C1M0Z0_SCHMA Loading...

Mizf protein, putative

AlphaFold DB , UniProt , Accession C1M0Z0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 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
1M36.1Very low46.5Very low222 Ų222127 Ų127100%1.09470%0.697SS**  0111.40-77.4-81.1170.400107.6R3M1-R3 PolarHBondContact O-N 3.42Å
2P31.6Very low48.6Very low131 Ų131119.5 Ų119.585%0.85165%0.654SS**  trans-69.1128172.5-12.828.6000109.6
3R31Very low51.1Low256 Ų256125.8 Ų125.897%0.96667%0.672SS**SBendtrans-66.4129.5170.3-69.8173.2172.1174.9-2.4107.7M1M1-R3 PolarHBondContact O-N 3.42Å
4G38.5Very low53.8Low49 Ų49118.8 Ų118.851%0.50563%0.634SS.*  trans155.72.3171.100000120.1K6 S7G4-K6 PolarHBondContact O-N 3.03Å; G4-S7 PolarHBondContact O-N 3.3Å
5R48.3Very low56.3Low108 Ų108115.9 Ų115.941%0.40863%0.626SS.*G310 helixtrans-57.7-11.2-174.3-74.6-164.9179.7165.11.2116.7S7 L8 E203R5-S7 PolarHBondContact O-N 3.34Å; R5-L8 HydrophobicContact CB-CD1 4.29Å; R5-L8 HydrophobicContact CG-CD1 3.88Å; R5-L8 PolarHBondContact O-N 3.27Å; R5-E203 IonicContact NH1-OE2 3.19Å; R5-E203 PolarHBondContact NH1-OE2 2.95Å; R5-E203 IonicContact NH2-OE2 3.86Å
6K47.3Very low58.6Low209 Ų209109.6 Ų109.691%0.90959%0.591SS**G310 helixtrans-62.1-20.4168.6-89.1-168.9173.4-168.70112.5G4G4-K6 PolarHBondContact O-N 3.03Å
7S49.6Very low60.7Low83 Ų83106.6 Ų106.658%0.5858%0.581SS**G310 helixtrans-85.1-14.7-179.888.40000114.9G4 R5 L9 S10G4-S7 PolarHBondContact O-N 3.3Å; R5-S7 PolarHBondContact O-N 3.34Å; S7-L9 VanDerWaalsContact C-N 3.3Å; S7-L9 PolarHBondContact O-N 2.99Å; S7-S10 WeakPolarHBondContact O-CB 3.3Å; S7-S10 PolarHBondContact O-N 3.41Å
8L51.2Low62.5Low79 Ų79101.3 Ų101.341%0.41455%0.552SS.*THydrogen-bonded Turntrans-70.2-24.7-173.4-78.9163000113.7R5 I95R5-L8 HydrophobicContact CB-CD1 4.29Å; R5-L8 HydrophobicContact CG-CD1 3.88Å; R5-L8 PolarHBondContact O-N 3.27Å; L8-I95 HydrophobicContact CD2-CG2 4.32Å
9L56.6Low64.1Low77 Ų7799.2 Ų99.240%0.40354%0.539SS..THydrogen-bonded Turntrans-88.9-15.4175.1-63.3175000112.8S7 G11 M12 I88 F199S7-L9 VanDerWaalsContact C-N 3.3Å; S7-L9 PolarHBondContact O-N 2.99Å; L9-G11 PolarHBondContact O-N 3.32Å; L9-G11 VanDerWaalsContact O-N 3.14Å; L9-M12 HydrophobicContact CD2-CE 4.04Å; L9-M12 HydrophobicContact CD2-SD 3.69Å; L9-M12 WeakPolarHBondContact O-CB 3.46Å; L9-M12 PolarHBondContact O-N 3.31Å; L9-I88 HydrophobicContact CD2-CG2 4.48Å; L9-F199 HydrophobicContact CD1-CE2 3.8Å; L9-F199 HydrophobicContact CD1-CZ 3.85Å; L9-F199 HydrophobicContact CD2-CE2 4.26Å; L9-F199 HydrophobicContact CD2-CZ 4.15Å; L9-F199 HydrophobicContact CG-CE2 4.16Å; L9-F199 HydrophobicContact CG-CZ 4.38Å
