high0 Ų029 Ų290%018%0.178CC..Hα-helixtrans-62.2-43.2179.6-73.8163000112.5I82 L86 C110 L111 N116 V117 Y118 I126 F131 I135I82-L114 HydrophobicContact CG2-CD1 4.06Å; L86-L114 HydrophobicContact CD1-CD1 4.21Å; L86-L114 HydrophobicContact CD2-CD1 4.3Å; C110-L114 WeakPolarHBondContact O-CB 3.3Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.46Å; C110-L114 PolarHBondContact O-N 3.24Å; L111-L114 PolarHBondContact O-N 3.32Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-V117 PolarHBondContact O-N 3.36Å; L114-Y118 HydrophobicContact CD2-CD2 4.25Å; L114-Y118 HydrophobicContact CD2-CE2 4.14Å; L114-Y118 PolarHBondContact O-N 3.21Å; L114-I126 HydrophobicContact CB-CD1 4.38Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.61Å; L114-F131 HydrophobicContact CD2-CD2 4.33Å; L114-I135 HydrophobicContact CD1-CD1 4.29Å
115L97.7Very high96.3Very high12 Ų1231.8 Ų31.86%0.06318%0.177CC..Hα-helixtrans-67-35.4175.1-65176.4000111.7I79 I82 L111 W113 D119 R122 I126I79-L115 HydrophobicContact CD1-CD1 4.33Å; I79-L115 HydrophobicContact CG1-CD1 4.32Å; I79-L115 HydrophobicContact CG1-CD2 4.39Å; I82-L115 HydrophobicContact CD1-CD2 4.43Å; L111-L115 HydrophobicContact CD1-CD1 3.83Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.04Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å; W113-L115 PolarHBondContact O-N 2.85Å; L115-D119 HydrophobicContact CB-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 3.82Å; L115-D119 CarbonylContact O-C 3.59Å; L115-D119 VanDerWaalsContact O-CA 3.28Å; L115-D119 WeakPolarHBondContact O-CA 3.4Å; L115-D119 PolarHBondContact O-N 3.45Å; L115-D119 VanDerWaalsContact O-O 3.11Å; L115-R122 PolarHBondContact O-NH1 3.34Å; L115-I126 HydrophobicContact CD2-CG2 4.36Å
116N97.3Very high96.4Very high10 Ų1030.2 Ų30.25%0.05317%0.169CC..Hα-helixtrans-63-42.1172-89.2-42000113D16 N112 W113 L114 T120 R122 Q179D16-N116 PolarHBondContact OD1-ND2 2.98Å; N112-N116 VanDerWaalsContact O-CB 3.25Å; N112-N116 WeakPolarHBondContact O-CB 3.47Å; N112-N116 PolarHBondContact O-N 2.89Å; N112-N116 PolarHBondContact O-ND2 2.89Å; N112-N116 PolarHBondContact OD1-ND2 2.99Å; W113-N116 WeakPolarHBondContact O-CB 3.35Å; W113-N116 PolarHBondContact O-N 2.98Å; L114-N116 VanDerWaalsContact C-N 3.34Å; N116-T120 WeakPolarHBondContact O-CG2 3.47Å; N116-R122 PolarHBondContact OD1-NH2 2.86Å; N116-Q179 HydrophobicContact CB-CG 4.1Å; N116-Q179 PolarHBondContact O-OE1 3.3Å
117V98.2Very high96.4Very high3 Ų333 Ų332%0.01818%0.179CC..Hα-helixtrans-74.4-39.7-179.8178.20000112.4W113 L114 Q175 I176 Q179W113-V117 HydrophobicContact CD2-CG2 4.47Å; W113-V117 HydrophobicContact CZ2-CG2 4.16Å; W113-V117 VanDerWaalsContact NE1-CG2 3.27Å; W113-V117 WeakPolarHBondContact O-CG2 3.32Å; W113-V117 PolarHBondContact O-N 3.07Å; L114-V117 PolarHBondContact O-N 3.36Å; V117-Q175 HydrophobicContact CG1-CB 3.48Å; V117-Q175 VanDerWaalsContact CG1-CB 3.48Å; V117-I176 HydrophobicContact CG1-CG1 4.1Å; V117-Q179 HydrophobicContact CG2-CB 3.86Å; V117-Q179 HydrophobicContact CG2-CG 3.95Å
118Y98.3Very high96.4Very high33 Ų3333 Ų3313%0.12918%0.178CC..Hα-helixtrans-124-9-165-58-68.7000116.1L114 S130 G134 D172 Q175L114-Y118 HydrophobicContact CD2-CD2 4.25Å; L114-Y118 HydrophobicContact CD2-CE2 4.14Å; L114-Y118 PolarHBondContact O-N 3.21Å; Y118-S130 WeakPolarHBondContact CE2-O 3.35Å; Y118-S130 VanDerWaalsContact CZ-O 3.28Å; Y118-S130 PolarHBondContact OH-O 2.83Å; Y118-G134 PolarHBondContact OH-N 2.84Å; Y118-D172 HydrophobicContact CE1-CB 4.15Å; Y118-D172 WeakPolarHBondContact CE1-O 3.3Å; Y118-Q175 HydrophobicContact CD1-CB 4.17Å; Y118-Q175 HydrophobicContact CD1-CG 4.11Å; Y118-Q175 HydrophobicContact CE1-CB 3.96Å; Y118-Q175 HydrophobicContact CE1-CG 4.09Å
119D96.9Very high96.5Very high7 Ų731 Ų314%0.03717%0.167CC..  trans-133.956.7176.8-174.529.3000110.9L115 G121 R122 T123 G124 I126L115-D119 HydrophobicContact CB-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 3.82Å; L115-D119 CarbonylContact O-C 3.59Å; L115-D119 VanDerWaalsContact O-CA 3.28Å; L115-D119 WeakPolarHBondContact O-CA 3.4Å; L115-D119 PolarHBondContact O-N 3.45Å; L115-D119 VanDerWaalsContact O-O 3.11Å; D119-G121 PolarHBondContact O-N 3.12Å; D119-R122 PolarHBondContact O-N 3.36Å; D119-R122 PolarHBondContact O-NH1 3.31Å; D119-R122 PolarHBondContact OD1-N 3.04Å; D119-R122 WeakPolarHBondContact OD2-CA 3.29Å; D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.34Å; D119-T123 PolarHBondContact OD1-N 3.46Å; D119-T123 PolarHBondContact OD1-OG1 2.87Å; D119-T123 PolarHBondContact OD2-N 3.34Å; D119-T123 VanDerWaalsContact OD2-N 3.09Å; D119-G124 WeakPolarHBondContact OD2-CA 3.32Å; D119-G124 PolarHBondContact OD2-N 3.49Å; D119-I126 HydrophobicContact CB-CG2 3.84Å
120T91.1Very high96.5Very high88 Ų8830.7 Ų30.754%0.5417%0.167SC..THydrogen-bonded Turntrans-61.4-24.6177.254.70000112.5N116 R122N116-T120 WeakPolarHBondContact O-CG2 3.47Å; T120-R122 VanDerWaalsContact C-N 3.32Å
121G90.6Very high96.5Very high61 Ų6130.7 Ų30.763%0.62917%0.167SC*.THydrogen-bonded Turntrans-80.8-3.6173.900000115D119 T123D119-G121 PolarHBondContact O-N 3.12Å; G121-T123 PolarHBondContact O-N 3.47Å
122R92.5Very high96.5Very high64 Ų6431.1 Ų31.124%0.24217%0.168CC..  trans54.136.3-179.2-57-60.6-172.8-112.83.2114W15 L115 N116 D119 T120 G124W15-R122 HydrophobicContact CD2-CG 4.29Å; W15-R122 HydrophobicContact CZ2-CG 4.5Å; L115-R122 PolarHBondContact O-NH1 3.34Å; N116-R122 PolarHBondContact OD1-NH2 2.86Å; D119-R122 PolarHBondContact O-N 3.36Å; D119-R122 PolarHBondContact O-NH1 3.31Å; D119-R122 PolarHBondContact OD1-N 3.04Å; D119-R122 WeakPolarHBondContact OD2-CA 3.29Å; T120-R122 VanDerWaalsContact C-N 3.32Å; R122-G124 PolarHBondContact O-N 3.07Å
123T94.3Very high96.6Very high104 Ų10430.8 Ų30.864%0.63817%0.167SC*.  trans-64-1917467.10000113.1D119 G121 R125D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.34Å; D119-T123 PolarHBondContact OD1-N 3.46Å; D119-T123 PolarHBondContact OD1-OG1 2.87Å; D119-T123 PolarHBondContact OD2-N 3.34Å; D119-T123 VanDerWaalsContact OD2-N 3.09Å; G121-T123 PolarHBondContact O-N 3.47Å; T123-R125 PolarHBondContact OG1-N 2.92Å; T123-R125 PolarHBondContact OG1-O 2.92Å
124G91.1Very high96.6Very high16 Ų1630.6 Ų30.617%0.16517%0.166CC..SBendtrans80.716.9-177.400000114.1D78 I79 D119 R122D78-G124 WeakPolarHBondContact CA-O 2.73Å; I79-G124 PolarHBondContact N-O 3.26Å; D119-G124 WeakPolarHBondContact OD2-CA 3.32Å; D119-G124 PolarHBondContact OD2-N 3.49Å; R122-G124 PolarHBondContact O-N 3.07Å
125R95.6Very high96.6Very high151 Ų15130.7 Ų30.757%0.5717%0.166SC*.EExtended strand (participates in β ladder)trans-142.5144.1-178.7-67.7176.2174.4165.4-0.3111.5P76 M77 D78 T123P76-R125 HydrophobicContact CB-CB 4.34Å; M77-R125 WeakPolarHBondContact O-CA 3.48Å; D78-R125 HydrophobicContact CB-CG 4.2Å; T123-R125 PolarHBondContact OG1-N 2.92Å; T123-R125 PolarHBondContact OG1-O 2.92Å
126I97.9Very high96.7Very high7 Ų730.1 Ų30.14%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-130.9160168.966.6-177.3000109.4P76 M77 I82 L114 L115 D119 F131P76-I126 CarbonylContact C-O 3.56Å; P76-I126 WeakPolarHBondContact CA-O 3.37Å; M77-I126 WeakPolarHBondContact CB-O 3.45Å; M77-I126 PolarHBondContact N-O 3.39Å; M77-I126 PolarHBondContact O-N 3.08Å; I82-I126 HydrophobicContact CD1-CD1 3.73Å; I82-I126 HydrophobicContact CD1-CG1 3.8Å; I82-I126 HydrophobicContact CG1-CD1 4.18Å; I82-I126 HydrophobicContact CG1-CG1 4.36Å; L114-I126 HydrophobicContact CB-CD1 4.38Å; L115-I126 HydrophobicContact CD2-CG2 4.36Å; D119-I126 HydrophobicContact CB-CG2 3.84Å; I126-F131 HydrophobicContact CD1-CB 3.88Å; I126-F131 HydrophobicContact CD1-CD2 4.16Å; I126-F131 HydrophobicContact CG1-CB 4.45Å
127R97.9Very high96.7Very high66 Ų6629.6 Ų29.625%0.24916%0.161CC..EExtended strand (participates in β ladder)trans-73148.8173-69.9179.2-65.7113.413110.8Q75 L129 S130 F131 D172Q75-R127 WeakPolarHBondContact O-CA 3.32Å; R127-L129 PolarHBondContact O-N 2.86Å; R127-S130 PolarHBondContact NH2-OG 3.3Å; R127-S130 WeakPolarHBondContact O-CA 3.42Å; R127-S130 VanDerWaalsContact O-CB 3.3Å; R127-S130 WeakPolarHBondContact O-CB 3.28Å; R127-S130 PolarHBondContact O-N 3.29Å; R127-F131 PolarHBondContact O-N 2.98Å; R127-D172 IonicContact CZ-OD1 3.99Å; R127-D172 IonicContact CZ-OD2 3.23Å; R127-D172 IonicContact NH1-OD2 3.95Å; R127-D172 PolarHBondContact NH1-OD2 3.39Å; R127-D172 IonicContact NH2-OD1 2.71Å; R127-D172 PolarHBondContact NH2-OD1 3.13Å; R127-D172 IonicContact NH2-OD2 3.72Å; R127-D172 PolarHBondContact NH2-OD2 3.21Å
128V98.6Very high96.7Very high6 Ų629.5 Ų29.54%0.03616%0.16CC..Hα-helixtrans-56.9-35.4173.1169.80000111.5L70 Q72 Q75 M77 S130 F131 K132L70-V128 HydrophobicContact CB-CG1 4.04Å; L70-V128 HydrophobicContact CD2-CG2 4.29Å; Q72-V128 WeakPolarHBondContact O-CB 3.4Å; Q75-V128 PolarHBondContact O-N 3.15Å; M77-V128 HydrophobicContact CB-CG2 4.1Å; M77-V128 HydrophobicContact SD-CG2 4.38Å; V128-S130 PolarHBondContact O-N 2.98Å; V128-F131 PolarHBondContact O-N 3Å; V128-K132 HydrophobicContact CG1-CD 4.18Å; V128-K132 WeakPolarHBondContact O-CB 3.36Å; V128-K132 WeakPolarHBondContact O-CG 3.36Å; V128-K132 PolarHBondContact O-N 3.25Å
129L98.6Very high96.8Very high2 Ų228 Ų281%0.0115%0.154CC..Hα-helixtrans-60-42.5172.5-172.660.5000112.6N73 R127 T133 Q153 V154 L168 D172N73-L129 HydrophobicContact CB-CB 4.14Å; N73-L129 HydrophobicContact CB-CD1 4.43Å; N73-L129 WeakPolarHBondContact O-CB 3.5Å; N73-L129 PolarHBondContact O-N 3.11Å; R127-L129 PolarHBondContact O-N 2.86Å; L129-T133 VanDerWaalsContact O-CB 3.29Å; L129-T133 WeakPolarHBondContact O-CB 3.48Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 3.39Å; L129-Q153 HydrophobicContact CD1-CB 3.53Å; L129-Q153 HydrophobicContact CD1-CG 4.42Å; L129-V154 HydrophobicContact CD1-CG1 3.94Å; L129-V154 HydrophobicContact CD2-CG1 3.72Å; L129-L168 HydrophobicContact CD2-CB 3.97Å; L129-D172 WeakPolarHBondContact CD2-OD2 3.42Å; L129-D172 WeakPolarHBondContact CG-OD2 3.32Å
130S98.6Very high96.7Very high5 Ų532 Ų324%0.03517%0.171CC..Hα-helixtrans-65.7-46.4179-52.60000111.2Y118 R127 V128 K132 T133 G134 D172Y118-S130 WeakPolarHBondContact CE2-O 3.35Å; Y118-S130 VanDerWaalsContact CZ-O 3.28Å; Y118-S130 PolarHBondContact OH-O 2.83Å; R127-S130 PolarHBondContact NH2-OG 3.3Å; R127-S130 WeakPolarHBondContact O-CA 3.42Å; R127-S130 VanDerWaalsContact O-CB 3.3Å; R127-S130 WeakPolarHBondContact O-CB 3.28Å; R127-S130 PolarHBondContact O-N 3.29Å; V128-S130 PolarHBondContact O-N 2.98Å; S130-K132 PolarHBondContact O-N 3.18Å; S130-T133 PolarHBondContact O-N 3.2Å; S130-G134 PolarHBondContact O-N 3.22Å; S130-D172 WeakPolarHBondContact CB-OD1 3.38Å; S130-D172 PolarHBondContact OG-OD1 3.45Å
131F98.8Very high97Very high0 Ų028.5 Ų28.50%015%0.151CC..Hα-helixtrans-55.5-52174.7-179.2-107.2000111.5L65 L70 M77 I82 C85 L86 L114 I126 R127 V128 T133 G134 I135L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.64Å; L70-F131 HydrophobicContact CD1-CD1 4.42Å; L70-F131 HydrophobicContact CD1-CE1 4.23Å; M77-F131 HydrophobicContact CE-CD1 4.15Å; M77-F131 HydrophobicContact CE-CE1 4.16Å; M77-F131 HydrophobicContact CE-CG 4.37Å; M77-F131 HydrophobicContact CE-CZ 4.39Å; M77-F131 HydrophobicContact SD-CB 4.04Å; M77-F131 HydrophobicContact SD-CD1 3.98Å; M77-F131 HydrophobicContact SD-CD2 4.39Å; M77-F131 HydrophobicContact SD-CG 3.88Å; I82-F131 HydrophobicContact CG2-CD2 4.31Å; I82-F131 HydrophobicContact CG2-CE2 3.99Å; C85-F131 HydrophobicContact CB-CE1 4.25Å; C85-F131 HydrophobicContact CB-CZ 4.03Å; L86-F131 HydrophobicContact CD2-CE2 4.07Å; L86-F131 HydrophobicContact CD2-CZ 4.22Å; L86-F131 HydrophobicContact CG-CE2 4.25Å; L86-F131 HydrophobicContact CG-CZ 4.48Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.61Å; L114-F131 HydrophobicContact CD2-CD2 4.33Å; I126-F131 HydrophobicContact CD1-CB 3.88Å; I126-F131 HydrophobicContact CD1-CD2 4.16Å; I126-F131 HydrophobicContact CG1-CB 4.45Å; R127-F131 PolarHBondContact O-N 2.98Å; V128-F131 PolarHBondContact O-N 3Å; F131-T133 PolarHBondContact O-N 2.83Å; F131-G134 PolarHBondContact O-N 3.42Å; F131-I135 HydrophobicContact CD2-CG1 4.33Å; F131-I135 HydrophobicContact CE1-CG1 4.32Å; F131-I135 HydrophobicContact CE2-CD1 4.42Å; F131-I135 HydrophobicContact CE2-CG1 3.97Å; F131-I135 HydrophobicContact CZ-CG1 3.97Å; F131-I135 WeakPolarHBondContact O-CG1 3.41Å; F131-I135 PolarHBondContact O-N 2.97Å
132K98.8Very high97.2Very high8 Ų832.5 Ų32.54%0.03515%0.153CC..Hα-helixtrans-59.2-44.3176-73.8176175.9177.80112.6L65 L70 N73 V128 S130 G134 I135 I136 Y149 Q153L65-K132 HydrophobicContact CD1-CG 4.02Å; L65-K132 HydrophobicContact CD2-CG 3.87Å; L70-K132 WeakPolarHBondContact O-CE 3.32Å; L70-K132 PolarHBondContact O-NZ 3.18Å; N73-K132 PolarHBondContact OD1-NZ 3.39Å; V128-K132 HydrophobicContact CG1-CD 4.18Å; V128-K132 WeakPolarHBondContact O-CB 3.36Å; V128-K132 WeakPolarHBondContact O-CG 3.36Å; V128-K132 PolarHBondContact O-N 3.25Å; S130-K132 PolarHBondContact O-N 3.18Å; K132-G134 VanDerWaalsContact C-N 3.33Å; K132-G134 PolarHBondContact O-N 2.74Å; K132-I135 PolarHBondContact O-N 3.04Å; K132-I136 VanDerWaalsContact O-CB 3.3Å; K132-I136 WeakPolarHBondContact O-CB 3.36Å; K132-I136 WeakPolarHBondContact O-CG1 3.2Å; K132-I136 PolarHBondContact O-N 3.35Å; K132-Y149 HydrophobicContact CB-CE1 4.4Å; K132-Y149 HydrophobicContact CD-CE1 4.43Å; K132-Q153 HydrophobicContact CD-CG 4.11Å
133T98.8Very high97.2Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-63.1-40.4-179.1-59.70000111.5L129 S130 F131 S137 D172L129-T133 VanDerWaalsContact O-CB 3.29Å; L129-T133 WeakPolarHBondContact O-CB 3.48Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 3.39Å; S130-T133 PolarHBondContact O-N 3.2Å; F131-T133 PolarHBondContact O-N 2.83Å; T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 3.32Å; T133-S137 PolarHBondContact O-OG 3.14Å; T133-D172 HydrophobicContact CG2-CB 3.86Å
134G98.6Very high97.3Very high0 Ų029.7 Ų29.70%014%0.137CC..Hα-helixtrans-61.4-61.7171.800000112.8Y118 S130 F131 K132 I136 S137 L138Y118-G134 PolarHBondContact OH-N 2.84Å; S130-G134 PolarHBondContact O-N 3.22Å; F131-G134 PolarHBondContact O-N 3.42Å; K132-G134 VanDerWaalsContact C-N 3.33Å; K132-G134 PolarHBondContact O-N 2.74Å; G134-I136 PolarHBondContact O-N 3.37Å; G134-S137 PolarHBondContact O-N 3Å; G134-L138 PolarHBondContact O-N 3.16Å
135I98.8Very high97.6Very high1 Ų132 Ų321%0.00515%0.145CC..Hα-helixtrans-61.4-45-173.3-63.7-61.9000112.2L53 L56 A61 L86 I89 L114 F131 K132 L138 C139L53-I135 HydrophobicContact CD1-CD1 4.47Å; L53-I135 HydrophobicContact CD2-CD1 4.26Å; L56-I135 HydrophobicContact CD2-CG2 3.56Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; L86-I135 HydrophobicContact CD2-CD1 3.92Å; I89-I135 HydrophobicContact CD1-CG2 4.41Å; L114-I135 HydrophobicContact CD1-CD1 4.29Å; F131-I135 HydrophobicContact CD2-CG1 4.33Å; F131-I135 HydrophobicContact CE1-CG1 4.32Å; F131-I135 HydrophobicContact CE2-CD1 4.42Å; F131-I135 HydrophobicContact CE2-CG1 3.97Å; F131-I135 HydrophobicContact CZ-CG1 3.97Å; F131-I135 WeakPolarHBondContact O-CG1 3.41Å; F131-I135 PolarHBondContact O-N 2.97Å; K132-I135 PolarHBondContact O-N 3.04Å; I135-L138 PolarHBondContact O-N 3.19Å; I135-C139 PolarHBondContact O-N 2.91Å
136I98.8Very high97.7Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-76.2-30.4-177.1-57.7-54000112.4L58 A61 K132 G134 L138 C139 K146 Y149 L150L58-I136 HydrophobicContact CD1-CD1 3.75Å; L58-I136 HydrophobicContact CD1-CG1 4.48Å; L58-I136 HydrophobicContact CD1-CG2 4.11Å; A61-I136 HydrophobicContact CB-CD1 3.5Å; K132-I136 VanDerWaalsContact O-CB 3.3Å; K132-I136 WeakPolarHBondContact O-CB 3.36Å; K132-I136 WeakPolarHBondContact O-CG1 3.2Å; K132-I136 PolarHBondContact O-N 3.35Å; G134-I136 PolarHBondContact O-N 3.37Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 PolarHBondContact O-N 3.31Å; I136-C139 PolarHBondContact O-SG 3.48Å; I136-C139 VanDerWaalsContact O-SG 3.33Å; I136-K146 HydrophobicContact CG2-CB 4.35Å; I136-K146 HydrophobicContact CG2-CG 4.16Å; I136-K146 VanDerWaalsContact O-CD 3.24Å; I136-K146 WeakPolarHBondContact O-CD 3.17Å; I136-K146 WeakPolarHBondContact O-CE 3.21Å; I136-K146 WeakPolarHBondContact O-CG 3.47Å; I136-Y149 HydrophobicContact CB-CD1 4.2Å; I136-Y149 HydrophobicContact CB-CE1 4.46Å; I136-Y149 HydrophobicContact CG1-CD1 3.84Å; I136-Y149 HydrophobicContact CG1-CE1 3.69Å; I136-Y149 HydrophobicContact CG2-CD1 3.83Å; I136-Y149 HydrophobicContact CG2-CG 4.25Å; I136-L150 HydrophobicContact CB-CD2 4.29Å; I136-L150 HydrophobicContact CG2-CD2 4.43Å; I136-L150 HydrophobicContact CG2-CG 4.35Å
137S98.7Very high97.7Very high0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-61.2-37.7172-66.70000111.9T133 G134 K146 L227T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 3.32Å; T133-S137 PolarHBondContact O-OG 3.14Å; G134-S137 PolarHBondContact O-N 3Å; S137-K146 PolarHBondContact O-NZ 3.17Å; S137-L227 WeakPolarHBondContact O-CD1 3.47Å
138L98.7Very high97.8Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-96.9-0.8-177.6-62.2-167.2000115.4L44 L47 Q48 L53 W113 G134 I135 I136 L230L44-L138 HydrophobicContact CD2-CD2 4.49Å; L47-L138 HydrophobicContact CD2-CD1 4.33Å; Q48-L138 HydrophobicContact CG-CB 4.37Å; Q48-L138 WeakPolarHBondContact CG-O 3.23Å; Q48-L138 PolarHBondContact NE2-O 3.04Å; L53-L138 CarbonylContact C-O 3.6Å; L53-L138 HydrophobicContact CB-CB 4.08Å; L53-L138 WeakPolarHBondContact CB-O 3.33Å; L53-L138 HydrophobicContact CD1-CB 3.72Å; L53-L138 HydrophobicContact CD1-CD1 4.1Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.56Å; W113-L138 HydrophobicContact CZ2-CG 4.29Å; W113-L138 HydrophobicContact CZ3-CD1 3.93Å; G134-L138 PolarHBondContact O-N 3.16Å; I135-L138 PolarHBondContact O-N 3.19Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 PolarHBondContact O-N 3.31Å; L138-L230 HydrophobicContact CD2-CD2 3.75Å
139C98.5Very high97.8Very high1 Ų128.7 Ų28.71%0.00713%0.132CC..SBendtrans-68.7173.3177.482.60000113.4L53 L56 I135 I136 K146L53-C139 CarbonylContact O-C 3.48Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.41Å; L56-C139 HydrophobicContact CB-CB 4.27Å; L56-C139 HydrophobicContact CD2-CB 4.45Å; L56-C139 HydrophobicContact CG-CB 4.24Å; L56-C139 WeakPolarHBondContact O-CB 3.49Å; I135-C139 PolarHBondContact O-N 2.91Å; I136-C139 PolarHBondContact O-SG 3.48Å; I136-C139 VanDerWaalsContact O-SG 3.33Å; C139-K146 WeakPolarHBondContact O-CE 3.43Å; C139-K146 PolarHBondContact O-NZ 3.03Å; C139-K146 VanDerWaalsContact SG-CE 3.54Å
140K96.7Very high97.8Very high93 Ų9328.7 Ų28.740%0.40413%0.132SC..SBendtrans-84.30.6-178.690.4-172.8166.1-162.10115.9L53 D54 L55 L56L53-K140 PolarHBondContact O-N 3.36Å; D54-K140 WeakPolarHBondContact O-CB 3.33Å; D54-K140 WeakPolarHBondContact O-CD 3.37Å; L55-K140 WeakPolarHBondContact O-CD 3.47Å; L55-K140 WeakPolarHBondContact O-CE 3.41Å; L55-K140 PolarHBondContact O-NZ 3.44Å; L56-K140 WeakPolarHBondContact O-CG 3.45Å; L56-K140 PolarHBondContact O-N 3.42Å
141A96.8Very high97.8Very high14 Ų1428.6 Ų28.612%0.11613%0.131CC..SBendtrans-70.2162.3-176.700000113.9L58 K146 H231L58-A141 HydrophobicContact CB-CB 3.58Å; A141-K146 HydrophobicContact CB-CG 4.42Å; A141-K146 WeakPolarHBondContact O-CE 3.45Å; A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 3.06Å
142H94.1Very high97.7Very high145 Ų14536.2 Ų36.267%0.67116%0.164SC*.  trans-64.3152.4178.1-58.4-71000111.9E144 D145 K146 H231H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.37Å; H142-D145 WeakPolarHBondContact CB-OD2 3.33Å; H142-D145 IonicContact CD2-OD2 3.83Å; H142-D145 PolarHBondContact CD2-OD2 2.91Å; H142-D145 IonicContact CG-OD2 3.87Å; H142-D145 PolarHBondContact O-N 3.46Å; H142-K146 PolarHBondContact O-N 3.24Å; H142-K146 VanDerWaalsContact O-N 3.1Å; H142-H231 PolarHBondContact O-CE1 2.85Å
143L93.3Very high97.7Very high44 Ų4437.1 Ų37.123%0.2317%0.168CC..Hα-helixtrans-58-43.8-175.7-174.370.4000112.8K146 Y147 L227 P228 H231L143-K146 PolarHBondContact O-N 3.02Å; L143-Y147 HydrophobicContact CD1-CD1 4.48Å; L143-Y147 HydrophobicContact CD1-CE1 3.69Å; L143-Y147 HydrophobicContact CD1-CE2 4.21Å; L143-Y147 HydrophobicContact CD2-CE2 3.93Å; L143-Y147 HydrophobicContact CG-CD2 4.3Å; L143-Y147 HydrophobicContact CG-CE1 4.07Å; L143-Y147 HydrophobicContact CG-CE2 3.7Å; L143-Y147 VanDerWaalsContact O-CG 3.3Å; L143-Y147 PolarHBondContact O-N 3.46Å; L143-L227 HydrophobicContact CD1-CG 3.98Å; L143-P228 HydrophobicContact CD1-CB 4.42Å; L143-P228 HydrophobicContact CD2-CB 3.74Å; L143-H231 WeakPolarHBondContact CA-CE1 3.46Å; L143-H231 PolarHBondContact N-CE1 3.31Å
144E95.1Very high97.7Very high65 Ų6537.4 Ų37.430%0.30417%0.17SC..Hα-helixtrans-67.2-36.2179.6-167.4169.4124.900111.9H142 Y147 R148 L214 R218H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.37Å; E144-Y147 PolarHBondContact O-N 3.36Å; E144-R148 HydrophobicContact CG-CG 4.41Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 2.91Å; E144-R148 IonicContact OE1-CZ 2.74Å; E144-R148 VanDerWaalsContact OE1-CZ 3.26Å; E144-R148 IonicContact OE1-NE 2.82Å; E144-R148 PolarHBondContact OE1-NE 2.87Å; E144-R148 IonicContact OE1-NH2 3.01Å; E144-R148 PolarHBondContact OE1-NH2 3.32Å; E144-L214 HydrophobicContact CG-CD1 3.86Å; E144-L214 HydrophobicContact CG-CD2 3.77Å; E144-L214 HydrophobicContact CG-CG 4.42Å; E144-R218 IonicContact OE1-NH2 3.8Å; E144-R218 IonicContact OE2-CZ 2.98Å; E144-R218 IonicContact OE2-NE 2.7Å; E144-R218 IonicContact OE2-NH2 3.29Å; E144-R218 PolarHBondContact OE2-NH2 2.94Å
145D97.7Very high97.6Very high64 Ų6438.1 Ų38.134%0.34218%0.176SC..Hα-helixtrans-65-42176.6-57.2-29.4000111.4L58 H142 R148 Y149L58-D145 HydrophobicContact CD2-CB 3.87Å; H142-D145 WeakPolarHBondContact CB-OD2 3.33Å; H142-D145 IonicContact CD2-OD2 3.83Å; H142-D145 PolarHBondContact CD2-OD2 2.91Å; H142-D145 IonicContact CG-OD2 3.87Å; H142-D145 PolarHBondContact O-N 3.46Å; D145-R148 PolarHBondContact O-N 2.76Å; D145-Y149 WeakPolarHBondContact O-CB 3.48Å; D145-Y149 PolarHBondContact O-N 3.44Å
146K98.5Very high97.5Very high2 Ų239.3 Ų39.31%0.00918%0.184CC..Hα-helixtrans-59.5-49.3173.2-68.6179.4176.6-175.80111I136 S137 C139 A141 H142 L143 R148 Y149 L150 H231I136-K146 HydrophobicContact CG2-CB 4.35Å; I136-K146 HydrophobicContact CG2-CG 4.16Å; I136-K146 VanDerWaalsContact O-CD 3.24Å; I136-K146 WeakPolarHBondContact O-CD 3.17Å; I136-K146 WeakPolarHBondContact O-CE 3.21Å; I136-K146 WeakPolarHBondContact O-CG 3.47Å; S137-K146 PolarHBondContact O-NZ 3.17Å; C139-K146 WeakPolarHBondContact O-CE 3.43Å; C139-K146 PolarHBondContact O-NZ 3.03Å; C139-K146 VanDerWaalsContact SG-CE 3.54Å; A141-K146 HydrophobicContact CB-CG 4.42Å; A141-K146 WeakPolarHBondContact O-CE 3.45Å; H142-K146 PolarHBondContact O-N 3.24Å; H142-K146 VanDerWaalsContact O-N 3.1Å; L143-K146 PolarHBondContact O-N 3.02Å; K146-R148 PolarHBondContact O-N 3.26Å; K146-Y149 PolarHBondContact O-N 2.83Å; K146-L150 WeakPolarHBondContact O-CB 3.32Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.31Å; K146-L150 PolarHBondContact O-N 3.16Å; K146-H231 WeakPolarHBondContact CD-CE1 3.49Å; K146-H231 WeakPolarHBondContact CD-NE2 3.44Å; K146-H231 WeakPolarHBondContact CE-CE1 3.3Å; K146-H231 WeakPolarHBondContact CE-NE2 3.29Å; K146-H231 PolarHBondContact NZ-NE2 3.31Å
147Y98.4Very high97.2Very high11 Ų1145.7 Ų45.74%0.04323%0.229CC..Hα-helixtrans-60.3-44.4178.1-65.8-15.4000111.9L143 E144 L150 F151 L214 M217 L227L143-Y147 HydrophobicContact CD1-CD1 4.48Å; L143-Y147 HydrophobicContact CD1-CE1 3.69Å; L143-Y147 HydrophobicContact CD1-CE2 4.21Å; L143-Y147 HydrophobicContact CD2-CE2 3.93Å; L143-Y147 HydrophobicContact CG-CD2 4.3Å; L143-Y147 HydrophobicContact CG-CE1 4.07Å; L143-Y147 HydrophobicContact CG-CE2 3.7Å; L143-Y147 VanDerWaalsContact O-CG 3.3Å; L143-Y147 PolarHBondContact O-N 3.46Å; E144-Y147 PolarHBondContact O-N 3.36Å; Y147-L150 PolarHBondContact O-N 3.33Å; Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.28Å; Y147-F151 PolarHBondContact O-N 2.91Å; Y147-L214 VanDerWaalsContact CB-CD2 3.42Å; Y147-L214 HydrophobicContact CD2-CD2 3.81Å; Y147-L214 HydrophobicContact CG-CD2 4.14Å; Y147-M217 HydrophobicContact CD1-CE 3.71Å; Y147-M217 HydrophobicContact CD2-CB 3.82Å; Y147-M217 HydrophobicContact CD2-CE 4.41Å; Y147-M217 HydrophobicContact CD2-CG 4.36Å; Y147-M217 HydrophobicContact CE1-CE 3.26Å; Y147-M217 HydrophobicContact CE2-CB 3.55Å; Y147-M217 HydrophobicContact CE2-CE 4.04Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.26Å; Y147-M217 VanDerWaalsContact CZ-CE 3.42Å; Y147-L227 HydrophobicContact CD1-CD2 4.47Å; Y147-L227 HydrophobicContact CE1-CD2 3.93Å; Y147-L227 HydrophobicContact CE1-CG 4.29Å
148R98.6Very high97Very high116 Ų11650.7 Ų50.744%0.43826%0.26SS..Hα-helixtrans-61.3-45175.8-73.9172.7-179.9-78.20.4112E144 D145 K146 K152 L214E144-R148 HydrophobicContact CG-CG 4.41Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 2.91Å; E144-R148 IonicContact OE1-CZ 2.74Å; E144-R148 VanDerWaalsContact OE1-CZ 3.26Å; E144-R148 IonicContact OE1-NE 2.82Å; E144-R148 PolarHBondContact OE1-NE 2.87Å; E144-R148 IonicContact OE1-NH2 3.01Å; E144-R148 PolarHBondContact OE1-NH2 3.32Å; D145-R148 PolarHBondContact O-N 2.76Å; K146-R148 PolarHBondContact O-N 3.26Å; R148-K152 WeakPolarHBondContact O-CB 2.94Å; R148-K152 PolarHBondContact O-N 3.36Å; R148-K152 VanDerWaalsContact O-N 3.11Å; R148-L214 HydrophobicContact CG-CD1 3.83Å; R148-L214 HydrophobicContact CG-CD2 4.4Å
149Y98.6Very high96.9Very high31 Ų3152.3 Ų52.312%0.12228%0.277CS..Hα-helixtrans-62.8-49.4177.7-179.9-83.7000112L58 C62 L65 K132 I136 D145 K146 K152 Q153L58-Y149 HydrophobicContact CD1-CD2 3.83Å; L58-Y149 HydrophobicContact CD1-CE2 4.42Å; L58-Y149 HydrophobicContact CD1-CG 4.01Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.45Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.46Å; K132-Y149 HydrophobicContact CB-CE1 4.4Å; K132-Y149 HydrophobicContact CD-CE1 4.43Å; I136-Y149 HydrophobicContact CB-CD1 4.2Å; I136-Y149 HydrophobicContact CB-CE1 4.46Å; I136-Y149 HydrophobicContact CG1-CD1 3.84Å; I136-Y149 HydrophobicContact CG1-CE1 3.69Å; I136-Y149 HydrophobicContact CG2-CD1 3.83Å; I136-Y149 HydrophobicContact CG2-CG 4.25Å; D145-Y149 WeakPolarHBondContact O-CB 3.48Å; D145-Y149 PolarHBondContact O-N 3.44Å; K146-Y149 PolarHBondContact O-N 2.83Å; Y149-K152 WeakPolarHBondContact O-CB 3.47Å; Y149-K152 PolarHBondContact O-N 3.43Å; Y149-Q153 HydrophobicContact CD1-CG 4.05Å; Y149-Q153 HydrophobicContact CE1-CG 3.58Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.35Å; Y149-Q153 WeakPolarHBondContact O-CG 3.18Å; Y149-Q153 PolarHBondContact O-N 3.42Å; Y149-Q153 PolarHBondContact O-NE2 3.14Å
150L98.6Very high96.9Very high2 Ų255.7 Ų55.71%0.0129%0.291CS..Hα-helixtrans-66.6-42.9-176.2-71.3172.9000111.7I136 K146 Y147 K152 Q153 L169I136-L150 HydrophobicContact CB-CD2 4.29Å; I136-L150 HydrophobicContact CG2-CD2 4.43Å; I136-L150 HydrophobicContact CG2-CG 4.35Å; K146-L150 WeakPolarHBondContact O-CB 3.32Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.31Å; K146-L150 PolarHBondContact O-N 3.16Å; Y147-L150 PolarHBondContact O-N 3.33Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 2.81Å; L150-Q153 WeakPolarHBondContact O-CB 3.42Å; L150-Q153 PolarHBondContact O-N 3.49Å; L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.39Å; L150-L169 HydrophobicContact CG-CD1 4.46Å