10S56.6Low65.5Low104 Ų10496 Ų9673%0.72752%0.518SS*.THydrogen-bonded Turntrans-71111.3-175-1710000109.4S7S7-S10 WeakPolarHBondContact O-CB 3.3Å; S7-S10 PolarHBondContact O-N 3.41Å
11G65Low66.6Low79 Ų7994.6 Ų94.681%0.81451%0.514SS*.THydrogen-bonded Turntrans89.76.2-177.700000115.2L9 K13L9-G11 PolarHBondContact O-N 3.32Å; L9-G11 VanDerWaalsContact O-N 3.14Å; G11-K13 PolarHBondContact O-N 3Å
12M71.2Confident69.2Low37 Ų3792.2 Ų92.218%0.18251%0.506CS..  trans-72.8119.3179.7-168.5166.5132.100111.1L9 L14 H91 I95L9-M12 HydrophobicContact CD2-CE 4.04Å; L9-M12 HydrophobicContact CD2-SD 3.69Å; L9-M12 WeakPolarHBondContact O-CB 3.46Å; L9-M12 PolarHBondContact O-N 3.31Å; M12-L14 HydrophobicContact CE-CD1 4.08Å; M12-L14 HydrophobicContact CE-CD2 3.23Å; M12-L14 HydrophobicContact CE-CG 3.79Å; M12-L14 HydrophobicContact CG-CD2 4.47Å; M12-L14 HydrophobicContact CG-CG 4.41Å; M12-L14 PolarHBondContact O-N 3.47Å; M12-H91 HydrophobicContact CE-CB 3.52Å; M12-H91 WeakPolarHBondContact CE-CD2 3.38Å; M12-H91 PolarHBondContact SD-CD2 3.32Å; M12-I95 HydrophobicContact SD-CD1 4.35Å
13K81.3Confident72.2Confident202 Ų20287 Ų8788%0.87847%0.472SS*.  trans-84.3105.7173.9-68.2-176.2-179.1-179.70109.3G11G11-K13 PolarHBondContact O-N 3Å
14L88.3Confident75.1Confident27 Ų2780.4 Ų80.414%0.14146%0.464CS..  trans-94.4133.5176.6-74.9174.7000110.7M12 Y16 T87 I88 H91M12-L14 HydrophobicContact CE-CD1 4.08Å; M12-L14 HydrophobicContact CE-CD2 3.23Å; M12-L14 HydrophobicContact CE-CG 3.79Å; M12-L14 HydrophobicContact CG-CD2 4.47Å; M12-L14 HydrophobicContact CG-CG 4.41Å; M12-L14 PolarHBondContact O-N 3.47Å; L14-Y16 HydrophobicContact CB-CE1 4.13Å; L14-Y16 HydrophobicContact CB-CE2 4.04Å; L14-Y16 HydrophobicContact CD1-CE1 4.26Å; L14-Y16 VanDerWaalsContact CD1-OH 3.32Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.36Å; L14-T87 HydrophobicContact CD2-CG2 4.12Å; L14-I88 HydrophobicContact CD1-CG1 3.7Å; L14-H91 HydrophobicContact CD2-CB 4.18Å
15S92Very high77.8Confident75 Ų7581.7 Ų81.752%0.52446%0.459SS..  trans-108.8121.7169.660.20000109.5Y27 T87S15-Y27 CarbonylContact C-O 3.53Å; S15-T87 WeakPolarHBondContact O-CG2 3.24Å