151F98.6Very high96.9Very high4 Ų451.2 Ų51.22%0.01827%0.272CS..Hα-helixtrans-58-44172.1-176.5-89.2000111.7Y147 Q153 V154 A155 C161 I208 E209 A210 F213Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.28Å; Y147-F151 PolarHBondContact O-N 2.91Å; F151-Q153 PolarHBondContact O-N 3.45Å; F151-Q153 VanDerWaalsContact O-N 3.17Å; F151-V154 WeakPolarHBondContact O-CG2 3.5Å; F151-V154 PolarHBondContact O-N 2.82Å; F151-V154 VanDerWaalsContact O-N 3.1Å; F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.83Å; F151-A155 HydrophobicContact CZ-CB 4.49Å; F151-A155 WeakPolarHBondContact O-CB 3.08Å; F151-A155 PolarHBondContact O-N 3.29Å; F151-C161 HydrophobicContact CE1-CB 4.26Å; F151-C161 HydrophobicContact CE2-CB 3.49Å; F151-C161 VanDerWaalsContact CE2-CB 3.49Å; F151-C161 HydrophobicContact CZ-CB 3.34Å; F151-I208 HydrophobicContact CE2-CD1 4.22Å; F151-I208 HydrophobicContact CE2-CG1 4.09Å; F151-I208 HydrophobicContact CZ-CG1 4.38Å; F151-E209 VanDerWaalsContact CZ-C 3.46Å; F151-A210 HydrophobicContact CD1-CB 3.6Å; F151-A210 HydrophobicContact CE1-CB 3.71Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.33Å; F151-A210 HydrophobicContact CZ-CB 4.49Å; F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.9Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.52Å; F151-F213 HydrophobicContact CD2-CD1 3.52Å; F151-F213 AromaticContact CD2-CD2 4Å; F151-F213 HydrophobicContact CD2-CD2 4Å; F151-F213 HydrophobicContact CD2-CE1 4.17Å; F151-F213 AromaticContact CD2-CG 3.41Å; F151-F213 HydrophobicContact CD2-CG 3.41Å; F151-F213 VanDerWaalsContact CD2-CG 3.41Å; F151-F213 HydrophobicContact CE2-CB 3.6Å; F151-F213 HydrophobicContact CE2-CD1 4.42Å; F151-F213 HydrophobicContact CE2-CD2 4.45Å; F151-F213 AromaticContact CE2-CG 3.93Å; F151-F213 HydrophobicContact CE2-CG 3.93Å; F151-F213 HydrophobicContact CG-CB 4.45Å; F151-F213 AromaticContact CG-CD1 3.93Å; F151-F213 HydrophobicContact CG-CD1 3.93Å; F151-F213 HydrophobicContact CG-CE1 4.47Å; F151-F213 HydrophobicContact CG-CG 4.26Å
152K98.2Very high97Very high160 Ų16052.3 Ų52.370%0.69628%0.276SS*.Hα-helixtrans-61.9-20.4176.1-172.7-179.7177.2-172.80113.3R148 Y149 L150R148-K152 WeakPolarHBondContact O-CB 2.94Å; R148-K152 PolarHBondContact O-N 3.36Å; R148-K152 VanDerWaalsContact O-N 3.11Å; Y149-K152 WeakPolarHBondContact O-CB 3.47Å; Y149-K152 PolarHBondContact O-N 3.43Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 2.81Å
153Q98Very high97.2Very high26 Ų2650.1 Ų50.112%0.12127%0.266CS..Hα-helixtrans-76.4-24.7175.5-58.2-39.3-69.200113.5N73 L129 K132 Y149 L150 F151N73-Q153 WeakPolarHBondContact ND2-CA 3.32Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.44Å; N73-Q153 PolarHBondContact ND2-O 2.74Å; N73-Q153 PolarHBondContact ND2-OE1 2.96Å; L129-Q153 HydrophobicContact CD1-CB 3.53Å; L129-Q153 HydrophobicContact CD1-CG 4.42Å; K132-Q153 HydrophobicContact CD-CG 4.11Å; Y149-Q153 HydrophobicContact CD1-CG 4.05Å; Y149-Q153 HydrophobicContact CE1-CG 3.58Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.35Å; Y149-Q153 WeakPolarHBondContact O-CG 3.18Å; Y149-Q153 PolarHBondContact O-N 3.42Å; Y149-Q153 PolarHBondContact O-NE2 3.14Å; L150-Q153 WeakPolarHBondContact O-CB 3.42Å; L150-Q153 PolarHBondContact O-N 3.49Å; F151-Q153 PolarHBondContact O-N 3.45Å; F151-Q153 VanDerWaalsContact O-N 3.17Å
154V97.9Very high97.4Very high6 Ų654.9 Ų54.94%0.03628%0.281CS..Hα-helixtrans-108.3-23.2-178.7-65.50000114L129 F151 R165 L168 L169L129-V154 HydrophobicContact CD1-CG1 3.94Å; L129-V154 HydrophobicContact CD2-CG1 3.72Å; F151-V154 WeakPolarHBondContact O-CG2 3.5Å; F151-V154 PolarHBondContact O-N 2.82Å; F151-V154 VanDerWaalsContact O-N 3.1Å; V154-R165 HydrophobicContact CB-CB 4.22Å; V154-R165 WeakPolarHBondContact CB-O 3.29Å; V154-R165 WeakPolarHBondContact CG2-O 3.41Å; V154-R165 WeakPolarHBondContact O-CB 3.33Å; V154-R165 WeakPolarHBondContact O-CD 3.24Å; V154-R165 WeakPolarHBondContact O-CG 3.39Å; V154-R165 PolarHBondContact O-NH1 3.23Å; V154-L168 HydrophobicContact CG1-CB 4.18Å; V154-L169 HydrophobicContact CG1-CB 3.88Å; V154-L169 HydrophobicContact CG2-CB 3.93Å; V154-L169 HydrophobicContact CG2-CD2 4.26Å
155A97.6Very high97.6Very high15 Ų1555.2 Ų55.212%0.12428%0.279CS..SBendtrans-59.7161.4175.100000113F151 F160 R165F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.83Å; F151-A155 HydrophobicContact CZ-CB 4.49Å; F151-A155 WeakPolarHBondContact O-CB 3.08Å; F151-A155 PolarHBondContact O-N 3.29Å; A155-F160 CarbonylContact C-O 3.59Å; A155-F160 VanDerWaalsContact CA-O 3.28Å; A155-F160 WeakPolarHBondContact CA-O 3.4Å; A155-R165 PolarHBondContact O-NH1 2.57Å
156S95.8Very high97.6Very high26 Ų2652.1 Ų52.118%0.18226%0.263CS..  trans-66.2168.1169.5690000111.7T158 G159 F160S156-T158 PolarHBondContact O-N 3.37Å; S156-T158 PolarHBondContact OG-N 3.22Å; S156-T158 PolarHBondContact OG-OG1 3.41Å; S156-G159 PolarHBondContact O-N 2.7Å; S156-G159 PolarHBondContact OG-N 3.24Å; S156-G159 VanDerWaalsContact OG-N 3.16Å; S156-F160 PolarHBondContact N-O 3.14Å; S156-F160 PolarHBondContact OG-N 3.34Å; S156-F160 PolarHBondContact OG-O 2.98Å
157S92.7Very high97.6Very high135 Ų13552.5 Ų52.594%0.94427%0.267SS*.THydrogen-bonded Turntrans-59.4-21.4167.448.80000113.4
158T95.2Very high97.6Very high105 Ų10554.2 Ų54.264%0.64428%0.277SS*.THydrogen-bonded Turntrans-88.7-2.3174.148.50000114S156S156-T158 PolarHBondContact O-N 3.37Å; S156-T158 PolarHBondContact OG-N 3.22Å; S156-T158 PolarHBondContact OG-OG1 3.41Å
159G95.9Very high97.6Very high34 Ų3448.8 Ų48.835%0.35126%0.256SS..SBendtrans89.24.6175.900000115.9S156S156-G159 PolarHBondContact O-N 2.7Å; S156-G159 PolarHBondContact OG-N 3.24Å; S156-G159 VanDerWaalsContact OG-N 3.16Å
160F97.8Very high97.6Very high71 Ų7147.4 Ų47.431%0.31125%0.251SS..EExtended strand (participates in β ladder)trans-93.2150.4179.6-66.9-80.5000112.1A155 S156 E207 I208 E209A155-F160 CarbonylContact C-O 3.59Å; A155-F160 VanDerWaalsContact CA-O 3.28Å; A155-F160 WeakPolarHBondContact CA-O 3.4Å; S156-F160 PolarHBondContact N-O 3.14Å; S156-F160 PolarHBondContact OG-N 3.34Å; S156-F160 PolarHBondContact OG-O 2.98Å; F160-E207 HydrophobicContact CB-CB 4.13Å; F160-E207 HydrophobicContact CD1-CB 4.35Å; F160-I208 CarbonylContact C-O 3.51Å; F160-E209 HydrophobicContact CD1-CG 3.9Å; F160-E209 HydrophobicContact CE1-CG 3.6Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.06Å; F160-E209 HydrophobicContact CZ-CG 4.38Å
161C98.3Very high97.5Very high0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-132.9116.4-176.9-1690000110.2F151 R165 L166 F199 E207 I208F151-C161 HydrophobicContact CE1-CB 4.26Å; F151-C161 HydrophobicContact CE2-CB 3.49Å; F151-C161 VanDerWaalsContact CE2-CB 3.49Å; F151-C161 HydrophobicContact CZ-CB 3.34Å; C161-R165 WeakPolarHBondContact SG-CB 3.25Å; C161-L166 PolarHBondContact SG-N 2.82Å; C161-F199 WeakPolarHBondContact O-CZ 3.45Å; C161-E207 CarbonylContact O-C 3.58Å; C161-E207 WeakPolarHBondContact O-CA 2.78Å; C161-I208 HydrophobicContact CB-CG1 4.04Å; C161-I208 PolarHBondContact N-O 3.11Å; C161-I208 PolarHBondContact O-N 3.18Å
162D98.2Very high97.5Very high37 Ų3751.2 Ų51.220%0.19827%0.269CS..EExtended strand (participates in β ladder)trans-77.8170173.170.752.1000112.1R164 R165 L166 E207D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.18Å; D162-R164 WeakPolarHBondContact OD1-CA 3.28Å; D162-R164 VanDerWaalsContact OD1-CB 3.28Å; D162-R164 WeakPolarHBondContact OD1-CB 3.43Å; D162-R164 PolarHBondContact OD1-N 3.26Å; D162-R164 IonicContact OD1-NE 3.25Å; D162-R164 IonicContact OD1-NH2 3.49Å; D162-R164 IonicContact OD2-NH2 3.8Å; D162-R164 PolarHBondContact OD2-NH2 3.22Å; D162-R165 PolarHBondContact O-N 3.25Å; D162-R165 WeakPolarHBondContact OD1-CG 3.4Å; D162-R165 PolarHBondContact OD1-N 2.78Å; D162-R165 WeakPolarHBondContact OD2-CD 3.26Å; D162-R165 WeakPolarHBondContact OD2-CG 3.45Å; D162-R165 IonicContact OD2-NE 2.71Å; D162-R165 PolarHBondContact OD2-NE 2.99Å; D162-L166 PolarHBondContact O-N 3.14Å; D162-E207 HydrophobicContact CB-CG 4.38Å
163Q98.4Very high97.5Very high99 Ų9943.6 Ų43.646%0.46324%0.236SC..Hα-helixtrans-58.2-37.8-179.6-76-171.457.200113.4G167 V195 F199Q163-G167 PolarHBondContact O-N 3.45Å; Q163-V195 HydrophobicContact CB-CG1 3.69Å; Q163-V195 HydrophobicContact CG-CG1 3.88Å; Q163-V195 WeakPolarHBondContact O-CG1 3.49Å; Q163-F199 HydrophobicContact CB-CE2 4.37Å; Q163-F199 HydrophobicContact CB-CZ 4.36Å; Q163-F199 HydrophobicContact CG-CB 4.36Å; Q163-F199 HydrophobicContact CG-CD1 3.5Å; Q163-F199 VanDerWaalsContact CG-CD1 3.5Å; Q163-F199 HydrophobicContact CG-CD2 3.68Å; Q163-F199 HydrophobicContact CG-CE1 3.61Å; Q163-F199 HydrophobicContact CG-CE2 3.77Å; Q163-F199 HydrophobicContact CG-CG 3.54Å; Q163-F199 HydrophobicContact CG-CZ 3.75Å
164R97.7Very high97.5Very high144 Ų14442.4 Ų42.454%0.54323%0.23SC..Hα-helixtrans-71.4-39.2-179.8173.1-162.763.486.514.4110.7D162 G167 L168D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.18Å; D162-R164 WeakPolarHBondContact OD1-CA 3.28Å; D162-R164 VanDerWaalsContact OD1-CB 3.28Å; D162-R164 WeakPolarHBondContact OD1-CB 3.43Å; D162-R164 PolarHBondContact OD1-N 3.26Å; D162-R164 IonicContact OD1-NE 3.25Å; D162-R164 IonicContact OD1-NH2 3.49Å; D162-R164 IonicContact OD2-NH2 3.8Å; D162-R164 PolarHBondContact OD2-NH2 3.22Å; R164-G167 CarbonylContact O-C 3.46Å; R164-G167 WeakPolarHBondContact O-CA 3.36Å; R164-G167 PolarHBondContact O-N 3.18Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.9Å
165R98.2Very high97.5Very high71 Ų7143 Ų4327%0.26823%0.232SC..Hα-helixtrans-63.2-45.2174.3-72.5170.2-177.3-80.5-0.2112V154 A155 C161 D162 G167 L168 L169V154-R165 HydrophobicContact CB-CB 4.22Å; V154-R165 WeakPolarHBondContact CB-O 3.29Å; V154-R165 WeakPolarHBondContact CG2-O 3.41Å; V154-R165 WeakPolarHBondContact O-CB 3.33Å; V154-R165 WeakPolarHBondContact O-CD 3.24Å; V154-R165 WeakPolarHBondContact O-CG 3.39Å; V154-R165 PolarHBondContact O-NH1 3.23Å; A155-R165 PolarHBondContact O-NH1 2.57Å; C161-R165 WeakPolarHBondContact SG-CB 3.25Å; D162-R165 PolarHBondContact O-N 3.25Å; D162-R165 WeakPolarHBondContact OD1-CG 3.4Å; D162-R165 PolarHBondContact OD1-N 2.78Å; D162-R165 WeakPolarHBondContact OD2-CD 3.26Å; D162-R165 WeakPolarHBondContact OD2-CG 3.45Å; D162-R165 IonicContact OD2-NE 2.71Å; D162-R165 PolarHBondContact OD2-NE 2.99Å; R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.98Å; R165-L168 PolarHBondContact O-N 2.8Å; R165-L169 PolarHBondContact O-N 3.09Å
166L98.6Very high97.6Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-62.1-39.9171.5-17962.7000110.8C161 D162 L168 L169 L170 V195 C198 F199 I208 F213C161-L166 PolarHBondContact SG-N 2.82Å; D162-L166 PolarHBondContact O-N 3.14Å; L166-L168 PolarHBondContact O-N 2.9Å; L166-L169 PolarHBondContact O-N 2.86Å; L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.15Å; L166-L170 HydrophobicContact CD2-CD1 4.38Å; L166-L170 HydrophobicContact CG-CD1 3.96Å; L166-L170 HydrophobicContact CG-CG 4.25Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.19Å; L166-V195 HydrophobicContact CG-CG2 4.42Å; L166-C198 HydrophobicContact CD2-CB 3.5Å; L166-C198 VanDerWaalsContact CD2-CB 3.5Å; L166-F199 HydrophobicContact CB-CE2 4.16Å; L166-F199 HydrophobicContact CD2-CD2 4.05Å; L166-F199 HydrophobicContact CD2-CE2 3.7Å; L166-I208 HydrophobicContact CD2-CD1 4.37Å; L166-F213 HydrophobicContact CD1-CD2 3.97Å; L166-F213 HydrophobicContact CD1-CE2 3.75Å
167G98.2Very high97.7Very high9 Ų941 Ų419%0.09322%0.218CC..Hα-helixtrans-55.2-46174.400000113.3Q163 R164 R165 L169 L170 H171Q163-G167 PolarHBondContact O-N 3.45Å; R164-G167 CarbonylContact O-C 3.46Å; R164-G167 WeakPolarHBondContact O-CA 3.36Å; R164-G167 PolarHBondContact O-N 3.18Å; R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.98Å; G167-L169 PolarHBondContact O-N 2.99Å; G167-L170 PolarHBondContact O-N 3.33Å; G167-H171 WeakPolarHBondContact O-CB 3.43Å; G167-H171 PolarHBondContact O-N 3.36Å
168L97.9Very high97.9Very high47 Ų4739.8 Ų39.825%0.24619%0.192CC..Hα-helixtrans-57-46.7175.5-67.9172.9000112.2L129 V154 R164 R165 L166 H171 D172L129-L168 HydrophobicContact CD2-CB 3.97Å; V154-L168 HydrophobicContact CG1-CB 4.18Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.9Å; R165-L168 PolarHBondContact O-N 2.8Å; L166-L168 PolarHBondContact O-N 2.9Å; L168-H171 PolarHBondContact O-N 3.1Å; L168-D172 PolarHBondContact O-N 3Å
169L98.6Very high98Very high3 Ų337.3 Ų37.32%0.01617%0.174CC..Hα-helixtrans-65.5-44.5179.5172.457.9000112.2L150 V154 R165 L166 G167 S173 F213L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.39Å; L150-L169 HydrophobicContact CG-CD1 4.46Å; V154-L169 HydrophobicContact CG1-CB 3.88Å; V154-L169 HydrophobicContact CG2-CB 3.93Å; V154-L169 HydrophobicContact CG2-CD2 4.26Å; R165-L169 PolarHBondContact O-N 3.09Å; L166-L169 PolarHBondContact O-N 2.86Å; G167-L169 PolarHBondContact O-N 2.99Å; L169-S173 WeakPolarHBondContact O-CB 3.42Å; L169-S173 PolarHBondContact O-N 2.77Å; L169-S173 PolarHBondContact O-OG 2.98Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.89Å
170L98.4Very high98Very high1 Ų136.8 Ų36.81%0.00516%0.163CC..Hα-helixtrans-68.3-36.9178.5-65.2-179.2000111.3L166 G167 S173 I174 I191 V195 W216 M224L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.15Å; L166-L170 HydrophobicContact CD2-CD1 4.38Å; L166-L170 HydrophobicContact CG-CD1 3.96Å; L166-L170 HydrophobicContact CG-CG 4.25Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.19Å; G167-L170 PolarHBondContact O-N 3.33Å; L170-S173 PolarHBondContact O-N 2.97Å; L170-I174 WeakPolarHBondContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CG2 3.36Å; L170-I174 PolarHBondContact O-N 3.44Å; L170-I191 HydrophobicContact CB-CB 4.05Å; L170-I191 HydrophobicContact CB-CG1 4.43Å; L170-I191 HydrophobicContact CB-CG2 4.2Å; L170-V195 HydrophobicContact CD1-CG2 3.95Å; L170-W216 HydrophobicContact CD1-CH2 4.06Å; L170-W216 HydrophobicContact CD2-CH2 4.29Å; L170-W216 HydrophobicContact CD2-CZ3 4.32Å; L170-M224 HydrophobicContact CD2-CG 3.68Å; L170-M224 HydrophobicContact CD2-SD 3.72Å
171H98.1Very high97.8Very high85 Ų8536.6 Ų36.639%0.39418%0.181SC..Hα-helixtrans-63.9-43.6176.3179.3-86.3000112.6G167 L168 I174 Q175 I191G167-H171 WeakPolarHBondContact O-CB 3.43Å; G167-H171 PolarHBondContact O-N 3.36Å; L168-H171 PolarHBondContact O-N 3.1Å; H171-I174 WeakPolarHBondContact O-CG2 3.47Å; H171-Q175 PolarHBondContact CE1-NE2 3.01Å; H171-Q175 PolarHBondContact NE2-NE2 3.15Å; H171-Q175 WeakPolarHBondContact O-CG 3.45Å; H171-Q175 PolarHBondContact O-NE2 3.17Å; H171-I191 HydrophobicContact CB-CG1 4.21Å
172D98.4Very high97.7Very high2 Ų237.2 Ų37.21%0.01118%0.183CC..Hα-helixtrans-67.7-42.2173.2-81-54.9000111.1Y118 R127 L129 S130 T133 L168 I174 Q175Y118-D172 HydrophobicContact CE1-CB 4.15Å; Y118-D172 WeakPolarHBondContact CE1-O 3.3Å; R127-D172 IonicContact CZ-OD1 3.99Å; R127-D172 IonicContact CZ-OD2 3.23Å; R127-D172 IonicContact NH1-OD2 3.95Å; R127-D172 PolarHBondContact NH1-OD2 3.39Å; R127-D172 IonicContact NH2-OD1 2.71Å; R127-D172 PolarHBondContact NH2-OD1 3.13Å; R127-D172 IonicContact NH2-OD2 3.72Å; R127-D172 PolarHBondContact NH2-OD2 3.21Å; L129-D172 WeakPolarHBondContact CD2-OD2 3.42Å; L129-D172 WeakPolarHBondContact CG-OD2 3.32Å; S130-D172 WeakPolarHBondContact CB-OD1 3.38Å; S130-D172 PolarHBondContact OG-OD1 3.45Å; T133-D172 HydrophobicContact CG2-CB 3.86Å; L168-D172 PolarHBondContact O-N 3Å; D172-I174 PolarHBondContact O-N 2.98Å; D172-Q175 PolarHBondContact O-N 3.23Å
173S98.5Very high97.5Very high0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-64.9-35.1-177.2-62.80000113.3L169 L170 Q175 I176 P177 M224 W226L169-S173 WeakPolarHBondContact O-CB 3.42Å; L169-S173 PolarHBondContact O-N 2.77Å; L169-S173 PolarHBondContact O-OG 2.98Å; L170-S173 PolarHBondContact O-N 2.97Å; S173-Q175 VanDerWaalsContact C-N 3.3Å; S173-Q175 PolarHBondContact O-N 3.05Å; S173-I176 PolarHBondContact O-N 2.74Å; S173-P177 WeakPolarHBondContact O-CD 3.34Å; S173-M224 WeakPolarHBondContact CB-SD 3.16Å; S173-W226 WeakPolarHBondContact O-CZ2 3.41Å
174I97.9Very high97.2Very high0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-74.7-16.4179.6-157.866.4000113.2L170 H171 D172 I176 P177 R178 V183 F186 I191L170-I174 WeakPolarHBondContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CG2 3.36Å; L170-I174 PolarHBondContact O-N 3.44Å; H171-I174 WeakPolarHBondContact O-CG2 3.47Å; D172-I174 PolarHBondContact O-N 2.98Å; I174-I176 VanDerWaalsContact C-N 3.26Å; I174-I176 PolarHBondContact O-N 2.7Å; I174-P177 HydrophobicContact CD1-CG 4.05Å; I174-P177 VanDerWaalsContact O-CD 3.3Å; I174-P177 WeakPolarHBondContact O-CD 3.49Å; I174-P177 WeakPolarHBondContact O-CG 3.43Å; I174-R178 WeakPolarHBondContact O-CB 3.41Å; I174-R178 PolarHBondContact O-N 2.98Å; I174-R178 VanDerWaalsContact O-N 3.16Å; I174-V183 HydrophobicContact CD1-CG2 4.42Å; I174-V183 HydrophobicContact CG1-CG2 3.96Å; I174-F186 HydrophobicContact CD1-CB 3.68Å; I174-I191 HydrophobicContact CB-CG2 4.19Å; I174-I191 HydrophobicContact CG2-CG2 3.76Å
175Q98.4Very high96.8Very high18 Ų1831 Ų318%0.08418%0.181CC..Hα-helixtrans-65.4-32174.8-55.2-45.6-46.100112.1V117 Y118 H171 D172 S173 R178 Q179V117-Q175 HydrophobicContact CG1-CB 3.48Å; V117-Q175 VanDerWaalsContact CG1-CB 3.48Å; Y118-Q175 HydrophobicContact CD1-CB 4.17Å; Y118-Q175 HydrophobicContact CD1-CG 4.11Å; Y118-Q175 HydrophobicContact CE1-CB 3.96Å; Y118-Q175 HydrophobicContact CE1-CG 4.09Å; H171-Q175 PolarHBondContact CE1-NE2 3.01Å; H171-Q175 PolarHBondContact NE2-NE2 3.15Å; H171-Q175 WeakPolarHBondContact O-CG 3.45Å; H171-Q175 PolarHBondContact O-NE2 3.17Å; D172-Q175 PolarHBondContact O-N 3.23Å; S173-Q175 VanDerWaalsContact C-N 3.3Å; S173-Q175 PolarHBondContact O-N 3.05Å; Q175-R178 WeakPolarHBondContact O-CB 3.45Å; Q175-R178 PolarHBondContact O-N 2.73Å; Q175-Q179 PolarHBondContact O-N 3.23Å
176I98.5Very high96.6Very high1 Ų127.7 Ų27.71%0.00517%0.168CC..Hα-helixtrans-60.3-53.7-178.5-64.1169.4000111.9L44 W113 V117 S173 I174 W226L44-I176 HydrophobicContact CD1-CG2 4.11Å; L44-I176 HydrophobicContact CD2-CG2 3.58Å; W113-I176 HydrophobicContact CZ2-CG1 4.38Å; V117-I176 HydrophobicContact CG1-CG1 4.1Å; S173-I176 PolarHBondContact O-N 2.74Å; I174-I176 VanDerWaalsContact C-N 3.26Å; I174-I176 PolarHBondContact O-N 2.7Å; I176-W226 HydrophobicContact CB-CH2 4.23Å; I176-W226 HydrophobicContact CB-CZ2 4.41Å; I176-W226 HydrophobicContact CD1-CH2 3.77Å; I176-W226 HydrophobicContact CD1-CZ2 4.37Å; I176-W226 HydrophobicContact CG2-CH2 4.12Å; I176-W226 HydrophobicContact CG2-CZ3 4.09Å
177P97.5Very high96Very high0 Ų030.4 Ų30.40%020%0.196CC..Hα-helixtrans-72.5-2317228.8-36000113.7T40 S173 I174 L180 E182 F186 W226T40-P177 HydrophobicContact CG2-CB 3.97Å; S173-P177 WeakPolarHBondContact O-CD 3.34Å; I174-P177 HydrophobicContact CD1-CG 4.05Å; I174-P177 VanDerWaalsContact O-CD 3.3Å; I174-P177 WeakPolarHBondContact O-CD 3.49Å; I174-P177 WeakPolarHBondContact O-CG 3.43Å; P177-L180 PolarHBondContact O-N 2.79Å; P177-E182 PolarHBondContact O-N 3.14Å; P177-F186 HydrophobicContact CB-CD2 3.58Å; P177-F186 HydrophobicContact CB-CE2 3.68Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.07Å; P177-W226 HydrophobicContact CG-CG 4.47Å
178R97Very high95.6Very high108 Ų10831 Ų3141%0.40820%0.202SC..Hα-helixtrans-63.9-42.7173.1-179.4173.7170.6-91.4-7.6112.2I174 Q175 L180 G181 V183I174-R178 WeakPolarHBondContact O-CB 3.41Å; I174-R178 PolarHBondContact O-N 2.98Å; I174-R178 VanDerWaalsContact O-N 3.16Å; Q175-R178 WeakPolarHBondContact O-CB 3.45Å; Q175-R178 PolarHBondContact O-N 2.73Å; R178-L180 PolarHBondContact O-N 3.38Å; R178-G181 PolarHBondContact O-N 3.48Å; R178-V183 HydrophobicContact CB-CB 3.88Å; R178-V183 HydrophobicContact CB-CG1 4.19Å; R178-V183 HydrophobicContact CB-CG2 4.26Å; R178-V183 HydrophobicContact CG-CB 4.29Å; R178-V183 HydrophobicContact CG-CG1 4.05Å
179Q96.9Very high95.1Very high54 Ų5432.4 Ų32.425%0.25222%0.216SC..THydrogen-bonded Turntrans-67.3-14.7176.8-174.852.426.400113.6N116 V117 Q175N116-Q179 HydrophobicContact CB-CG 4.1Å; N116-Q179 PolarHBondContact O-OE1 3.3Å; V117-Q179 HydrophobicContact CG2-CB 3.86Å; V117-Q179 HydrophobicContact CG2-CG 3.95Å; Q175-Q179 PolarHBondContact O-N 3.23Å
180L95.9Very high94.8Very high23 Ų2336.7 Ų36.712%0.1224%0.239CC..THydrogen-bonded Turntrans-91-0.1170.6-64.8-179.2000113.9Y24 L27 T40 K43 L44 P177 R178 E182Y24-L180 HydrophobicContact CE1-CD2 4.18Å; L27-L180 HydrophobicContact CD1-CD2 3.61Å; T40-L180 HydrophobicContact CG2-CD1 3.98Å; K43-L180 HydrophobicContact CB-CD1 3.82Å; K43-L180 HydrophobicContact CB-CD2 4.46Å; L44-L180 HydrophobicContact CD2-CD1 3.59Å; L44-L180 HydrophobicContact CD2-CG 4.49Å; L44-L180 HydrophobicContact CG-CD1 3.66Å; P177-L180 PolarHBondContact O-N 2.79Å; R178-L180 PolarHBondContact O-N 3.38Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 HydrophobicContact CB-CG 4.02Å; L180-E182 PolarHBondContact O-N 2.92Å
181G95.3Very high94.5Very high67 Ų6737 Ų3769%0.69124%0.24SC*.THydrogen-bonded Turntrans75.410.5-174.300000114.5R178R178-G181 PolarHBondContact O-N 3.48Å
182E95.7Very high94.4Very high12 Ų1237 Ų376%0.05624%0.24CC..  trans-100.9-4.7-168.2-60.4-80.4-175.500113.7R39 T40 K43 P177 L180 A184 S185 F186R39-E182 WeakPolarHBondContact CD-OE1 3.38Å; R39-E182 WeakPolarHBondContact CG-OE1 3.45Å; R39-E182 IonicContact CZ-OE1 3.91Å; R39-E182 IonicContact CZ-OE2 3.4Å; R39-E182 VanDerWaalsContact CZ-OE2 3.29Å; R39-E182 VanDerWaalsContact NE-CD 3.3Å; R39-E182 IonicContact NE-OE1 2.68Å; R39-E182 PolarHBondContact NE-OE1 3.18Å; R39-E182 IonicContact NE-OE2 3.64Å; R39-E182 PolarHBondContact NE-OE2 3.29Å; R39-E182 IonicContact NH2-OE1 3.54Å; R39-E182 IonicContact NH2-OE2 3.22Å; R39-E182 PolarHBondContact NH2-OE2 3.22Å; T40-E182 HydrophobicContact CG2-CB 4.29Å; T40-E182 HydrophobicContact CG2-CG 4.36Å; T40-E182 WeakPolarHBondContact OG1-CB 3.48Å; T40-E182 WeakPolarHBondContact OG1-CG 3.44Å; K43-E182 IonicContact NZ-OE1 3.26Å; K43-E182 PolarHBondContact NZ-OE1 3.14Å; P177-E182 PolarHBondContact O-N 3.14Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 HydrophobicContact CB-CG 4.02Å; L180-E182 PolarHBondContact O-N 2.92Å; E182-A184 PolarHBondContact O-N 3.45Å; E182-S185 VanDerWaalsContact O-CB 3.26Å; E182-S185 WeakPolarHBondContact O-CB 3.3Å; E182-S185 PolarHBondContact O-N 2.89Å; E182-F186 HydrophobicContact CB-CD2 4.41Å; E182-F186 HydrophobicContact CB-CE2 3.78Å; E182-F186 WeakPolarHBondContact O-CD2 3.28Å
183V94.5Very high94.2Very high28 Ų2839.9 Ų39.917%0.1726%0.259CS..G310 helixtrans-51.3-32.2-171.159.10000115.6I174 R178 S185 F186 G188I174-V183 HydrophobicContact CD1-CG2 4.42Å; I174-V183 HydrophobicContact CG1-CG2 3.96Å; R178-V183 HydrophobicContact CB-CB 3.88Å; R178-V183 HydrophobicContact CB-CG1 4.19Å; R178-V183 HydrophobicContact CB-CG2 4.26Å; R178-V183 HydrophobicContact CG-CB 4.29Å; R178-V183 HydrophobicContact CG-CG1 4.05Å; V183-S185 PolarHBondContact O-N 3.16Å; V183-S185 VanDerWaalsContact O-N 3.14Å; V183-F186 PolarHBondContact O-N 3.39Å; V183-G188 VanDerWaalsContact CG2-O 3.3Å; V183-G188 WeakPolarHBondContact CG2-O 3.46Å; V183-G188 PolarHBondContact O-N 3.33Å; V183-G188 VanDerWaalsContact O-N 3.14Å
184A90.5Very high94.1Very high91 Ų9140.6 Ų40.675%0.75227%0.265SS*.G310 helixtrans-58.7-25.7174.800000113E182 F186E182-A184 PolarHBondContact O-N 3.45Å; A184-F186 VanDerWaalsContact C-N 3.29Å; A184-F186 PolarHBondContact O-N 3.24Å
185S90.4Very high94.1Very high32 Ų3241 Ų4122%0.22427%0.267CS..G310 helixtrans-78.1-10.1175.2-61.90000114.5S36 E182 V183 Q222S36-S185 VanDerWaalsContact CB-CB 3.41Å; S36-S185 WeakPolarHBondContact CB-OG 3.47Å; S36-S185 WeakPolarHBondContact OG-CB 3.45Å; S36-S185 PolarHBondContact OG-OG 3.38Å; E182-S185 VanDerWaalsContact O-CB 3.26Å; E182-S185 WeakPolarHBondContact O-CB 3.3Å; E182-S185 PolarHBondContact O-N 2.89Å; V183-S185 PolarHBondContact O-N 3.16Å; V183-S185 VanDerWaalsContact O-N 3.14Å; S185-Q222 PolarHBondContact O-NE2 2.9Å
186F93Very high94Very high1 Ų146.3 Ų46.30%0.00429%0.286CS..G310 helixtrans-118.418.8-171.4-58-69.3000112.7A37 T40 I174 P177 E182 V183 A184 Q222 S223 V225 W226A37-F186 HydrophobicContact CB-CE1 4.27Å; T40-F186 HydrophobicContact CG2-CE2 3.79Å; T40-F186 HydrophobicContact CG2-CZ 3.84Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.28Å; T40-F186 VanDerWaalsContact OG1-CZ 3.29Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.44Å; I174-F186 HydrophobicContact CD1-CB 3.68Å; P177-F186 HydrophobicContact CB-CD2 3.58Å; P177-F186 HydrophobicContact CB-CE2 3.68Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.07Å; E182-F186 HydrophobicContact CB-CD2 4.41Å; E182-F186 HydrophobicContact CB-CE2 3.78Å; E182-F186 WeakPolarHBondContact O-CD2 3.28Å; V183-F186 PolarHBondContact O-N 3.39Å; A184-F186 VanDerWaalsContact C-N 3.29Å; A184-F186 PolarHBondContact O-N 3.24Å; F186-Q222 VanDerWaalsContact CA-O 3.27Å; F186-Q222 WeakPolarHBondContact CA-O 3.03Å; F186-Q222 WeakPolarHBondContact CB-O 3.37Å; F186-Q222 VanDerWaalsContact CD1-O 3.3Å; F186-Q222 WeakPolarHBondContact CD1-O 3.47Å; F186-Q222 CarbonylContact O-C 3.57Å; F186-S223 VanDerWaalsContact O-CA 3.24Å; F186-S223 WeakPolarHBondContact O-CA 3.32Å; F186-S223 PolarHBondContact O-N 2.87Å; F186-V225 HydrophobicContact CD1-CG1 3.88Å; F186-V225 HydrophobicContact CE1-CG1 3.88Å; F186-W226 HydrophobicContact CD1-CB 4.41Å; F186-W226 HydrophobicContact CE1-CB 3.74Å; F186-W226 HydrophobicContact CE1-CG 4.41Å; F186-W226 HydrophobicContact CZ-CB 3.87Å
187G86.4Confident93.9Very high56 Ų5648.8 Ų48.858%0.57730%0.303SS*.THydrogen-bonded Turntrans99-0.2179.400000115
188G89.9Confident93.8Very high23 Ų2348.8 Ų48.824%0.23730%0.303CS..  trans88.4-173.9-173.100000112.4V183V183-G188 VanDerWaalsContact CG2-O 3.3Å; V183-G188 WeakPolarHBondContact CG2-O 3.46Å; V183-G188 PolarHBondContact O-N 3.33Å; V183-G188 VanDerWaalsContact O-N 3.14Å
189S87.3Confident93.9Very high76 Ų7643.8 Ų43.853%0.53129%0.285SS..SBendtrans-82.6-16.2179.448.70000113.7
190N91.4Very high93.8Very high92 Ų9247.3 Ų47.349%0.49230%0.301SS..  trans-78119.6173.9-175.5-83.8000108.8E192 P193N190-E192 PolarHBondContact ND2-OE2 2.58Å; N190-E192 VanDerWaalsContact ND2-OE2 3.09Å; N190-E192 PolarHBondContact OD1-OE2 2.98Å; N190-P193 WeakPolarHBondContact OD1-CD 3.39Å
191I93.8Very high93.7Very high8 Ų850.7 Ų50.74%0.04132%0.315CS..  trans-100.4-8.2-172.754.369.1000112.7L170 H171 I174 S194 V195L170-I191 HydrophobicContact CB-CB 4.05Å; L170-I191 HydrophobicContact CB-CG1 4.43Å; L170-I191 HydrophobicContact CB-CG2 4.2Å; H171-I191 HydrophobicContact CB-CG1 4.21Å; I174-I191 HydrophobicContact CB-CG2 4.19Å; I174-I191 HydrophobicContact CG2-CG2 3.76Å; I191-S194 WeakPolarHBondContact O-CA 3.42Å; I191-S194 VanDerWaalsContact O-CB 3.29Å; I191-S194 WeakPolarHBondContact O-CB 3.34Å; I191-S194 PolarHBondContact O-N 3.48Å; I191-V195 HydrophobicContact CD1-CG2 3.82Å; I191-V195 PolarHBondContact O-N 2.9Å
192E94.9Very high93.7Very high84 Ų8447.7 Ų47.739%0.39328%0.284SS..Hα-helixtrans-61.2-38.5-173.7-69.364-150.100113N190 S194 V195 R196N190-E192 PolarHBondContact ND2-OE2 2.58Å; N190-E192 VanDerWaalsContact ND2-OE2 3.09Å; N190-E192 PolarHBondContact OD1-OE2 2.98Å; E192-S194 VanDerWaalsContact C-N 3.27Å; E192-S194 PolarHBondContact O-N 3.26Å; E192-V195 PolarHBondContact O-N 2.8Å; E192-R196 WeakPolarHBondContact O-CB 3.27Å; E192-R196 WeakPolarHBondContact O-CG 3.45Å; E192-R196 PolarHBondContact O-N 3.04Å
193P95Very high93.6Very high63 Ų6353.5 Ų53.541%0.40932%0.315SS..Hα-helixtrans-58-35.3168.4-26.632.7000113.9N190 S197N190-P193 WeakPolarHBondContact OD1-CD 3.39Å; P193-S197 VanDerWaalsContact O-CB 3.26Å; P193-S197 WeakPolarHBondContact O-CB 3.18Å; P193-S197 PolarHBondContact O-N 2.88Å
194S95.3Very high93.7Very high16 Ų1658 Ų5811%0.11234%0.339CS..Hα-helixtrans-73.7-40.3177.3-63.60000111.5I191 E192 S197 C198 W216 S223I191-S194 WeakPolarHBondContact O-CA 3.42Å; I191-S194 VanDerWaalsContact O-CB 3.29Å; I191-S194 WeakPolarHBondContact O-CB 3.34Å; I191-S194 PolarHBondContact O-N 3.48Å; E192-S194 VanDerWaalsContact C-N 3.27Å; E192-S194 PolarHBondContact O-N 3.26Å; S194-S197 PolarHBondContact O-N 2.92Å; S194-C198 PolarHBondContact O-N 3.01Å; S194-W216 WeakPolarHBondContact O-CZ2 3.33Å; S194-S223 VanDerWaalsContact CB-OG 3.25Å; S194-S223 WeakPolarHBondContact CB-OG 3.32Å; S194-S223 WeakPolarHBondContact OG-CB 3.39Å; S194-S223 PolarHBondContact OG-OG 2.85Å
195V97.8Very high93.9Very high8 Ų859.4 Ų59.45%0.04833%0.328CS..Hα-helixtrans-60.2-51.7172177.40000110.2Q163 L166 L170 I191 E192 S197 C198 F199Q163-V195 HydrophobicContact CB-CG1 3.69Å; Q163-V195 HydrophobicContact CG-CG1 3.88Å; Q163-V195 WeakPolarHBondContact O-CG1 3.49Å; L166-V195 HydrophobicContact CG-CG2 4.42Å; L170-V195 HydrophobicContact CD1-CG2 3.95Å; I191-V195 HydrophobicContact CD1-CG2 3.82Å; I191-V195 PolarHBondContact O-N 2.9Å; E192-V195 PolarHBondContact O-N 2.8Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.01Å; V195-C198 PolarHBondContact O-N 3.04Å; V195-C198 VanDerWaalsContact O-N 3.14Å; V195-F199 HydrophobicContact CG1-CD2 4.14Å; V195-F199 HydrophobicContact CG1-CE2 4.4Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 2.92Å
196R96.6Very high94.2Very high130 Ų13063.1 Ų63.149%0.49135%0.351SS..Hα-helixtrans-57.5-42.4176.7-71-169.4-60.7-95.46.6111.9E192 C198 F199 Q200E192-R196 WeakPolarHBondContact O-CB 3.27Å; E192-R196 WeakPolarHBondContact O-CG 3.45Å; E192-R196 PolarHBondContact O-N 3.04Å; R196-C198 PolarHBondContact O-N 2.74Å; R196-F199 PolarHBondContact O-N 3.15Å; R196-Q200 WeakPolarHBondContact O-CB 3.35Å; R196-Q200 WeakPolarHBondContact O-CG 3.3Å; R196-Q200 PolarHBondContact O-N 3.2Å
197S96.2Very high94.4Very high52 Ų5266.9 Ų66.936%0.36437%0.368SS..Hα-helixtrans-60.3-43.3175.8176.60000112.8P193 S194 V195 F201P193-S197 VanDerWaalsContact O-CB 3.26Å; P193-S197 WeakPolarHBondContact O-CB 3.18Å; P193-S197 PolarHBondContact O-N 2.88Å; S194-S197 PolarHBondContact O-N 2.92Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.01Å; S197-F201 WeakPolarHBondContact O-CB 3.42Å; S197-F201 PolarHBondContact O-N 2.88Å
198C96.7Very high94.9Very high0 Ų064.3 Ų64.30%034%0.341CS..Hα-helixtrans-64.4-42.3176.9-169.40000112L166 S194 V195 R196 F201 A202 W216L166-C198 HydrophobicContact CD2-CB 3.5Å; L166-C198 VanDerWaalsContact CD2-CB 3.5Å; S194-C198 PolarHBondContact O-N 3.01Å; V195-C198 PolarHBondContact O-N 3.04Å; V195-C198 VanDerWaalsContact O-N 3.14Å; R196-C198 PolarHBondContact O-N 2.74Å; C198-F201 WeakPolarHBondContact O-CB 3.27Å; C198-F201 PolarHBondContact O-N 3.22Å; C198-A202 PolarHBondContact O-N 2.84Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.06Å; C198-W216 HydrophobicContact CB-CG 4.11Å; C198-W216 HydrophobicContact CB-CH2 4.18Å; C198-W216 HydrophobicContact CB-CZ2 3.79Å; C198-W216 HydrophobicContact CB-CZ3 4.3Å
199F97.9Very high95.3Very high4 Ų468.3 Ų68.32%0.01835%0.354CS..Hα-helixtrans-76.1-30.6-179-82.9-103.4000113.3C161 Q163 L166 V195 R196 A202 N203 N204 K205 P206 I208C161-F199 WeakPolarHBondContact O-CZ 3.45Å; Q163-F199 HydrophobicContact CB-CE2 4.37Å; Q163-F199 HydrophobicContact CB-CZ 4.36Å; Q163-F199 HydrophobicContact CG-CB 4.36Å; Q163-F199 HydrophobicContact CG-CD1 3.5Å; Q163-F199 VanDerWaalsContact CG-CD1 3.5Å; Q163-F199 HydrophobicContact CG-CD2 3.68Å; Q163-F199 HydrophobicContact CG-CE1 3.61Å; Q163-F199 HydrophobicContact CG-CE2 3.77Å; Q163-F199 HydrophobicContact CG-CG 3.54Å; Q163-F199 HydrophobicContact CG-CZ 3.75Å; L166-F199 HydrophobicContact CB-CE2 4.16Å; L166-F199 HydrophobicContact CD2-CD2 4.05Å; L166-F199 HydrophobicContact CD2-CE2 3.7Å; V195-F199 HydrophobicContact CG1-CD2 4.14Å; V195-F199 HydrophobicContact CG1-CE2 4.4Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 2.92Å; R196-F199 PolarHBondContact O-N 3.15Å; F199-A202 CarbonylContact O-C 3.59Å; F199-A202 WeakPolarHBondContact O-CA 3.22Å; F199-A202 WeakPolarHBondContact O-CB 3.26Å; F199-A202 PolarHBondContact O-N 3.12Å; F199-N203 PolarHBondContact O-N 3.18Å; F199-N204 WeakPolarHBondContact O-CA 3.22Å; F199-N204 PolarHBondContact O-N 3.25Å; F199-K205 VanDerWaalsContact CD1-O 3.23Å; F199-K205 WeakPolarHBondContact CD1-O 3.32Å; F199-P206 WeakPolarHBondContact CE1-O 3.37Å; F199-I208 HydrophobicContact CD1-CG2 4.4Å; F199-I208 HydrophobicContact CE1-CG2 4Å; F199-I208 HydrophobicContact CE2-CD1 4.16Å; F199-I208 HydrophobicContact CE2-CG1 4.43Å; F199-I208 HydrophobicContact CE2-CG2 4.41Å; F199-I208 HydrophobicContact CZ-CD1 4.38Å; F199-I208 HydrophobicContact CZ-CG1 4.15Å; F199-I208 HydrophobicContact CZ-CG2 4.01Å
200Q95.9Very high95.8Very high127 Ų12766.1 Ų66.159%0.59334%0.34SS*.Hα-helixtrans-64.1-43.7166.8-74.7169.1-1100111.3R196 A202 N203R196-Q200 WeakPolarHBondContact O-CB 3.35Å; R196-Q200 WeakPolarHBondContact O-CG 3.3Å; R196-Q200 PolarHBondContact O-N 3.2Å; Q200-A202 PolarHBondContact O-N 2.79Å; Q200-N203 WeakPolarHBondContact O-CA 3.48Å; Q200-N203 PolarHBondContact O-N 2.94Å
201F92.5Very high96.1Very high95 Ų9564.4 Ų64.442%0.41734%0.339SS..Hα-helixtrans-61.4-32.1171.5175.4-100.1000112.2S197 C198 N203 L212 D215 W216 L219S197-F201 WeakPolarHBondContact O-CB 3.42Å; S197-F201 PolarHBondContact O-N 2.88Å; C198-F201 WeakPolarHBondContact O-CB 3.27Å; C198-F201 PolarHBondContact O-N 3.22Å; F201-N203 PolarHBondContact O-N 3.41Å; F201-L212 HydrophobicContact CD1-CD2 3.88Å; F201-L212 HydrophobicContact CE1-CD2 4.12Å; F201-D215 HydrophobicContact CE1-CB 4.17Å; F201-D215 HydrophobicContact CZ-CB 4.13Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.28Å; F201-W216 HydrophobicContact CE1-CB 3.87Å; F201-L219 HydrophobicContact CD2-CD1 3.95Å; F201-L219 HydrophobicContact CE2-CD1 3.8Å; F201-L219 HydrophobicContact CZ-CD1 4.35Å
202A94.9Very high96.3Very high4 Ų465.9 Ų65.93%0.03335%0.347CS..THydrogen-bonded Turntrans-73.97.6171.500000115C198 F199 Q200 N204 K205 I208 L212C198-A202 PolarHBondContact O-N 2.84Å; F199-A202 CarbonylContact O-C 3.59Å; F199-A202 WeakPolarHBondContact O-CA 3.22Å; F199-A202 WeakPolarHBondContact O-CB 3.26Å; F199-A202 PolarHBondContact O-N 3.12Å; Q200-A202 PolarHBondContact O-N 2.79Å; A202-N204 VanDerWaalsContact C-N 3.3Å; A202-N204 PolarHBondContact O-N 3.22Å; A202-K205 WeakPolarHBondContact O-CG 3.42Å; A202-I208 HydrophobicContact CB-CG2 3.52Å; A202-L212 HydrophobicContact CB-CD1 3.8Å; A202-L212 HydrophobicContact CB-CD2 3.65Å; A202-L212 HydrophobicContact CB-CG 4.4Å
203N95.6Very high96.5Very high134 Ų13462 Ų6272%0.71733%0.329SS*.THydrogen-bonded Turntrans56.341.5-173.2-163.680.5000112.7F199 Q200 F201 K205F199-N203 PolarHBondContact O-N 3.18Å; Q200-N203 WeakPolarHBondContact O-CA 3.48Å; Q200-N203 PolarHBondContact O-N 2.94Å; F201-N203 PolarHBondContact O-N 3.41Å; N203-K205 PolarHBondContact O-N 3.1Å
204N94.8Very high96.5Very high123 Ų12359.2 Ų59.266%0.65831%0.31SS*.THydrogen-bonded Turntrans56.928.3176.7-51.5-58.4000115.2F199 A202F199-N204 WeakPolarHBondContact O-CA 3.22Å; F199-N204 PolarHBondContact O-N 3.25Å; A202-N204 VanDerWaalsContact C-N 3.3Å; A202-N204 PolarHBondContact O-N 3.22Å
205K95.3Very high96.4Very high120 Ų12061.9 Ų61.952%0.52232%0.324SS..  trans-59.9146.8167.5-71.6175.6179.4-175.80110.7F199 A202 N203 E207F199-K205 VanDerWaalsContact CD1-O 3.23Å; F199-K205 WeakPolarHBondContact CD1-O 3.32Å; A202-K205 WeakPolarHBondContact O-CG 3.42Å; N203-K205 PolarHBondContact O-N 3.1Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 PolarHBondContact O-N 3.04Å
206P96.1Very high96.3Very high109 Ų10961.7 Ų61.771%0.70832%0.322SS*.SBendtrans-69.5-25.6-179.428.7-35.7000113.4F199F199-P206 WeakPolarHBondContact CE1-O 3.37Å
207E97.8Very high96.1Very high80 Ų8055.7 Ų55.737%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-138.7156.5177.6-61-172.1113.600110.8F160 C161 D162 K205F160-E207 HydrophobicContact CB-CB 4.13Å; F160-E207 HydrophobicContact CD1-CB 4.35Å; C161-E207 CarbonylContact O-C 3.58Å; C161-E207 WeakPolarHBondContact O-CA 2.78Å; D162-E207 HydrophobicContact CB-CG 4.38Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 PolarHBondContact O-N 3.04Å
208I98.3Very high95.7Very high2 Ų260.1 Ų60.11%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-123.2155.1176.366.6174.8000111.8F151 F160 C161 L166 F199 A202 L212 F213F151-I208 HydrophobicContact CE2-CD1 4.22Å; F151-I208 HydrophobicContact CE2-CG1 4.09Å; F151-I208 HydrophobicContact CZ-CG1 4.38Å; F160-I208 CarbonylContact C-O 3.51Å; C161-I208 HydrophobicContact CB-CG1 4.04Å; C161-I208 PolarHBondContact N-O 3.11Å; C161-I208 PolarHBondContact O-N 3.18Å; L166-I208 HydrophobicContact CD2-CD1 4.37Å; F199-I208 HydrophobicContact CD1-CG2 4.4Å; F199-I208 HydrophobicContact CE1-CG2 4Å; F199-I208 HydrophobicContact CE2-CD1 4.16Å; F199-I208 HydrophobicContact CE2-CG1 4.43Å; F199-I208 HydrophobicContact CE2-CG2 4.41Å; F199-I208 HydrophobicContact CZ-CD1 4.38Å; F199-I208 HydrophobicContact CZ-CG1 4.15Å; F199-I208 HydrophobicContact CZ-CG2 4.01Å; A202-I208 HydrophobicContact CB-CG2 3.52Å; I208-L212 HydrophobicContact CB-CD2 4.33Å; I208-L212 HydrophobicContact CG2-CD1 4.44Å; I208-L212 HydrophobicContact CG2-CD2 4.04Å; I208-F213 HydrophobicContact CD1-CB 4.24Å
209E98.1Very high95.3Very high107 Ų10765.6 Ų65.650%0.534%0.337SS..EExtended strand (participates in β ladder)trans-101.5164.8172.6-67.1177-174.700111.5F151 F160 A211 L212 F213F151-E209 VanDerWaalsContact CZ-C 3.46Å; F160-E209 HydrophobicContact CD1-CG 3.9Å; F160-E209 HydrophobicContact CE1-CG 3.6Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.06Å; F160-E209 HydrophobicContact CZ-CG 4.38Å; E209-A211 VanDerWaalsContact C-N 3.25Å; E209-A211 PolarHBondContact O-N 3.3Å; E209-L212 PolarHBondContact O-N 3.33Å; E209-L212 VanDerWaalsContact O-N 3.1Å; E209-F213 PolarHBondContact O-N 2.98Å; E209-F213 VanDerWaalsContact O-N 3.11Å
210A97.8Very high94.9Very high30 Ų3067.5 Ų67.525%0.24835%0.346CS..Hα-helixtrans-55.4-36-179.700000113.7F151 F213 L214F151-A210 HydrophobicContact CD1-CB 3.6Å; F151-A210 HydrophobicContact CE1-CB 3.71Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.33Å; F151-A210 HydrophobicContact CZ-CB 4.49Å; A210-F213 PolarHBondContact O-N 2.87Å; A210-L214 VanDerWaalsContact O-CG 3.22Å; A210-L214 WeakPolarHBondContact O-CG 3.34Å; A210-L214 PolarHBondContact O-N 3.07Å
211A97.4Very high94.7Very high57 Ų5762.2 Ų62.247%0.47132%0.322SS..Hα-helixtrans-61.5-46.1177.100000112.3E209 L214 D215E209-A211 VanDerWaalsContact C-N 3.25Å; E209-A211 PolarHBondContact O-N 3.3Å; A211-L214 WeakPolarHBondContact O-CB 3.34Å; A211-L214 PolarHBondContact O-N 2.89Å; A211-D215 PolarHBondContact O-N 3.27Å
212L97.8Very high94.5Very high38 Ų3860 Ų6020%0.19931%0.314CS..Hα-helixtrans-67.4-41.6179.7-163.8158.9000111.1F201 A202 I208 E209 L214 D215 W216F201-L212 HydrophobicContact CD1-CD2 3.88Å; F201-L212 HydrophobicContact CE1-CD2 4.12Å; A202-L212 HydrophobicContact CB-CD1 3.8Å; A202-L212 HydrophobicContact CB-CD2 3.65Å; A202-L212 HydrophobicContact CB-CG 4.4Å; I208-L212 HydrophobicContact CB-CD2 4.33Å; I208-L212 HydrophobicContact CG2-CD1 4.44Å; I208-L212 HydrophobicContact CG2-CD2 4.04Å; E209-L212 PolarHBondContact O-N 3.33Å; E209-L212 VanDerWaalsContact O-N 3.1Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 2.98Å; L212-D215 PolarHBondContact O-N 3.49Å; L212-W216 PolarHBondContact O-N 2.98Å
213F98.1Very high94.5Very high3 Ų360 Ų601%0.01331%0.313CS..Hα-helixtrans-57.6-42.9172.6173.1-107.3000112F151 L166 L169 I208 E209 A210 W216 M217F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.9Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.52Å; F151-F213 HydrophobicContact CD2-CD1 3.52Å; F151-F213 AromaticContact CD2-CD2 4Å; F151-F213 HydrophobicContact CD2-CD2 4Å; F151-F213 HydrophobicContact CD2-CE1 4.17Å; F151-F213 AromaticContact CD2-CG 3.41Å; F151-F213 HydrophobicContact CD2-CG 3.41Å; F151-F213 VanDerWaalsContact CD2-CG 3.41Å; F151-F213 HydrophobicContact CE2-CB 3.6Å; F151-F213 HydrophobicContact CE2-CD1 4.42Å; F151-F213 HydrophobicContact CE2-CD2 4.45Å; F151-F213 AromaticContact CE2-CG 3.93Å; F151-F213 HydrophobicContact CE2-CG 3.93Å; F151-F213 HydrophobicContact CG-CB 4.45Å; F151-F213 AromaticContact CG-CD1 3.93Å; F151-F213 HydrophobicContact CG-CD1 3.93Å; F151-F213 HydrophobicContact CG-CE1 4.47Å; F151-F213 HydrophobicContact CG-CG 4.26Å; L166-F213 HydrophobicContact CD1-CD2 3.97Å; L166-F213 HydrophobicContact CD1-CE2 3.75Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.89Å; I208-F213 HydrophobicContact CD1-CB 4.24Å; E209-F213 PolarHBondContact O-N 2.98Å; E209-F213 VanDerWaalsContact O-N 3.11Å; A210-F213 PolarHBondContact O-N 2.87Å; F213-W216 HydrophobicContact CD2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CZ3 4.14Å; F213-W216 PolarHBondContact O-N 3.04Å; F213-M217 HydrophobicContact CD1-CG 4.27Å; F213-M217 HydrophobicContact CD2-CG 4.08Å; F213-M217 HydrophobicContact CE1-CG 3.92Å; F213-M217 HydrophobicContact CE2-CG 3.7Å; F213-M217 HydrophobicContact CE2-SD 3.85Å; F213-M217 HydrophobicContact CG-CG 4.36Å; F213-M217 HydrophobicContact CZ-CE 4.22Å; F213-M217 HydrophobicContact CZ-CG 3.61Å; F213-M217 HydrophobicContact CZ-SD 3.86Å; F213-M217 WeakPolarHBondContact O-CB 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.43Å; F213-M217 PolarHBondContact O-N 3.41Å
214L95.8Very high94.5Very high4 Ų453.8 Ų53.82%0.02128%0.279CS..Hα-helixtrans-63.7-40.9176-71.3173.8000112.7E144 Y147 R148 A210 A211 L212 M217 R218E144-L214 HydrophobicContact CG-CD1 3.86Å; E144-L214 HydrophobicContact CG-CD2 3.77Å; E144-L214 HydrophobicContact CG-CG 4.42Å; Y147-L214 VanDerWaalsContact CB-CD2 3.42Å; Y147-L214 HydrophobicContact CD2-CD2 3.81Å; Y147-L214 HydrophobicContact CG-CD2 4.14Å; R148-L214 HydrophobicContact CG-CD1 3.83Å; R148-L214 HydrophobicContact CG-CD2 4.4Å; A210-L214 VanDerWaalsContact O-CG 3.22Å; A210-L214 WeakPolarHBondContact O-CG 3.34Å; A210-L214 PolarHBondContact O-N 3.07Å; A211-L214 WeakPolarHBondContact O-CB 3.34Å; A211-L214 PolarHBondContact O-N 2.89Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 2.98Å; L214-M217 PolarHBondContact O-N 2.95Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.29Å; L214-R218 PolarHBondContact O-N 2.99Å
215D93.5Very high94.5Very high73 Ų7347.9 Ų47.939%0.3925%0.248SC..Hα-helixtrans-66.9-34.4176-76.3-34.6000112.9F201 A211 L212 R218F201-D215 HydrophobicContact CE1-CB 4.17Å; F201-D215 HydrophobicContact CZ-CB 4.13Å; A211-D215 PolarHBondContact O-N 3.27Å; L212-D215 PolarHBondContact O-N 3.49Å; D215-R218 IonicContact OD1-CZ 3.69Å; D215-R218 IonicContact OD1-NE 2.85Å; D215-R218 IonicContact OD1-NH1 3.65Å; D215-R218 PolarHBondContact OD1-NH1 3.21Å
216W95.4Very high94.6Very high4 Ų442.2 Ų42.22%0.01522%0.223CC..Hα-helixtrans-65.9-44.8169.4-179.669.9000111.8L170 S194 C198 F201 L212 F213 R218 L219 P221L170-W216 HydrophobicContact CD1-CH2 4.06Å; L170-W216 HydrophobicContact CD2-CH2 4.29Å; L170-W216 HydrophobicContact CD2-CZ3 4.32Å; S194-W216 WeakPolarHBondContact O-CZ2 3.33Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.06Å; C198-W216 HydrophobicContact CB-CG 4.11Å; C198-W216 HydrophobicContact CB-CH2 4.18Å; C198-W216 HydrophobicContact CB-CZ2 3.79Å; C198-W216 HydrophobicContact CB-CZ3 4.3Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.28Å; F201-W216 HydrophobicContact CE1-CB 3.87Å; L212-W216 PolarHBondContact O-N 2.98Å; F213-W216 HydrophobicContact CD2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CZ3 4.14Å; F213-W216 PolarHBondContact O-N 3.04Å; W216-R218 VanDerWaalsContact C-N 3.25Å; W216-R218 PolarHBondContact O-N 3.25Å; W216-L219 VanDerWaalsContact O-CB 3.27Å; W216-L219 WeakPolarHBondContact O-CB 3.33Å; W216-L219 PolarHBondContact O-N 3.11Å; W216-P221 HydrophobicContact CD2-CB 4.37Å; W216-P221 HydrophobicContact CD2-CG 3.99Å; W216-P221 HydrophobicContact CE3-CG 3.96Å; W216-P221 HydrophobicContact CH2-CB 3.81Å; W216-P221 HydrophobicContact CH2-CG 3.7Å; W216-P221 HydrophobicContact CZ2-CB 3.42Å; W216-P221 VanDerWaalsContact CZ2-CB 3.42Å; W216-P221 HydrophobicContact CZ2-CG 3.72Å; W216-P221 HydrophobicContact CZ3-CB 4.42Å; W216-P221 HydrophobicContact CZ3-CG 3.82Å
217M92.8Very high94.7Very high3 Ų337 Ų372%0.01519%0.19CC..Hα-helixtrans-67-24179.3-67.1-69.3-72.900113.2Y147 F213 L214 L219 E220 P221 M224Y147-M217 HydrophobicContact CD1-CE 3.71Å; Y147-M217 HydrophobicContact CD2-CB 3.82Å; Y147-M217 HydrophobicContact CD2-CE 4.41Å; Y147-M217 HydrophobicContact CD2-CG 4.36Å; Y147-M217 HydrophobicContact CE1-CE 3.26Å; Y147-M217 HydrophobicContact CE2-CB 3.55Å; Y147-M217 HydrophobicContact CE2-CE 4.04Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.26Å; Y147-M217 VanDerWaalsContact CZ-CE 3.42Å; F213-M217 HydrophobicContact CD1-CG 4.27Å; F213-M217 HydrophobicContact CD2-CG 4.08Å; F213-M217 HydrophobicContact CE1-CG 3.92Å; F213-M217 HydrophobicContact CE2-CG 3.7Å; F213-M217 HydrophobicContact CE2-SD 3.85Å; F213-M217 HydrophobicContact CG-CG 4.36Å; F213-M217 HydrophobicContact CZ-CE 4.22Å; F213-M217 HydrophobicContact CZ-CG 3.61Å; F213-M217 HydrophobicContact CZ-SD 3.86Å; F213-M217 WeakPolarHBondContact O-CB 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.43Å; F213-M217 PolarHBondContact O-N 3.41Å; L214-M217 PolarHBondContact O-N 2.95Å; M217-L219 PolarHBondContact O-N 3.2Å; M217-E220 PolarHBondContact O-N 3.2Å; M217-E220 VanDerWaalsContact O-N 3.17Å; M217-P221 HydrophobicContact SD-CG 3.9Å; M217-M224 HydrophobicContact CE-CB 3.63Å; M217-M224 HydrophobicContact CE-CE 3.88Å; M217-M224 HydrophobicContact CE-CG 3.77Å; M217-M224 HydrophobicContact SD-CB 4.08Å; M217-M224 HydrophobicContact SD-CG 3.95Å
218R87.7Confident94.5Very high146 Ų14633.4 Ų33.455%0.55117%0.173SC*.THydrogen-bonded Turntrans-67.7-13.9170-74.6165.5-175.8168.8-1.7113.4E144 L214 D215 W216 E220E144-R218 IonicContact OE1-NH2 3.8Å; E144-R218 IonicContact OE2-CZ 2.98Å; E144-R218 IonicContact OE2-NE 2.7Å; E144-R218 IonicContact OE2-NH2 3.29Å; E144-R218 PolarHBondContact OE2-NH2 2.94Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.29Å; L214-R218 PolarHBondContact O-N 2.99Å; D215-R218 IonicContact OD1-CZ 3.69Å; D215-R218 IonicContact OD1-NE 2.85Å; D215-R218 IonicContact OD1-NH1 3.65Å; D215-R218 PolarHBondContact OD1-NH1 3.21Å; W216-R218 VanDerWaalsContact C-N 3.25Å; W216-R218 PolarHBondContact O-N 3.25Å; R218-E220 VanDerWaalsContact C-N 3.3Å
219L87.3Confident94.4Very high114 Ų11433.3 Ų33.360%0.59717%0.173SC*.THydrogen-bonded Turntrans-84.4-1.9171.6-53.8177.5000113.4F201 W216 M217F201-L219 HydrophobicContact CD2-CD1 3.95Å; F201-L219 HydrophobicContact CE2-CD1 3.8Å; F201-L219 HydrophobicContact CZ-CD1 4.35Å; W216-L219 VanDerWaalsContact O-CB 3.27Å; W216-L219 WeakPolarHBondContact O-CB 3.33Å; W216-L219 PolarHBondContact O-N 3.11Å; M217-L219 PolarHBondContact O-N 3.2Å
220E90.4Very high94.4Very high45 Ų4528.3 Ų28.321%0.2115%0.15CC..  trans5360.4-174.5-49.9-155.8138.900113.7M217 R218 V225 P228 R232M217-E220 PolarHBondContact O-N 3.2Å; M217-E220 VanDerWaalsContact O-N 3.17Å; R218-E220 VanDerWaalsContact C-N 3.3Å; E220-V225 HydrophobicContact CB-CB 4.29Å; E220-V225 HydrophobicContact CB-CG2 3.93Å; E220-P228 HydrophobicContact CG-CG 4.19Å; E220-P228 VanDerWaalsContact OE1-CB 3.31Å; E220-P228 WeakPolarHBondContact OE1-CB 3.25Å; E220-P228 WeakPolarHBondContact OE1-CG 3.49Å; E220-R232 IonicContact OE1-CZ 2.72Å; E220-R232 IonicContact OE1-NH1 2.95Å; E220-R232 PolarHBondContact OE1-NH1 2.89Å; E220-R232 IonicContact OE1-NH2 2.78Å; E220-R232 PolarHBondContact OE1-NH2 3.27Å; E220-R232 IonicContact OE2-CZ 2.99Å; E220-R232 IonicContact OE2-NH1 3.23Å; E220-R232 IonicContact OE2-NH2 3.92Å; E220-R232 PolarHBondContact OE2-NH2 3.35Å
221P91.3Very high94.2Very high16 Ų1629 Ų2910%0.10415%0.147CC..  trans-60.3145.4-177.325-33.3000112.2W216 M217 S223 M224 V225W216-P221 HydrophobicContact CD2-CB 4.37Å; W216-P221 HydrophobicContact CD2-CG 3.99Å; W216-P221 HydrophobicContact CE3-CG 3.96Å; W216-P221 HydrophobicContact CH2-CB 3.81Å; W216-P221 HydrophobicContact CH2-CG 3.7Å; W216-P221 HydrophobicContact CZ2-CB 3.42Å; W216-P221 VanDerWaalsContact CZ2-CB 3.42Å; W216-P221 HydrophobicContact CZ2-CG 3.72Å; W216-P221 HydrophobicContact CZ3-CB 4.42Å; W216-P221 HydrophobicContact CZ3-CG 3.82Å; M217-P221 HydrophobicContact SD-CG 3.9Å; P221-S223 VanDerWaalsContact C-N 3.26Å; P221-S223 PolarHBondContact O-N 3.23Å; P221-S223 VanDerWaalsContact O-N 3.07Å; P221-M224 HydrophobicContact CG-CB 4.34Å; P221-M224 PolarHBondContact O-N 2.95Å; P221-V225 PolarHBondContact O-N 3.47Å
222Q89.3Confident94Very high49 Ų4928.2 Ų28.223%0.22913%0.132CC..THydrogen-bonded Turntrans-58.8-31.1-163.8-16065.240.100114.3S185 F186 M224 G325 V329S185-Q222 PolarHBondContact O-NE2 2.9Å; F186-Q222 VanDerWaalsContact CA-O 3.27Å; F186-Q222 WeakPolarHBondContact CA-O 3.03Å; F186-Q222 WeakPolarHBondContact CB-O 3.37Å; F186-Q222 VanDerWaalsContact CD1-O 3.3Å; F186-Q222 WeakPolarHBondContact CD1-O 3.47Å; F186-Q222 CarbonylContact O-C 3.57Å; Q222-M224 VanDerWaalsContact C-N 3.31Å; Q222-M224 PolarHBondContact O-N 3.01Å; Q222-G325 PolarHBondContact NE2-O 2.75Å; Q222-G325 PolarHBondContact OE1-O 3.5Å; Q222-V329 HydrophobicContact CG-CG2 4.09Å
223S93.6Very high93.9Very high2 Ų226.8 Ų26.81%0.01413%0.125CC..THydrogen-bonded Turntrans-72.1-20.1176.440.30000114.4F186 S194 P221 W226F186-S223 VanDerWaalsContact O-CA 3.24Å; F186-S223 WeakPolarHBondContact O-CA 3.32Å; F186-S223 PolarHBondContact O-N 2.87Å; S194-S223 VanDerWaalsContact CB-OG 3.25Å; S194-S223 WeakPolarHBondContact CB-OG 3.32Å; S194-S223 WeakPolarHBondContact OG-CB 3.39Å; S194-S223 PolarHBondContact OG-OG 2.85Å; P221-S223 VanDerWaalsContact C-N 3.26Å; P221-S223 PolarHBondContact O-N 3.23Å; P221-S223 VanDerWaalsContact O-N 3.07Å; S223-W226 PolarHBondContact O-NE1 3.43Å
224M96.3Very high93.7Very high4 Ų428.1 Ų28.12%0.0214%0.137CC..THydrogen-bonded Turntrans-119.8-11.4-172.8-62.1-58.8-67.300114.4L170 S173 M217 P221 Q222 W226 L227 P228L170-M224 HydrophobicContact CD2-CG 3.68Å; L170-M224 HydrophobicContact CD2-SD 3.72Å; S173-M224 WeakPolarHBondContact CB-SD 3.16Å; M217-M224 HydrophobicContact CE-CB 3.63Å; M217-M224 HydrophobicContact CE-CE 3.88Å; M217-M224 HydrophobicContact CE-CG 3.77Å; M217-M224 HydrophobicContact SD-CB 4.08Å; M217-M224 HydrophobicContact SD-CG 3.95Å; P221-M224 HydrophobicContact CG-CB 4.34Å; P221-M224 PolarHBondContact O-N 2.95Å; Q222-M224 VanDerWaalsContact C-N 3.31Å; Q222-M224 PolarHBondContact O-N 3.01Å; M224-W226 HydrophobicContact CE-CZ2 4.4Å; M224-W226 PolarHBondContact O-N 3.21Å; M224-L227 HydrophobicContact CE-CD2 4.36Å; M224-L227 PolarHBondContact O-N 3.45Å; M224-P228 WeakPolarHBondContact O-CD 3.48Å
225V95.3Very high93.3Very high0 Ų029.7 Ų29.70%015%0.15CC..THydrogen-bonded Turntrans-56.1-19.9-175.264.30000115A37 F186 E220 P221 L227 P228 V229A37-V225 HydrophobicContact CB-CG1 4.33Å; A37-V225 HydrophobicContact CB-CG2 4.39Å; F186-V225 HydrophobicContact CD1-CG1 3.88Å; F186-V225 HydrophobicContact CE1-CG1 3.88Å; E220-V225 HydrophobicContact CB-CB 4.29Å; E220-V225 HydrophobicContact CB-CG2 3.93Å; P221-V225 PolarHBondContact O-N 3.47Å; V225-L227 VanDerWaalsContact C-N 3.28Å; V225-L227 PolarHBondContact O-N 3.34Å; V225-P228 WeakPolarHBondContact O-CD 3.49Å; V225-P228 WeakPolarHBondContact O-CG 3.24Å; V225-V229 HydrophobicContact CG2-CG2 4.08Å; V225-V229 WeakPolarHBondContact O-CB 3.43Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.48Å
226W96.9Very high93.3Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-61-33.617158.4-92.2000113.3T40 L44 S173 I176 P177 F186 S223 M224 L230T40-W226 HydrophobicContact CG2-CB 4.18Å; L44-W226 HydrophobicContact CD1-CD2 4.25Å; L44-W226 HydrophobicContact CD1-CE3 3.41Å; L44-W226 VanDerWaalsContact CD1-CE3 3.41Å; L44-W226 HydrophobicContact CD1-CZ3 3.93Å; S173-W226 WeakPolarHBondContact O-CZ2 3.41Å; I176-W226 HydrophobicContact CB-CH2 4.23Å; I176-W226 HydrophobicContact CB-CZ2 4.41Å; I176-W226 HydrophobicContact CD1-CH2 3.77Å; I176-W226 HydrophobicContact CD1-CZ2 4.37Å; I176-W226 HydrophobicContact CG2-CH2 4.12Å; I176-W226 HydrophobicContact CG2-CZ3 4.09Å; P177-W226 HydrophobicContact CG-CG 4.47Å; F186-W226 HydrophobicContact CD1-CB 4.41Å; F186-W226 HydrophobicContact CE1-CB 3.74Å; F186-W226 HydrophobicContact CE1-CG 4.41Å; F186-W226 HydrophobicContact CZ-CB 3.87Å; S223-W226 PolarHBondContact O-NE1 3.43Å; M224-W226 HydrophobicContact CE-CZ2 4.4Å; M224-W226 PolarHBondContact O-N 3.21Å; W226-L230 WeakPolarHBondContact O-CB 3.39Å; W226-L230 PolarHBondContact O-N 3.46Å
227L96.9Very high93.1Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-75.1-48.5-176.3-17449.1000113.7S137 L143 Y147 M224 V225 V229 L230 H231S137-L227 WeakPolarHBondContact O-CD1 3.47Å; L143-L227 HydrophobicContact CD1-CG 3.98Å; Y147-L227 HydrophobicContact CD1-CD2 4.47Å; Y147-L227 HydrophobicContact CE1-CD2 3.93Å; Y147-L227 HydrophobicContact CE1-CG 4.29Å; M224-L227 HydrophobicContact CE-CD2 4.36Å; M224-L227 PolarHBondContact O-N 3.45Å; V225-L227 VanDerWaalsContact C-N 3.28Å; V225-L227 PolarHBondContact O-N 3.34Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.45Å; L227-L230 HydrophobicContact CD1-CD2 4.31Å; L227-L230 WeakPolarHBondContact O-CB 3.31Å; L227-L230 PolarHBondContact O-N 2.94Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.39Å; L227-H231 PolarHBondContact O-CD2 3.23Å; L227-H231 PolarHBondContact O-N 2.9Å
228P95.1Very high92.8Very high5 Ų535.6 Ų35.63%0.03218%0.184CC..Hα-helixtrans-65.5-31.7172.527.3-34.2000112.1L143 E220 M224 V225 H231 R232L143-P228 HydrophobicContact CD1-CB 4.42Å; L143-P228 HydrophobicContact CD2-CB 3.74Å; E220-P228 HydrophobicContact CG-CG 4.19Å; E220-P228 VanDerWaalsContact OE1-CB 3.31Å; E220-P228 WeakPolarHBondContact OE1-CB 3.25Å; E220-P228 WeakPolarHBondContact OE1-CG 3.49Å; M224-P228 WeakPolarHBondContact O-CD 3.48Å; V225-P228 WeakPolarHBondContact O-CD 3.49Å; V225-P228 WeakPolarHBondContact O-CG 3.24Å; P228-H231 PolarHBondContact O-N 2.73Å; P228-R232 WeakPolarHBondContact O-CG 3.37Å; P228-R232 PolarHBondContact O-N 2.85Å; P228-R232 VanDerWaalsContact O-N 3.09Å; P228-R232 PolarHBondContact O-NH1 3.19Å
229V95.6Very high92.9Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-69.7-36174.7-179.30000111.4A37 Y38 A41 V225 L227 H231 R232 V233A37-V229 HydrophobicContact CB-CG2 4.13Å; Y38-V229 HydrophobicContact CD1-CG1 3.49Å; Y38-V229 VanDerWaalsContact CD1-CG1 3.49Å; Y38-V229 HydrophobicContact CD2-CG1 4.44Å; Y38-V229 HydrophobicContact CE1-CG1 3.66Å; Y38-V229 HydrophobicContact CG-CG1 3.9Å; A41-V229 HydrophobicContact CB-CB 4.05Å; A41-V229 HydrophobicContact CB-CG1 3.61Å; V225-V229 HydrophobicContact CG2-CG2 4.08Å; V225-V229 WeakPolarHBondContact O-CB 3.43Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.48Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.45Å; V229-H231 VanDerWaalsContact C-N 3.31Å; V229-H231 PolarHBondContact O-N 3.22Å; V229-R232 PolarHBondContact O-N 3.46Å; V229-R232 VanDerWaalsContact O-N 3.16Å; V229-V233 HydrophobicContact CG1-CG2 4.35Å; V229-V233 WeakPolarHBondContact O-CG2 3.33Å; V229-V233 PolarHBondContact O-N 3.04Å
230L97.4Very high93.1Very high2 Ų229 Ų291%0.0116%0.155CC..Hα-helixtrans-56.8-42.7170.917261.8000112A41 L44 R45 L138 W226 L227 V233 A234A41-L230 HydrophobicContact CB-CB 4.24Å; A41-L230 WeakPolarHBondContact O-CD1 3.37Å; L44-L230 HydrophobicContact CB-CD1 4.14Å; L44-L230 HydrophobicContact CB-CD2 4.24Å; R45-L230 HydrophobicContact CB-CD1 3.82Å; L138-L230 HydrophobicContact CD2-CD2 3.75Å; W226-L230 WeakPolarHBondContact O-CB 3.39Å; W226-L230 PolarHBondContact O-N 3.46Å; L227-L230 HydrophobicContact CD1-CD2 4.31Å; L227-L230 WeakPolarHBondContact O-CB 3.31Å; L227-L230 PolarHBondContact O-N 2.94Å; L230-V233 PolarHBondContact O-N 3.03Å; L230-A234 WeakPolarHBondContact O-CB 3.34Å; L230-A234 PolarHBondContact O-N 2.94Å
231H93.7Very high93.1Very high43 Ų4326.9 Ų26.920%0.19915%0.145CC..Hα-helixtrans-66.6-38.8175.8-75.9-126.2000112.1A141 H142 L143 K146 L227 P228 V229 A234 A235A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 3.06Å; H142-H231 PolarHBondContact O-CE1 2.85Å; L143-H231 WeakPolarHBondContact CA-CE1 3.46Å; L143-H231 PolarHBondContact N-CE1 3.31Å; K146-H231 WeakPolarHBondContact CD-CE1 3.49Å; K146-H231 WeakPolarHBondContact CD-NE2 3.44Å; K146-H231 WeakPolarHBondContact CE-CE1 3.3Å; K146-H231 WeakPolarHBondContact CE-NE2 3.29Å; K146-H231 PolarHBondContact NZ-NE2 3.31Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.39Å; L227-H231 PolarHBondContact O-CD2 3.23Å; L227-H231 PolarHBondContact O-N 2.9Å; P228-H231 PolarHBondContact O-N 2.73Å; V229-H231 VanDerWaalsContact C-N 3.31Å; V229-H231 PolarHBondContact O-N 3.22Å; H231-A234 PolarHBondContact O-N 3.21Å; H231-A235 PolarHBondContact O-N 3.29Å