16Y93.3Very high80Confident15 Ų1581 Ų816%0.05947%0.467CS..EExtended strand (participates in β ladder)trans-103.9120.5-179.3-50.7-79.9000110L14 T26 Y27 E30 L33 Q84 T87L14-Y16 HydrophobicContact CB-CE1 4.13Å; L14-Y16 HydrophobicContact CB-CE2 4.04Å; L14-Y16 HydrophobicContact CD1-CE1 4.26Å; L14-Y16 VanDerWaalsContact CD1-OH 3.32Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.36Å; Y16-T26 CarbonylContact O-C 3.53Å; Y16-T26 VanDerWaalsContact O-CA 3.28Å; Y16-T26 WeakPolarHBondContact O-CA 3.28Å; Y16-Y27 WeakPolarHBondContact CD2-O 3.32Å; Y16-Y27 PolarHBondContact N-O 3.22Å; Y16-Y27 PolarHBondContact O-N 3.49Å; Y16-E30 HydrophobicContact CE2-CB 4.29Å; Y16-L33 HydrophobicContact CG-CD2 4.36Å; Y16-Q84 HydrophobicContact CE1-CB 4.2Å; Y16-Q84 HydrophobicContact CE1-CG 3.76Å; Y16-T87 HydrophobicContact CD1-CG2 3.68Å; Y16-T87 HydrophobicContact CE1-CG2 3.92Å
17S93.5Very high82.2Confident60 Ų6073.5 Ų73.542%0.4243%0.434SS..EExtended strand (participates in β ladder)trans-92.7139.117651.90000111.1E19 N83S17-E19 PolarHBondContact O-N 2.84Å; S17-N83 PolarHBondContact O-ND2 3.44Å
18C94.5Very high84.2Confident10 Ų1076.1 Ų76.17%0.06844%0.441CS..PPolyproline II helixtrans-64.7133.9169.9-168.20000110.5W20 C23 N25 L33C18-W20 VanDerWaalsContact SG-CB 3.6Å; C18-C23 HydrophobicContact CB-CB 4.11Å; C18-C23 VanDerWaalsContact CB-SG 3.58Å; C18-N25 PolarHBondContact N-O 2.84Å; C18-L33 HydrophobicContact CB-CD1 4.23Å
19E91.3Very high86Confident62 Ų6276 Ų7629%0.2944%0.441SS..  trans-96.66177.5-63.2-173.8146.600112.8S17 I59 K86S17-E19 PolarHBondContact O-N 2.84Å; E19-I59 HydrophobicContact CB-CG2 4.39Å; E19-K86 WeakPolarHBondContact OE1-CE 3.49Å; E19-K86 IonicContact OE1-NZ 2.86Å; E19-K86 PolarHBondContact OE1-NZ 3.47Å; E19-K86 WeakPolarHBondContact OE2-CE 3.34Å; E19-K86 IonicContact OE2-NZ 3.16Å; E19-K86 PolarHBondContact OE2-NZ 3.4Å
20W92Very high87.6Confident34 Ų3475.8 Ų75.813%0.12944%0.438CS..SBendtrans-69.1139.2176-162.2-90.8000110.4C18 N22 C23 H40 F41 L44 G58 I59C18-W20 VanDerWaalsContact SG-CB 3.6Å; W20-N22 PolarHBondContact O-N 3.47Å; W20-C23 HydrophobicContact CB-CB 4.01Å; W20-C23 WeakPolarHBondContact O-CB 3.1Å; W20-C23 PolarHBondContact O-N 3.27Å; W20-C23 VanDerWaalsContact O-N 3.08Å; W20-H40 AromaticContact CD1-CE1 3.8Å; W20-H40 AromaticContact CD1-CG 3.77Å; W20-H40 AromaticContact CD1-ND1 3.38Å; W20-H40 HydrophobicContact CD2-CB 3.61Å; W20-H40 AromaticContact CD2-CG 3.78Å; W20-H40 HydrophobicContact CE3-CB 3.86Å; W20-H40 HydrophobicContact