232R94Very high93.1Very high41 Ų4133.8 Ų33.816%0.15518%0.176CC..Hα-helixtrans-66-39.2174.3-67.3-161.4-62.6-83.529.7112.6E220 P228 V229 A235 A236 F256 E290 C292E220-R232 IonicContact OE1-CZ 2.72Å; E220-R232 IonicContact OE1-NH1 2.95Å; E220-R232 PolarHBondContact OE1-NH1 2.89Å; E220-R232 IonicContact OE1-NH2 2.78Å; E220-R232 PolarHBondContact OE1-NH2 3.27Å; E220-R232 IonicContact OE2-CZ 2.99Å; E220-R232 IonicContact OE2-NH1 3.23Å; E220-R232 IonicContact OE2-NH2 3.92Å; E220-R232 PolarHBondContact OE2-NH2 3.35Å; P228-R232 WeakPolarHBondContact O-CG 3.37Å; P228-R232 PolarHBondContact O-N 2.85Å; P228-R232 VanDerWaalsContact O-N 3.09Å; P228-R232 PolarHBondContact O-NH1 3.19Å; V229-R232 PolarHBondContact O-N 3.46Å; V229-R232 VanDerWaalsContact O-N 3.16Å; R232-A235 PolarHBondContact O-N 3.49Å; R232-A236 VanDerWaalsContact O-CB 3.3Å; R232-A236 WeakPolarHBondContact O-CB 3.25Å; R232-A236 PolarHBondContact O-N 3.02Å; R232-F256 VanDerWaalsContact C-CZ 3.48Å; R232-F256 HydrophobicContact CB-CE1 3.89Å; R232-F256 HydrophobicContact CB-CZ 3.94Å; R232-F256 WeakPolarHBondContact O-CZ 3.34Å; R232-E290 WeakPolarHBondContact CD-OE1 3.46Å; R232-E290 IonicContact CZ-OE1 3.94Å; R232-E290 IonicContact NE-OE1 3.27Å; R232-E290 PolarHBondContact NE-OE1 3.18Å; R232-E290 IonicContact NH2-OE1 3.03Å; R232-C292 HydrophobicContact CB-CB 4.29Å; R232-C292 WeakPolarHBondContact O-CB 3.26Å
233V95.1Very high93.2Very high9 Ų931.8 Ų31.86%0.05517%0.168CC..Hα-helixtrans-61-48173.3170.90000110.1Y38 A41 M42 R45 V229 L230 A235 A236 E237 F256Y38-V233 HydrophobicContact CD1-CG2 4.39Å; A41-V233 HydrophobicContact CB-CG2 3.83Å; M42-V233 HydrophobicContact CG-CG1 4.08Å; M42-V233 HydrophobicContact CG-CG2 4.18Å; R45-V233 HydrophobicContact CB-CG1 4.02Å; R45-V233 HydrophobicContact CG-CG1 4.03Å; V229-V233 HydrophobicContact CG1-CG2 4.35Å; V229-V233 WeakPolarHBondContact O-CG2 3.33Å; V229-V233 PolarHBondContact O-N 3.04Å; L230-V233 PolarHBondContact O-N 3.03Å; V233-A235 PolarHBondContact O-N 3.19Å; V233-A236 PolarHBondContact O-N 2.94Å; V233-E237 PolarHBondContact O-N 3.2Å; V233-F256 HydrophobicContact CB-CE2 4.44Å; V233-F256 HydrophobicContact CB-CZ 4.49Å; V233-F256 HydrophobicContact CG2-CE2 3.9Å; V233-F256 HydrophobicContact CG2-CZ 4Å
234A93.4Very high93.3Very high31 Ų3137.6 Ų37.626%0.25619%0.193SC..Hα-helixtrans-61.9-38.9178.800000113.1L230 H231L230-A234 WeakPolarHBondContact O-CB 3.34Å; L230-A234 PolarHBondContact O-N 2.94Å; H231-A234 PolarHBondContact O-N 3.21Å
235A89.1Confident93.3Very high36 Ų3637.4 Ų37.430%0.29819%0.192SC..Hα-helixtrans-67.5-40.3173.900000112.5H231 R232 V233 E237 C292 T293H231-A235 PolarHBondContact O-N 3.29Å; R232-A235 PolarHBondContact O-N 3.49Å; V233-A235 PolarHBondContact O-N 3.19Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.33Å; A235-C292 CarbonylContact C-O 3.51Å; A235-C292 HydrophobicContact CB-CB 4.43Å; A235-C292 WeakPolarHBondContact CB-O 3.2Å; A235-T293 HydrophobicContact CB-CG2 4.37Å
236A92.6Very high93.3Very high1 Ų139.1 Ų39.11%0.00820%0.201CC..Hα-helixtrans-65.6-30.1-177.300000113.3R232 V233 T238 A239 G255 F256 C292R232-A236 VanDerWaalsContact O-CB 3.3Å; R232-A236 WeakPolarHBondContact O-CB 3.25Å; R232-A236 PolarHBondContact O-N 3.02Å; V233-A236 PolarHBondContact O-N 2.94Å; A236-T238 PolarHBondContact O-N 2.93Å; A236-A239 WeakPolarHBondContact O-CB 3.4Å; A236-A239 PolarHBondContact O-N 2.9Å; A236-G255 VanDerWaalsContact O-CA 3.28Å; A236-G255 WeakPolarHBondContact O-CA 3.46Å; A236-F256 HydrophobicContact CB-CD1 3.97Å; A236-F256 HydrophobicContact CB-CD2 3.64Å; A236-F256 HydrophobicContact CB-CE1 4.02Å; A236-F256 HydrophobicContact CB-CE2 3.66Å; A236-F256 HydrophobicContact CB-CG 3.82Å; A236-F256 HydrophobicContact CB-CZ 3.88Å; A236-C292 WeakPolarHBondContact CA-O 3.28Å; A236-C292 HydrophobicContact CB-CB 4.06Å; A236-C292 PolarHBondContact N-O 3.48Å
237E90.4Very high93.2Very high78 Ų7840.3 Ų40.336%0.36421%0.207SC..THydrogen-bonded Turntrans-53-31.2-177.3-75.1178.7156.100114.6R45 K49 V233 A235R45-E237 VanDerWaalsContact CG-OE1 3.27Å; R45-E237 WeakPolarHBondContact CG-OE1 3.25Å; R45-E237 IonicContact CZ-OE2 3.65Å; R45-E237 VanDerWaalsContact CZ-OE2 3.26Å; R45-E237 VanDerWaalsContact NE-CD 3.34Å; R45-E237 IonicContact NE-OE1 2.75Å; R45-E237 PolarHBondContact NE-OE1 3.38Å; R45-E237 IonicContact NE-OE2 3.73Å; R45-E237 PolarHBondContact NE-OE2 2.94Å; R45-E237 IonicContact NH2-OE2 2.94Å; R45-E237 PolarHBondContact NH2-OE2 3.34Å; K49-E237 IonicContact NZ-OE1 3.34Å; K49-E237 PolarHBondContact NZ-OE1 2.97Å; K49-E237 IonicContact NZ-OE2 2.69Å; K49-E237 PolarHBondContact NZ-OE2 3.49Å; V233-E237 PolarHBondContact O-N 3.2Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.33Å
238T87.3Confident93.1Very high125 Ų12543 Ų4377%0.76723%0.225SC*.THydrogen-bonded Turntrans-106-1.6177.760.30000113.2A236A236-T238 PolarHBondContact O-N 2.93Å
239A90.1Very high93.2Very high0 Ų047.9 Ų47.90%025%0.246CC..  trans-72.3132.8-179.100000111.6A236 I254 G255A236-A239 WeakPolarHBondContact O-CB 3.4Å; A236-A239 PolarHBondContact O-N 2.9Å; A239-I254 WeakPolarHBondContact O-CA 3.43Å; A239-G255 PolarHBondContact O-N 3.5Å; A239-G255 VanDerWaalsContact O-N 3.08Å
240K91.8Very high93.2Very high122 Ų12252.4 Ų52.453%0.5327%0.267SS..EExtended strand (participates in β ladder)trans-133.2117.4179-174176.8-176175.50109.4P252K240-P252 HydrophobicContact CG-CB 4.19Å; K240-P252 HydrophobicContact CG-CG 4.23Å
241H90.3Very high93Very high1 Ų155.9 Ų55.91%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-110.2129.8-178.2-58.6-90.3000110.7A243 P252 I253 R257 T293 T295H241-A243 HydrophobicContact CB-CB 4.2Å; H241-A243 PolarHBondContact O-N 3.39Å; H241-P252 WeakPolarHBondContact O-CA 3.35Å; H241-P252 WeakPolarHBondContact O-CB 3.34Å; H241-I253 HydrophobicContact CB-CB 4.34Å; H241-I253 PolarHBondContact N-O 2.95Å; H241-I253 PolarHBondContact O-N 3.25Å; H241-R257 HydrophobicContact CB-CB 4.45Å; H241-T293 PolarHBondContact CE1-O 2.9Å; H241-T295 PolarHBondContact ND1-OG1 3.01Å
242Q91.8Very high93Very high161 Ų16155.6 Ų55.675%0.75229%0.293SS*.SBendtrans-76.162.7172.4-58.2-65.38.600110.6
243A91.4Very high93Very high7 Ų753.7 Ų53.76%0.05829%0.285CS..  trans-136.9152-17500000109.2H241 C251 I253H241-A243 HydrophobicContact CB-CB 4.2Å; H241-A243 PolarHBondContact O-N 3.39Å; A243-C251 PolarHBondContact O-SG 3.42Å; A243-I253 HydrophobicContact CB-CD1 4.13Å; A243-I253 PolarHBondContact O-N 3.49Å
244K94.9Very high92.9Very high124 Ų12458.2 Ų58.254%0.53931%0.308SS..  trans-112.2122.8-179.9-178.3162.3-172.7163.30109.7N246 K249 E250 C251K244-N246 PolarHBondContact O-N 3.43Å; K244-N246 PolarHBondContact O-OD1 2.77Å; K244-K249 WeakPolarHBondContact CE-O 3.49Å; K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.12Å; K244-C251 HydrophobicContact CB-CB 3.92Å; K244-C251 HydrophobicContact CD-CB 4.31Å; K244-C251 HydrophobicContact CG-CB 3.97Å
245C95.7Very high92.9Very high0 Ų057 Ų570%030%0.298CS..  trans-61.6120.9179.5179.90000110.8I247 C248 K249 E250 I253 C269C245-I247 PolarHBondContact O-N 3.4Å; C245-C248 VanDerWaalsContact CB-SG 3.52Å; C245-C248 PolarHBondContact SG-SG 3.49Å; C245-K249 VanDerWaalsContact O-CA 3.24Å; C245-K249 WeakPolarHBondContact O-CA 3.45Å; C245-K249 PolarHBondContact O-N 2.95Å; C245-E250 HydrophobicContact CB-CB 4.43Å; C245-E250 PolarHBondContact N-O 3.07Å; C245-I253 HydrophobicContact CB-CD1 4.19Å; C245-I253 HydrophobicContact CB-CG1 4.31Å; C245-C269 HydrophobicContact CB-CB 4.15Å; C245-C269 PolarHBondContact SG-N 2.9Å; C245-C269 VanDerWaalsContact SG-N 3.39Å; C245-C269 VanDerWaalsContact SG-SG 3.68Å
246N95.6Very high93.1Very high35 Ų3555.3 Ų55.319%0.18728%0.284CS..THydrogen-bonded Turntrans-64.7-14.1-179.2-71.756.8000112.6K244 K249 N265 Y266 D267K244-N246 PolarHBondContact O-N 3.43Å; K244-N246 PolarHBondContact O-OD1 2.77Å; N246-K249 PolarHBondContact O-NZ 3.38Å; N246-N265 PolarHBondContact ND2-O 2.82Å; N246-N265 VanDerWaalsContact ND2-O 3.16Å; N246-Y266 HydrophobicContact CB-CD1 4.17Å; N246-Y266 HydrophobicContact CB-CD2 3.91Å; N246-Y266 HydrophobicContact CB-CE1 3.99Å; N246-Y266 HydrophobicContact CB-CE2 3.72Å; N246-Y266 HydrophobicContact CB-CG 4.11Å; N246-Y266 WeakPolarHBondContact ND2-CD2 3.39Å; N246-D267 WeakPolarHBondContact CB-O 3.43Å; N246-D267 PolarHBondContact N-O 3.11Å; N246-D267 PolarHBondContact OD1-N 3.49Å; N246-D267 PolarHBondContact OD1-O 3.34Å
247I95.1Very high93.1Very high26 Ų2655.7 Ų55.713%0.13329%0.286CS..THydrogen-bonded Turntrans-94.8-84.3177-51.3-169000110.2C245 K249 I268 C272 R277 A279C245-I247 PolarHBondContact O-N 3.4Å; I247-K249 VanDerWaalsContact C-N 3.28Å; I247-K249 WeakPolarHBondContact O-CD 3.16Å; I247-K249 WeakPolarHBondContact O-CE 3.21Å; I247-K249 PolarHBondContact O-N 3.03Å; I247-K249 PolarHBondContact O-NZ 2.75Å; I247-I268 HydrophobicContact CD1-CD1 4.37Å; I247-I268 HydrophobicContact CD1-CG2 3.94Å; I247-I268 HydrophobicContact CG1-CG2 4.39Å; I247-C272 HydrophobicContact CB-CB 4.16Å; I247-C272 HydrophobicContact CD1-CB 4.27Å; I247-C272 HydrophobicContact CG2-CB 4.36Å; I247-R277 HydrophobicContact CD1-CB 4.29Å; I247-R277 WeakPolarHBondContact CD1-O 3.48Å; I247-R277 HydrophobicContact CG2-CB 4.09Å; I247-A279 HydrophobicContact CG1-CB 4.04Å
248C95.6Very high93.1Very high56 Ų5652 Ų5238%0.37827%0.269SS..THydrogen-bonded Turntrans-72.4-7.1-175.260.50000116C245 E250 C269C245-C248 VanDerWaalsContact CB-SG 3.52Å; C245-C248 PolarHBondContact SG-SG 3.49Å; C248-E250 PolarHBondContact O-N 2.94Å; C248-E250 VanDerWaalsContact O-N 3.16Å; C248-E250 WeakPolarHBondContact SG-CB 3.45Å; C248-E250 PolarHBondContact SG-OE2 3.42Å; C248-C269 PolarHBondContact SG-SG 3.43Å
249K96.1Very high93.2Very high108 Ų10847.3 Ų47.347%0.4724%0.237SC..  trans67.31.4-178.2-40-52173.2-163.50116.1K244 C245 N246 I247K244-K249 WeakPolarHBondContact CE-O 3.49Å; C245-K249 VanDerWaalsContact O-CA 3.24Å; C245-K249 WeakPolarHBondContact O-CA 3.45Å; C245-K249 PolarHBondContact O-N 2.95Å; N246-K249 PolarHBondContact O-NZ 3.38Å; I247-K249 VanDerWaalsContact C-N 3.28Å; I247-K249 WeakPolarHBondContact O-CD 3.16Å; I247-K249 WeakPolarHBondContact O-CE 3.21Å; I247-K249 PolarHBondContact O-N 3.03Å; I247-K249 PolarHBondContact O-NZ 2.75Å
250E95.4Very high93Very high94 Ų9447.3 Ų47.344%0.43924%0.237SC..  trans-50.6135.3169-173.7174.6-154.500111.7K244 C245 C248 C269K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.12Å; C245-E250 HydrophobicContact CB-CB 4.43Å; C245-E250 PolarHBondContact N-O 3.07Å; C248-E250 PolarHBondContact O-N 2.94Å; C248-E250 VanDerWaalsContact O-N 3.16Å; C248-E250 WeakPolarHBondContact SG-CB 3.45Å; C248-E250 PolarHBondContact SG-OE2 3.42Å; E250-C269 PolarHBondContact OE2-SG 3.35Å
251C93.3Very high92.5Very high75 Ų7542.7 Ų42.751%0.50722%0.218SC..SBendtrans-161130.6-177.8-174.50000108.5A243 K244A243-C251 PolarHBondContact O-SG 3.42Å; K244-C251 HydrophobicContact CB-CB 3.92Å; K244-C251 HydrophobicContact CD-CB 4.31Å; K244-C251 HydrophobicContact CG-CB 3.97Å
252P93.4Very high92Very high38 Ų3847.7 Ų47.725%0.24724%0.24CC..SBendcis-64.8158.3-6.828.8-34.4000112.2K240 H241K240-P252 HydrophobicContact CG-CB 4.19Å; K240-P252 HydrophobicContact CG-CG 4.23Å; H241-P252 WeakPolarHBondContact O-CA 3.35Å; H241-P252 WeakPolarHBondContact O-CB 3.34Å
253I94.6Very high91.5Very high0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-75.7124.5168.2-67.1174.1000107.8H241 A243 C245 F256 R257 D267 C269H241-I253 HydrophobicContact CB-CB 4.34Å; H241-I253 PolarHBondContact N-O 2.95Å; H241-I253 PolarHBondContact O-N 3.25Å; A243-I253 HydrophobicContact CB-CD1 4.13Å; A243-I253 PolarHBondContact O-N 3.49Å; C245-I253 HydrophobicContact CB-CD1 4.19Å; C245-I253 HydrophobicContact CB-CG1 4.31Å; I253-F256 WeakPolarHBondContact CG2-O 3.29Å; I253-R257 HydrophobicContact CD1-CG 4.4Å; I253-R257 HydrophobicContact CG2-CB 4.29Å; I253-D267 HydrophobicContact CD1-CB 4.09Å; I253-C269 HydrophobicContact CB-CB 4.5Å; I253-C269 HydrophobicContact CD1-CB 4.29Å; I253-C269 HydrophobicContact CG1-CB 4.05Å; I253-C269 HydrophobicContact CG2-CB 3.84Å
254I92.8Very high90.9Very high104 Ų10448.4 Ų48.453%0.53324%0.24SC..EExtended strand (participates in β ladder)trans-106.8145.1171.1-55.4174.3000107.4A239A239-I254 WeakPolarHBondContact O-CA 3.43Å
255G93.3Very high90.3Very high5 Ų547.3 Ų47.35%0.05224%0.24CC..SBendtrans78.7-157.5-169.300000111.7A236 A239A236-G255 VanDerWaalsContact O-CA 3.28Å; A236-G255 WeakPolarHBondContact O-CA 3.46Å; A239-G255 PolarHBondContact O-N 3.5Å; A239-G255 VanDerWaalsContact O-N 3.08Å
256F93.4Very high90Very high1 Ų147.7 Ų47.70%0.00424%0.241CC..  trans-60.9136.2-179.3-69.7-84.9000113.7Y38 R232 V233 A236 I253 Y258 Q270 F274 E290 C292Y38-F256 HydrophobicContact CD1-CE2 4.24Å; Y38-F256 HydrophobicContact CD1-CZ 4.16Å; Y38-F256 HydrophobicContact CE1-CE1 4.15Å; Y38-F256 HydrophobicContact CE1-CE2 4.25Å; Y38-F256 AromaticContact CE1-CZ 3.8Å; Y38-F256 HydrophobicContact CE1-CZ 3.8Å; R232-F256 VanDerWaalsContact C-CZ 3.48Å; R232-F256 HydrophobicContact CB-CE1 3.89Å; R232-F256 HydrophobicContact CB-CZ 3.94Å; R232-F256 WeakPolarHBondContact O-CZ 3.34Å; V233-F256 HydrophobicContact CB-CE2 4.44Å; V233-F256 HydrophobicContact CB-CZ 4.49Å; V233-F256 HydrophobicContact CG2-CE2 3.9Å; V233-F256 HydrophobicContact CG2-CZ 4Å; A236-F256 HydrophobicContact CB-CD1 3.97Å; A236-F256 HydrophobicContact CB-CD2 3.64Å; A236-F256 HydrophobicContact CB-CE1 4.02Å; A236-F256 HydrophobicContact CB-CE2 3.66Å; A236-F256 HydrophobicContact CB-CG 3.82Å; A236-F256 HydrophobicContact CB-CZ 3.88Å; I253-F256 WeakPolarHBondContact CG2-O 3.29Å; F256-Y258 HydrophobicContact CB-CD2 4.23Å; F256-Y258 HydrophobicContact CB-CE2 3.4Å; F256-Y258 HydrophobicContact CG-CE2 4.18Å; F256-Y258 AromaticContact CG-CZ 3.98Å; F256-Y258 WeakPolarHBondContact CG-OH 3.35Å; F256-Q270 HydrophobicContact CB-CB 4.09Å; F256-Q270 HydrophobicContact CB-CG 4.39Å; F256-Q270 HydrophobicContact CD2-CG 4.03Å; F256-Q270 VanDerWaalsContact N-OE1 3.14Å; F256-Q270 PolarHBondContact O-N 3.47Å; F256-F274 HydrophobicContact CD2-CE2 4.49Å; F256-F274 AromaticContact CD2-CZ 3.87Å; F256-F274 HydrophobicContact CD2-CZ 3.87Å; F256-F274 AromaticContact CE2-CZ 3.99Å; F256-F274 HydrophobicContact CE2-CZ 3.99Å; F256-E290 HydrophobicContact CD1-CG 3.67Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.33Å; F256-E290 HydrophobicContact CE1-CG 3.99Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.3Å; F256-C292 HydrophobicContact CD1-CB 3.82Å; F256-C292 HydrophobicContact CE1-CB 3.6Å
257R93.3Very high89.8Confident10 Ų1046.2 Ų46.24%0.03823%0.233CC..EExtended strand (participates in β ladder)trans-106.4122165.9175.5-169-173.3170.818.3109.6H241 I253 D267 Y291 T295 D300H241-R257 HydrophobicContact CB-CB 4.45Å; I253-R257 HydrophobicContact CD1-CG 4.4Å; I253-R257 HydrophobicContact CG2-CB 4.29Å; R257-D267 IonicContact CZ-OD1 3.51Å; R257-D267 IonicContact CZ-OD2 3.52Å; R257-D267 VanDerWaalsContact NE-CG 3.3Å; R257-D267 IonicContact NE-OD1 2.86Å; R257-D267 PolarHBondContact NE-OD1 3.22Å; R257-D267 IonicContact NE-OD2 3.45Å; R257-D267 PolarHBondContact NE-OD2 3.46Å; R257-D267 IonicContact NH2-OD1 3.38Å; R257-D267 PolarHBondContact NH2-OD1 3.36Å; R257-D267 IonicContact NH2-OD2 2.74Å; R257-D267 PolarHBondContact NH2-OD2 2.68Å; R257-Y291 HydrophobicContact CB-CD2 4.15Å; R257-Y291 HydrophobicContact CG-CD2 3.91Å; R257-Y291 PolarHBondContact N-O 2.9Å; R257-Y291 VanDerWaalsContact N-O 3.08Å; R257-Y291 WeakPolarHBondContact O-CD2 3.12Å; R257-Y291 PolarHBondContact O-N 3.1Å; R257-T295 PolarHBondContact NH1-OG1 2.74Å; R257-D300 IonicContact NH1-OD1 3.91Å
258Y91.2Very high89.8Confident0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-106.9113.8172.9-61.3-82.1000110.6F256 D267 I268 F273 F274 V289 E290F256-Y258 HydrophobicContact CB-CD2 4.23Å; F256-Y258 HydrophobicContact CB-CE2 3.4Å; F256-Y258 HydrophobicContact CG-CE2 4.18Å; F256-Y258 AromaticContact CG-CZ 3.98Å; F256-Y258 WeakPolarHBondContact CG-OH 3.35Å; Y258-D267 CarbonylContact O-C 3.01Å; Y258-D267 WeakPolarHBondContact O-CA 3.34Å; Y258-I268 PolarHBondContact N-O 2.7Å; Y258-I268 PolarHBondContact O-N 3.13Å; Y258-F273 AromaticContact CD1-CD1 3.96Å; Y258-F273 HydrophobicContact CD1-CD1 3.96Å; Y258-F273 HydrophobicContact CD1-CD2 4.45Å; Y258-F273 AromaticContact CD1-CE1 3.93Å; Y258-F273 HydrophobicContact CD1-CE1 3.93Å; Y258-F273 HydrophobicContact CD1-CE2 4.44Å; Y258-F273 HydrophobicContact CD1-CG 4.22Å; Y258-F273 HydrophobicContact CD1-CZ 4.18Å; Y258-F273 HydrophobicContact CD2-CB 3.45Å; Y258-F273 VanDerWaalsContact CD2-CB 3.45Å; Y258-F273 AromaticContact CD2-CD1 3.54Å; Y258-F273 HydrophobicContact CD2-CD1 3.54Å; Y258-F273 HydrophobicContact CD2-CD2 4.24Å; Y258-F273 HydrophobicContact CD2-CE1 4.34Å; Y258-F273 AromaticContact CD2-CG 3.47Å; Y258-F273 HydrophobicContact CD2-CG 3.47Å; Y258-F273 VanDerWaalsContact CD2-CG 3.47Å; Y258-F273 AromaticContact CE1-CD1 3.65Å; Y258-F273 HydrophobicContact CE1-CD1 3.65Å; Y258-F273 AromaticContact CE1-CE1 3.5Å; Y258-F273 HydrophobicContact CE1-CE1 3.5Å; Y258-F273 HydrophobicContact CE1-CG 4.36Å; Y258-F273 HydrophobicContact CE1-CZ 4.12Å; Y258-F273 HydrophobicContact CE2-CB 3.72Å; Y258-F273 AromaticContact CE2-CD1 3.18Å; Y258-F273 HydrophobicContact CE2-CD1 3.18Å; Y258-F273 AromaticContact CE2-CE1 3.94Å; Y258-F273 HydrophobicContact CE2-CE1 3.94Å; Y258-F273 AromaticContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CG-CB 4.16Å; Y258-F273 AromaticContact CG-CD1 3.91Å; Y258-F273 HydrophobicContact CG-CD1 3.91Å; Y258-F273 HydrophobicContact CG-CD2 4.12Å; Y258-F273 HydrophobicContact CG-CE1 4.33Å; Y258-F273 AromaticContact CG-CG 3.79Å; Y258-F273 HydrophobicContact CG-CG 3.79Å; Y258-F273 AromaticContact CZ-CD1 3.26Å; Y258-F273 AromaticContact CZ-CE1 3.53Å; Y258-F274 HydrophobicContact CE2-CE1 4.35Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.16Å; Y258-V289 CarbonylContact C-O 3.6Å; Y258-V289 WeakPolarHBondContact CA-O 3.48Å; Y258-E290 HydrophobicContact CD1-CB 4.06Å; Y258-E290 HydrophobicContact CD1-CG 4.34Å; Y258-E290 HydrophobicContact CE1-CB 3.81Å; Y258-E290 HydrophobicContact CE1-CG 3.71Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.3Å; Y258-E290 PolarHBondContact OH-OE2 3.43Å
259R88.5Confident89.7Confident26 Ų2642.4 Ų42.410%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-102128.1179.1176.5177.5-79.8172-24111.3L261 Y266 D267 M288 V289 Y291 D300R259-L261 PolarHBondContact O-N 3.2Å; R259-Y266 WeakPolarHBondContact CA-O 3.42Å; R259-D267 WeakPolarHBondContact CB-OD1 3.43Å; R259-D267 IonicContact NE-OD1 3.76Å; R259-D267 PolarHBondContact NE-OD1 3.49Å; R259-M288 CarbonylContact O-C 3.12Å; R259-M288 WeakPolarHBondContact O-CA 3.49Å; R259-M288 WeakPolarHBondContact O-CB 3.48Å; R259-V289 PolarHBondContact N-O 2.66Å; R259-V289 PolarHBondContact O-N 3.38Å; R259-Y291 HydrophobicContact CB-CE2 3.78Å; R259-Y291 PolarHBondContact NH1-OH 3.03Å; R259-D300 IonicContact CZ-OD1 3.79Å; R259-D300 IonicContact NH1-OD1 3.43Å; R259-D300 PolarHBondContact NH1-OD1 2.87Å; R259-D300 IonicContact NH2-OD1 3.71Å; R259-D300 PolarHBondContact NH2-OD1 3.36Å
260S86.6Confident89.6Confident1 Ų139.4 Ų39.41%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-66.1127.5172.7-163.20000111.5K262 H263 Y266 H282S260-K262 VanDerWaalsContact C-N 3.26Å; S260-K262 PolarHBondContact OG-N 3.16Å; S260-H263 PolarHBondContact OG-N 3.31Å; S260-H263 VanDerWaalsContact OG-N 3.15Å; S260-Y266 PolarHBondContact N-O 3.03Å; S260-H282 WeakPolarHBondContact CB-NE2 3.36Å; S260-H282 PolarHBondContact OG-CD2 3.35Å; S260-H282 PolarHBondContact OG-NE2 3.49Å
261L81.1Confident89.5Confident24 Ų2438 Ų3813%0.12620%0.198CC..SBendtrans-80.6-8.7168.6-71169.9000112.7R259 P287 V289 V307R259-L261 PolarHBondContact O-N 3.2Å; L261-P287 HydrophobicContact CB-CB 4.24Å; L261-P287 WeakPolarHBondContact CB-O 3.4Å; L261-P287 HydrophobicContact CD1-CB 4.11Å; L261-P287 PolarHBondContact N-O 3.37Å; L261-V289 HydrophobicContact CD1-CG2 3.92Å; L261-V289 HydrophobicContact CD2-CG2 3.69Å; L261-V289 HydrophobicContact CG-CG2 3.85Å; L261-V307 HydrophobicContact CD2-CG2 3.79Å
262K79.8Confident89.5Confident107 Ų10734.5 Ų34.547%0.46517%0.174SC..SBendtrans-99.1-43.3178.7-169-173.5175.7-178.50112.5S260 Y286S260-K262 VanDerWaalsContact C-N 3.26Å; S260-K262 PolarHBondContact OG-N 3.16Å; K262-Y286 HydrophobicContact CB-CD2 4.44Å; K262-Y286 HydrophobicContact CB-CG 4.44Å; K262-Y286 HydrophobicContact CD-CD1 3.78Å; K262-Y286 HydrophobicContact CD-CD2 3.73Å; K262-Y286 HydrophobicContact CD-CE1 3.84Å; K262-Y286 HydrophobicContact CD-CE2 3.77Å; K262-Y286 HydrophobicContact CD-CG 3.74Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.26Å; K262-Y286 PolarHBondContact NZ-OH 3.13Å; K262-Y286 VanDerWaalsContact NZ-OH 3.09Å
263H80.6Confident89.4Confident47 Ų4732.8 Ų32.822%0.21816%0.163CC..SBendtrans-98.8124.2-178.6-68.5-171.2000110.1S260 N265 Y266 H282 Y286S260-H263 PolarHBondContact OG-N 3.31Å; S260-H263 VanDerWaalsContact OG-N 3.15Å; H263-N265 PolarHBondContact O-N 3.38Å; H263-Y266 HydrophobicContact CB-CD2 4.12Å; H263-Y266 HydrophobicContact CB-CG 3.96Å; H263-Y266 WeakPolarHBondContact O-CB 3.19Å; H263-H282 AromaticContact ND1-CD2 3.71Å; H263-Y286 AromaticContact CE1-CE2 3.87Å; H263-Y286 AromaticContact NE2-CE2 3.51Å
264F78.3Confident89.3Confident136 Ų13633.2 Ų33.260%0.59617%0.165SC*.THydrogen-bonded Turntrans-64.1134.9179.7-179.1-101.5000111.3Y266 F304F264-Y266 VanDerWaalsContact C-N 3.29Å; F264-Y266 PolarHBondContact O-N 2.93Å; F264-F304 HydrophobicContact CE2-CD2 4.18Å; F264-F304 HydrophobicContact CE2-CE2 4.03Å
265N82.9Confident89.1Confident100 Ų10030.9 Ų30.954%0.53516%0.158SC..THydrogen-bonded Turntrans44.251.8-177.4-15428.6000113.3N246 H263N246-N265 PolarHBondContact ND2-O 2.82Å; N246-N265 VanDerWaalsContact ND2-O 3.16Å; H263-N265 PolarHBondContact O-N 3.38Å
266Y89.1Confident88.8Confident8 Ų831.1 Ų31.13%0.03116%0.161CC..  trans-116.297.6178.3-164.5-72.9000110.2N246 R259 S260 H263 F264 I268 A279 K280 H282N246-Y266 HydrophobicContact CB-CD1 4.17Å; N246-Y266 HydrophobicContact CB-CD2 3.91Å; N246-Y266 HydrophobicContact CB-CE1 3.99Å; N246-Y266 HydrophobicContact CB-CE2 3.72Å; N246-Y266 HydrophobicContact CB-CG 4.11Å; N246-Y266 WeakPolarHBondContact ND2-CD2 3.39Å; R259-Y266 WeakPolarHBondContact CA-O 3.42Å; S260-Y266 PolarHBondContact N-O 3.03Å; H263-Y266 HydrophobicContact CB-CD2 4.12Å; H263-Y266 HydrophobicContact CB-CG 3.96Å; H263-Y266 WeakPolarHBondContact O-CB 3.19Å; F264-Y266 VanDerWaalsContact C-N 3.29Å; F264-Y266 PolarHBondContact O-N 2.93Å; Y266-I268 HydrophobicContact CD1-CD1 4.36Å; Y266-I268 HydrophobicContact CD1-CG1 4.05Å; Y266-I268 HydrophobicContact CE1-CD1 3.82Å; Y266-I268 HydrophobicContact CE1-CG1 3.7Å; Y266-A279 PolarHBondContact OH-O 2.98Å; Y266-A279 VanDerWaalsContact OH-O 3.07Å; Y266-K280 HydrophobicContact CE2-CB 4.33Å; Y266-H282 AromaticContact CD1-CD2 3.73Å; Y266-H282 HydrophobicContact CE1-CB 3.85Å; Y266-H282 AromaticContact CE1-CD2 3.72Å; Y266-H282 AromaticContact CE1-CG 3.64Å; Y266-H282 HydrophobicContact CE2-CB 4.1Å; Y266-H282 AromaticContact CZ-CG 3.93Å
267D92.4Very high88.5Confident4 Ų437.4 Ų37.42%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-104.2149.1178.6-66.8-55.6000111.1N246 I253 R257 Y258 R259N246-D267 WeakPolarHBondContact CB-O 3.43Å; N246-D267 PolarHBondContact N-O 3.11Å; N246-D267 PolarHBondContact OD1-N 3.49Å; N246-D267 PolarHBondContact OD1-O 3.34Å; I253-D267 HydrophobicContact CD1-CB 4.09Å; R257-D267 IonicContact CZ-OD1 3.51Å; R257-D267 IonicContact CZ-OD2 3.52Å; R257-D267 VanDerWaalsContact NE-CG 3.3Å; R257-D267 IonicContact NE-OD1 2.86Å; R257-D267 PolarHBondContact NE-OD1 3.22Å; R257-D267 IonicContact NE-OD2 3.45Å; R257-D267 PolarHBondContact NE-OD2 3.46Å; R257-D267 IonicContact NH2-OD1 3.38Å; R257-D267 PolarHBondContact NH2-OD1 3.36Å; R257-D267 IonicContact NH2-OD2 2.74Å; R257-D267 PolarHBondContact NH2-OD2 2.68Å; Y258-D267 CarbonylContact O-C 3.01Å; Y258-D267 WeakPolarHBondContact O-CA 3.34Å; R259-D267 WeakPolarHBondContact CB-OD1 3.43Å; R259-D267 IonicContact NE-OD1 3.76Å; R259-D267 PolarHBondContact NE-OD1 3.49Å
268I94.1Very high88.3Confident0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-133.4132178.1-44.2179.1000108I247 Y258 Y266 C272 F273 M284 M288I247-I268 HydrophobicContact CD1-CD1 4.37Å; I247-I268 HydrophobicContact CD1-CG2 3.94Å; I247-I268 HydrophobicContact CG1-CG2 4.39Å; Y258-I268 PolarHBondContact N-O 2.7Å; Y258-I268 PolarHBondContact O-N 3.13Å; Y266-I268 HydrophobicContact CD1-CD1 4.36Å; Y266-I268 HydrophobicContact CD1-CG1 4.05Å; Y266-I268 HydrophobicContact CE1-CD1 3.82Å; Y266-I268 HydrophobicContact CE1-CG1 3.7Å; I268-C272 HydrophobicContact CG2-CB 3.53Å; I268-F273 HydrophobicContact CG2-CB 4.16Å; I268-M284 HydrophobicContact CD1-CE 3.78Å; I268-M288 HydrophobicContact CD1-SD 4.13Å
269C94.9Very high88.1Confident2 Ų242.4 Ų42.41%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-77157.1173.268.30000111.8C245 C248 E250 I253 S271 C272 F273C245-C269 HydrophobicContact CB-CB 4.15Å; C245-C269 PolarHBondContact SG-N 2.9Å; C245-C269 VanDerWaalsContact SG-N 3.39Å; C245-C269 VanDerWaalsContact SG-SG 3.68Å; C248-C269 PolarHBondContact SG-SG 3.43Å; E250-C269 PolarHBondContact OE2-SG 3.35Å; I253-C269 HydrophobicContact CB-CB 4.5Å; I253-C269 HydrophobicContact CD1-CB 4.29Å; I253-C269 HydrophobicContact CG1-CB 4.05Å; I253-C269 HydrophobicContact CG2-CB 3.84Å; C269-S271 VanDerWaalsContact C-N 3.33Å; C269-S271 PolarHBondContact O-N 2.93Å; C269-C272 PolarHBondContact O-N 2.98Å; C269-C272 VanDerWaalsContact O-N 3.08Å; C269-F273 PolarHBondContact O-N 2.98Å
270Q93.7Very high87.9Confident46 Ų4649.1 Ų49.122%0.21525%0.248CC..Hα-helixtrans-37.2-56173.2-174.6174.8-42.100114.1F256 C272 F273 F274F256-Q270 HydrophobicContact CB-CB 4.09Å; F256-Q270 HydrophobicContact CB-CG 4.39Å; F256-Q270 HydrophobicContact CD2-CG 4.03Å; F256-Q270 VanDerWaalsContact N-OE1 3.14Å; F256-Q270 PolarHBondContact O-N 3.47Å; Q270-C272 PolarHBondContact O-N 2.89Å; Q270-F273 PolarHBondContact O-N 3.17Å; Q270-F274 HydrophobicContact CG-CD2 3.68Å; Q270-F274 HydrophobicContact CG-CE2 3.34Å; Q270-F274 HydrophobicContact CG-CG 4.42Å; Q270-F274 HydrophobicContact CG-CZ 3.84Å; Q270-F274 WeakPolarHBondContact O-CB 3.33Å; Q270-F274 WeakPolarHBondContact O-CG 3.47Å; Q270-F274 PolarHBondContact O-N 3.05Å
271S93Very high87.5Confident65 Ų6552 Ų5246%0.45528%0.278SS..Hα-helixtrans-58.6-48-178.6174.20000112.6C269 F273 S275C269-S271 VanDerWaalsContact C-N 3.33Å; C269-S271 PolarHBondContact O-N 2.93Å; S271-F273 VanDerWaalsContact C-N 3.35Å; S271-F273 PolarHBondContact O-N 3.49Å; S271-S275 WeakPolarHBondContact O-CB 3.3Å; S271-S275 PolarHBondContact O-N 2.86Å; S271-S275 VanDerWaalsContact O-N 3.07Å; S271-S275 PolarHBondContact O-OG 2.86Å
272C93.3Very high87.5Confident1 Ų151 Ų511%0.00727%0.273CS..Hα-helixtrans-66.4-35.9178.9-75.10000112.7I247 I268 C269 Q270 G276 R277I247-C272 HydrophobicContact CB-CB 4.16Å; I247-C272 HydrophobicContact CD1-CB 4.27Å; I247-C272 HydrophobicContact CG2-CB 4.36Å; I268-C272 HydrophobicContact CG2-CB 3.53Å; C269-C272 PolarHBondContact O-N 2.98Å; C269-C272 VanDerWaalsContact O-N 3.08Å; Q270-C272 PolarHBondContact O-N 2.89Å; C272-G276 PolarHBondContact O-N 3.31Å; C272-R277 HydrophobicContact CB-CB 4.46Å; C272-R277 PolarHBondContact O-N 3.38Å