CG-CB 4.03Å; W20-H40 AromaticContact CG-CD2 3.93Å; W20-H40 AromaticContact CG-CG 3.63Å; W20-H40 AromaticContact CG-ND1 3.73Å; W20-H40 HydrophobicContact CH2-CB 4.23Å; W20-H40 HydrophobicContact CZ2-CB 3.99Å; W20-H40 HydrophobicContact CZ3-CB 4.18Å; W20-H40 AromaticContact NE1-CG 3.99Å; W20-H40 AromaticContact NE1-ND1 3.65Å; W20-F41 HydrophobicContact CE3-CE2 4.27Å; W20-F41 HydrophobicContact CH2-CD1 4.29Å; W20-F41 HydrophobicContact CH2-CD2 4.45Å; W20-F41 HydrophobicContact CH2-CE1 4.22Å; W20-F41 HydrophobicContact CH2-CE2 4.39Å; W20-F41 HydrophobicContact CH2-CG 4.4Å; W20-F41 HydrophobicContact CH2-CZ 4.28Å; W20-F41 HydrophobicContact CZ3-CD1 4.32Å; W20-F41 AromaticContact CZ3-CD2 3.95Å; W20-F41 HydrophobicContact CZ3-CD2 3.95Å; W20-F41 AromaticContact CZ3-CE1 3.96Å; W20-F41 HydrophobicContact CZ3-CE1 3.96Å; W20-F41 AromaticContact CZ3-CE2 3.55Å; W20-F41 HydrophobicContact CZ3-CE2 3.55Å; W20-F41 HydrophobicContact CZ3-CG 4.31Å; W20-F41 AromaticContact CZ3-CZ 3.56Å; W20-F41 HydrophobicContact CZ3-CZ 3.56Å; W20-L44 HydrophobicContact CH2-CD2 4.22Å; W20-L44 HydrophobicContact CZ2-CD2 4.35Å; W20-G58 VanDerWaalsContact CH2-N 3.34Å; W20-I59 HydrophobicContact CE3-CD1 3.94Å; W20-I59 HydrophobicContact CE3-CG1 3.73Å; W20-I59 HydrophobicContact CZ3-CD1 4.49Å; W20-I59 HydrophobicContact CZ3-CG1 4.31Å
21P90.2Very high89.3Confident68 Ų6873.9 Ų73.944%0.44242%0.42SS..THydrogen-bonded Turntrans-52.8136.6178.6-26.934.6000112C23 G58P21-C23 PolarHBondContact O-N 3.18Å; P21-C23 VanDerWaalsContact O-N 3.09Å; P21-G58 VanDerWaalsContact CD-O 3.27Å; P21-G58 WeakPolarHBondContact CD-O 3.42Å; P21-G58 VanDerWaalsContact CG-O 3.22Å; P21-G58 WeakPolarHBondContact CG-O 3.37Å
22N90Very high90.6Very high171 Ų17174.7 Ų74.791%0.91441%0.405SS*.THydrogen-bonded Turntrans61.79.6-179.4-50.3-39.5000115.6W20W20-N22 PolarHBondContact O-N 3.47Å
23C94Very high91.7Very high21 Ų2173 Ų7314%0.14240%0.396CS..  trans-95.7124173.7-170.60000111C18 W20 P21 H36 H40C18-C23 HydrophobicContact CB-CB 4.11Å; C18-C23 VanDerWaalsContact CB-SG 3.58Å; W20-C23 HydrophobicContact CB-CB 4.01Å; W20-C23 WeakPolarHBondContact O-CB 3.1Å; W20-C23 PolarHBondContact O-N 3.27Å; W20-C23 VanDerWaalsContact O-N 3.08Å; P21-C23 PolarHBondContact O-N 3.18Å; P21-C23 VanDerWaalsContact O-N 3.09Å; C23-H36 PolarHBondContact SG-NE2 3.14Å; C23-H40 PolarHBondContact SG-NE2 3.11Å; C23-H40 VanDerWaalsContact SG-NE2 3.45Å