273F91.4Very high87.5Confident1 Ų151.4 Ų51.40%0.00427%0.274CS..Hα-helixtrans-71.8-48.4177.8-179.4-111.2000112.1F35 Y258 I268 C269 Q270 S271 S275 G276 M284 M288 Y326F35-F273 HydrophobicContact CD2-CD1 4.18Å; F35-F273 AromaticContact CD2-CE1 3.7Å; F35-F273 HydrophobicContact CD2-CE1 3.7Å; F35-F273 HydrophobicContact CD2-CZ 4.02Å; F35-F273 AromaticContact CE2-CD1 3.83Å; F35-F273 HydrophobicContact CE2-CD1 3.83Å; F35-F273 HydrophobicContact CE2-CD2 4.13Å; F35-F273 AromaticContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE1 3.41Å; F35-F273 VanDerWaalsContact CE2-CE1 3.41Å; F35-F273 AromaticContact CE2-CE2 3.73Å; F35-F273 HydrophobicContact CE2-CE2 3.73Å; F35-F273 HydrophobicContact CE2-CG 4.17Å; F35-F273 AromaticContact CE2-CZ 3.35Å; F35-F273 HydrophobicContact CE2-CZ 3.35Å; F35-F273 WeakPolarHBondContact CE2-O 3.47Å; F35-F273 HydrophobicContact CZ-CE1 4.21Å; F35-F273 AromaticContact CZ-CE2 3.89Å; F35-F273 HydrophobicContact CZ-CE2 3.89Å; F35-F273 AromaticContact CZ-CZ 3.69Å; F35-F273 HydrophobicContact CZ-CZ 3.69Å; Y258-F273 AromaticContact CD1-CD1 3.96Å; Y258-F273 HydrophobicContact CD1-CD1 3.96Å; Y258-F273 HydrophobicContact CD1-CD2 4.45Å; Y258-F273 AromaticContact CD1-CE1 3.93Å; Y258-F273 HydrophobicContact CD1-CE1 3.93Å; Y258-F273 HydrophobicContact CD1-CE2 4.44Å; Y258-F273 HydrophobicContact CD1-CG 4.22Å; Y258-F273 HydrophobicContact CD1-CZ 4.18Å; Y258-F273 HydrophobicContact CD2-CB 3.45Å; Y258-F273 VanDerWaalsContact CD2-CB 3.45Å; Y258-F273 AromaticContact CD2-CD1 3.54Å; Y258-F273 HydrophobicContact CD2-CD1 3.54Å; Y258-F273 HydrophobicContact CD2-CD2 4.24Å; Y258-F273 HydrophobicContact CD2-CE1 4.34Å; Y258-F273 AromaticContact CD2-CG 3.47Å; Y258-F273 HydrophobicContact CD2-CG 3.47Å; Y258-F273 VanDerWaalsContact CD2-CG 3.47Å; Y258-F273 AromaticContact CE1-CD1 3.65Å; Y258-F273 HydrophobicContact CE1-CD1 3.65Å; Y258-F273 AromaticContact CE1-CE1 3.5Å; Y258-F273 HydrophobicContact CE1-CE1 3.5Å; Y258-F273 HydrophobicContact CE1-CG 4.36Å; Y258-F273 HydrophobicContact CE1-CZ 4.12Å; Y258-F273 HydrophobicContact CE2-CB 3.72Å; Y258-F273 AromaticContact CE2-CD1 3.18Å; Y258-F273 HydrophobicContact CE2-CD1 3.18Å; Y258-F273 AromaticContact CE2-CE1 3.94Å; Y258-F273 HydrophobicContact CE2-CE1 3.94Å; Y258-F273 AromaticContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CG-CB 4.16Å; Y258-F273 AromaticContact CG-CD1 3.91Å; Y258-F273 HydrophobicContact CG-CD1 3.91Å; Y258-F273 HydrophobicContact CG-CD2 4.12Å; Y258-F273 HydrophobicContact CG-CE1 4.33Å; Y258-F273 AromaticContact CG-CG 3.79Å; Y258-F273 HydrophobicContact CG-CG 3.79Å; Y258-F273 AromaticContact CZ-CD1 3.26Å; Y258-F273 AromaticContact CZ-CE1 3.53Å; I268-F273 HydrophobicContact CG2-CB 4.16Å; C269-F273 PolarHBondContact O-N 2.98Å; Q270-F273 PolarHBondContact O-N 3.17Å; S271-F273 VanDerWaalsContact C-N 3.35Å; S271-F273 PolarHBondContact O-N 3.49Å; F273-S275 PolarHBondContact O-N 3.32Å; F273-G276 WeakPolarHBondContact O-CA 3.34Å; F273-G276 PolarHBondContact O-N 3.39Å; F273-M284 HydrophobicContact CD2-SD 4.03Å; F273-M284 HydrophobicContact CE2-SD 4.29Å; F273-M288 HydrophobicContact CD2-CE 4.39Å; F273-M288 HydrophobicContact CD2-SD 4.45Å; F273-M288 HydrophobicContact CE2-CE 3.69Å; F273-M288 HydrophobicContact CE2-SD 4.24Å; F273-Y326 HydrophobicContact CZ-CE2 4.22Å
274F91.2Very high87.2Confident9 Ų950.7 Ų50.74%0.03927%0.272CS..Hα-helixtrans-67.1-33.5-179.1-69-8000113.4V33 R34 F35 Y38 M42 F256 Y258 Q270 G276V33-F274 HydrophobicContact CG1-CB 4.11Å; V33-F274 HydrophobicContact CG1-CD2 4.15Å; V33-F274 HydrophobicContact CG1-CG 4.03Å; V33-F274 HydrophobicContact CG2-CB 4.45Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å; R34-F274 VanDerWaalsContact CB-O 3.24Å; R34-F274 WeakPolarHBondContact CB-O 3.29Å; R34-F274 PolarHBondContact N-O 3.48Å; F35-F274 HydrophobicContact CD2-CD1 4.27Å; Y38-F274 AromaticContact CD1-CE1 3.6Å; Y38-F274 HydrophobicContact CD1-CE1 3.6Å; Y38-F274 AromaticContact CD1-CZ 3.43Å; Y38-F274 HydrophobicContact CD1-CZ 3.43Å; Y38-F274 VanDerWaalsContact CD1-CZ 3.43Å; Y38-F274 HydrophobicContact CD2-CE1 4.05Å; Y38-F274 HydrophobicContact CE1-CE1 4.16Å; Y38-F274 HydrophobicContact CE1-CZ 4.19Å; Y38-F274 HydrophobicContact CG-CD1 4.45Å; Y38-F274 AromaticContact CG-CE1 3.55Å; Y38-F274 HydrophobicContact CG-CE1 3.55Å; Y38-F274 AromaticContact CG-CZ 3.71Å; Y38-F274 HydrophobicContact CG-CZ 3.71Å; M42-F274 HydrophobicContact CE-CE2 4.48Å; M42-F274 HydrophobicContact SD-CD2 3.82Å; M42-F274 HydrophobicContact SD-CE2 3.48Å; M42-F274 WeakPolarHBondContact SD-CE2 3.35Å; F256-F274 HydrophobicContact CD2-CE2 4.49Å; F256-F274 AromaticContact CD2-CZ 3.87Å; F256-F274 HydrophobicContact CD2-CZ 3.87Å; F256-F274 AromaticContact CE2-CZ 3.99Å; F256-F274 HydrophobicContact CE2-CZ 3.99Å; Y258-F274 HydrophobicContact CE2-CE1 4.35Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.16Å; Q270-F274 HydrophobicContact CG-CD2 3.68Å; Q270-F274 HydrophobicContact CG-CE2 3.34Å; Q270-F274 HydrophobicContact CG-CG 4.42Å; Q270-F274 HydrophobicContact CG-CZ 3.84Å; Q270-F274 WeakPolarHBondContact O-CB 3.33Å; Q270-F274 WeakPolarHBondContact O-CG 3.47Å; Q270-F274 PolarHBondContact O-N 3.05Å; F274-G276 PolarHBondContact O-N 3.47Å
275S88.6Confident87Confident55 Ų5550.9 Ų50.939%0.38527%0.274SS..THydrogen-bonded Turntrans-74.7-2.7167.1-660000113.8S271 F273 R277S271-S275 WeakPolarHBondContact O-CB 3.3Å; S271-S275 PolarHBondContact O-N 2.86Å; S271-S275 VanDerWaalsContact O-N 3.07Å; S271-S275 PolarHBondContact O-OG 2.86Å; F273-S275 PolarHBondContact O-N 3.32Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 2.93Å
276G86.9Confident86.9Confident11 Ų1147.7 Ų47.711%0.11326%0.255CS..THydrogen-bonded Turntrans63.624.6-179.400000115.2C272 F273 F274C272-G276 PolarHBondContact O-N 3.31Å; F273-G276 WeakPolarHBondContact O-CA 3.34Å; F273-G276 PolarHBondContact O-N 3.39Å; F274-G276 PolarHBondContact O-N 3.47Å
277R88.6Confident86.1Confident132 Ų13249.7 Ų49.750%0.49827%0.268SS..  trans-67.6145.9-177.7-58.2-178.2-168.1-1662.5110.2I247 C272 S275 M284I247-R277 HydrophobicContact CD1-CB 4.29Å; I247-R277 WeakPolarHBondContact CD1-O 3.48Å; I247-R277 HydrophobicContact CG2-CB 4.09Å; C272-R277 HydrophobicContact CB-CB 4.46Å; C272-R277 PolarHBondContact O-N 3.38Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 2.93Å; R277-M284 WeakPolarHBondContact O-CE 3.08Å
278V87.2Confident85.6Confident87 Ų8750.3 Ų50.353%0.52727%0.272SS..  trans-128.6152.1178.8-73.30000111.3H282 M284V278-H282 WeakPolarHBondContact CB-O 3.24Å; V278-H282 WeakPolarHBondContact CG1-O 3.47Å; V278-M284 HydrophobicContact CG1-CE 3.9Å; V278-M284 HydrophobicContact CG1-CG 3.96Å
279A88.8Confident85.1Confident28 Ų2851.5 Ų51.523%0.23128%0.279CS..  trans-149.8163.3173.300000110.6I247 Y266 G281 H282I247-A279 HydrophobicContact CG1-CB 4.04Å; Y266-A279 PolarHBondContact OH-O 2.98Å; Y266-A279 VanDerWaalsContact OH-O 3.07Å; A279-G281 PolarHBondContact O-N 3.21Å; A279-H282 WeakPolarHBondContact O-CB 3.35Å; A279-H282 PolarHBondContact O-N 3.36Å
280K82.9Confident84.8Confident168 Ų16852.9 Ų52.973%0.7329%0.285SS*.THydrogen-bonded Turntrans45.341.8173.7-58.8-171.5171.8-1670114.5Y266 H282Y266-K280 HydrophobicContact CE2-CB 4.33Å; K280-H282 PolarHBondContact O-N 3.3Å; K280-H282 VanDerWaalsContact O-N 3.16Å
281G78.1Confident84.4Confident60 Ų6051.5 Ų51.562%0.61928%0.278SS*.THydrogen-bonded Turntrans67.69.5179.600000116.1A279A279-G281 PolarHBondContact O-N 3.21Å
282H82.5Confident84Confident5 Ų549.6 Ų49.62%0.02326%0.264CS..  trans-68.3136.9170.4-169.8-85.5000110.3S260 H263 Y266 V278 A279 K280 Y286S260-H282 WeakPolarHBondContact CB-NE2 3.36Å; S260-H282 PolarHBondContact OG-CD2 3.35Å; S260-H282 PolarHBondContact OG-NE2 3.49Å; H263-H282 AromaticContact ND1-CD2 3.71Å; Y266-H282 AromaticContact CD1-CD2 3.73Å; Y266-H282 HydrophobicContact CE1-CB 3.85Å; Y266-H282 AromaticContact CE1-CD2 3.72Å; Y266-H282 AromaticContact CE1-CG 3.64Å; Y266-H282 HydrophobicContact CE2-CB 4.1Å; Y266-H282 AromaticContact CZ-CG 3.93Å; V278-H282 WeakPolarHBondContact CB-O 3.24Å; V278-H282 WeakPolarHBondContact CG1-O 3.47Å; A279-H282 WeakPolarHBondContact O-CB 3.35Å; A279-H282 PolarHBondContact O-N 3.36Å; K280-H282 PolarHBondContact O-N 3.3Å; K280-H282 VanDerWaalsContact O-N 3.16Å; H282-Y286 AromaticContact CD2-CD2 3.78Å; H282-Y286 AromaticContact NE2-CD2 3.86Å
283K79.4Confident83.5Confident114 Ų11453 Ų5350%0.49629%0.285SS..  trans-114.9138.1175.5-59.1-168.2178.8-166.80109.4H285 Y286K283-H285 PolarHBondContact O-N 2.88Å; K283-H285 VanDerWaalsContact O-N 3.1Å; K283-Y286 HydrophobicContact CB-CD1 4.13Å; K283-Y286 HydrophobicContact CB-CD2 4.34Å; K283-Y286 HydrophobicContact CB-CE1 3.85Å; K283-Y286 HydrophobicContact CB-CE2 4.09Å; K283-Y286 HydrophobicContact CB-CG 4.36Å; K283-Y286 HydrophobicContact CD-CE1 4.33Å; K283-Y286 HydrophobicContact CG-CE1 4.17Å; K283-Y286 HydrophobicContact CG-CE2 4.27Å; K283-Y286 VanDerWaalsContact N-CE2 3.29Å; K283-Y286 WeakPolarHBondContact O-CB 3.25Å; K283-Y286 PolarHBondContact O-N 2.76Å
284M74.7Confident82.8Confident33 Ų3356.6 Ų56.616%0.16331%0.309CS..THydrogen-bonded Turntrans-60.5-20.6-176.3-71.4-70.5102.200114.5I268 F273 R277 V278 Y286 M288I268-M284 HydrophobicContact CD1-CE 3.78Å; F273-M284 HydrophobicContact CD2-SD 4.03Å; F273-M284 HydrophobicContact CE2-SD 4.29Å; R277-M284 WeakPolarHBondContact O-CE 3.08Å; V278-M284 HydrophobicContact CG1-CE 3.9Å; V278-M284 HydrophobicContact CG1-CG 3.96Å; M284-Y286 VanDerWaalsContact C-N 3.32Å; M284-M288 VanDerWaalsContact O-CE 3.23Å; M284-M288 WeakPolarHBondContact O-CE 3.14Å
285H73.6Confident81.7Confident140 Ų14057.6 Ų57.665%0.64832%0.315SS*.THydrogen-bonded Turntrans-82.5-1.6174.464.8-119.5000114.2K283K283-H285 PolarHBondContact O-N 2.88Å; K283-H285 VanDerWaalsContact O-N 3.1Å
286Y79.4Confident80.5Confident33 Ų3358.5 Ų58.513%0.12932%0.319CS..SBendtrans-68.5139.1173.4-66-17.9000109.6K262 H263 H282 K283 M284 M288K262-Y286 HydrophobicContact CB-CD2 4.44Å; K262-Y286 HydrophobicContact CB-CG 4.44Å; K262-Y286 HydrophobicContact CD-CD1 3.78Å; K262-Y286 HydrophobicContact CD-CD2 3.73Å; K262-Y286 HydrophobicContact CD-CE1 3.84Å; K262-Y286 HydrophobicContact CD-CE2 3.77Å; K262-Y286 HydrophobicContact CD-CG 3.74Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.26Å; K262-Y286 PolarHBondContact NZ-OH 3.13Å; K262-Y286 VanDerWaalsContact NZ-OH 3.09Å; H263-Y286 AromaticContact CE1-CE2 3.87Å; H263-Y286 AromaticContact NE2-CE2 3.51Å; H282-Y286 AromaticContact CD2-CD2 3.78Å; H282-Y286 AromaticContact NE2-CD2 3.86Å; K283-Y286 HydrophobicContact CB-CD1 4.13Å; K283-Y286 HydrophobicContact CB-CD2 4.34Å; K283-Y286 HydrophobicContact CB-CE1 3.85Å; K283-Y286 HydrophobicContact CB-CE2 4.09Å; K283-Y286 HydrophobicContact CB-CG 4.36Å; K283-Y286 HydrophobicContact CD-CE1 4.33Å; K283-Y286 HydrophobicContact CG-CE1 4.17Å; K283-Y286 HydrophobicContact CG-CE2 4.27Å; K283-Y286 VanDerWaalsContact N-CE2 3.29Å; K283-Y286 WeakPolarHBondContact O-CB 3.25Å; K283-Y286 PolarHBondContact O-N 2.76Å; M284-Y286 VanDerWaalsContact C-N 3.32Å; Y286-M288 WeakPolarHBondContact O-CE 3.35Å; Y286-M288 PolarHBondContact O-N 3.31Å
287P73.9Confident78.9Confident49 Ų4962.9 Ų62.932%0.31835%0.347SS..  trans-57.5134.9179.2-2231.2000111L261 F318L261-P287 HydrophobicContact CB-CB 4.24Å; L261-P287 WeakPolarHBondContact CB-O 3.4Å; L261-P287 HydrophobicContact CD1-CB 4.11Å; L261-P287 PolarHBondContact N-O 3.37Å; P287-F318 HydrophobicContact CG-CD1 3.62Å; P287-F318 HydrophobicContact CG-CE1 4.09Å; P287-F318 HydrophobicContact CG-CG 4.43Å
288M82.3Confident77.3Confident18 Ų1858.1 Ų58.19%0.08934%0.339CS..EExtended strand (participates in β ladder)trans-128.8152.7179.8-76.6171.4-74.500109.9R259 I268 F273 M284 Y286 M324R259-M288 CarbonylContact O-C 3.12Å; R259-M288 WeakPolarHBondContact O-CA 3.49Å; R259-M288 WeakPolarHBondContact O-CB 3.48Å; I268-M288 HydrophobicContact CD1-SD 4.13Å; F273-M288 HydrophobicContact CD2-CE 4.39Å; F273-M288 HydrophobicContact CD2-SD 4.45Å; F273-M288 HydrophobicContact CE2-CE 3.69Å; F273-M288 HydrophobicContact CE2-SD 4.24Å; M284-M288 VanDerWaalsContact O-CE 3.23Å; M284-M288 WeakPolarHBondContact O-CE 3.14Å; Y286-M288 WeakPolarHBondContact O-CE 3.35Å; Y286-M288 PolarHBondContact O-N 3.31Å; M288-M324 WeakPolarHBondContact O-CE 3.24Å
289V83.4Confident75.8Confident25 Ų2556.5 Ų56.515%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-97130.8162.4177.60000107.4Y258 R259 L261 Y291Y258-V289 CarbonylContact C-O 3.6Å; Y258-V289 WeakPolarHBondContact CA-O 3.48Å; R259-V289 PolarHBondContact N-O 2.66Å; R259-V289 PolarHBondContact O-N 3.38Å; L261-V289 HydrophobicContact CD1-CG2 3.92Å; L261-V289 HydrophobicContact CD2-CG2 3.69Å; L261-V289 HydrophobicContact CG-CG2 3.85Å; V289-Y291 HydrophobicContact CB-CE2 4.33Å; V289-Y291 HydrophobicContact CG1-CD1 4.1Å; V289-Y291 HydrophobicContact CG1-CD2 4.38Å; V289-Y291 HydrophobicContact CG1-CE1 3.63Å; V289-Y291 HydrophobicContact CG1-CE2 3.97Å; V289-Y291 HydrophobicContact CG1-CG 4.46Å
290E87.9Confident74.2Confident31 Ų3157.8 Ų57.815%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-88.7136.7165.8175.1168.571.900109.5Y38 R232 F256 Y258Y38-E290 VanDerWaalsContact CE1-OE2 3.3Å; Y38-E290 WeakPolarHBondContact CE1-OE2 3.37Å; Y38-E290 VanDerWaalsContact OH-CD 3.28Å; Y38-E290 PolarHBondContact OH-OE1 3.39Å; Y38-E290 PolarHBondContact OH-OE2 3.33Å; R232-E290 WeakPolarHBondContact CD-OE1 3.46Å; R232-E290 IonicContact CZ-OE1 3.94Å; R232-E290 IonicContact NE-OE1 3.27Å; R232-E290 PolarHBondContact NE-OE1 3.18Å; R232-E290 IonicContact NH2-OE1 3.03Å; F256-E290 HydrophobicContact CD1-CG 3.67Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.33Å; F256-E290 HydrophobicContact CE1-CG 3.99Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.3Å; Y258-E290 HydrophobicContact CD1-CB 4.06Å; Y258-E290 HydrophobicContact CD1-CG 4.34Å; Y258-E290 HydrophobicContact CE1-CB 3.81Å; Y258-E290 HydrophobicContact CE1-CG 3.71Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.3Å; Y258-E290 PolarHBondContact OH-OE2 3.43Å
291Y84.8Confident72.8Confident17 Ų1754.6 Ų54.67%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-120.9129.5163.2-47.9-84.9000109.1R257 R259 V289 T295 D303R257-Y291 HydrophobicContact CB-CD2 4.15Å; R257-Y291 HydrophobicContact CG-CD2 3.91Å; R257-Y291 PolarHBondContact N-O 2.9Å; R257-Y291 VanDerWaalsContact N-O 3.08Å; R257-Y291 WeakPolarHBondContact O-CD2 3.12Å; R257-Y291 PolarHBondContact O-N 3.1Å; R259-Y291 HydrophobicContact CB-CE2 3.78Å; R259-Y291 PolarHBondContact NH1-OH 3.03Å; V289-Y291 HydrophobicContact CB-CE2 4.33Å; V289-Y291 HydrophobicContact CG1-CD1 4.1Å; V289-Y291 HydrophobicContact CG1-CD2 4.38Å; V289-Y291 HydrophobicContact CG1-CE1 3.63Å; V289-Y291 HydrophobicContact CG1-CE2 3.97Å; V289-Y291 HydrophobicContact CG1-CG 4.46Å; Y291-T295 HydrophobicContact CD1-CG2 3.33Å; Y291-T295 HydrophobicContact CD2-CG2 4.02Å; Y291-T295 HydrophobicContact CE1-CG2 3.72Å; Y291-T295 HydrophobicContact CE2-CG2 4.33Å; Y291-T295 HydrophobicContact CG-CG2 3.48Å; Y291-T295 VanDerWaalsContact CG-CG2 3.48Å; Y291-D303 VanDerWaalsContact CE1-OD2 3.24Å; Y291-D303 WeakPolarHBondContact CE1-OD2 3.3Å; Y291-D303 VanDerWaalsContact CZ-OD2 3.3Å; Y291-D303 VanDerWaalsContact OH-CG 3.32Å; Y291-D303 PolarHBondContact OH-OD2 3.02Å
292C84.9Confident71.9Confident24 Ų2458.7 Ų58.716%0.16232%0.32CS..  trans-118.69.9176.1620000112.6R232 A235 A236 F256R232-C292 HydrophobicContact CB-CB 4.29Å; R232-C292 WeakPolarHBondContact O-CB 3.26Å; A235-C292 CarbonylContact C-O 3.51Å; A235-C292 HydrophobicContact CB-CB 4.43Å; A235-C292 WeakPolarHBondContact CB-O 3.2Å; A236-C292 WeakPolarHBondContact CA-O 3.28Å; A236-C292 HydrophobicContact CB-CB 4.06Å; A236-C292 PolarHBondContact N-O 3.48Å; F256-C292 HydrophobicContact CD1-CB 3.82Å; F256-C292 HydrophobicContact CE1-CB 3.6Å
293T83.8Confident70.3Confident73 Ų7358.8 Ų58.845%0.44832%0.321SS..SBendtrans-138.5152.2178.150.90000109.2A235 H241 T295A235-T293 HydrophobicContact CB-CG2 4.37Å; H241-T293 PolarHBondContact CE1-O 2.9Å; T293-T295 PolarHBondContact O-N 3.49Å; T293-T295 VanDerWaalsContact O-N 3.07Å
294P76.1Confident68.9Low77 Ų7758.6 Ų58.650%0.532%0.32SS..  trans-54.9115.8178.8-26.335.2000112.4T296P294-T296 PolarHBondContact O-N 2.85Å
295T68.1Low67.9Low29 Ų2959.7 Ų59.718%0.17834%0.335CS..  trans-67.4122.9-176.139.30000111.9H241 R257 Y291 T293H241-T295 PolarHBondContact ND1-OG1 3.01Å; R257-T295 PolarHBondContact NH1-OG1 2.74Å; Y291-T295 HydrophobicContact CD1-CG2 3.33Å; Y291-T295 HydrophobicContact CD2-CG2 4.02Å; Y291-T295 HydrophobicContact CE1-CG2 3.72Å; Y291-T295 HydrophobicContact CE2-CG2 4.33Å; Y291-T295 HydrophobicContact CG-CG2 3.48Å; Y291-T295 VanDerWaalsContact CG-CG2 3.48Å; T293-T295 PolarHBondContact O-N 3.49Å; T293-T295 VanDerWaalsContact O-N 3.07Å
296T62.1Low67.1Low75 Ų7558 Ų5846%0.4633%0.325SS..  trans-80.5155.3173.164.60000111.5P294 G298 E299 D300P294-T296 PolarHBondContact O-N 2.85Å; T296-G298 PolarHBondContact O-N 3.4Å; T296-E299 WeakPolarHBondContact CB-OE2 3.48Å; T296-E299 PolarHBondContact N-OE2 3.33Å; T296-E299 WeakPolarHBondContact O-CB 3.48Å; T296-E299 PolarHBondContact O-N 3.12Å; T296-E299 VanDerWaalsContact OG1-CD 3.23Å; T296-E299 WeakPolarHBondContact OG1-CG 3.39Å; T296-E299 PolarHBondContact OG1-OE2 2.7Å; T296-D300 PolarHBondContact O-N 2.86Å
297S54.6Low65.8Low102 Ų10256.9 Ų56.971%0.71332%0.322SS*.Hα-helixtrans-59.5-30.418052.30000113.5E299 V301S297-E299 VanDerWaalsContact C-N 3.28Å; S297-E299 PolarHBondContact O-N 3.02Å; S297-V301 WeakPolarHBondContact O-CG2 3.48Å; S297-V301 PolarHBondContact O-N 3.03Å
298G55.3Low64.8Low32 Ų3258.1 Ų58.133%0.3333%0.326SS..Hα-helixtrans-67.8-24173.800000114T296 R302T296-G298 PolarHBondContact O-N 3.4Å; G298-R302 WeakPolarHBondContact O-CG 3.32Å; G298-R302 PolarHBondContact O-N 2.78Å; G298-R302 VanDerWaalsContact O-N 3.13Å
299E56.2Low63.3Low54 Ų5464.2 Ų64.225%0.25235%0.352SS..Hα-helixtrans-80.7-41.2177.6-70.7163.2139.700111.5T296 S297 V301 R302 D303T296-E299 WeakPolarHBondContact CB-OE2 3.48Å; T296-E299 PolarHBondContact N-OE2 3.33Å; T296-E299 WeakPolarHBondContact O-CB 3.48Å; T296-E299 PolarHBondContact O-N 3.12Å; T296-E299 VanDerWaalsContact OG1-CD 3.23Å; T296-E299 WeakPolarHBondContact OG1-CG 3.39Å; T296-E299 PolarHBondContact OG1-OE2 2.7Å; S297-E299 VanDerWaalsContact C-N 3.28Å; S297-E299 PolarHBondContact O-N 3.02Å; E299-V301 PolarHBondContact O-N 3.33Å; E299-R302 PolarHBondContact O-N 2.72Å; E299-R302 VanDerWaalsContact O-N 3.13Å; E299-R302 IonicContact OE1-NH2 3.35Å; E299-D303 PolarHBondContact O-N 2.89Å
300D53.8Low61.6Low54 Ų5463.9 Ų63.929%0.28935%0.349SS..Hα-helixtrans-55.1-39.6170.5-82.6-50000111.8R257 R259 T296 F304R257-D300 IonicContact NH1-OD1 3.91Å; R259-D300 IonicContact CZ-OD1 3.79Å; R259-D300 IonicContact NH1-OD1 3.43Å; R259-D300 PolarHBondContact NH1-OD1 2.87Å; R259-D300 IonicContact NH2-OD1 3.71Å; R259-D300 PolarHBondContact NH2-OD1 3.36Å; T296-D300 PolarHBondContact O-N 2.86Å; D300-F304 VanDerWaalsContact O-CB 3.3Å; D300-F304 WeakPolarHBondContact O-CB 3.48Å; D300-F304 PolarHBondContact O-N 3.42Å
301V54.7Low59.8Low102 Ų10268.4 Ų68.462%0.61837%0.368SS*.Hα-helixtrans-69.6-43.5174.7175.50000112.3S297 E299 D303 F304 A305S297-V301 WeakPolarHBondContact O-CG2 3.48Å; S297-V301 PolarHBondContact O-N 3.03Å; E299-V301 PolarHBondContact O-N 3.33Å; V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 PolarHBondContact O-N 3.27Å; V301-F304 PolarHBondContact O-N 2.83Å; V301-A305 PolarHBondContact O-N 3.41Å; V301-A305 VanDerWaalsContact O-N 3.1Å
302R58.9Low58Low146 Ų14676.1 Ų76.155%0.55140%0.403SS*.Hα-helixtrans-60-41175.5-77.3-171.5-68.7-109.115.6111.7G298 E299 A305 K306G298-R302 WeakPolarHBondContact O-CG 3.32Å; G298-R302 PolarHBondContact O-N 2.78Å; G298-R302 VanDerWaalsContact O-N 3.13Å; E299-R302 PolarHBondContact O-N 2.72Å; E299-R302 VanDerWaalsContact O-N 3.13Å; E299-R302 IonicContact OE1-NH2 3.35Å; R302-A305 PolarHBondContact O-N 3.17Å; R302-K306 WeakPolarHBondContact O-CG 3Å; R302-K306 PolarHBondContact O-N 3.12Å; R302-K306 VanDerWaalsContact O-N 3.09Å
303D49.4Very low56.4Low7 Ų779.2 Ų79.24%0.03741%0.411CS..Hα-helixtrans-80-28.6-179.3-69.1-36.6000113.1Y291 E299 V301 A305 K306 V307Y291-D303 VanDerWaalsContact CE1-OD2 3.24Å; Y291-D303 WeakPolarHBondContact CE1-OD2 3.3Å; Y291-D303 VanDerWaalsContact CZ-OD2 3.3Å; Y291-D303 VanDerWaalsContact OH-CG 3.32Å; Y291-D303 PolarHBondContact OH-OD2 3.02Å; E299-D303 PolarHBondContact O-N 2.89Å; V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 PolarHBondContact O-N 3.27Å; D303-A305 VanDerWaalsContact C-N 3.3Å; D303-A305 PolarHBondContact O-N 3.31Å; D303-K306 PolarHBondContact O-N 3.39Å; D303-K306 VanDerWaalsContact OD1-CD 3.22Å; D303-K306 WeakPolarHBondContact OD1-CD 3.31Å; D303-K306 WeakPolarHBondContact OD1-CE 3.19Å; D303-K306 IonicContact OD1-NZ 2.69Å; D303-K306 PolarHBondContact OD1-NZ 3.3Å; D303-V307 WeakPolarHBondContact O-CB 3.47Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.09Å; D303-V307 PolarHBondContact O-N 3.48Å
304F49.7Very low54.5Low109 Ų10980.3 Ų80.348%0.47842%0.418SS..Hα-helixtrans-57-44.6165179.4-94.6000111.3F264 D300 V301 V307 L308F264-F304 HydrophobicContact CE2-CD2 4.18Å; F264-F304 HydrophobicContact CE2-CE2 4.03Å; D300-F304 VanDerWaalsContact O-CB 3.3Å; D300-F304 WeakPolarHBondContact O-CB 3.48Å; D300-F304 PolarHBondContact O-N 3.42Å; V301-F304 PolarHBondContact O-N 2.83Å; F304-V307 PolarHBondContact O-N 2.81Å; F304-L308 HydrophobicContact CD1-CD1 4.17Å; F304-L308 HydrophobicContact CD2-CD1 4.43Å; F304-L308 HydrophobicContact CE1-CD1 3.75Å; F304-L308 HydrophobicContact CE1-CD2 4.3Å; F304-L308 HydrophobicContact CE2-CD1 4.03Å; F304-L308 HydrophobicContact CG-CD1 4.5Å; F304-L308 HydrophobicContact CZ-CD1 3.67Å; F304-L308 PolarHBondContact O-N 3.3Å
305A54.2Low53.3Low56 Ų5686.1 Ų86.146%0.46344%0.435SS..Hα-helixtrans-64.1-39.7174.600000112.7V301 R302 D303 L308 K309V301-A305 PolarHBondContact O-N 3.41Å; V301-A305 VanDerWaalsContact O-N 3.1Å; R302-A305 PolarHBondContact O-N 3.17Å; D303-A305 VanDerWaalsContact C-N 3.3Å; D303-A305 PolarHBondContact O-N 3.31Å; A305-L308 PolarHBondContact O-N 2.92Å; A305-K309 WeakPolarHBondContact O-CB 3.43Å; A305-K309 PolarHBondContact O-N 3.17Å
306K54.7Low52Low104 Ų10494.9 Ų94.945%0.45247%0.465SS..Hα-helixtrans-63.3-40.7172-66.2179.7-155157.50112.1R302 D303 K309 N310R302-K306 WeakPolarHBondContact O-CG 3Å; R302-K306 PolarHBondContact O-N 3.12Å; R302-K306 VanDerWaalsContact O-N 3.09Å; D303-K306 PolarHBondContact O-N 3.39Å; D303-K306 VanDerWaalsContact OD1-CD 3.22Å; D303-K306 WeakPolarHBondContact OD1-CD 3.31Å; D303-K306 WeakPolarHBondContact OD1-CE 3.19Å; D303-K306 IonicContact OD1-NZ 2.69Å; D303-K306 PolarHBondContact OD1-NZ 3.3Å; K306-K309 PolarHBondContact O-N 3.48Å; K306-N310 WeakPolarHBondContact O-CB 3.36Å; K306-N310 VanDerWaalsContact O-CG 3.25Å; K306-N310 PolarHBondContact O-N 3.02Å; K306-N310 PolarHBondContact O-ND2 2.85Å
307V52.9Low51.3Low10 Ų1094.3 Ų94.36%0.06146%0.455CS..Hα-helixtrans-64.5-43.3177.4167.80000111.1L261 D303 F304 N310 K311L261-V307 HydrophobicContact CD2-CG2 3.79Å; D303-V307 WeakPolarHBondContact O-CB 3.47Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.09Å; D303-V307 PolarHBondContact O-N 3.48Å; F304-V307 PolarHBondContact O-N 2.81Å; V307-N310 PolarHBondContact O-N 3.06Å; V307-K311 WeakPolarHBondContact O-CG 3.34Å; V307-K311 PolarHBondContact O-N 2.9Å
308L52.3Low50.9Low75 Ų7593.1 Ų93.139%0.39344%0.437SS..Hα-helixtrans-59.1-53171.3-100.370.3000111F304 A305 N310 K311 F312F304-L308 HydrophobicContact CD1-CD1 4.17Å; F304-L308 HydrophobicContact CD2-CD1 4.43Å; F304-L308 HydrophobicContact CE1-CD1 3.75Å; F304-L308 HydrophobicContact CE1-CD2 4.3Å; F304-L308 HydrophobicContact CE2-CD1 4.03Å; F304-L308 HydrophobicContact CG-CD1 4.5Å; F304-L308 HydrophobicContact CZ-CD1 3.67Å; F304-L308 PolarHBondContact O-N 3.3Å; A305-L308 PolarHBondContact O-N 2.92Å; L308-N310 PolarHBondContact O-N 3.34Å; L308-N310 VanDerWaalsContact O-N 3.15Å; L308-K311 PolarHBondContact O-N 3.16Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å
309K52.5Low50.6Low146 Ų14695.5 Ų95.564%0.63545%0.453SS*.Hα-helixtrans-59.3-28.7179.9-165.6167.8-173.41710112.8A305 K306 R313A305-K309 WeakPolarHBondContact O-CB 3.43Å; A305-K309 PolarHBondContact O-N 3.17Å; K306-K309 PolarHBondContact O-N 3.48Å; K309-R313 WeakPolarHBondContact O-CD 2.81Å; K309-R313 WeakPolarHBondContact O-CG 3.15Å
310N46.1Very low49.9Very low18 Ų18101.6 Ų101.610%0.09648%0.479CS..Hα-helixtrans-83.6-29.6175.8-77.4-15.6000113.9K306 V307 L308 F312 R313 F318K306-N310 WeakPolarHBondContact O-CB 3.36Å; K306-N310 VanDerWaalsContact O-CG 3.25Å; K306-N310 PolarHBondContact O-N 3.02Å; K306-N310 PolarHBondContact O-ND2 2.85Å; V307-N310 PolarHBondContact O-N 3.06Å; L308-N310 PolarHBondContact O-N 3.34Å; L308-N310 VanDerWaalsContact O-N 3.15Å; N310-F312 PolarHBondContact O-N 3.37Å; N310-R313 PolarHBondContact O-N 3.44Å; N310-R313 VanDerWaalsContact O-N 3.11Å; N310-R313 WeakPolarHBondContact OD1-CD 3.37Å; N310-R313 PolarHBondContact OD1-NH1 3.03Å; N310-F318 HydrophobicContact CB-CE1 4.31Å; N310-F318 HydrophobicContact CB-CZ 3.84Å; N310-F318 WeakPolarHBondContact O-CZ 3.15Å
311K50.5Low49.4Very low127 Ų127103.8 Ų103.855%0.55249%0.487SS*.Hα-helixtrans-61.2-30.8172.9-81.3-174.8175.9-174.90113.1V307 L308 R313V307-K311 WeakPolarHBondContact O-CG 3.34Å; V307-K311 PolarHBondContact O-N 2.9Å; L308-K311 PolarHBondContact O-N 3.16Å; K311-R313 VanDerWaalsContact C-N 3.34Å
312F48.4Very low48.9Very low179 Ų179104.9 Ų104.979%0.78550%0.496SS*.THydrogen-bonded Turntrans-85.92.2176.5-64.7-73.1000114.4L308 N310L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å; N310-F312 PolarHBondContact O-N 3.37Å
313R50.2Low48.5Very low88 Ų88105.6 Ų105.633%0.33250%0.499SS..SBendtrans-93.9134.4-179.2-80.3164.6155.4-178.8-12.6111.6K309 N310 K311 Y317 F318K309-R313 WeakPolarHBondContact O-CD 2.81Å; K309-R313 WeakPolarHBondContact O-CG 3.15Å; N310-R313 PolarHBondContact O-N 3.44Å; N310-R313 VanDerWaalsContact O-N 3.11Å; N310-R313 WeakPolarHBondContact OD1-CD 3.37Å; N310-R313 PolarHBondContact OD1-NH1 3.03Å; K311-R313 VanDerWaalsContact C-N 3.34Å; R313-Y317 HydrophobicContact CB-CD1 3.89Å; R313-Y317 HydrophobicContact CB-CG 3.95Å; R313-Y317 HydrophobicContact CG-CD1 4.14Å; R313-Y317 HydrophobicContact CG-CD2 4.3Å; R313-Y317 HydrophobicContact CG-CE1 4.5Å; R313-Y317 HydrophobicContact CG-CG 4.09Å; R313-Y317 PolarHBondContact NH1-OH 2.97Å; R313-Y317 PolarHBondContact NH2-OH 2.89Å; R313-Y317 VanDerWaalsContact NH2-OH 3.09Å; R313-F318 HydrophobicContact CB-CE2 3.8Å; R313-F318 HydrophobicContact CB-CZ 3.87Å; R313-F318 WeakPolarHBondContact O-CE2 3.45Å
314T45Very low48.4Very low97 Ų97108.4 Ų108.460%0.59551%0.513SS*.  trans-70.6161.2-172.261.40000113R316 Y317T314-R316 PolarHBondContact O-N 2.86Å; T314-R316 VanDerWaalsContact O-N 3.09Å; T314-Y317 WeakPolarHBondContact O-CB 3.37Å; T314-Y317 PolarHBondContact O-N 3.43Å
315K48.9Very low48.1Very low199 Ų199104.3 Ų104.387%0.86550%0.502SS*.THydrogen-bonded Turntrans-54-29.9176.8-159.6179.3-178.9-172.60113.1
316R42.4Very low48.1Very low212 Ų212101.9 Ų101.980%0.848%0.48SS*.THydrogen-bonded Turntrans-73.1-30.7174.8-73.9179.6173.8161.3-2.7113.6T314 A319 K320T314-R316 PolarHBondContact O-N 2.86Å; T314-R316 VanDerWaalsContact O-N 3.09Å; R316-A319 PolarHBondContact O-N 3.34Å; R316-K320 PolarHBondContact O-N 3.5Å
317Y45.8Very low48Very low63 Ų6399.4 Ų99.425%0.24747%0.472CS..G310 helixtrans-62.3-48.4176.4177.6-84.7000111R313 T314 A319 K320 H321R313-Y317 HydrophobicContact CB-CD1 3.89Å; R313-Y317 HydrophobicContact CB-CG 3.95Å; R313-Y317 HydrophobicContact CG-CD1 4.14Å; R313-Y317 HydrophobicContact CG-CD2 4.3Å; R313-Y317 HydrophobicContact CG-CE1 4.5Å; R313-Y317 HydrophobicContact CG-CG 4.09Å; R313-Y317 PolarHBondContact NH1-OH 2.97Å; R313-Y317 PolarHBondContact NH2-OH 2.89Å; R313-Y317 VanDerWaalsContact NH2-OH 3.09Å; T314-Y317 WeakPolarHBondContact O-CB 3.37Å; T314-Y317 PolarHBondContact O-N 3.43Å; Y317-A319 PolarHBondContact O-N 3.01Å; Y317-K320 PolarHBondContact O-N 3.16Å; Y317-K320 VanDerWaalsContact O-N 3.11Å; Y317-H321 AromaticContact CD2-CD2 3.52Å; Y317-H321 AromaticContact CD2-NE2 3.71Å; Y317-H321 HydrophobicContact CE1-CB 4.44Å; Y317-H321 AromaticContact CE1-CD2 3.7Å; Y317-H321 AromaticContact CE2-CD2 3.19Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.39Å; Y317-H321 AromaticContact CE2-NE2 3.29Å; Y317-H321 VanDerWaalsContact CE2-NE2 3.29Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.16Å; Y317-H321 AromaticContact CG-CD2 3.91Å; Y317-H321 AromaticContact CZ-CD2 3.25Å; Y317-H321 AromaticContact CZ-CG 3.94Å; Y317-H321 AromaticContact CZ-NE2 3.77Å; Y317-H321 PolarHBondContact O-CD2 3.12Å; Y317-H321 PolarHBondContact O-N 3.09Å
318F47.2Very low47.6Very low77 Ų77102.8 Ų102.834%0.33849%0.494SS..G310 helixtrans-71.7-10-179.5-63.9-66.8000114.6P287 N310 R313P287-F318 HydrophobicContact CG-CD1 3.62Å; P287-F318 HydrophobicContact CG-CE1 4.09Å; P287-F318 HydrophobicContact CG-CG 4.43Å; N310-F318 HydrophobicContact CB-CE1 4.31Å; N310-F318 HydrophobicContact CB-CZ 3.84Å; N310-F318 WeakPolarHBondContact O-CZ 3.15Å; R313-F318 HydrophobicContact CB-CE2 3.8Å; R313-F318 HydrophobicContact CB-CZ 3.87Å; R313-F318 WeakPolarHBondContact O-CE2 3.45Å
319A49.4Very low47.1Very low82 Ų82103.8 Ų103.868%0.67850%0.503SS*.G310 helixtrans-89.1-13.417200000113.2R316 Y317R316-A319 PolarHBondContact O-N 3.34Å; Y317-A319 PolarHBondContact O-N 3.01Å
320K39.9Very low46.2Very low183 Ų183102.8 Ų102.880%0.79650%0.501SS*.SBendtrans-117.96.6-173.6-73.6-160.2170.4-161.80115R316 Y317R316-K320 PolarHBondContact O-N 3.5Å; Y317-K320 PolarHBondContact O-N 3.16Å; Y317-K320 VanDerWaalsContact O-N 3.11Å
321H45.3Very low45.7Very low100 Ų100107.9 Ų107.946%0.46353%0.533SS..SBendtrans-126.5156179.4-72.6-61.2000111.8Y317Y317-H321 AromaticContact CD2-CD2 3.52Å; Y317-H321 AromaticContact CD2-NE2 3.71Å; Y317-H321 HydrophobicContact CE1-CB 4.44Å; Y317-H321 AromaticContact CE1-CD2 3.7Å; Y317-H321 AromaticContact CE2-CD2 3.19Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.39Å; Y317-H321 AromaticContact CE2-NE2 3.29Å; Y317-H321 VanDerWaalsContact CE2-NE2 3.29Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.16Å; Y317-H321 AromaticContact CG-CD2 3.91Å; Y317-H321 AromaticContact CZ-CD2 3.25Å; Y317-H321 AromaticContact CZ-CG 3.94Å; Y317-H321 AromaticContact CZ-NE2 3.77Å; Y317-H321 PolarHBondContact O-CD2 3.12Å; Y317-H321 PolarHBondContact O-N 3.09Å
322P43Very low44.9Very low124 Ų124107.7 Ų107.781%0.80554%0.542SS*.PPolyproline II helixtrans-61.8135.6-144.4-29.936.8000116.1
323R49.6Very low44.1Very low161 Ų161106.7 Ų106.761%0.60854%0.544SS*.PPolyproline II helixtrans-63.7136.2149.6-60.9177-176.4-161.80.9106.6L327R323-L327 HydrophobicContact CB-CD1 4.15Å
324M48.4Very low43.3Very low66 Ų66111.6 Ų111.633%0.32557%0.571SS.*PPolyproline II helixtrans-69.1139.1172.3-54.5-152.9-13500109.2M288 Y326 L327M288-M324 WeakPolarHBondContact O-CE 3.24Å; M324-Y326 HydrophobicContact CB-CD1 3.72Å; M324-Y326 HydrophobicContact CB-CD2 4.42Å; M324-Y326 HydrophobicContact CB-CE1 3.38Å; M324-Y326 HydrophobicContact CB-CE2 4.14Å; M324-Y326 HydrophobicContact CB-CG 4.26Å; M324-Y326 VanDerWaalsContact CE-OH 3.3Å; M324-Y326 WeakPolarHBondContact CE-OH 3.12Å; M324-Y326 HydrophobicContact CG-CE1 3.98Å; M324-Y326 PolarHBondContact O-N 2.76Å; M324-Y326 HydrophobicContact SD-CE1 3.48Å; M324-Y326 WeakPolarHBondContact SD-CE1 3.4Å; M324-Y326 PolarHBondContact SD-OH 2.7Å; M324-Y326 VanDerWaalsContact SD-OH 3.34Å; M324-L327 WeakPolarHBondContact O-CB 3.24Å; M324-L327 WeakPolarHBondContact O-CG 3.45Å; M324-L327 PolarHBondContact O-N 2.95Å
325G42.5Very low42.6Very low24 Ų24110 Ų11025%0.24757%0.574CS.*THydrogen-bonded Turntrans-62.9-11-170.100000116.1Q222Q222-G325 PolarHBondContact NE2-O 2.75Å; Q222-G325 PolarHBondContact OE1-O 3.5Å
326Y54.3Low41.5Very low4 Ų4108.9 Ų108.92%0.01658%0.577CS.*THydrogen-bonded Turntrans-83.2-12.1171.660.5-113.5000114.4Y38 F273 M324Y38-Y326 HydrophobicContact CD2-CD2 4.28Å; Y38-Y326 HydrophobicContact CD2-CG 4.31Å; Y38-Y326 AromaticContact CE2-CD1 3.76Å; Y38-Y326 HydrophobicContact CE2-CD1 3.76Å; Y38-Y326 AromaticContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CD2 3.48Å; Y38-Y326 VanDerWaalsContact CE2-CD2 3.48Å; Y38-Y326 AromaticContact CE2-CE1 3.98Å; Y38-Y326 HydrophobicContact CE2-CE1 3.98Å; Y38-Y326 AromaticContact CE2-CE2 3.71Å; Y38-Y326 HydrophobicContact CE2-CE2 3.71Å; Y38-Y326 AromaticContact CE2-CG 3.46Å; Y38-Y326 HydrophobicContact CE2-CG 3.46Å; Y38-Y326 VanDerWaalsContact CE2-CG 3.46Å; Y38-Y326 AromaticContact CE2-CZ 3.93Å; Y38-Y326 AromaticContact CZ-CD1 3.98Å; Y38-Y326 AromaticContact CZ-CE1 3.95Å; Y38-Y326 WeakPolarHBondContact OH-CD1 3.25Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.37Å; F273-Y326 HydrophobicContact CZ-CE2 4.22Å; M324-Y326 HydrophobicContact CB-CD1 3.72Å; M324-Y326 HydrophobicContact CB-CD2 4.42Å; M324-Y326 HydrophobicContact CB-CE1 3.38Å; M324-Y326 HydrophobicContact CB-CE2 4.14Å; M324-Y326 HydrophobicContact CB-CG 4.26Å; M324-Y326 VanDerWaalsContact CE-OH 3.3Å; M324-Y326 WeakPolarHBondContact CE-OH 3.12Å; M324-Y326 HydrophobicContact CG-CE1 3.98Å; M324-Y326 PolarHBondContact O-N 2.76Å; M324-Y326 HydrophobicContact SD-CE1 3.48Å; M324-Y326 WeakPolarHBondContact SD-CE1 3.4Å; M324-Y326 PolarHBondContact SD-OH 2.7Å; M324-Y326 VanDerWaalsContact SD-OH 3.34Å
327L52.4Low40.7Very low52 Ų52106.4 Ų106.427%0.27258%0.58SS.*SBendtrans-73139.7170.4-62.6178.2000107.7F35 R323 M324 V329F35-L327 HydrophobicContact CD1-CD2 3.96Å; F35-L327 HydrophobicContact CE1-CD2 3.5Å; F35-L327 VanDerWaalsContact CE1-CD2 3.5Å; F35-L327 HydrophobicContact CZ-CD2 4.29Å; R323-L327 HydrophobicContact CB-CD1 4.15Å; M324-L327 WeakPolarHBondContact O-CB 3.24Å; M324-L327 WeakPolarHBondContact O-CG 3.45Å; M324-L327 PolarHBondContact O-N 2.95Å; L327-V329 PolarHBondContact O-N 3.39Å
328P45.6Very low39.7Very low81 Ų81112.1 Ų112.153%0.52661%0.611SS.*  trans-50.4127.9-176.7-29.135.3000112.1Q330P328-Q330 PolarHBondContact O-N 3.09Å
329V41.7Very low38.9Very low97 Ų97117.3 Ų117.359%0.58864%0.636SS**  trans-59.3108.1168.1-178.60000106.4Q222 L327 T331Q222-V329 HydrophobicContact CG-CG2 4.09Å; L327-V329 PolarHBondContact O-N 3.39Å; V329-T331 PolarHBondContact O-N 3.38Å; V329-T331 VanDerWaalsContact O-N 3.15Å
330Q33.8Very low37.8Very low124 Ų124120 Ų12058%0.57964%0.644SS**  trans-72.5108.4173.4-172.3172.41100105.3P328 V332P328-Q330 PolarHBondContact O-N 3.09Å; Q330-V332 PolarHBondContact O-N 2.84Å
331T36.3Very low37.2Very low125 Ų125117.2 Ų117.277%0.76765%0.645SS**  trans-52.3113.7175.135.70000108.1V329 L333V329-T331 PolarHBondContact O-N 3.38Å; V329-T331 VanDerWaalsContact O-N 3.15Å; T331-L333 PolarHBondContact O-N 3.34Å; T331-L333 VanDerWaalsContact O-N 3.14Å
332V32.3Very low36.5Very low123 Ų123117 Ų11775%0.74566%0.661SS**  trans-76.2105.7177.8179.10000106Q330 E334Q330-V332 PolarHBondContact O-N 2.84Å; V332-E334 HydrophobicContact CG1-CG 4.36Å; V332-E334 PolarHBondContact O-N 3.36Å
333L32.9Very low35.7Very low159 Ų159116.7 Ų116.783%0.83266%0.661SS**  trans-63.8112.6157.6-73.4162.3000106.4T331 G335T331-L333 PolarHBondContact O-N 3.34Å; T331-L333 VanDerWaalsContact O-N 3.14Å; L333-G335 PolarHBondContact O-N 3.05Å
334E33.3Very low34.7Very low191 Ų191114.2 Ų114.289%0.89367%0.669SS**  trans-77.3111166-67.4-174.4129.100107.4V332V332-E334 HydrophobicContact CG1-CG 4.36Å; V332-E334 PolarHBondContact O-N 3.36Å
335G29Very low33.9Very low64 Ų64117 Ų11766%0.6669%0.692SS**SBendtrans151.7126.5-174.600000110.9L333L333-G335 PolarHBondContact O-N 3.05Å
336D26.5Very low33.6Very low175 Ų175124.2 Ų124.294%0.93672%0.719SS**  trans-73.6142.1179.5-91.4-48.2000112.1M338D336-M338 PolarHBondContact O-N 3.39Å
337N25.5Very low32.4Very low160 Ų160131.8 Ų131.886%0.85676%0.759SS**  trans-78.3110.2169.3-75.4-52.7000109.8
338M25.8Very low31.3Very low183 Ų183134.7 Ų134.790%0.90178%0.783SS**  trans-72.2144.4151.5-86.9-170.364.800110D336D336-M338 PolarHBondContact O-N 3.39Å
339E30.3Very low31.2Very low186 Ų186138.9 Ų138.987%0.86980%0.795SS**  trans-81.1136.4-172.1-58.8-178.7120.800112.6
340T25Very low31.4Very low138 Ų138140.8 Ų140.885%0.84780%0.803SS**  trans-157.7154.2150.213.10000108.8
341P27.5Very low32.3Very low124 Ų124138.6 Ų138.681%0.80580%0.795SS**  trans-83.9155.2-150.7-15.932.2000116
342A30.9Very low33.2Very low96 Ų96136.9 Ų136.979%0.79378%0.784SS**  trans-70.6131.3173.800000112.5
343S26.4Very low34.1Very low117 Ų117138.4 Ų138.482%0.81878%0.783SS**  trans-144.791160.7-79.40000109.4
344S28.1Very low35.3Very low109 Ų109133.4 Ų133.476%0.76276%0.762SS**  trans-104.9122174.4-53.10000110.3
345P32.2Very low36.4Very low125 Ų125131.9 Ų131.981%0.81275%0.748SS**  trans-72.1157.1146.1-13.430.6000109.9
346Q35.5Very low38.3Very low176 Ų176133.9 Ų133.982%0.82274%0.742SS**  trans-107.9163.4172.6-62.2178.6-109.300110.5
347L30.5Very low39.8Very low163 Ų163131.6 Ų131.685%0.85373%0.726SS**  trans96.8166.1158.5-54.4173.8000118.3
348S27.5Very low41.2Very low112 Ų112129.8 Ų129.878%0.78371%0.712SS**  trans72.9135-173.6-47.40000115.9
349H45.1Very low43Very low169 Ų169127.3 Ų127.378%0.78269%0.693SS**SBendtrans-95.7-27.3172.5176.1-87.4000111.2D351H349-D351 PolarHBondContact O-N 3.43Å
350D45.2Very low44.7Very low138 Ų138121.1 Ų121.174%0.73867%0.674SS**  trans-81.297.1176.1-47.3-54000108.9
351D53.4Low46.6Very low77 Ų77117.2 Ų117.241%0.41265%0.653SS.*  -177.685113.4-164.4-15000110.6H349 H353 S354 R355H349-D351 PolarHBondContact O-N 3.43Å; D351-H353 PolarHBondContact OD1-N 3.43Å; D351-H353 VanDerWaalsContact OD1-N 3.14Å; D351-S354 VanDerWaalsContact CG-OG 3.23Å; D351-S354 WeakPolarHBondContact OD1-CB 3.36Å; D351-S354 PolarHBondContact OD1-N 3.25Å; D351-S354 PolarHBondContact OD1-OG 3.47Å; D351-S354 WeakPolarHBondContact OD2-CB 3.44Å; D351-S354 PolarHBondContact OD2-OG 2.9Å; D351-R355 VanDerWaalsContact O-CD 3.31Å; D351-R355 WeakPolarHBondContact O-CD 3.43Å; D351-R355 VanDerWaalsContact O-CG 3.28Å; D351-R355 WeakPolarHBondContact O-CG 3.35Å
352T54.5Low48.3Very low90 Ų90116.9 Ų116.955%0.55264%0.635SS**SBendtrans-79.3-25.9174.2-470000111.6I356T352-I356 HydrophobicContact CG2-CD1 4.19Å; T352-I356 WeakPolarHBondContact O-CG1 3.35Å; T352-I356 PolarHBondContact O-N 3.12Å
353H51.8Low49.9Very low154 Ų154117.6 Ų117.671%0.71363%0.625SS**Hα-helixtrans-78.5-52.4-172.7-102.4-88.6000112.2D351 R355 I356 E357D351-H353 PolarHBondContact OD1-N 3.43Å; D351-H353 VanDerWaalsContact OD1-N 3.14Å; H353-R355 PolarHBondContact O-N 2.82Å; H353-R355 VanDerWaalsContact O-N 3.14Å; H353-I356 PolarHBondContact O-N 3.38Å; H353-E357 PolarHBondContact O-N 3.47Å
354S57Low51.7Low55 Ų55114.7 Ų114.739%0.38561%0.608SS.*Hα-helixtrans-62.9-23.7176.9-49.30000111.9D351 H358D351-S354 VanDerWaalsContact CG-OG 3.23Å; D351-S354 WeakPolarHBondContact OD1-CB 3.36Å; D351-S354 PolarHBondContact OD1-N 3.25Å; D351-S354 PolarHBondContact OD1-OG 3.47Å; D351-S354 WeakPolarHBondContact OD2-CB 3.44Å; D351-S354 PolarHBondContact OD2-OG 2.9Å; S354-H358 WeakPolarHBondContact O-CB 3.31Å; S354-H358 PolarHBondContact O-N 3.09Å
355R57.4Low53.1Low159 Ų159115.6 Ų115.660%0.660%0.6SS**Hα-helixtrans-70.4-42171.3-73.1-179.265.6-156.9-3.6112.6D351 H353 Y359D351-R355 VanDerWaalsContact O-CD 3.31Å; D351-R355 WeakPolarHBondContact O-CD 3.43Å; D351-R355 VanDerWaalsContact O-CG 3.28Å; D351-R355 WeakPolarHBondContact O-CG 3.35Å; H353-R355 PolarHBondContact O-N 2.82Å; H353-R355 VanDerWaalsContact O-N 3.14Å; R355-Y359 WeakPolarHBondContact O-CD2 3.33Å; R355-Y359 PolarHBondContact O-N 3.19Å; R355-Y359 VanDerWaalsContact O-N 3.15Å
356I68.6Low54.1Low106 Ų106115 Ų11554%0.54459%0.588SS.*Hα-helixtrans-66.5-44.3174.8-69.7165.1000109.8T352 H353 Y359 A360T352-I356 HydrophobicContact CG2-CD1 4.19Å; T352-I356 WeakPolarHBondContact O-CG1 3.35Å; T352-I356 PolarHBondContact O-N 3.12Å; H353-I356 PolarHBondContact O-N 3.38Å; I356-Y359 PolarHBondContact O-N 3.09Å; I356-A360 WeakPolarHBondContact O-CB 3.34Å; I356-A360 PolarHBondContact O-N 3.1Å
357E58.6Low54.9Low126 Ų126114.4 Ų114.459%0.58959%0.585SS**Hα-helixtrans-60.2-48.3176.6-170.5165.3-137.400111.7H353 Y359 A360 S361H353-E357 PolarHBondContact O-N 3.47Å; E357-Y359 VanDerWaalsContact C-N 3.29Å; E357-Y359 PolarHBondContact O-N 2.91Å; E357-A360 WeakPolarHBondContact O-CB 3.32Å; E357-A360 PolarHBondContact O-N 3.34Å; E357-S361 PolarHBondContact O-N 2.94Å; E357-S361 PolarHBondContact O-OG 3.35Å
358H53.8Low55.9Low123 Ų123113.4 Ų113.457%0.56958%0.581SS**Hα-helixtrans-62.4-32.7177-174.345000113.3S354 R362S354-H358 WeakPolarHBondContact O-CB 3.31Å; S354-H358 PolarHBondContact O-N 3.09Å; H358-R362 WeakPolarHBondContact O-CB 3.46Å; H358-R362 PolarHBondContact O-N 2.66Å
359Y63.7Low56.8Low130 Ų130111.8 Ų111.851%0.5157%0.57SS.*Hα-helixtrans-72.1-37.3170.9-78.7-57.8000112.8R355 I356 E357 R362 L363R355-Y359 WeakPolarHBondContact O-CD2 3.33Å; R355-Y359 PolarHBondContact O-N 3.19Å; R355-Y359 VanDerWaalsContact O-N 3.15Å; I356-Y359 PolarHBondContact O-N 3.09Å; E357-Y359 VanDerWaalsContact C-N 3.29Å; E357-Y359 PolarHBondContact O-N 2.91Å; Y359-R362 PolarHBondContact O-N 2.75Å; Y359-L363 WeakPolarHBondContact O-CG 3.47Å; Y359-L363 PolarHBondContact O-N 3.19Å
360A66.2Low56.8Low56 Ų56111.1 Ų111.146%0.46357%0.572SS.*Hα-helixtrans-66.3-46.9176.500000111.8I356 E357 R362 L363 A364I356-A360 WeakPolarHBondContact O-CB 3.34Å; I356-A360 PolarHBondContact O-N 3.1Å; E357-A360 WeakPolarHBondContact O-CB 3.32Å; E357-A360 PolarHBondContact O-N 3.34Å; A360-R362 VanDerWaalsContact C-N 3.32Å; A360-R362 PolarHBondContact O-N 3.31Å; A360-L363 PolarHBondContact O-N 3.36Å; A360-L363 VanDerWaalsContact O-N 3.15Å; A360-A364 PolarHBondContact O-N 3.33Å
361S65.4Low56.6Low57 Ų57107.9 Ų107.940%0.39957%0.571SS.*Hα-helixtrans-57.8-44.5174-54.90000111.5E357 L363 A364 E365E357-S361 PolarHBondContact O-N 2.94Å; E357-S361 PolarHBondContact O-OG 3.35Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.39Å; S361-A364 PolarHBondContact O-N 3.1Å; S361-E365 WeakPolarHBondContact O-CB 3.29Å; S361-E365 VanDerWaalsContact O-CG 3.32Å; S361-E365 WeakPolarHBondContact O-CG 3.41Å; S361-E365 PolarHBondContact O-N 3.48Å
362R62.9Low55.9Low117 Ų117108.4 Ų108.444%0.44258%0.581SS.*Hα-helixtrans-63-31.9176.5-102-170.855.2-179-8.4114.4H358 Y359 A360 M366H358-R362 WeakPolarHBondContact O-CB 3.46Å; H358-R362 PolarHBondContact O-N 2.66Å; Y359-R362 PolarHBondContact O-N 2.75Å; A360-R362 VanDerWaalsContact C-N 3.32Å; A360-R362 PolarHBondContact O-N 3.31Å; R362-M366 WeakPolarHBondContact O-CG 3.13Å; R362-M366 PolarHBondContact O-N 3.16Å; R362-M366 VanDerWaalsContact O-N 3.13Å
363L63.7Low55.1Low111 Ų111114.4 Ų114.458%0.58160%0.595SS**Hα-helixtrans-72.6-45.7175.7-78.8163.7000110.4Y359 A360 S361 E365 M366 E367Y359-L363 WeakPolarHBondContact O-CG 3.47Å; Y359-L363 PolarHBondContact O-N 3.19Å; A360-L363 PolarHBondContact O-N 3.36Å; A360-L363 VanDerWaalsContact O-N 3.15Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.39Å; L363-E365 VanDerWaalsContact C-N 3.32Å; L363-E365 PolarHBondContact O-N 2.75Å; L363-M366 PolarHBondContact O-N 2.83Å; L363-M366 VanDerWaalsContact O-N 3.1Å; L363-E367 PolarHBondContact O-N 3.4Å
364A64.7Low54.2Low56 Ų56115.5 Ų115.546%0.46361%0.605SS.*Hα-helixtrans-60.9-38.7174.300000112.6A360 S361 E367 N368A360-A364 PolarHBondContact O-N 3.33Å; S361-A364 PolarHBondContact O-N 3.1Å; A364-E367 PolarHBondContact O-N 3.41Å; A364-N368 PolarHBondContact O-N 3.09Å
365E58.1Low53.1Low127 Ų127120.4 Ų120.459%0.59363%0.627SS**Hα-helixtrans-63.9-37.7172.7-75.7172.517200112.4S361 L363 S369S361-E365 WeakPolarHBondContact O-CB 3.29Å; S361-E365 VanDerWaalsContact O-CG 3.32Å; S361-E365 WeakPolarHBondContact O-CG 3.41Å; S361-E365 PolarHBondContact O-N 3.48Å; L363-E365 VanDerWaalsContact C-N 3.32Å; L363-E365 PolarHBondContact O-N 2.75Å; E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.36Å
366M51.8Low52Low114 Ų114119.6 Ų119.656%0.56263%0.634SS**Hα-helixtrans-69.9-40.2175.4-80.7-178.6154.100112.6R362 L363 S369 N370R362-M366 WeakPolarHBondContact O-CG 3.13Å; R362-M366 PolarHBondContact O-N 3.16Å; R362-M366 VanDerWaalsContact O-N 3.13Å; L363-M366 PolarHBondContact O-N 2.83Å; L363-M366 VanDerWaalsContact O-N 3.1Å; M366-S369 PolarHBondContact O-N 3.21Å; M366-N370 PolarHBondContact O-N 3.27Å; M366-N370 VanDerWaalsContact O-N 3.14Å
367E53.6Low50.6Low162 Ų162119 Ų11976%0.75764%0.64SS**Hα-helixtrans-64.7-40.7175.4-70.9-175.5137.400112L363 A364L363-E367 PolarHBondContact O-N 3.4Å; A364-E367 PolarHBondContact O-N 3.41Å
368N50.2Low49.5Very low142 Ų142121.1 Ų121.176%0.75965%0.653SS**Hα-helixtrans-71.1-35.2175.3-113.6-17.8000113.1A364A364-N368 PolarHBondContact O-N 3.09Å
369S47.5Very low48.6Very low79 Ų79120.4 Ų120.455%0.55266%0.662SS**Hα-helixtrans-74.6-29.1-176.7-169.20000113.2E365 M366 G371E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.36Å; M366-S369 PolarHBondContact O-N 3.21Å; S369-G371 PolarHBondContact O-N 3.26Å
370N44.5Very low47.5Very low155 Ų155119.7 Ų119.783%0.82967%0.673SS**THydrogen-bonded Turntrans-65.2-7.6177.3-98.210.4000114.6M366M366-N370 PolarHBondContact O-N 3.27Å; M366-N370 VanDerWaalsContact O-N 3.14Å
371G42Very low46.4Very low69 Ų69123.1 Ų123.171%0.71168%0.684SS**THydrogen-bonded Turntrans-94.9-10.5-173.500000117.4S369S369-G371 PolarHBondContact O-N 3.26Å
372S38.6Very low45.3Very low89 Ų89129 Ų12962%0.62271%0.705SS**SBendtrans-155.350.1-162.2-172.30000118.2
373Y36.3Very low44.6Very low215 Ų215127.9 Ų127.984%0.84372%0.715SS**SBendtrans-141.7147.4154.8-72.8-70.1000111.8
374L32.9Very low43.6Very low178 Ų178128.2 Ų128.293%0.93272%0.716SS**  trans6958-174.4-52.2-177.1000116.2
375N35.6Very low42.9Very low157 Ų157130.1 Ų130.184%0.8472%0.719SS**  trans-113103140.1177.332.2000108.8
376D33.1Very low42.6Very low143 Ų143129.6 Ų129.677%0.76572%0.72SS**  trans-155.5123.6148.7-141.2-31.6000111.6
377S39.4Very low42.6Very low94 Ų94130.7 Ų130.766%0.65772%0.724SS**SBendtrans59.476.5156.7-610000120.1
378I36.5Very low42.6Very low170 Ų170128.3 Ų128.387%0.87271%0.712SS**  -177.3148.1121.5-92155000110
379S34.9Very low43Very low108 Ų108126.1 Ų126.176%0.75570%0.7SS**  trans-80130.5-172-167.40000113.7
380P40.5Very low43.4Very low114 Ų114128.5 Ų128.574%0.7471%0.706SS**  trans-95.397.7-18035-31.5000112.7
381N41.4Very low44.1Very low129 Ų129125.9 Ų125.969%0.6969%0.691SS**SBendtrans-144.123.3170.9-151.998.8000114.4
382E42.3Very low44.5Very low181 Ų181127.8 Ų127.885%0.84668%0.681SS**SBendtrans-134.1-1.2176.7-67.2-173.2136.700113.8
383S49.1Very low45Very low93 Ų93129.6 Ų129.665%0.6568%0.68SS**SBendtrans-104.4-12.2-173.3-1700000115.6
384I42.5Very low45.6Very low117 Ų117127 Ų12760%0.667%0.669SS**SBendtrans-95.1-36.7-179-74.9172.8000111.1D386 E387 H388I384-D386 VanDerWaalsContact C-N 3.29Å; I384-D386 PolarHBondContact O-N 2.92Å; I384-E387 PolarHBondContact O-N 3.41Å; I384-H388 PolarHBondContact O-CD2 2.71Å; I384-H388 PolarHBondContact O-N 2.8Å; I384-H388 VanDerWaalsContact O-N 3.12Å
385D49.3Very low46.6Very low96 Ų96121.6 Ų121.651%0.51365%0.646SS.*Hα-helixtrans-65.9-31.9179-67.6-32.2000112.2H388 L389D385-H388 PolarHBondContact O-N 2.36Å; D385-L389 VanDerWaalsContact O-CB 3.26Å; D385-L389 WeakPolarHBondContact O-CB 3.42Å; D385-L389 VanDerWaalsContact O-CG 3.27Å; D385-L389 WeakPolarHBondContact O-CG 3.25Å; D385-L389 PolarHBondContact O-N 3.44Å
386D52.3Low47.2Very low117 Ų117119.3 Ų119.363%0.62663%0.63SS**Hα-helixtrans-70.7-38.5-179.5-140.828000111.8I384 L390I384-D386 VanDerWaalsContact C-N 3.29Å; I384-D386 PolarHBondContact O-N 2.92Å; D386-L390 WeakPolarHBondContact O-CB 3.32Å; D386-L390 PolarHBondContact O-N 3.18Å
387E53.1Low47.9Very low136 Ų136116.1 Ų116.164%0.63662%0.619SS**Hα-helixtrans-68.6-40.3171.8-66-162.3144.200111.7I384 L390 I391I384-E387 PolarHBondContact O-N 3.41Å; E387-L390 PolarHBondContact O-N 3.3Å; E387-I391 WeakPolarHBondContact O-CB 3.25Å; E387-I391 WeakPolarHBondContact O-CD1 3.35Å; E387-I391 VanDerWaalsContact O-CG1 3.26Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.32Å
388H52.8Low48.4Very low112 Ų112117.1 Ų117.152%0.51962%0.616SS.*Hα-helixtrans-68-36.3175.5-78.1-44.6000113I384 D385 I391 Q392I384-H388 PolarHBondContact O-CD2 2.71Å; I384-H388 PolarHBondContact O-N 2.8Å; I384-H388 VanDerWaalsContact O-N 3.12Å; D385-H388 PolarHBondContact O-N 2.36Å; H388-I391 PolarHBondContact O-N 2.88Å; H388-Q392 VanDerWaalsContact O-CB 3.26Å; H388-Q392 WeakPolarHBondContact O-CB 3.16Å; H388-Q392 PolarHBondContact O-N 3.04Å
389L58.4Low49Very low96 Ų96115.6 Ų115.650%0.50361%0.61SS.*Hα-helixtrans-64.6-42171.3-82.1164.4000111.5D385 Q392 H393D385-L389 VanDerWaalsContact O-CB 3.26Å; D385-L389 WeakPolarHBondContact O-CB 3.42Å; D385-L389 VanDerWaalsContact O-CG 3.27Å; D385-L389 WeakPolarHBondContact O-CG 3.25Å; D385-L389 PolarHBondContact O-N 3.44Å; L389-Q392 PolarHBondContact O-N 3.25Å; L389-H393 WeakPolarHBondContact O-CB 3.41Å; L389-H393 PolarHBondContact O-N 2.92Å
390L56.8Low49.4Very low129 Ų129118.3 Ų118.368%0.67561%0.611SS**Hα-helixtrans-63.5-43.5176.6-170.665.3000111.6D386 E387 H393 Y394D386-L390 WeakPolarHBondContact O-CB 3.32Å; D386-L390 PolarHBondContact O-N 3.18Å; E387-L390 PolarHBondContact O-N 3.3Å; L390-H393 PolarHBondContact O-N 3.46Å; L390-Y394 WeakPolarHBondContact O-CB 3.45Å; L390-Y394 PolarHBondContact O-N 2.79Å
391I59Low49.1Very low101 Ų101120.2 Ų120.252%0.51862%0.615SS.*Hα-helixtrans-63.1-43.6173.1-68.6164000110.8E387 H388 Y394 C395E387-I391 WeakPolarHBondContact O-CB 3.25Å; E387-I391 WeakPolarHBondContact O-CD1 3.35Å; E387-I391 VanDerWaalsContact O-CG1 3.26Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.32Å; H388-I391 PolarHBondContact O-N 2.88Å; I391-Y394 PolarHBondContact O-N 2.79Å; I391-C395 WeakPolarHBondContact O-CB 3.43Å; I391-C395 PolarHBondContact O-N 2.77Å; I391-C395 PolarHBondContact O-SG 2.9Å; I391-C395 VanDerWaalsContact O-SG 3.37Å
392Q50.5Low48.6Very low108 Ų108119.6 Ų119.651%0.50562%0.62SS.*Hα-helixtrans-65.3-41.3179.5-169.7176.332.500111.9H388 L389 Y394 C395 Q396H388-Q392 VanDerWaalsContact O-CB 3.26Å; H388-Q392 WeakPolarHBondContact O-CB 3.16Å; H388-Q392 PolarHBondContact O-N 3.04Å; L389-Q392 PolarHBondContact O-N 3.25Å; Q392-Y394 VanDerWaalsContact C-N 3.34Å; Q392-C395 PolarHBondContact O-N 3.02Å; Q392-Q396 WeakPolarHBondContact O-CB 3.41Å; Q392-Q396 WeakPolarHBondContact O-CG 3.2Å; Q392-Q396 PolarHBondContact O-N 3.37Å
393H48.1Very low48.8Very low127 Ų127116.4 Ų116.459%0.58862%0.616SS**Hα-helixtrans-65-38175.4-168-79.6000111.5L389 L390 Q396 S397L389-H393 WeakPolarHBondContact O-CB 3.41Å; L389-H393 PolarHBondContact O-N 2.92Å; L390-H393 PolarHBondContact O-N 3.46Å; H393-Q396 PolarHBondContact O-N 2.69Å; H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 3.2Å; H393-S397 PolarHBondContact O-OG 3.24Å
394Y48.1Very low48.5Very low160 Ų160119.7 Ų119.763%0.62763%0.625SS**Hα-helixtrans-66-45.6174.3-165.7-106.4000111.9L390 I391 Q392 Q396 S397 L398L390-Y394 WeakPolarHBondContact O-CB 3.45Å; L390-Y394 PolarHBondContact O-N 2.79Å; I391-Y394 PolarHBondContact O-N 2.79Å; Q392-Y394 VanDerWaalsContact C-N 3.34Å; Y394-Q396 VanDerWaalsContact C-N 3.35Å; Y394-Q396 PolarHBondContact O-N 3.04Å; Y394-S397 PolarHBondContact O-N 2.71Å; Y394-L398 HydrophobicContact CD1-CD1 3.83Å; Y394-L398 HydrophobicContact CE1-CD1 3.62Å; Y394-L398 WeakPolarHBondContact O-CG 3.11Å; Y394-L398 PolarHBondContact O-N 3.05Å; Y394-L398 VanDerWaalsContact O-N 3.08Å
395C54.6Low48.9Very low65 Ų65119.8 Ų119.844%0.43964%0.636SS.*Hα-helixtrans-64.7-33.9175.3-72.30000113.3I391 Q392 N399I391-C395 WeakPolarHBondContact O-CB 3.43Å; I391-C395 PolarHBondContact O-N 2.77Å; I391-C395 PolarHBondContact O-SG 2.9Å; I391-C395 VanDerWaalsContact O-SG 3.37Å; Q392-C395 PolarHBondContact O-N 3.02Å; C395-N399 PolarHBondContact O-ND2 2.93Å
396Q47.6Very low48.3Very low109 Ų109124.2 Ų124.251%0.50965%0.654SS.*Hα-helixtrans-71-39.2173-73.7177.28.800111.8Q392 H393 Y394 L398 N399Q392-Q396 WeakPolarHBondContact O-CB 3.41Å; Q392-Q396 WeakPolarHBondContact O-CG 3.2Å; Q392-Q396 PolarHBondContact O-N 3.37Å; H393-Q396 PolarHBondContact O-N 2.69Å; Y394-Q396 VanDerWaalsContact C-N 3.35Å; Y394-Q396 PolarHBondContact O-N 3.04Å; Q396-L398 VanDerWaalsContact C-N 3.27Å; Q396-L398 PolarHBondContact O-N 3.39Å; Q396-N399 PolarHBondContact O-N 2.98Å
397S48.8Very low47.7Very low76 Ų76124.5 Ų124.553%0.53166%0.662SS.*Hα-helixtrans-64.5-28.2176.7-58.20000113.3H393 Y394H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 3.2Å; H393-S397 PolarHBondContact O-OG 3.24Å; Y394-S397 PolarHBondContact O-N 2.71Å
398L49.7Very low47.5Very low115 Ų115125.6 Ų125.660%0.60266%0.66SS**THydrogen-bonded Turntrans-83.3-13.8177.2-72.1170.9000114.4Y394 Q396Y394-L398 HydrophobicContact CD1-CD1 3.83Å; Y394-L398 HydrophobicContact CE1-CD1 3.62Å; Y394-L398 WeakPolarHBondContact O-CG 3.11Å; Y394-L398 PolarHBondContact O-N 3.05Å; Y394-L398 VanDerWaalsContact O-N 3.08Å; Q396-L398 VanDerWaalsContact C-N 3.27Å; Q396-L398 PolarHBondContact O-N 3.39Å
399N48.5Very low47.4Very low138 Ų138122.7 Ų122.774%0.73865%0.653SS**SBendtrans-101.62.5-174.7-79.4-20.3000114.2C395 Q396C395-N399 PolarHBondContact O-ND2 2.93Å; Q396-N399 PolarHBondContact O-N 2.98Å
400Q43.2Very low46.7Very low165 Ų165123.3 Ų123.377%0.77166%0.663SS**SBendtrans-111.163.5175.5-66.1-169.235.600112.3
401D34.1Very low46.5Very low155 Ų155120 Ų12083%0.82965%0.654SS**SBendtrans-169.3120.3136.2-103.6-25000112.4
402S32.5Very low46.4Very low115 Ų115120.5 Ų120.580%0.80465%0.654SS**  trans15.8153.8162.5-71.80000124.4
403P46.4Very low46.9Very low115 Ų115119.2 Ų119.275%0.74765%0.65SS**  trans-87.4164.4-158.335.7-38.9000116.5
404L43.1Very low47.3Very low162 Ų162118.1 Ų118.185%0.84865%0.647SS**SBendtrans111121.5164.2-63.4164.4000115.5
405S49.1Very low48.1Very low119 Ų119115.9 Ų115.983%0.83265%0.645SS**  trans5486.1161.851.20000118
406Q37.7Very low48.5Very low188 Ų188114.2 Ų114.288%0.87963%0.634SS**  trans-124.6153150.7-82.8-164.34.100110.8
407P38.8Very low49Very low123 Ų123113 Ų11380%0.79963%0.631SS**PPolyproline II helixtrans-73.9138.1-177.630.1-34.8000112
408R49.5Very low49.8Very low159 Ų159115 Ų11560%0.663%0.632SS**PPolyproline II helixtrans-59.9142.2169.4-69.8-174-176.4174.16.8109.9Q412 I413 S416R408-Q412 HydrophobicContact CB-CB 4.27Å; R408-I413 HydrophobicContact CB-CD1 4.27Å; R408-I413 HydrophobicContact CB-CG1 3.71Å; R408-S416 PolarHBondContact NH1-OG 3.36Å
409S51.1Low50.9Low52 Ų52113.6 Ų113.636%0.36463%0.632SS.*PPolyproline II helixtrans-68.1154.8174.573.90000110.8A411 Q412 I413S409-A411 PolarHBondContact O-N 2.83Å; S409-A411 VanDerWaalsContact O-N 3.15Å; S409-Q412 PolarHBondContact O-N 3.29Å; S409-Q412 WeakPolarHBondContact OG-CG 3.4Å; S409-Q412 PolarHBondContact OG-N 3.26Å; S409-I413 PolarHBondContact O-N 2.99Å
410P44.4Very low52Low109 Ų109113.3 Ų113.371%0.70863%0.626SS**Hα-helixtrans-54.6-36.1-178.6-28.936.4000114.1I413 L414P410-I413 PolarHBondContact O-N 3.46Å; P410-L414 PolarHBondContact O-N 3.44Å
411A52.8Low53.1Low60 Ų60111.7 Ų111.750%0.49662%0.618SS.*Hα-helixtrans-66.7-41.3175.500000112.7S409 I413 L414 I415S409-A411 PolarHBondContact O-N 2.83Å; S409-A411 VanDerWaalsContact O-N 3.15Å; A411-I413 VanDerWaalsContact C-N 3.3Å; A411-I413 PolarHBondContact O-N 2.81Å; A411-L414 PolarHBondContact O-N 3.47Å; A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.21Å
412Q56.9Low55Low111 Ų111112.1 Ų112.152%0.51961%0.608SS.*Hα-helixtrans-67.1-31.5175.5-72.6172.6-22.600112.3R408 S409 S416R408-Q412 HydrophobicContact CB-CB 4.27Å; S409-Q412 PolarHBondContact O-N 3.29Å; S409-Q412 WeakPolarHBondContact OG-CG 3.4Å; S409-Q412 PolarHBondContact OG-N 3.26Å; Q412-S416 WeakPolarHBondContact O-CB 3.45Å; Q412-S416 PolarHBondContact O-N 3.14Å; Q412-S416 VanDerWaalsContact O-N 3.1Å; Q412-S416 PolarHBondContact O-OG 3.49Å
413I60.3Low57.5Low80 Ų80108.2 Ų108.241%0.4159%0.586SS.*Hα-helixtrans-67.4-46.5172.9-64.3171.3000109.9R408 S409 P410 A411 I415 S416 L417R408-I413 HydrophobicContact CB-CD1 4.27Å; R408-I413 HydrophobicContact CB-CG1 3.71Å; S409-I413 PolarHBondContact O-N 2.99Å; P410-I413 PolarHBondContact O-N 3.46Å; A411-I413 VanDerWaalsContact C-N 3.3Å; A411-I413 PolarHBondContact O-N 2.81Å; I413-I415 PolarHBondContact O-N 3.15Å; I413-S416 WeakPolarHBondContact O-CB 3.28Å; I413-S416 PolarHBondContact O-N 2.96Å; I413-L417 HydrophobicContact CG2-CD1 3.93Å; I413-L417 HydrophobicContact CG2-CG 4.46Å; I413-L417 WeakPolarHBondContact O-CG 3.33Å; I413-L417 PolarHBondContact O-N 2.77Å
414L55.4Low59.1Low104 Ų104107.5 Ų107.555%0.54557%0.573SS.*Hα-helixtrans-57.5-51.3178.3-138.777.7000111.8P410 A411 S416 L417 E418P410-L414 PolarHBondContact O-N 3.44Å; A411-L414 PolarHBondContact O-N 3.47Å; L414-S416 VanDerWaalsContact C-N 3.25Å; L414-S416 PolarHBondContact O-N 3.35Å; L414-L417 PolarHBondContact O-N 3.02Å; L414-L417 VanDerWaalsContact O-N 3.1Å; L414-E418 WeakPolarHBondContact O-CG 3.42Å; L414-E418 PolarHBondContact O-N 3.3Å