24C92.7Very high92.3Very high119 Ų11964.1 Ų64.180%0.80436%0.358SS*.  trans-106.59.8178.6-62.30000113.4
25N95.6Very high92.5Very high75 Ų7569.5 Ų69.540%0.40138%0.377SS..  trans-69.9138.9-175.7-69.1-26.8000111.7C18 Y27 H36C18-N25 PolarHBondContact N-O 2.84Å; N25-Y27 HydrophobicContact CB-CE2 3.71Å; N25-H36 PolarHBondContact ND2-CE1 3.45Å; N25-H36 PolarHBondContact ND2-NE2 2.84Å
26T94.4Very high92.7Very high93 Ų9367.4 Ų67.457%0.57136%0.359SS*.EExtended strand (participates in β ladder)trans-128145.4175.559.30000110.2Y16Y16-T26 CarbonylContact O-C 3.53Å; Y16-T26 VanDerWaalsContact O-CA 3.28Å; Y16-T26 WeakPolarHBondContact O-CA 3.28Å
27Y94.1Very high92.7Very high52 Ų5266.7 Ų66.720%0.20436%0.356CS..EExtended strand (participates in β ladder)trans-135.4146-175.6-61-83.7000110.9S15 Y16 N25 N29 L32 L33 H36S15-Y27 CarbonylContact C-O 3.53Å; Y16-Y27 WeakPolarHBondContact CD2-O 3.32Å; Y16-Y27 PolarHBondContact N-O 3.22Å; Y16-Y27 PolarHBondContact O-N 3.49Å; N25-Y27 HydrophobicContact CB-CE2 3.71Å; Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-L32 HydrophobicContact CD1-CB 3.55Å; Y27-L32 HydrophobicContact CD1-CD1 4.27Å; Y27-L32 HydrophobicContact CE1-CB 4.2Å; Y27-L32 HydrophobicContact CG-CB 4.03Å; Y27-L33 HydrophobicContact CD2-CB 4.04Å; Y27-L33 HydrophobicContact CD2-CD1 4.06Å; Y27-L33 HydrophobicContact CE2-CD1 4.46Å; Y27-L33 HydrophobicContact CG-CB 4.45Å; Y27-H36 HydrophobicContact CE2-CB 3.73Å; Y27-H36 AromaticContact CE2-CD2 3.57Å; Y27-H36 AromaticContact CE2-CG 3.65Å; Y27-H36 AromaticContact CZ-CG 3.67Å; Y27-H36 WeakPolarHBondContact OH-CB 3.31Å; Y27-H36 PolarHBondContact OH-ND1 3.4Å
28N90.9Very high92.7Very high139 Ų13964 Ų6474%0.74334%0.337SS*.SBendtrans-93.13.1173.9-62-25.7000112.7
29N89.5Confident92.6Very high75 Ų7566.9 Ų66.940%0.40135%0.35SS..SBendtrans-134.5128.2-177.2-174.4-43.7000109.3Y27 N31 L32 L33Y27-N29 VanDerWaalsContact C-N 3.34Å; N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 3.42Å; N29-N31 WeakPolarHBondContact OD1-CB 3.44Å; N29-N31 PolarHBondContact OD1-N 2.88Å; N29-L32 HydrophobicContact CB-CB 4.34Å; N29-L32 HydrophobicContact CB-CD1 3.96Å; N29-L32 HydrophobicContact CB-CG 3.96Å; N29-L32 PolarHBondContact O-N 3.27Å; N29-L33 PolarHBondContact O-N 2.84Å
30E88.9Confident92.7Very high74 Ų7465.3 Ų65.335%0.34634%0.342SS..Hα-helixtrans-59.3-35.7-179.665.8-168.4-161.500113Y16 L33 K34 Q84Y16-E30 HydrophobicContact CE2-CB 4.29Å; E30-L33 PolarHBondContact O-N 3.33Å; E30-K34 WeakPolarHBondContact O-CB 3.34Å; E30-K34 PolarHBondContact O-N 3.06Å; E30-Q84 PolarHBondContact OE2-NE2 3.47Å; E30-Q84 PolarHBondContact OE2-OE1 3.41Å