415I65.9Low60.3Low114 Ų114105.4 Ų105.459%0.58556%0.562SS**Hα-helixtrans-62.6-32.2178.9-64.5163.6000111.7A411 I413 S419A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.21Å; I413-I415 PolarHBondContact O-N 3.15Å; I415-S419 WeakPolarHBondContact O-CB 3.36Å; I415-S419 PolarHBondContact O-N 2.67Å
416S63.1Low62Low30 Ų30104.5 Ų104.521%0.2155%0.545CS..Hα-helixtrans-66.4-45.7173.9-56.30000111.3R408 Q412 I413 L414 S419 E420R408-S416 PolarHBondContact NH1-OG 3.36Å; Q412-S416 WeakPolarHBondContact O-CB 3.45Å; Q412-S416 PolarHBondContact O-N 3.14Å; Q412-S416 VanDerWaalsContact O-N 3.1Å; Q412-S416 PolarHBondContact O-OG 3.49Å; I413-S416 WeakPolarHBondContact O-CB 3.28Å; I413-S416 PolarHBondContact O-N 2.96Å; L414-S416 VanDerWaalsContact C-N 3.25Å; L414-S416 PolarHBondContact O-N 3.35Å; S416-S419 PolarHBondContact O-N 2.86Å; S416-E420 WeakPolarHBondContact O-CG 3.49Å; S416-E420 PolarHBondContact O-N 3.04Å
417L58.9Low64.4Low84 Ų84101.7 Ų101.744%0.4453%0.526SS..Hα-helixtrans-68.2-44.5-177.9-68.7169000111.7I413 L414 S419 E420 E421I413-L417 HydrophobicContact CG2-CD1 3.93Å; I413-L417 HydrophobicContact CG2-CG 4.46Å; I413-L417 WeakPolarHBondContact O-CG 3.33Å; I413-L417 PolarHBondContact O-N 2.77Å; L414-L417 PolarHBondContact O-N 3.02Å; L414-L417 VanDerWaalsContact O-N 3.1Å; L417-S419 PolarHBondContact O-N 3.06Å; L417-E420 PolarHBondContact O-N 2.8Å; L417-E420 VanDerWaalsContact O-N 3.07Å; L417-E421 WeakPolarHBondContact O-CG 3.35Å; L417-E421 PolarHBondContact O-N 2.93Å
418E65.6Low66.4Low117 Ų11799.3 Ų99.355%0.54751%0.506SS..Hα-helixtrans-59.3-34.9174.7-70.3173.8171.600111.8L414 R422L414-E418 WeakPolarHBondContact O-CG 3.42Å; L414-E418 PolarHBondContact O-N 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.46Å; E418-R422 PolarHBondContact O-N 3.07Å; E418-R422 VanDerWaalsContact O-N 3.15Å
419S71.4Confident67.6Low85 Ų8596.8 Ų96.859%0.59450%0.504SS*.Hα-helixtrans-72.7-33174.4-172.50000113.5I415 S416 L417 G423I415-S419 WeakPolarHBondContact O-CB 3.36Å; I415-S419 PolarHBondContact O-N 2.67Å; S416-S419 PolarHBondContact O-N 2.86Å; L417-S419 PolarHBondContact O-N 3.06Å; S419-G423 PolarHBondContact O-N 2.7Å
420E72.2Confident69.3Low132 Ų13296.7 Ų96.762%0.61751%0.506SS*.Hα-helixtrans-76.7-45.3177.9-75.7175.9177.800111.3S416 L417 R422 G423 E424S416-E420 WeakPolarHBondContact O-CG 3.49Å; S416-E420 PolarHBondContact O-N 3.04Å; L417-E420 PolarHBondContact O-N 2.8Å; L417-E420 VanDerWaalsContact O-N 3.07Å; E420-R422 VanDerWaalsContact C-N 3.32Å; E420-R422 PolarHBondContact O-N 3Å; E420-G423 PolarHBondContact O-N 3.15Å; E420-G423 VanDerWaalsContact O-N 3.16Å; E420-E424 PolarHBondContact O-N 2.67Å
421E66.4Low71.3Confident132 Ų13296.5 Ų96.562%0.61750%0.499SS*.Hα-helixtrans-60-41.6174.8-71.8-174.5169.700111.6L417 E424 L425L417-E421 WeakPolarHBondContact O-CG 3.35Å; L417-E421 PolarHBondContact O-N 2.93Å; E421-E424 PolarHBondContact O-N 3.13Å; E421-L425 WeakPolarHBondContact O-CG 3.37Å; E421-L425 PolarHBondContact O-N 3.42Å
422R74.1Confident72.4Confident163 Ų16398.3 Ų98.362%0.61550%0.5SS*.Hα-helixtrans-61.7-43.2174.1-180176.3170.4157.94.4112.3E418 E420 E424 L425 E426E418-R422 WeakPolarHBondContact O-CB 3.46Å; E418-R422 PolarHBondContact O-N 3.07Å; E418-R422 VanDerWaalsContact O-N 3.15Å; E420-R422 VanDerWaalsContact C-N 3.32Å; E420-R422 PolarHBondContact O-N 3Å; R422-E424 VanDerWaalsContact C-N 3.28Å; R422-E424 PolarHBondContact O-N 2.91Å; R422-L425 PolarHBondContact O-N 3.44Å; R422-E426 HydrophobicContact CG-CG 4.49Å; R422-E426 IonicContact CZ-OE1 2.66Å; R422-E426 VanDerWaalsContact CZ-OE1 3.24Å; R422-E426 IonicContact NE-OE1 3.85Å; R422-E426 PolarHBondContact NE-OE1 3.28Å; R422-E426 IonicContact NH2-OE1 3.48Å; R422-E426 PolarHBondContact NH2-OE1 2.94Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 3Å
423G84.8Confident73.8Confident33 Ų3397.7 Ų97.734%0.3450%0.497SS..Hα-helixtrans-66.7-27.1177.400000113.8S419 E420 R427S419-G423 PolarHBondContact O-N 2.7Å; E420-G423 PolarHBondContact O-N 3.15Å; E420-G423 VanDerWaalsContact O-N 3.16Å; G423-R427 PolarHBondContact O-N 3.1Å
424E79.1Confident75.1Confident100 Ų10099.2 Ų99.247%0.46750%0.502SS..Hα-helixtrans-74.5-42.9170.4179.5139.1-107.500112.2E420 E421 R422 E426 R427 I428E420-E424 PolarHBondContact O-N 2.67Å; E421-E424 PolarHBondContact O-N 3.13Å; R422-E424 VanDerWaalsContact C-N 3.28Å; R422-E424 PolarHBondContact O-N 2.91Å; E424-E426 PolarHBondContact O-N 3.47Å; E424-R427 PolarHBondContact O-N 3.36Å; E424-R427 IonicContact OE1-CZ 2.83Å; E424-R427 IonicContact OE1-NH1 3.22Å; E424-R427 IonicContact OE1-NH2 2.74Å; E424-R427 PolarHBondContact OE1-NH2 3.2Å; E424-I428 HydrophobicContact CG-CD1 3.77Å; E424-I428 HydrophobicContact CG-CG1 4.46Å; E424-I428 WeakPolarHBondContact O-CG1 3.34Å; E424-I428 PolarHBondContact O-N 3.1Å
425L69Low76.4Confident118 Ų11899.9 Ų99.962%0.61850%0.503SS*.Hα-helixtrans-61-41.9174.9-73166.8000112.5E421 R422 R427 I428 L429E421-L425 WeakPolarHBondContact O-CG 3.37Å; E421-L425 PolarHBondContact O-N 3.42Å; R422-L425 PolarHBondContact O-N 3.44Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.33Å; L425-I428 PolarHBondContact O-N 2.9Å; L425-L429 WeakPolarHBondContact O-CB 3.21Å; L425-L429 PolarHBondContact O-N 3.33Å
426E84.9Confident76.9Confident101 Ų10199.6 Ų99.647%0.47250%0.502SS..Hα-helixtrans-66.1-31.2177.3-72.7177.1-178.300112.2R422 E424 A430R422-E426 HydrophobicContact CG-CG 4.49Å; R422-E426 IonicContact CZ-OE1 2.66Å; R422-E426 VanDerWaalsContact CZ-OE1 3.24Å; R422-E426 IonicContact NE-OE1 3.85Å; R422-E426 PolarHBondContact NE-OE1 3.28Å; R422-E426 IonicContact NH2-OE1 3.48Å; R422-E426 PolarHBondContact NH2-OE1 2.94Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 3Å; E424-E426 PolarHBondContact O-N 3.47Å; E426-A430 PolarHBondContact O-N 2.91Å
427R87.7Confident78.2Confident128 Ų128104.4 Ų104.448%0.48352%0.516SS..Hα-helixtrans-68.8-50.6169.1-78.8-169.7-65.7104.4-2.1112.6G423 E424 L425 L429 A430 D431G423-R427 PolarHBondContact O-N 3.1Å; E424-R427 PolarHBondContact O-N 3.36Å; E424-R427 IonicContact OE1-CZ 2.83Å; E424-R427 IonicContact OE1-NH1 3.22Å; E424-R427 IonicContact OE1-NH2 2.74Å; E424-R427 PolarHBondContact OE1-NH2 3.2Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.33Å; R427-L429 PolarHBondContact O-N 2.92Å; R427-A430 WeakPolarHBondContact O-CB 3.37Å; R427-A430 PolarHBondContact O-N 3.37Å; R427-D431 PolarHBondContact O-N 3.33Å
428I81.2Confident79.5Confident74 Ų74105 Ų10538%0.37952%0.52SS..Hα-helixtrans-59.6-36.1-177.3-68.5165.2000110.6E424 L425 L432E424-I428 HydrophobicContact CG-CD1 3.77Å; E424-I428 HydrophobicContact CG-CG1 4.46Å; E424-I428 WeakPolarHBondContact O-CG1 3.34Å; E424-I428 PolarHBondContact O-N 3.1Å; L425-I428 PolarHBondContact O-N 2.9Å; I428-L432 HydrophobicContact CG2-CD1 3.91Å; I428-L432 HydrophobicContact CG2-CG 4.46Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.25Å; I428-L432 WeakPolarHBondContact O-CG 3.23Å; I428-L432 PolarHBondContact O-N 3.28Å
429L73.9Confident80.3Confident106 Ų106104.5 Ų104.556%0.55552%0.52SS*.Hα-helixtrans-62.3-47.2173.1-169.571.2000111.9L425 R427 L432 E433L425-L429 WeakPolarHBondContact O-CB 3.21Å; L425-L429 PolarHBondContact O-N 3.33Å; R427-L429 PolarHBondContact O-N 2.92Å; L429-L432 PolarHBondContact O-N 3.11Å; L429-E433 WeakPolarHBondContact O-CG 3.47Å; L429-E433 PolarHBondContact O-N 2.89Å
430A88.3Confident80.7Confident49 Ų49105 Ų10541%0.40551%0.513SS..Hα-helixtrans-64.2-41.3179.500000112.9E426 R427 E433 E434E426-A430 PolarHBondContact O-N 2.91Å; R427-A430 WeakPolarHBondContact O-CB 3.37Å; R427-A430 PolarHBondContact O-N 3.37Å; A430-E433 PolarHBondContact O-N 3.44Å; A430-E434 PolarHBondContact O-N 3.09Å
431D85.1Confident81.4Confident105 Ų105101.7 Ų101.756%0.56151%0.508SS*.Hα-helixtrans-61.8-46.6175.9-67.1-25.2000110.9R427 E434 E435R427-D431 PolarHBondContact O-N 3.33Å; D431-E434 PolarHBondContact O-N 2.86Å; D431-E435 PolarHBondContact O-N 2.96Å
432L75.8Confident82.1Confident99 Ų99100.1 Ų100.152%0.51850%0.501SS..Hα-helixtrans-65.8-37.4177.5-74.3170.7000112.7I428 L429 E434 N436I428-L432 HydrophobicContact CG2-CD1 3.91Å; I428-L432 HydrophobicContact CG2-CG 4.46Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.25Å; I428-L432 WeakPolarHBondContact O-CG 3.23Å; I428-L432 PolarHBondContact O-N 3.28Å; L429-L432 PolarHBondContact O-N 3.11Å; L432-E434 VanDerWaalsContact C-N 3.31Å; L432-N436 VanDerWaalsContact O-CB 3.25Å; L432-N436 WeakPolarHBondContact O-CB 3.14Å; L432-N436 PolarHBondContact O-N 3.43Å
433E86.3Confident82.1Confident97 Ų9799.2 Ų99.245%0.45350%0.498SS..Hα-helixtrans-65.2-35172.8-75.5-171.6-17500112.2L429 A430 R437L429-E433 WeakPolarHBondContact O-CG 3.47Å; L429-E433 PolarHBondContact O-N 2.89Å; A430-E433 PolarHBondContact O-N 3.44Å; E433-R437 VanDerWaalsContact O-CG 3.29Å; E433-R437 WeakPolarHBondContact O-CG 3.13Å; E433-R437 PolarHBondContact O-N 3.35Å; E433-R437 IonicContact OE2-NH1 3.24Å; E433-R437 PolarHBondContact OE2-NH1 3.27Å
434E88.8Confident81.9Confident112 Ų112100.4 Ų100.452%0.52350%0.497SS..Hα-helixtrans-70.6-44.2175.8-168.9166.2142.200112.2A430 D431 L432 N436 R437 N438A430-E434 PolarHBondContact O-N 3.09Å; D431-E434 PolarHBondContact O-N 2.86Å; L432-E434 VanDerWaalsContact C-N 3.31Å; E434-N436 VanDerWaalsContact C-N 3.28Å; E434-N436 PolarHBondContact O-N 2.84Å; E434-R437 PolarHBondContact O-N 2.59Å; E434-N438 WeakPolarHBondContact O-CB 3.21Å; E434-N438 VanDerWaalsContact O-CG 3.31Å; E434-N438 PolarHBondContact O-N 2.81Å; E434-N438 PolarHBondContact O-ND2 3.17Å
435E81.9Confident82.1Confident119 Ų119102.6 Ų102.656%0.55650%0.501SS*.Hα-helixtrans-59.3-41.1174.2-170.3170.5-142.900111.2D431 N438 L439D431-E435 PolarHBondContact O-N 2.96Å; E435-N438 PolarHBondContact O-N 2.75Å; E435-L439 HydrophobicContact CG-CD1 4.11Å; E435-L439 HydrophobicContact CG-CG 4.48Å; E435-L439 WeakPolarHBondContact O-CB 3.5Å; E435-L439 VanDerWaalsContact O-CG 3.31Å; E435-L439 WeakPolarHBondContact O-CG 3.35Å; E435-L439 PolarHBondContact O-N 2.93Å
436N76.6Confident82.2Confident108 Ų108101.8 Ų101.858%0.57850%0.497SS*.Hα-helixtrans-65.5-41.9176.1-163.44.3000112.4L432 E434 N438 L439 Q440L432-N436 VanDerWaalsContact O-CB 3.25Å; L432-N436 WeakPolarHBondContact O-CB 3.14Å; L432-N436 PolarHBondContact O-N 3.43Å; E434-N436 VanDerWaalsContact C-N 3.28Å; E434-N436 PolarHBondContact O-N 2.84Å; N436-N438 VanDerWaalsContact C-N 3.32Å; N436-N438 PolarHBondContact O-N 2.85Å; N436-L439 PolarHBondContact O-N 2.99Å; N436-Q440 WeakPolarHBondContact O-CB 3.33Å; N436-Q440 PolarHBondContact O-N 3.39Å
437R91Very high81.6Confident130 Ų130101.5 Ų101.549%0.49149%0.494SS..Hα-helixtrans-58.6-42.8171.8-76.2-178.7-66.5-99.23.3111.8E433 E434 A441E433-R437 VanDerWaalsContact O-CG 3.29Å; E433-R437 WeakPolarHBondContact O-CG 3.13Å; E433-R437 PolarHBondContact O-N 3.35Å; E433-R437 IonicContact OE2-NH1 3.24Å; E433-R437 PolarHBondContact OE2-NH1 3.27Å; E434-R437 PolarHBondContact O-N 2.59Å; R437-A441 PolarHBondContact O-N 2.9Å; R437-A441 VanDerWaalsContact O-N 3.08Å
438N85.2Confident81Confident98 Ų98101.4 Ų101.452%0.52450%0.499SS..Hα-helixtrans-68.6-44.3179.7-71.5-32.6000112.2E434 E435 N436 Q440 A441 E442E434-N438 WeakPolarHBondContact O-CB 3.21Å; E434-N438 VanDerWaalsContact O-CG 3.31Å; E434-N438 PolarHBondContact O-N 2.81Å; E434-N438 PolarHBondContact O-ND2 3.17Å; E435-N438 PolarHBondContact O-N 2.75Å; N436-N438 VanDerWaalsContact C-N 3.32Å; N436-N438 PolarHBondContact O-N 2.85Å; N438-Q440 PolarHBondContact O-N 3.36Å; N438-A441 PolarHBondContact O-N 3.39Å; N438-E442 PolarHBondContact O-N 3.45Å
439L81.7Confident80.4Confident106 Ų106102.5 Ų102.556%0.55550%0.502SS*.Hα-helixtrans-62.1-40.2175.5-73.7169.3000112.2E435 N436 E442 Y443E435-L439 HydrophobicContact CG-CD1 4.11Å; E435-L439 HydrophobicContact CG-CG 4.48Å; E435-L439 WeakPolarHBondContact O-CB 3.5Å; E435-L439 VanDerWaalsContact O-CG 3.31Å; E435-L439 WeakPolarHBondContact O-CG 3.35Å; E435-L439 PolarHBondContact O-N 2.93Å; N436-L439 PolarHBondContact O-N 2.99Å; L439-E442 PolarHBondContact O-N 2.75Å; L439-Y443 WeakPolarHBondContact O-CB 3.13Å; L439-Y443 PolarHBondContact O-N 2.85Å
440Q80.9Confident79.8Confident96 Ų96103.3 Ų103.345%0.44950%0.503SS..Hα-helixtrans-64.5-43.1175.5-174.359.25500111.5N436 N438 E442 Y443 D444N436-Q440 WeakPolarHBondContact O-CB 3.33Å; N436-Q440 PolarHBondContact O-N 3.39Å; N438-Q440 PolarHBondContact O-N 3.36Å; Q440-E442 PolarHBondContact O-N 3.47Å; Q440-Y443 WeakPolarHBondContact O-CB 3.06Å; Q440-Y443 PolarHBondContact O-N 2.86Å; Q440-D444 PolarHBondContact NE2-OD2 3.39Å; Q440-D444 PolarHBondContact O-N 3.35Å
441A86.2Confident78.1Confident62 Ų62106.6 Ų106.651%0.51251%0.51SS..Hα-helixtrans-64.4-37.4176.100000112.8R437 N438 R445R437-A441 PolarHBondContact O-N 2.9Å; R437-A441 VanDerWaalsContact O-N 3.08Å; N438-A441 PolarHBondContact O-N 3.39Å; A441-R445 VanDerWaalsContact O-CB 3.31Å; A441-R445 WeakPolarHBondContact O-CB 3.08Å; A441-R445 PolarHBondContact O-N 2.96Å
442E81.4Confident76.7Confident99 Ų99109.9 Ų109.946%0.46352%0.522SS..Hα-helixtrans-72.1-37.1174.4-175.5142.2-12000112.3N438 L439 Q440 R445 L446N438-E442 PolarHBondContact O-N 3.45Å; L439-E442 PolarHBondContact O-N 2.75Å; Q440-E442 PolarHBondContact O-N 3.47Å; E442-R445 PolarHBondContact O-N 2.99Å; E442-R445 IonicContact OE1-NH1 3.56Å; E442-R445 PolarHBondContact OE1-NH1 3.47Å; E442-L446 HydrophobicContact CG-CD1 4.06Å; E442-L446 HydrophobicContact CG-CG 4.4Å; E442-L446 WeakPolarHBondContact O-CB 3.3Å; E442-L446 VanDerWaalsContact O-CG 3.29Å; E442-L446 WeakPolarHBondContact O-CG 3.38Å; E442-L446 PolarHBondContact O-N 2.71Å
443Y75.3Confident75.7Confident144 Ų144113 Ų11357%0.56553%0.531SS*.Hα-helixtrans-57.8-49.9171.2174.2-90.8000111.6L439 Q440 R445 L446 K447L439-Y443 WeakPolarHBondContact O-CB 3.13Å; L439-Y443 PolarHBondContact O-N 2.85Å; Q440-Y443 WeakPolarHBondContact O-CB 3.06Å; Q440-Y443 PolarHBondContact O-N 2.86Å; Y443-R445 VanDerWaalsContact C-N 3.34Å; Y443-R445 PolarHBondContact O-N 3.23Å; Y443-L446 PolarHBondContact O-N 3.31Å; Y443-K447 HydrophobicContact CE1-CD 4.31Å; Y443-K447 WeakPolarHBondContact O-CB 3.43Å; Y443-K447 PolarHBondContact O-N 3.07Å
444D79Confident74Confident57 Ų57111.3 Ų111.331%0.30554%0.54SS..Hα-helixtrans-67.7-33.6179.9-75.7-48.9000112.2Q440 K447 Q448Q440-D444 PolarHBondContact NE2-OD2 3.39Å; Q440-D444 PolarHBondContact O-N 3.35Å; D444-K447 PolarHBondContact O-N 2.73Å; D444-Q448 WeakPolarHBondContact O-CB 3.35Å; D444-Q448 VanDerWaalsContact O-CG 3.29Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.27Å
445R84.8Confident72.1Confident146 Ų146112.4 Ų112.455%0.55155%0.548SS*.Hα-helixtrans-63.4-43.7170.6-179.9-174.7178.9-150.74.2112.3A441 E442 Y443 Q448 Q449A441-R445 VanDerWaalsContact O-CB 3.31Å; A441-R445 WeakPolarHBondContact O-CB 3.08Å; A441-R445 PolarHBondContact O-N 2.96Å; E442-R445 PolarHBondContact O-N 2.99Å; E442-R445 IonicContact OE1-NH1 3.56Å; E442-R445 PolarHBondContact OE1-NH1 3.47Å; Y443-R445 VanDerWaalsContact C-N 3.34Å; Y443-R445 PolarHBondContact O-N 3.23Å; R445-Q448 PolarHBondContact O-N 3.13Å; R445-Q449 WeakPolarHBondContact O-CG 3.34Å; R445-Q449 PolarHBondContact O-N 3.06Å
446L70.9Confident70.1Confident101 Ų101112 Ų11253%0.52956%0.559SS.*Hα-helixtrans-67.5-39.4177-74.4167.9000111.6E442 Y443 Q449 H450E442-L446 HydrophobicContact CG-CD1 4.06Å; E442-L446 HydrophobicContact CG-CG 4.4Å; E442-L446 WeakPolarHBondContact O-CB 3.3Å; E442-L446 VanDerWaalsContact O-CG 3.29Å; E442-L446 WeakPolarHBondContact O-CG 3.38Å; E442-L446 PolarHBondContact O-N 2.71Å; Y443-L446 PolarHBondContact O-N 3.31Å; L446-Q449 PolarHBondContact O-N 3.29Å; L446-H450 PolarHBondContact O-N 3.23Å
447K72.8Confident69.3Low96 Ų96112.3 Ų112.342%0.41757%0.567SS.*Hα-helixtrans-60.3-48.3172.9179.9-177.2169.4-169.10111.5Y443 D444 Q449 H450 E451Y443-K447 HydrophobicContact CE1-CD 4.31Å; Y443-K447 WeakPolarHBondContact O-CB 3.43Å; Y443-K447 PolarHBondContact O-N 3.07Å; D444-K447 PolarHBondContact O-N 2.73Å; K447-Q449 VanDerWaalsContact C-N 3.32Å; K447-Q449 PolarHBondContact O-N 2.98Å; K447-H450 WeakPolarHBondContact O-CA 3.49Å; K447-H450 WeakPolarHBondContact O-CB 3.3Å; K447-H450 PolarHBondContact O-N 3.34Å; K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 PolarHBondContact O-N 2.99Å
448Q73.8Confident66.7Low125 Ų125114 Ų11458%0.58459%0.585SS**Hα-helixtrans-60.3-39.4174.4-73.4173.619.800112.1D444 R445 H450 E451 H452D444-Q448 WeakPolarHBondContact O-CB 3.35Å; D444-Q448 VanDerWaalsContact O-CG 3.29Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.27Å; R445-Q448 PolarHBondContact O-N 3.13Å; Q448-H450 PolarHBondContact O-N 3.49Å; Q448-E451 PolarHBondContact O-N 3.16Å; Q448-H452 VanDerWaalsContact O-CB 3.23Å; Q448-H452 WeakPolarHBondContact O-CB 3.42Å; Q448-H452 PolarHBondContact O-N 2.91Å
449Q68.5Low64.7Low98 Ų98114.5 Ų114.546%0.45859%0.593SS.*Hα-helixtrans-64.6-25.9172.3-75.2-171.4200113.7R445 L446 K447 K453R445-Q449 WeakPolarHBondContact O-CG 3.34Å; R445-Q449 PolarHBondContact O-N 3.06Å; L446-Q449 PolarHBondContact O-N 3.29Å; K447-Q449 VanDerWaalsContact C-N 3.32Å; K447-Q449 PolarHBondContact O-N 2.98Å; Q449-K453 WeakPolarHBondContact O-CD 3.36Å; Q449-K453 WeakPolarHBondContact O-CG 3.48Å
450H60.7Low62.9Low123 Ų123114.4 Ų114.457%0.56960%0.601SS**Hα-helixtrans-79.9-39.9176.3-153.8-72.1000111.8L446 K447 Q448L446-H450 PolarHBondContact O-N 3.23Å; K447-H450 WeakPolarHBondContact O-CA 3.49Å; K447-H450 WeakPolarHBondContact O-CB 3.3Å; K447-H450 PolarHBondContact O-N 3.34Å; Q448-H450 PolarHBondContact O-N 3.49Å
451E54.1Low61.1Low117 Ų117115.9 Ų115.955%0.54762%0.619SS.*Hα-helixtrans-67.2-44.2174.2-69.7169.8-178.100111.3K447 Q448 K453 G454K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 PolarHBondContact O-N 2.99Å; Q448-E451 PolarHBondContact O-N 3.16Å; E451-K453 PolarHBondContact O-N 3.12Å; E451-K453 VanDerWaalsContact O-N 3.13Å; E451-G454 PolarHBondContact O-N 2.92Å
452H54.3Low58.9Low175 Ų175118.8 Ų118.881%0.8163%0.633SS**THydrogen-bonded Turntrans-68-13.1-179.2-152.9-29.9000113.7Q448 G454Q448-H452 VanDerWaalsContact O-CB 3.23Å; Q448-H452 WeakPolarHBondContact O-CB 3.42Å; Q448-H452 PolarHBondContact O-N 2.91Å; H452-G454 PolarHBondContact O-N 3.35Å
453K55.2Low57.1Low165 Ų165122.4 Ų122.472%0.71765%0.65SS**THydrogen-bonded Turntrans-79.62.2169.4-78.3172.8-179.1173.10114Q449 E451Q449-K453 WeakPolarHBondContact O-CD 3.36Å; Q449-K453 WeakPolarHBondContact O-CG 3.48Å; E451-K453 PolarHBondContact O-N 3.12Å; E451-K453 VanDerWaalsContact O-N 3.13Å
454G50.2Low55.2Low61 Ų61123 Ų12363%0.62966%0.66SS**THydrogen-bonded Turntrans83.813.5165.200000116.2E451 H452 S456E451-G454 PolarHBondContact O-N 2.92Å; H452-G454 PolarHBondContact O-N 3.35Å; G454-S456 PolarHBondContact O-N 3.4Å; G454-S456 VanDerWaalsContact O-N 3.11Å
455L48.6Very low53.2Low134 Ų134128.1 Ų128.170%0.70268%0.683SS**  trans-84.478.3174.9-67.1177.9000111
456S41Very low51.4Low112 Ų112126.6 Ų126.678%0.78369%0.693SS**  trans-71.4143.6174.4-158.70000111.6G454G454-S456 PolarHBondContact O-N 3.4Å; G454-S456 VanDerWaalsContact O-N 3.11Å
457P60.6Low50Low114 Ų114128.5 Ų128.574%0.7471%0.708SS**  trans-88.5121.8-168.333.1-34.2000113.8
458L35.7Very low48.7Very low166 Ų166128.8 Ų128.887%0.86972%0.723SS**  trans-160176.3166.7-136.672.1000110.6
459P43.2Very low47.4Very low108 Ų108126.5 Ų126.570%0.70172%0.719SS**  -114.6-150.6-9542.2-29.5000112.6
460S43.7Very low46.7Very low104 Ų104131.2 Ų131.273%0.72774%0.741SS**  trans-44.7135.9175.5-50.40000113.6P462S460-P462 WeakPolarHBondContact O-CD 3.4Å
461P42.2Very low46.6Very low126 Ų126127 Ų12782%0.81873%0.726SS**PPolyproline II helixtrans-68.1131.7-177.8-19.231.9000113.1
462P41.7Very low46.7Very low124 Ų124127.1 Ų127.181%0.80574%0.736SS**PPolyproline II helixtrans-69.3167.4159-14.830.8000111.6S460S460-P462 WeakPolarHBondContact O-CD 3.4Å
463E42.3Very low46.8Very low174 Ų174127.6 Ų127.681%0.81373%0.731SS**PPolyproline II helixtrans-75.9164.4175.5-63.2-172.8112.100113.8
464M36.3Very low46.6Very low158 Ų158123.4 Ų123.478%0.77872%0.716SS**  trans84.7117.1159.3-78-176.4-8800121.6
465M36.7Very low47.1Very low163 Ų163122.7 Ų122.780%0.80370%0.704SS**  trans85.3151.4140.3-65.3-62.8107.700119.5
466P47.7Very low47.9Very low115 Ų115122.8 Ų122.875%0.74770%0.701SS**  trans-111.3123.8-145.737.1-27.4000114.7
467T41Very low49Very low140 Ų140122 Ų12286%0.85969%0.688SS**PPolyproline II helixtrans-87.9122.4156.848.80000109.7
468S45.8Very low49.6Very low103 Ų103121.1 Ų121.172%0.7268%0.676SS**PPolyproline II helixtrans-62.9135.1-179.5-168.20000111.7Q470S468-Q470 PolarHBondContact O-N 3.01Å
469P46.2Very low51.2Low77 Ų77116 Ų11650%0.566%0.657SS.*PPolyproline II helixtrans-66.4123.5178.327.2-33.7000110.7S471 A475P469-S471 PolarHBondContact O-N 3.16Å; P469-A475 HydrophobicContact CG-CB 4.49Å
470Q53.9Low52.7Low196 Ų196116.1 Ų116.192%0.91665%0.648SS**SBendtrans-80.912.6-176-72.1-162.9-17.700115.1S468S468-Q470 PolarHBondContact O-N 3.01Å
471S58.3Low53.7Low36 Ų36113.1 Ų113.125%0.25263%0.63SS.*SBendtrans-152.9158.7151.984.40000111.9P469 R473 D474P469-S471 PolarHBondContact O-N 3.16Å; S471-R473 PolarHBondContact O-N 2.97Å; S471-R473 PolarHBondContact OG-N 2.82Å; S471-R473 VanDerWaalsContact OG-N 3.13Å; S471-D474 VanDerWaalsContact CB-OD2 3.28Å; S471-D474 WeakPolarHBondContact CB-OD2 3.4Å; S471-D474 PolarHBondContact N-OD2 3.11Å; S471-D474 VanDerWaalsContact OG-CG 3.22Å; S471-D474 PolarHBondContact OG-N 3.37Å; S471-D474 VanDerWaalsContact OG-N 3.1Å; S471-D474 PolarHBondContact OG-OD2 3.42Å
472P56.7Low55.2Low118 Ų118114.1 Ų114.177%0.76662%0.622SS**Hα-helixtrans-60.1-27.8168.3-22.434000112.9A475 E476P472-A475 PolarHBondContact O-N 2.82Å; P472-E476 PolarHBondContact O-N 3.3Å
473R55.1Low56.8Low185 Ų185113.8 Ų113.870%0.69861%0.613SS**Hα-helixtrans-76.7-32.7-173.4-156.7169.5-168.51533.2112.4S471 A475 E476 L477S471-R473 PolarHBondContact O-N 2.97Å; S471-R473 PolarHBondContact OG-N 2.82Å; S471-R473 VanDerWaalsContact OG-N 3.13Å; R473-A475 VanDerWaalsContact C-N 3.35Å; R473-E476 PolarHBondContact O-N 3.41Å; R473-L477 VanDerWaalsContact O-CG 3.31Å; R473-L477 WeakPolarHBondContact O-CG 3.16Å; R473-L477 PolarHBondContact O-N 3.15Å
474D52Low58.2Low77 Ų77110.7 Ų110.741%0.41260%0.601SS.*Hα-helixtrans-68.5-37173.7-56.1-57000111.1S471 I478S471-D474 VanDerWaalsContact CB-OD2 3.28Å; S471-D474 WeakPolarHBondContact CB-OD2 3.4Å; S471-D474 PolarHBondContact N-OD2 3.11Å; S471-D474 VanDerWaalsContact OG-CG 3.22Å; S471-D474 PolarHBondContact OG-N 3.37Å; S471-D474 VanDerWaalsContact OG-N 3.1Å; S471-D474 PolarHBondContact OG-OD2 3.42Å; D474-I478 WeakPolarHBondContact O-CB 3.31Å; D474-I478 WeakPolarHBondContact O-CD1 3.39Å; D474-I478 WeakPolarHBondContact O-CG1 3.47Å; D474-I478 PolarHBondContact O-N 3.34Å
475A60.3Low59.9Low46 Ų46112.7 Ų112.738%0.3860%0.6SS.*Hα-helixtrans-65-39.3174.400000112.1P469 P472 R473 A479P469-A475 HydrophobicContact CG-CB 4.49Å; P472-A475 PolarHBondContact O-N 2.82Å; R473-A475 VanDerWaalsContact C-N 3.35Å; A475-A479 PolarHBondContact O-N 2.85Å
476E65.7Low62Low136 Ų136111 Ų11164%0.63659%0.59SS**Hα-helixtrans-65-48.2175.2-171.1169.2-138.200111.8P472 R473 I478 A479 E480P472-E476 PolarHBondContact O-N 3.3Å; R473-E476 PolarHBondContact O-N 3.41Å; E476-I478 VanDerWaalsContact C-N 3.33Å; E476-I478 PolarHBondContact O-N 3.17Å; E476-A479 WeakPolarHBondContact O-CB 3.15Å; E476-A479 PolarHBondContact O-N 2.84Å; E476-A479 VanDerWaalsContact O-N 3.08Å; E476-E480 PolarHBondContact O-N 3.31Å
477L64.9Low63.4Low95 Ų95110.5 Ų110.550%0.49758%0.578SS.*Hα-helixtrans-61.9-36.8175.7-71.2167.6000112.7R473 A479 A481R473-L477 VanDerWaalsContact O-CG 3.31Å; R473-L477 WeakPolarHBondContact O-CG 3.16Å; R473-L477 PolarHBondContact O-N 3.15Å; L477-A479 VanDerWaalsContact C-N 3.34Å; L477-A481 VanDerWaalsContact O-CB 3.27Å; L477-A481 WeakPolarHBondContact O-CB 3.38Å; L477-A481 PolarHBondContact O-N 3.06Å
478I71.6Confident65.4Low96 Ų96109.8 Ų109.849%0.49256%0.563SS.*Hα-helixtrans-68.4-33.8174.3-71.5165.7000111.4D474 E476 K482D474-I478 WeakPolarHBondContact O-CB 3.31Å; D474-I478 WeakPolarHBondContact O-CD1 3.39Å; D474-I478 WeakPolarHBondContact O-CG1 3.47Å; D474-I478 PolarHBondContact O-N 3.34Å; E476-I478 VanDerWaalsContact C-N 3.33Å; E476-I478 PolarHBondContact O-N 3.17Å; I478-K482 HydrophobicContact CG2-CD 4.49Å; I478-K482 VanDerWaalsContact O-CG 3.32Å; I478-K482 WeakPolarHBondContact O-CG 3.29Å; I478-K482 PolarHBondContact O-N 3.47Å
479A70.4Confident66.9Low58 Ų58106.5 Ų106.548%0.47955%0.545SS..Hα-helixtrans-69.5-45.2174.400000111.6A475 E476 L477 K482 L483A475-A479 PolarHBondContact O-N 2.85Å; E476-A479 WeakPolarHBondContact O-CB 3.15Å; E476-A479 PolarHBondContact O-N 2.84Å; E476-A479 VanDerWaalsContact O-N 3.08Å; L477-A479 VanDerWaalsContact C-N 3.34Å; A479-K482 PolarHBondContact O-N 2.9Å; A479-L483 PolarHBondContact O-N 2.94Å
480E73.9Confident68.5Low111 Ų111109.9 Ų109.952%0.51955%0.548SS..Hα-helixtrans-60.2-47.4174.9-176175.1-155.100111.5E476 K482 L483 L484E476-E480 PolarHBondContact O-N 3.31Å; E480-K482 VanDerWaalsContact C-N 3.26Å; E480-K482 PolarHBondContact O-N 3.36Å; E480-L483 WeakPolarHBondContact O-CB 3.45Å; E480-L483 PolarHBondContact O-N 2.97Å; E480-L483 VanDerWaalsContact O-N 3.07Å; E480-L484 HydrophobicContact CG-CD1 4.02Å; E480-L484 HydrophobicContact CG-CG 4.38Å; E480-L484 WeakPolarHBondContact O-CG 3.27Å; E480-L484 PolarHBondContact O-N 3.25Å
481A65.3Low69.6Low42 Ų42104.8 Ų104.835%0.34753%0.526SS..Hα-helixtrans-61.2-31.2177.400000113.3L477 R485L477-A481 VanDerWaalsContact O-CB 3.27Å; L477-A481 WeakPolarHBondContact O-CB 3.38Å; L477-A481 PolarHBondContact O-N 3.06Å; A481-R485 WeakPolarHBondContact O-CD 3.35Å; A481-R485 VanDerWaalsContact O-CG 3.25Å; A481-R485 WeakPolarHBondContact O-CG 3.29Å; A481-R485 PolarHBondContact O-N 3.22Å
482K72.6Confident70.7Confident146 Ų146107.5 Ų107.564%0.63554%0.535SS*.Hα-helixtrans-71.8-44.1171.5-75.8173.6-178.7-179.40111.6I478 A479 E480 L484 R485 Q486I478-K482 HydrophobicContact CG2-CD 4.49Å; I478-K482 VanDerWaalsContact O-CG 3.32Å; I478-K482 WeakPolarHBondContact O-CG 3.29Å; I478-K482 PolarHBondContact O-N 3.47Å; A479-K482 PolarHBondContact O-N 2.9Å; E480-K482 VanDerWaalsContact C-N 3.26Å; E480-K482 PolarHBondContact O-N 3.36Å; K482-L484 PolarHBondContact O-N 2.8Å; K482-R485 PolarHBondContact O-N 2.66Å; K482-Q486 PolarHBondContact O-N 3.15Å
483L76.8Confident71.8Confident118 Ų118104.4 Ų104.462%0.61852%0.52SS*.Hα-helixtrans-62.3-42.8179.2-161.476000111.6A479 E480 Q486 H487A479-L483 PolarHBondContact O-N 2.94Å; E480-L483 WeakPolarHBondContact O-CB 3.45Å; E480-L483 PolarHBondContact O-N 2.97Å; E480-L483 VanDerWaalsContact O-N 3.07Å; L483-Q486 PolarHBondContact O-N 3.38Å; L483-H487 WeakPolarHBondContact O-CB 3.49Å; L483-H487 PolarHBondContact O-N 3.44Å
484L70.3Confident73.2Confident108 Ų108102.9 Ų102.957%0.56551%0.514SS*.Hα-helixtrans-63.1-41.7175.9-71171.7000112.2E480 K482 H487 K488E480-L484 HydrophobicContact CG-CD1 4.02Å; E480-L484 HydrophobicContact CG-CG 4.38Å; E480-L484 WeakPolarHBondContact O-CG 3.27Å; E480-L484 PolarHBondContact O-N 3.25Å; K482-L484 PolarHBondContact O-N 2.8Å; L484-H487 PolarHBondContact O-N 3.09Å; L484-K488 WeakPolarHBondContact O-CB 3.29Å; L484-K488 PolarHBondContact O-N 3.16Å
485R73.2Confident74.5Confident200 Ų200104.3 Ų104.376%0.75552%0.519SS*.Hα-helixtrans-63.4-41.4174.1-72.9171.9-170.1-125.33.3112A481 K482 K488 G489A481-R485 WeakPolarHBondContact O-CD 3.35Å; A481-R485 VanDerWaalsContact O-CG 3.25Å; A481-R485 WeakPolarHBondContact O-CG 3.29Å; A481-R485 PolarHBondContact O-N 3.22Å; K482-R485 PolarHBondContact O-N 2.66Å; R485-K488 PolarHBondContact O-N 2.97Å; R485-G489 PolarHBondContact O-N 3.41Å
486Q79.5Confident75.6Confident129 Ų129106.4 Ų106.460%0.60352%0.521SS*.Hα-helixtrans-65.6-40.4175.5-167.5-175.324.700111.8K482 L483 R490K482-Q486 PolarHBondContact O-N 3.15Å; L483-Q486 PolarHBondContact O-N 3.38Å; Q486-R490 WeakPolarHBondContact O-CG 3.44Å; Q486-R490 PolarHBondContact O-N 2.87Å; Q486-R490 VanDerWaalsContact O-N 3.11Å
487H77.2Confident76.6Confident104 Ų104105.6 Ų105.648%0.48152%0.52SS..Hα-helixtrans-67.4-40.6177.1-162.6-95.8000111.9L483 L484 R490 L491L483-H487 WeakPolarHBondContact O-CB 3.49Å; L483-H487 PolarHBondContact O-N 3.44Å; L484-H487 PolarHBondContact O-N 3.09Å; H487-R490 PolarHBondContact O-N 2.56Å; H487-L491 WeakPolarHBondContact O-CG 3.22Å; H487-L491 PolarHBondContact O-N 2.93Å
488K82.9Confident77.6Confident125 Ų125106.9 Ų106.954%0.54353%0.527SS..Hα-helixtrans-57.1-53.4172.6176.9175.7168.2174.80111.3L484 R485 R490 L491 E492L484-K488 WeakPolarHBondContact O-CB 3.29Å; L484-K488 PolarHBondContact O-N 3.16Å; R485-K488 PolarHBondContact O-N 2.97Å; K488-R490 VanDerWaalsContact C-N 3.26Å; K488-R490 PolarHBondContact O-N 3.42Å; K488-L491 WeakPolarHBondContact O-CA 3.15Å; K488-L491 WeakPolarHBondContact O-CB 3.24Å; K488-L491 PolarHBondContact O-N 2.86Å; K488-E492 WeakPolarHBondContact CE-OE1 3.47Å; K488-E492 VanDerWaalsContact CE-OE2 3.29Å; K488-E492 WeakPolarHBondContact CE-OE2 3.3Å; K488-E492 HydrophobicContact CG-CG 4.36Å; K488-E492 WeakPolarHBondContact CG-OE2 3.38Å; K488-E492 IonicContact NZ-OE1 3.67Å; K488-E492 PolarHBondContact NZ-OE1 2.8Å; K488-E492 PolarHBondContact O-N 2.87Å
489G78.3Confident78.3Confident34 Ų34106 Ų10635%0.35152%0.521SS..Hα-helixtrans-60.3-32.817900000113.8R485 A493R485-G489 PolarHBondContact O-N 3.41Å; G489-A493 WeakPolarHBondContact O-CB 3.49Å; G489-A493 PolarHBondContact O-N 3.08Å
490R80.1Confident79.1Confident147 Ų147106.4 Ų106.456%0.55552%0.515SS*.Hα-helixtrans-70.6-28.8172.7-72.8178.871.1-169.14113.6Q486 H487 K488 R494Q486-R490 WeakPolarHBondContact O-CG 3.44Å; Q486-R490 PolarHBondContact O-N 2.87Å; Q486-R490 VanDerWaalsContact O-N 3.11Å; H487-R490 PolarHBondContact O-N 2.56Å; K488-R490 VanDerWaalsContact C-N 3.26Å; K488-R490 PolarHBondContact O-N 3.42Å; R490-R494 WeakPolarHBondContact O-CG 3.45Å; R490-R494 PolarHBondContact O-N 2.88Å
491L77.6Confident79.7Confident89 Ų89106 Ų10647%0.46651%0.513SS..Hα-helixtrans-77-43.7173.3-73170000111H487 K488 A493 R494 M495H487-L491 WeakPolarHBondContact O-CG 3.22Å; H487-L491 PolarHBondContact O-N 2.93Å; K488-L491 WeakPolarHBondContact O-CA 3.15Å; K488-L491 WeakPolarHBondContact O-CB 3.24Å; K488-L491 PolarHBondContact O-N 2.86Å; L491-A493 PolarHBondContact O-N 3.06Å; L491-R494 PolarHBondContact O-N 3.07Å; L491-R494 VanDerWaalsContact O-N 3.12Å; L491-M495 WeakPolarHBondContact O-CB 3.24Å; L491-M495 PolarHBondContact O-N 3.21Å
492E81.1Confident80.6Confident93 Ų93107.9 Ų107.944%0.43552%0.517SS..Hα-helixtrans-60.2-44.8176-70.1171.7138.200111.2K488 R494 M495 Q496K488-E492 WeakPolarHBondContact CE-OE1 3.47Å; K488-E492 VanDerWaalsContact CE-OE2 3.29Å; K488-E492 WeakPolarHBondContact CE-OE2 3.3Å; K488-E492 HydrophobicContact CG-CG 4.36Å; K488-E492 WeakPolarHBondContact CG-OE2 3.38Å; K488-E492 IonicContact NZ-OE1 3.67Å; K488-E492 PolarHBondContact NZ-OE1 2.8Å; K488-E492 PolarHBondContact O-N 2.87Å; E492-R494 VanDerWaalsContact C-N 3.31Å; E492-R494 PolarHBondContact O-N 2.98Å; E492-M495 WeakPolarHBondContact O-CB 3.45Å; E492-M495 PolarHBondContact O-N 3.36Å; E492-Q496 PolarHBondContact O-N 3.24Å
493A79.6Confident81.4Confident54 Ų54105.5 Ų105.545%0.44651%0.507SS..Hα-helixtrans-62.2-35.117400000113.3G489 L491 I497G489-A493 WeakPolarHBondContact O-CB 3.49Å; G489-A493 PolarHBondContact O-N 3.08Å; L491-A493 PolarHBondContact O-N 3.06Å; A493-I497 WeakPolarHBondContact O-CD1 3.15Å; A493-I497 VanDerWaalsContact O-CG1 3.28Å; A493-I497 WeakPolarHBondContact O-CG1 3.41Å; A493-I497 PolarHBondContact O-N 2.98Å
494R83.5Confident81.8Confident152 Ų152105.7 Ų105.757%0.57450%0.504SS*.Hα-helixtrans-72.5-36.2174.7-80.3174.3167.3-176.9-6112.5R490 L491 E492 I497 L498R490-R494 WeakPolarHBondContact O-CG 3.45Å; R490-R494 PolarHBondContact O-N 2.88Å; L491-R494 PolarHBondContact O-N 3.07Å; L491-R494 VanDerWaalsContact O-N 3.12Å; E492-R494 VanDerWaalsContact C-N 3.31Å; E492-R494 PolarHBondContact O-N 2.98Å; R494-I497 PolarHBondContact O-N 3.25Å; R494-L498 WeakPolarHBondContact O-CG 3.41Å; R494-L498 PolarHBondContact O-N 3.45Å
495M80.6Confident82.6Confident108 Ų108104 Ų10453%0.53250%0.495SS..Hα-helixtrans-63-47.2175.2-167.4178.883.500110.1L491 E492 I497 L498 E499L491-M495 WeakPolarHBondContact O-CB 3.24Å; L491-M495 PolarHBondContact O-N 3.21Å; E492-M495 WeakPolarHBondContact O-CB 3.45Å; E492-M495 PolarHBondContact O-N 3.36Å; M495-I497 PolarHBondContact O-N 3.42Å; M495-L498 PolarHBondContact O-N 3.44Å; M495-L498 VanDerWaalsContact O-N 3.1Å; M495-E499 PolarHBondContact O-N 3.22Å
496Q82.3Confident83.3Confident90 Ų9099.6 Ų99.642%0.42148%0.483SS..Hα-helixtrans-56.1-47.7175.1-170.863.159.700112.2E492 L498 E499 D500E492-Q496 PolarHBondContact O-N 3.24Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.08Å; Q496-E499 PolarHBondContact O-N 3.25Å; Q496-D500 VanDerWaalsContact NE2-CG 3.33Å; Q496-D500 PolarHBondContact NE2-OD1 2.72Å; Q496-D500 PolarHBondContact NE2-OD2 2.71Å; Q496-D500 WeakPolarHBondContact O-CB 3.39Å; Q496-D500 VanDerWaalsContact O-CG 3.31Å; Q496-D500 PolarHBondContact O-N 3.27Å
497I87.9Confident83.5Confident118 Ų11896.4 Ų96.461%0.60548%0.475SS*.Hα-helixtrans-60.6-39177.2-68.6163.8000111.7A493 R494 M495 H501A493-I497 WeakPolarHBondContact O-CD1 3.15Å; A493-I497 VanDerWaalsContact O-CG1 3.28Å; A493-I497 WeakPolarHBondContact O-CG1 3.41Å; A493-I497 PolarHBondContact O-N 2.98Å; R494-I497 PolarHBondContact O-N 3.25Å; M495-I497 PolarHBondContact O-N 3.42Å; I497-H501 VanDerWaalsContact O-CB 3.29Å; I497-H501 WeakPolarHBondContact O-CB 3.48Å; I497-H501 PolarHBondContact O-N 2.9Å
498L84.3Confident83.7Confident123 Ų12396.9 Ų96.964%0.64448%0.478SS*.Hα-helixtrans-70.8-39.4177.4-72.3168.5000112.3R494 M495 Q496 N502R494-L498 WeakPolarHBondContact O-CG 3.41Å; R494-L498 PolarHBondContact O-N 3.45Å; M495-L498 PolarHBondContact O-N 3.44Å; M495-L498 VanDerWaalsContact O-N 3.1Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.08Å; L498-N502 WeakPolarHBondContact O-CB 3.34Å; L498-N502 PolarHBondContact O-N 3.27Å
499E87.2Confident83.8Confident77 Ų7795.1 Ų95.136%0.3647%0.474SS..Hα-helixtrans-63.3-43.8173.6-75.2-179.6-154.600112M495 Q496 N502 K503M495-E499 PolarHBondContact O-N 3.22Å; Q496-E499 PolarHBondContact O-N 3.25Å; E499-N502 WeakPolarHBondContact O-CB 3.5Å; E499-N502 PolarHBondContact O-N 2.72Å; E499-K503 VanDerWaalsContact O-CG 3.31Å; E499-K503 WeakPolarHBondContact O-CG 3.48Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 IonicContact OE2-NZ 3.54Å
500D86.1Confident84.1Confident67 Ų6798.6 Ų98.636%0.35848%0.481SS..Hα-helixtrans-72.8-33.2-178.7-64.3-28.9000111.8Q496 K503 Q504Q496-D500 VanDerWaalsContact NE2-CG 3.33Å; Q496-D500 PolarHBondContact NE2-OD1 2.72Å; Q496-D500 PolarHBondContact NE2-OD2 2.71Å; Q496-D500 WeakPolarHBondContact O-CB 3.39Å; Q496-D500 VanDerWaalsContact O-CG 3.31Å; Q496-D500 PolarHBondContact O-N 3.27Å; D500-K503 PolarHBondContact O-N 3.42Å; D500-K503 IonicContact OD1-NZ 2.68Å; D500-K503 PolarHBondContact OD1-NZ 3.36Å; D500-Q504 WeakPolarHBondContact O-CG 3.07Å; D500-Q504 PolarHBondContact O-N 3.13Å
501H86.8Confident84.3Confident103 Ų10399.8 Ų99.848%0.47749%0.485SS..Hα-helixtrans-66.7-36.3167.7-170-99.2000112I497 Q504 L505I497-H501 VanDerWaalsContact O-CB 3.29Å; I497-H501 WeakPolarHBondContact O-CB 3.48Å; I497-H501 PolarHBondContact O-N 2.9Å; H501-Q504 WeakPolarHBondContact O-CB 3.49Å; H501-Q504 PolarHBondContact O-N 3.11Å; H501-L505 WeakPolarHBondContact O-CG 3.28Å; H501-L505 PolarHBondContact O-N 3.46Å
502N84.7Confident84.2Confident80 Ų80100.2 Ų100.243%0.42849%0.487SS..Hα-helixtrans-66.2-43.5174-167.553.2000111.6L498 E499 Q504 L505 E506L498-N502 WeakPolarHBondContact O-CB 3.34Å; L498-N502 PolarHBondContact O-N 3.27Å; E499-N502 WeakPolarHBondContact O-CB 3.5Å; E499-N502 PolarHBondContact O-N 2.72Å; N502-Q504 VanDerWaalsContact C-N 3.27Å; N502-Q504 PolarHBondContact O-N 3.5Å; N502-L505 PolarHBondContact O-N 3.18Å; N502-L505 VanDerWaalsContact O-N 3.09Å; N502-E506 PolarHBondContact ND2-OE1 2.9Å; N502-E506 WeakPolarHBondContact O-CG 3.47Å; N502-E506 PolarHBondContact O-N 3.1Å
503K88.7Confident84.2Confident97 Ų97103 Ų10342%0.42249%0.494SS..Hα-helixtrans-59.3-36172.2-67.2162.7-154.4156.90112.1E499 D500 S507E499-K503 VanDerWaalsContact O-CG 3.31Å; E499-K503 WeakPolarHBondContact O-CG 3.48Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 IonicContact OE2-NZ 3.54Å; D500-K503 PolarHBondContact O-N 3.42Å; D500-K503 IonicContact OD1-NZ 2.68Å; D500-K503 PolarHBondContact OD1-NZ 3.36Å; K503-S507 VanDerWaalsContact O-CB 3.26Å; K503-S507 WeakPolarHBondContact O-CB 3.41Å; K503-S507 PolarHBondContact O-N 3.41Å
504Q86.6Confident84Confident122 Ų122105.6 Ų105.657%0.5750%0.497SS*.Hα-helixtrans-65.7-43.4172.5-77.3-177.7-15.200112.2D500 H501 N502 S507 Q508D500-Q504 WeakPolarHBondContact O-CG 3.07Å; D500-Q504 PolarHBondContact O-N 3.13Å; H501-Q504 WeakPolarHBondContact O-CB 3.49Å; H501-Q504 PolarHBondContact O-N 3.11Å; N502-Q504 VanDerWaalsContact C-N 3.27Å; N502-Q504 PolarHBondContact O-N 3.5Å; Q504-S507 PolarHBondContact O-N 2.85Å; Q504-Q508 WeakPolarHBondContact O-CG 3.3Å; Q504-Q508 PolarHBondContact O-N 3.13Å
505L87.6Confident83.5Confident71 Ų71104.1 Ų104.137%0.37250%0.5SS..Hα-helixtrans-65-40.6175.7-69.8169.4000112.2H501 N502 Q508 L509H501-L505 WeakPolarHBondContact O-CG 3.28Å; H501-L505 PolarHBondContact O-N 3.46Å; N502-L505 PolarHBondContact O-N 3.18Å; N502-L505 VanDerWaalsContact O-N 3.09Å; L505-Q508 PolarHBondContact O-N 3.13Å; L505-L509 WeakPolarHBondContact O-CB 3.35Å; L505-L509 WeakPolarHBondContact O-CG 3.5Å; L505-L509 PolarHBondContact O-N 3.29Å
506E86.4Confident82.7Confident108 Ų108106 Ų10651%0.50551%0.511SS..Hα-helixtrans-62.5-41.5173.5-72.6170.1178.300111.7N502 L509 H510N502-E506 PolarHBondContact ND2-OE1 2.9Å; N502-E506 WeakPolarHBondContact O-CG 3.47Å; N502-E506 PolarHBondContact O-N 3.1Å; E506-L509 PolarHBondContact O-N 3.39Å; E506-H510 WeakPolarHBondContact O-CB 3.42Å; E506-H510 PolarHBondContact O-N 2.93Å
507S84.1Confident81.9Confident63 Ų63108.6 Ų108.644%0.44152%0.523SS..Hα-helixtrans-65.8-39.9174.8-174.90000112.5K503 Q504 H510 R511K503-S507 VanDerWaalsContact O-CB 3.26Å; K503-S507 WeakPolarHBondContact O-CB 3.41Å; K503-S507 PolarHBondContact O-N 3.41Å; Q504-S507 PolarHBondContact O-N 2.85Å; S507-H510 PolarHBondContact O-N 3.3Å; S507-R511 WeakPolarHBondContact O-CG 3.49Å; S507-R511 PolarHBondContact O-N 2.95Å
508Q82.4Confident80.2Confident113 Ų113109.8 Ų109.853%0.52853%0.526SS..Hα-helixtrans-64.2-44.7172.4-74.4177.51.500111.6Q504 L505 H510 R511 L512Q504-Q508 WeakPolarHBondContact O-CG 3.3Å; Q504-Q508 PolarHBondContact O-N 3.13Å; L505-Q508 PolarHBondContact O-N 3.13Å; Q508-H510 VanDerWaalsContact C-N 3.32Å; Q508-H510 PolarHBondContact O-N 3.49Å; Q508-R511 PolarHBondContact O-N 2.69Å; Q508-L512 WeakPolarHBondContact O-CB 3.45Å; Q508-L512 WeakPolarHBondContact O-CG 3.42Å; Q508-L512 PolarHBondContact O-N 2.69Å
509L84.5Confident78.6Confident89 Ų89109.1 Ų109.147%0.46653%0.53SS..Hα-helixtrans-61.1-38.8173.9-82165.9000112.3L505 E506 L512 R513L505-L509 WeakPolarHBondContact O-CB 3.35Å; L505-L509 WeakPolarHBondContact O-CG 3.5Å; L505-L509 PolarHBondContact O-N 3.29Å; E506-L509 PolarHBondContact O-N 3.39Å; L509-L512 PolarHBondContact O-N 3.43Å; L509-R513 WeakPolarHBondContact O-CG 3.45Å; L509-R513 PolarHBondContact O-N 3.36Å
510H84Confident76.8Confident107 Ų107115.3 Ų115.350%0.49556%0.558SS.*Hα-helixtrans-66.9-42.3176.3-168.579.5000111.9E506 S507 Q508 R513 Q514E506-H510 WeakPolarHBondContact O-CB 3.42Å; E506-H510 PolarHBondContact O-N 2.93Å; S507-H510 PolarHBondContact O-N 3.3Å; Q508-H510 VanDerWaalsContact C-N 3.32Å; Q508-H510 PolarHBondContact O-N 3.49Å; H510-R513 PolarHBondContact O-N 2.69Å; H510-Q514 PolarHBondContact CD2-NE2 2.93Å; H510-Q514 PolarHBondContact NE2-NE2 2.86Å; H510-Q514 WeakPolarHBondContact O-CG 3.39Å; H510-Q514 PolarHBondContact O-N 2.74Å
511R84.1Confident74.6Confident171 Ų171115.9 Ų115.965%0.64557%0.573SS**Hα-helixtrans-63.4-41.4172.7-73.2-176.2-179.2-166.10.2112.5S507 Q508 R513 Q514 L515S507-R511 WeakPolarHBondContact O-CG 3.49Å; S507-R511 PolarHBondContact O-N 2.95Å; Q508-R511 PolarHBondContact O-N 2.69Å; R511-R513 VanDerWaalsContact C-N 3.33Å; R511-R513 PolarHBondContact O-N 2.81Å; R511-Q514 PolarHBondContact O-N 3.45Å; R511-L515 WeakPolarHBondContact O-CG 3.38Å; R511-L515 PolarHBondContact O-N 3.38Å
512L76.6Confident72.2Confident98 Ų98120.1 Ų120.151%0.51359%0.593SS.*Hα-helixtrans-62.8-40.1176.1-74.4166.6000111.5Q508 L509 L515 L516Q508-L512 WeakPolarHBondContact O-CB 3.45Å; Q508-L512 WeakPolarHBondContact O-CG 3.42Å; Q508-L512 PolarHBondContact O-N 2.69Å; L509-L512 PolarHBondContact O-N 3.43Å; L512-L515 PolarHBondContact O-N 3.34Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.16Å; L512-L516 PolarHBondContact O-N 3.22Å
513R80.6Confident70Confident151 Ų151120.1 Ų120.157%0.5760%0.604SS**Hα-helixtrans-62.4-47.7172.2-74.2173-178.5157.41.4112.1L509 H510 R511 L515 L516 E517L509-R513 WeakPolarHBondContact O-CG 3.45Å; L509-R513 PolarHBondContact O-N 3.36Å; H510-R513 PolarHBondContact O-N 2.69Å; R511-R513 VanDerWaalsContact C-N 3.33Å; R511-R513 PolarHBondContact O-N 2.81Å; R513-L515 PolarHBondContact O-N 3.16Å; R513-L516 CarbonylContact O-C 3.43Å; R513-L516 PolarHBondContact O-N 3.18Å; R513-E517 WeakPolarHBondContact O-CB 3.45Å; R513-E517 WeakPolarHBondContact O-CG 3.24Å; R513-E517 PolarHBondContact O-N 3.03Å
514Q75.4Confident67.6Low109 Ų109125.2 Ų125.251%0.50963%0.626SS.*Hα-helixtrans-59.8-31.8175.6-71.8-175.9-2.200113.5H510 R511 Q518H510-Q514 PolarHBondContact CD2-NE2 2.93Å; H510-Q514 PolarHBondContact NE2-NE2 2.86Å; H510-Q514 WeakPolarHBondContact O-CG 3.39Å; H510-Q514 PolarHBondContact O-N 2.74Å; R511-Q514 PolarHBondContact O-N 3.45Å; Q514-Q518 PolarHBondContact O-N 3.07Å
515L73.4Confident65.1Low121 Ų121124.9 Ų124.963%0.63463%0.632SS**Hα-helixtrans-76.1-26.8174.9-71.1168.5000113.1R511 L512 R513R511-L515 WeakPolarHBondContact O-CG 3.38Å; R511-L515 PolarHBondContact O-N 3.38Å; L512-L515 PolarHBondContact O-N 3.34Å; R513-L515 PolarHBondContact O-N 3.16Å
516L62.9Low62.4Low148 Ų148129.2 Ų129.278%0.77566%0.655SS**Hα-helixtrans-84.6-30.9175-71.1165.2000112.7L512 R513 Q518L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.16Å; L512-L516 PolarHBondContact O-N 3.22Å; R513-L516 CarbonylContact O-C 3.43Å; R513-L516 PolarHBondContact O-N 3.18Å; L516-Q518 VanDerWaalsContact C-N 3.29Å
517E65.8Low59.7Low144 Ų144127.1 Ų127.167%0.67366%0.663SS**SBendtrans-80.3-6.1177.5-71.4172.3171.600113.1R513 P519R513-E517 WeakPolarHBondContact O-CB 3.45Å; R513-E517 WeakPolarHBondContact O-CG 3.24Å; R513-E517 PolarHBondContact O-N 3.03Å; E517-P519 VanDerWaalsContact O-CD 3.23Å; E517-P519 WeakPolarHBondContact O-CD 3.41Å
518Q53.2Low57.3Low143 Ų143130.6 Ų130.667%0.66868%0.682SS**SBendtrans-72.3113.6176.6-175.3161.9103.100110.9Q514 L516 Q520Q514-Q518 PolarHBondContact O-N 3.07Å; L516-Q518 VanDerWaalsContact C-N 3.29Å; Q518-Q520 PolarHBondContact O-N 2.72Å
519P48.6Very low54.8Low110 Ų110131 Ų13171%0.71469%0.692SS**  trans-69.4133.1-172.6-20.133.7000112.6E517 A521E517-P519 VanDerWaalsContact O-CD 3.23Å; E517-P519 WeakPolarHBondContact O-CD 3.41Å; P519-A521 PolarHBondContact O-N 3.2Å
520Q51.5Low52.5Low206 Ų206133 Ų13396%0.96371%0.708SS**  trans-7375.6167.8-74.1-166.9-11.300111.1Q518 E522Q518-Q520 PolarHBondContact O-N 2.72Å; Q520-E522 PolarHBondContact O-N 2.81Å
521A38.7Very low49.8Very low80 Ų80133.1 Ų133.166%0.66172%0.721SS**  trans-88.9102.1175.100000111.6P519P519-A521 PolarHBondContact O-N 3.2Å
522E37.2Very low47.4Very low191 Ų191130.3 Ų130.389%0.89373%0.727SS**  trans67159.8153.3-53.1-177.2-178.100119.3Q520Q520-E522 PolarHBondContact O-N 2.81Å
523A38.4Very low45.7Very low80 Ų80131.8 Ų131.866%0.66174%0.742SS**  -173.3144.8-57.200000109.5
524K36.8Very low43.2Very low205 Ų205129.3 Ų129.389%0.89175%0.748SS**  trans69.7162.5174.1-56.8164.3-1791660112.6
525V34.8Very low41Very low115 Ų115130.5 Ų130.570%0.69776%0.763SS**  cis-148.1131.835.2170.10000112.2
526N31.9Very low38.8Very low161 Ų161129 Ų12986%0.86176%0.763SS**  trans54.2151.9159.4-54.8-11.1000119.9
527G29Very low37.1Very low64 Ų64128.9 Ų128.966%0.6676%0.762SS**  cis164.6137.7-12.300000114.7
528T32.8Very low35.3Very low137 Ų137130.1 Ų130.184%0.8477%0.768SS**  trans75.9149.8158.9-1.60000122
529T31.2Very low34.1Very low121 Ų121134.2 Ų134.274%0.74278%0.777SS**  trans71.7104.7156.246.20000123
530V34.9Very low33.1Very low131 Ų131133.9 Ų133.979%0.79478%0.778SS**  32.6121.8127.3-156.50000119.9
531S28.3Very low31.9Very low110 Ų110131.2 Ų131.277%0.76977%0.77SS**  161.4137.4118-70.70000113.6
532S33.6Very low31.4Very low112 Ų112132.3 Ų132.378%0.78377%0.773SS**  trans-85.5161.3151-51.90000109.3
533P40.8Very low31Very low128 Ų128129 Ų12983%0.83177%0.77SS**  -147.5179.398.638.7-22.3000115.4
534S28.2Very low30.4Very low99 Ų99134.1 Ų134.169%0.69278%0.781SS**  trans-96.8-176.5-175.1-47.80000113.2
535T29.4Very low30.9Very low135 Ų135129.4 Ų129.483%0.82877%0.771SS**  trans71.4156.5160.164.10000118
536S27.7Very low30.7Very low88 Ų88131.4 Ų131.462%0.61578%0.775SS**  cis-175.5169-28.360.60000109.9
537L27Very low30.6Very low147 Ų147130.1 Ų130.177%0.7777%0.767SS**  trans70.7158.7166.4-56.3161.1000114.2
538Q27.9Very low30.4Very low169 Ų169133.5 Ų133.579%0.7977%0.77SS**  cis-148.3-172.48.2-142.5158.553.600113
539R27.2Very low30.2Very low230 Ų230137.2 Ų137.287%0.86877%0.768SS**  trans-64.4173.3179.4-58.3169.3167.6166.2-8.3112.6
540S28.6Very low30Very low103 Ų103137.3 Ų137.372%0.7277%0.768SS**  cis-163.1155.430.1-35.90000115.6
541D25.9Very low29.7Very low149 Ų149137.7 Ų137.780%0.79777%0.771SS**  trans46.1127.1142.1-85.4-56.7000126.2
542S27.1Very low29.7Very low103 Ų103135.8 Ų135.872%0.7277%0.768SS**  96.4132.2129.577.30000122.9
543S28.8Very low29.3Very low121 Ų121136.6 Ų136.685%0.84677%0.774SS**  trans80120.6145.4-57.30000122.6
544Q27Very low28.7Very low188 Ų188138.5 Ų138.588%0.87977%0.772SS**  trans-73.5179.3165.1-86.9179.7-9.900113.3
545P46.1Very low28.7Very low106 Ų106139.9 Ų139.969%0.68878%0.776SS**  cis-143.9174.8-30.238.3-20000116.2
546M31.7Very low28.7Very low158 Ų158139 Ų13978%0.77878%0.776SS**  trans55131.7137.3-74.3-78.7-99.300125.1
547L29.1Very low28.8Very low134 Ų134144 Ų14470%0.70279%0.789SS**  109.6150.5123.8-92.3178.1000124.3
548L24.9Very low28.8Very low135 Ų135143 Ų14371%0.70779%0.794SS**  trans68.4154.4167.8-88.486.1000119.1
549R28.4Very low28.7Very low215 Ų215143.9 Ų143.981%0.81180%0.801SS**  cis-170146.1-34.1-129.9-174.3176.6164.6-3111.6
550V27.3Very low28.6Very low123 Ų123136.7 Ų136.775%0.74580%0.798SS**  trans14.2129.5136.3-179.20000118.3
551V28.9Very low28.6Very low139 Ų139141 Ų14184%0.84281%0.806SS**  -161.9161.678.2177.10000108.3
552G28.6Very low28.8Very low69 Ų69143.1 Ų143.171%0.71181%0.812SS**  cis129.5134.8-1.400000114.3
553S24.4Very low29Very low130 Ų130145.5 Ų145.591%0.90982%0.816SS**  trans-162.6179.5169.5-156.10000114.3
554Q28.5Very low29Very low168 Ų168147.1 Ų147.179%0.78582%0.815SS**  trans-131.3163.6-154.9-50.1169.8400115.8
555T28.4Very low29Very low127 Ų127146 Ų14678%0.77981%0.814SS**  161.8153.4110.549.20000117.2
556S29.2Very low28.2Very low118 Ų118146.3 Ų146.383%0.82582%0.818SS**  trans85.8163.1148.164.80000123
557E29.3Very low28.1Very low193 Ų193144.7 Ų144.790%0.90282%0.82SS**  trans-128.2157.4-155.7-51.4159106.700114
558S26.7Very low28.3Very low125 Ų125144.1 Ų144.187%0.87482%0.824SS**  trans-173.9-178.5145.6-147.10000114.9
559M27.8Very low28.5Very low188 Ų188145.8 Ų145.893%0.92683%0.828SS**  trans-101.5164.6-174-56167.163.200114.2
560G24.6Very low28.4Very low78 Ų78142 Ų14280%0.80482%0.824SS**  trans175.9160167.900000114.9
561E28.1Very low28.6Very low193 Ų193143.1 Ų143.190%0.90283%0.832SS**  trans-119.2176.4-177.2-67-177.8107.100113.4
562E29.6Very low29.1Very low195 Ų195141.6 Ų141.691%0.91183%0.827SS**  trans79.3143.6162.8-61.8-164.512200121.2
563D32.5Very low29.9Very low153 Ų153143.2 Ų143.282%0.81882%0.823SS**  trans-79154.5178.5-83.7-60.6000113.2
564L29.1Very low30.6Very low154 Ų154139.3 Ų139.381%0.80680%0.804SS**  172.1129.1121.3-91.6161.7000114.4
565L26.6Very low31.2Very low165 Ų165137.8 Ų137.886%0.86480%0.8SS**  trans72.8155.6153.4-61.3165.5000120
566S29Very low32Very low112 Ų112139 Ų13978%0.78380%0.797SS**  trans-103.8164.8-159.1-38.10000114.3
567P29.7Very low32.6Very low124 Ų124139.5 Ų139.581%0.80579%0.786SS**  -142.5172.283.237.6-20.9000115.1
568P32.6Very low33.5Very low122 Ų122134.1 Ų134.179%0.79277%0.766SS**  trans-99.5149.9-171.837.1-34.2000115.5
569Q28.3Very low34.5Very low171 Ų171134.6 Ų134.680%0.79976%0.757SS**  trans-142.6143.7159.5-79.7-162.5-103.400112.6
570D28.2Very low35.3Very low136 Ų136132.1 Ų132.173%0.72774%0.742SS**  trans52.986.1147.9-51-28000120.2
571T30.4Very low36.1Very low146 Ų146134.5 Ų134.590%0.89673%0.733SS**  trans-94.299.8163.254.50000111.7
572S39.9Very low36.8Very low106 Ų106130.7 Ų130.774%0.74172%0.718SS**  trans-133.58.8173.178.70000115.6
573T45.5Very low37.4Very low103 Ų103127.9 Ų127.963%0.63271%0.709SS**  trans-92.1-23.9-171.145.40000115L575 E576T573-L575 PolarHBondContact O-N 3.3Å; T573-E576 PolarHBondContact O-N 3.2Å
574G38.3Very low37.9Very low49 Ų49126.6 Ų126.651%0.50570%0.703SS.*THydrogen-bonded Turntrans-68.2-5.4-170.400000116.9V578G574-V578 WeakPolarHBondContact O-CG2 3.42Å
575L41.5Very low38.4Very low135 Ų135123.1 Ų123.171%0.70769%0.691SS**THydrogen-bonded Turntrans-90.7-30.2178.1-83165000113.4T573 M579T573-L575 PolarHBondContact O-N 3.3Å; L575-M579 PolarHBondContact O-N 3.47Å
576E45.4Very low39Very low153 Ų153122.6 Ų122.672%0.71568%0.682SS**Hα-helixtrans-77.4-40.7-177.9-70.2-17611800111.7T573 V578 M579 E580T573-E576 PolarHBondContact O-N 3.2Å; E576-V578 VanDerWaalsContact C-N 3.27Å; E576-V578 PolarHBondContact O-N 3.05Å; E576-M579 PolarHBondContact O-N 3.46Å; E576-M579 VanDerWaalsContact O-N 3.16Å; E576-E580 PolarHBondContact O-N 3.39Å
577E41.6Very low39.3Very low128 Ų128123.4 Ų123.460%0.59868%0.684SS**Hα-helixtrans-58.2-38.8172.5-74.6-168.5114.500112.3E580 Q581E577-E580 PolarHBondContact O-N 3.29Å; E577-Q581 WeakPolarHBondContact O-CB 3.28Å; E577-Q581 VanDerWaalsContact O-CG 3.3Å; E577-Q581 WeakPolarHBondContact O-CG 3.47Å; E577-Q581 PolarHBondContact O-N 3.25Å
578V48.7Very low39.5Very low80 Ų80123 Ų12349%0.48568%0.684SS.*Hα-helixtrans-68.2-39178173.60000111.3G574 E576 L582G574-V578 WeakPolarHBondContact O-CG2 3.42Å; E576-V578 VanDerWaalsContact C-N 3.27Å; E576-V578 PolarHBondContact O-N 3.05Å; V578-L582 HydrophobicContact CG1-CD1 4.29Å; V578-L582 WeakPolarHBondContact O-CB 3.47Å; V578-L582 WeakPolarHBondContact O-CG 3.12Å; V578-L582 PolarHBondContact O-N 3.39Å; V578-L582 VanDerWaalsContact O-N 3.13Å
579M46.8Very low39.6Very low136 Ų136123.2 Ų123.267%0.6769%0.689SS**Hα-helixtrans-66.9-39.3173.6-75.5-166172.400112.4L575 E576 L582 N583L575-M579 PolarHBondContact O-N 3.47Å; E576-M579 PolarHBondContact O-N 3.46Å; E576-M579 VanDerWaalsContact O-N 3.16Å; M579-L582 PolarHBondContact O-N 3.22Å; M579-N583 WeakPolarHBondContact O-CB 3.4Å; M579-N583 PolarHBondContact O-N 3.06Å
580E45.2Very low39.8Very low135 Ų135126.4 Ų126.463%0.63169%0.694SS**Hα-helixtrans-72.7-35.5-179.7-165.9160.3-133.700112.4E576 E577 N583 N584E576-E580 PolarHBondContact O-N 3.39Å; E577-E580 PolarHBondContact O-N 3.29Å; E580-N583 PolarHBondContact O-N 3.31Å; E580-N584 PolarHBondContact O-N 3.01Å; E580-N584 VanDerWaalsContact O-N 3.12Å; E580-N584 PolarHBondContact O-ND2 3.19Å
581Q40.5Very low40Very low128 Ų128123 Ų12360%0.59869%0.692SS**Hα-helixtrans-65.1-39.7171-72.8179.423.200112.6E577 S585E577-Q581 WeakPolarHBondContact O-CB 3.28Å; E577-Q581 VanDerWaalsContact O-CG 3.3Å; E577-Q581 WeakPolarHBondContact O-CG 3.47Å; E577-Q581 PolarHBondContact O-N 3.25Å; Q581-S585 PolarHBondContact O-N 3.38Å; Q581-S585 PolarHBondContact O-OG 3.45Å
582L44Very low40.1Very low113 Ų113128 Ų12859%0.59269%0.694SS**Hα-helixtrans-62.3-43.2174-80.4166.8000112V578 M579 N584 S585V578-L582 HydrophobicContact CG1-CD1 4.29Å; V578-L582 WeakPolarHBondContact O-CB 3.47Å; V578-L582 WeakPolarHBondContact O-CG 3.12Å; V578-L582 PolarHBondContact O-N 3.39Å; V578-L582 VanDerWaalsContact O-N 3.13Å; M579-L582 PolarHBondContact O-N 3.22Å; L582-N584 PolarHBondContact O-N 3.08Å; L582-S585 WeakPolarHBondContact O-CB 3.2Å; L582-S585 PolarHBondContact O-N 2.93Å
583N42.6Very low39.6Very low136 Ų136131.1 Ų131.173%0.72770%0.702SS**Hα-helixtrans-69-32.5-177.6-156.924.3000112.7M579 E580 S585M579-N583 WeakPolarHBondContact O-CB 3.4Å; M579-N583 PolarHBondContact O-N 3.06Å; E580-N583 PolarHBondContact O-N 3.31Å; N583-S585 VanDerWaalsContact C-N 3.3Å; N583-S585 PolarHBondContact O-N 2.85Å
584N42Very low38.8Very low127 Ų127130.7 Ų130.768%0.67971%0.709SS**Hα-helixtrans-78.1-9175.9-76.6-69000114.3E580 L582 F586E580-N584 PolarHBondContact O-N 3.01Å; E580-N584 VanDerWaalsContact O-N 3.12Å; E580-N584 PolarHBondContact O-ND2 3.19Å; L582-N584 PolarHBondContact O-N 3.08Å; N584-F586 VanDerWaalsContact C-N 3.33Å; N584-F586 PolarHBondContact O-N 3.23Å
585S40.6Very low38.9Very low80 Ų80134.9 Ų134.956%0.55973%0.728SS**THydrogen-bonded Turntrans-80.8-5.7-176.3-65.30000114.8Q581 L582 N583Q581-S585 PolarHBondContact O-N 3.38Å; Q581-S585 PolarHBondContact O-OG 3.45Å; L582-S585 WeakPolarHBondContact O-CB 3.2Å; L582-S585 PolarHBondContact O-N 2.93Å; N583-S585 VanDerWaalsContact C-N 3.3Å; N583-S585 PolarHBondContact O-N 2.85Å
586F37.2Very low38.3Very low154 Ų154132.1 Ų132.168%0.67573%0.732SS**SBendtrans-134.4103.4-177.9-71.3-82.4000113N584 S588N584-F586 VanDerWaalsContact C-N 3.33Å; N584-F586 PolarHBondContact O-N 3.23Å; F586-S588 PolarHBondContact O-N 2.79Å; F586-S588 VanDerWaalsContact O-N 3.1Å
587P36.6Very low37.6Very low129 Ų129134.7 Ų134.784%0.83874%0.74SS**  trans-71.9106.6177.528.3-33.5000111.6S589P587-S589 PolarHBondContact O-N 2.82Å
588S34.4Very low37.3Very low115 Ų115134.2 Ų134.280%0.80475%0.748SS**  trans-63.7118.3176.8-76.10000112.4F586 R590F586-S588 PolarHBondContact O-N 2.79Å; F586-S588 VanDerWaalsContact O-N 3.1Å; S588-R590 PolarHBondContact O-N 3.05Å
589S33.9Very low36.4Very low128 Ų128139 Ų13990%0.89577%0.768SS**  trans-75.458.1-17847.20000113.8P587 G591P587-S589 PolarHBondContact O-N 2.82Å; S589-G591 PolarHBondContact O-N 3.16Å; S589-G591 VanDerWaalsContact O-N 3.11Å
590R32.6Very low35.6Very low237 Ų237143.7 Ų143.789%0.89478%0.778SS**  trans-78.395.8-179.9-157.3173.8-167.7175.74.2111.3S588S588-R590 PolarHBondContact O-N 3.05Å
591G32.5Very low35Very low66 Ų66145.4 Ų145.468%0.6879%0.786SS**PPolyproline II helixtrans-57.5148.2-178.100000114.7S589S589-G591 PolarHBondContact O-N 3.16Å; S589-G591 VanDerWaalsContact O-N 3.11Å
592R31.5Very low34.6Very low251 Ų251147.4 Ų147.495%0.94780%0.801SS**PPolyproline II helixtrans-73.4123.1176.1-72.5178.4171.9173.6-3.3110.9
593N29.3Very low34.3Very low170 Ų170148 Ų14891%0.90981%0.809SS**PPolyproline II helixtrans-91.9137.5163.4-88.5-16.3000110.9
594A29.9Very low34.1Very low94 Ų94153.8 Ų153.878%0.77784%0.835SS**  trans-140.2145.8161.400000108.6
595P40.6Very low33.7Very low138 Ų138155.2 Ų155.290%0.89684%0.843SS**  trans-96.4150.2-156.535.8-36.2000115.7
596G27.5Very low33.3Very low77 Ų77159.1 Ų159.179%0.79486%0.858SS**  trans-136.9148.1171.300000112.1
597K31Very low33.1Very low207 Ų207159.4 Ų159.490%0.987%0.868SS**  trans-78.9161.2-169.7-85.2-179175.4177.80114.9
598P35.9Very low32.9Very low118 Ų118161.2 Ų161.277%0.76687%0.87SS**  trans-88.5156.4177.736.2-36.3000114.5
599M30.1Very low32.8Very low181 Ų181164.1 Ų164.189%0.89287%0.874SS**  trans-124.5116.3150.6-73.3170.65700105.6
600R30.4Very low32.8Very low234 Ų234166.5 Ų166.588%0.88387%0.872SS**  66.5122.781-96.4-164.4174.9-164.8-2.4113.9
601E32.1Very low32.8Very low171 Ų171161.4 Ų161.480%0.79987%0.871SS**  trans-61.8154.4160.9-58.2139.4115.400110.5
602D31.5Very low32.8Very low169 Ų169168.8 Ų168.890%0.90489%0.885SS**  trans-143.6154.1136.6-107.5-44.7000108.3
603T38.8Very low32.9Very low125 Ų125161.9 Ų161.977%0.76788%0.88SS**  trans-116.5139.8-163-54.30000112.6
604M37.7Very low33.2Very low259 Ų259161.2 Ų161.2100%1.27688%0.878SS**  trans-153.80144.9-123.7179.3-176.500111.8

Retrieved 604 of 604 residues in 135.4 ms (Link to these results)

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