31N91.9Very high92.6Very high63 Ų6363.7 Ų63.734%0.33734%0.336SS..Hα-helixtrans-71.1-35.3179.8-69.5-59.5000111.5N29 K34 Y35N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 3.42Å; N29-N31 WeakPolarHBondContact OD1-CB 3.44Å; N29-N31 PolarHBondContact OD1-N 2.88Å; N31-K34 WeakPolarHBondContact O-CB 3.31Å; N31-K34 PolarHBondContact O-N 3.14Å; N31-K34 PolarHBondContact OD1-NZ 3.09Å; N31-Y35 HydrophobicContact CB-CE2 4.33Å; N31-Y35 WeakPolarHBondContact O-CD2 3.19Å; N31-Y35 PolarHBondContact O-N 3.33Å
32L93.6Very high92.5Very high97 Ų9766.1 Ų66.151%0.50834%0.336SS..Hα-helixtrans-66.2-43.2175.8-65179.7000111.3Y27 N29 K34 H36Y27-L32 HydrophobicContact CD1-CB 3.55Å; Y27-L32 HydrophobicContact CD1-CD1 4.27Å; Y27-L32 HydrophobicContact CE1-CB 4.2Å; Y27-L32 HydrophobicContact CG-CB 4.03Å; N29-L32 HydrophobicContact CB-CB 4.34Å; N29-L32 HydrophobicContact CB-CD1 3.96Å; N29-L32 HydrophobicContact CB-CG 3.96Å; N29-L32 PolarHBondContact O-N 3.27Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.1Å; L32-H36 VanDerWaalsContact O-CB 3.27Å; L32-H36 WeakPolarHBondContact O-CB 3.48Å; L32-H36 PolarHBondContact O-N 3.38Å
33L93Very high92.5Very high1 Ų162.1 Ų62.11%0.00531%0.312CS..Hα-helixtrans-59-44.9172.417467.3000110.9Y16 C18 Y27 N29 E30 H36 Q37 N83Y16-L33 HydrophobicContact CG-CD2 4.36Å; C18-L33 HydrophobicContact CB-CD1 4.23Å; Y27-L33 HydrophobicContact CD2-CB 4.04Å; Y27-L33 HydrophobicContact CD2-CD1 4.06Å; Y27-L33 HydrophobicContact CE2-CD1 4.46Å; Y27-L33 HydrophobicContact CG-CB 4.45Å; N29-L33 PolarHBondContact O-N 2.84Å; E30-L33 PolarHBondContact O-N 3.33Å; L33-H36 PolarHBondContact O-N 3.07Å; L33-Q37 HydrophobicContact CD1-CG 4Å; L33-Q37 HydrophobicContact CG-CG 4.4Å; L33-Q37 WeakPolarHBondContact O-CG 3.25Å; L33-Q37 PolarHBondContact O-N 3.12Å; L33-N83 HydrophobicContact CD2-CB 4.36Å; L33-N83 VanDerWaalsContact CD2-ND2 3.32Å; L33-N83 WeakPolarHBondContact CD2-ND2 3.3Å
34K93.9Very high92.2Very high15 Ų1562.5 Ų62.57%0.06531%0.313CS..Hα-helixtrans-57.8-51.3-179.1-176.2179.670.6-171.10112.6E30 N31 L32 H36 Q37 L38 F77 S80 D131E30-K34 WeakPolarHBondContact O-CB 3.34Å; E30-K34 PolarHBondContact O-N 3.06Å; N31-K34 WeakPolarHBondContact O-CB 3.31Å; N31-K34 PolarHBondContact O-N 3.14Å; N31-K34 PolarHBondContact OD1-NZ 3.09Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.1Å; K34-H36 VanDerWaalsContact C-N 3.34Å; K34-Q37 PolarHBondContact O-N 3.39Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-F77 HydrophobicContact CD-CD1 3.67Å; K34-F77 HydrophobicContact CD-CE1 4.04Å; K34-F77 HydrophobicContact CD-CG 4.29Å; K34-F77 HydrophobicContact CG-CD1 3.38Å; K34-F77 HydrophobicContact CG-CE1 3.76Å; K34-F77 HydrophobicContact CG-CG 4.36Å; K34-S80 WeakPolarHBondContact CA-OG 3.34Å; K34-D131 WeakPolarHBondContact CD-OD2 3.46Å; K34-D131 WeakPolarHBondContact CE-OD2 3.14Å; K34-D131 IonicContact NZ-OD2 3.81Å; K34-D131 PolarHBondContact NZ-OD2 3.4Å
35Y94Very high91.6Very high141 Ų14158.6 Ų58.655%0.55329%0.286SS*.Hα-helixtrans-68.9-33.5178.2-67.6-62.1000112.5N31 L38 Q39N31-Y35 HydrophobicContact CB-CE2 4.33Å; N31-Y35 WeakPolarHBondContact O-CD2 3.19Å; N31-Y35 PolarHBondContact O-N 3.33Å; Y35-L38 PolarHBondContact O-N 3.24Å; Y35-Q39 PolarHBondContact O-N 2.82Å; Y35-Q39 VanDerWaalsContact O-N 3.1Å
36H95.3Very high91Very high31 Ų3162.3 Ų62.314%0.14430%0.301CS..Hα-helixtrans-64.3-43.7173.117358.7000112.4C23 N25 Y27 L32 L33 K34 L38 Q39 H40C23-H36 PolarHBondContact SG-NE2 3.14Å; N25-H36 PolarHBondContact ND2-CE1 3.45Å; N25-H36 PolarHBondContact ND2-NE2 2.84Å; Y27-H36 HydrophobicContact CE2-CB 3.73Å; Y27-H36 AromaticContact CE2-CD2 3.57Å; Y27-H36 AromaticContact CE2-CG 3.65Å; Y27-H36 AromaticContact CZ-CG 3.67Å; Y27-H36 WeakPolarHBondContact OH-CB 3.31Å; Y27-H36 PolarHBondContact OH-ND1 3.4Å; L32-H36 VanDerWaalsContact O-CB 3.27Å; L32-H36 WeakPolarHBondContact O-CB 3.48Å; L32-H36 PolarHBondContact O-N 3.38Å; L33-H36 PolarHBondContact O-N 3.07Å; K34-H36 VanDerWaalsContact C-N 3.34Å; H36-L38 VanDerWaalsContact C-N 3.33Å; H36-L38 PolarHBondContact O-N 2.69Å; H36-Q39 VanDerWaalsContact O-CB 3.31Å; H36-Q39 WeakPolarHBondContact O-CB 3.25Å; H36-Q39 PolarHBondContact O-N 2.81Å; H36-Q39 VanDerWaalsContact O-N 3.17Å; H36-H40 AromaticContact CE1-CD2 3.78Å; H36-H40 AromaticContact CE1-NE2 3.16Å; H36-H40 PolarHBondContact CE1-NE2 3.39Å; H36-H40 AromaticContact NE2-CD2 3.63Å; H36-H40 AromaticContact NE2-NE2 3.01Å; H36-H40 PolarHBondContact NE2-NE2 3.23Å; H36-H40 PolarHBondContact O-N 3.39Å
37Q93.1Very high90.3Very high0 Ų063.8 Ų63.80%030%0.302CS..Hα-helixtrans-63.3-42.1176.3-76.9-178.3-48.300111L33 K34 Q39 H40 F41 S80L33-Q37 HydrophobicContact CD1-CG 4Å; L33-Q37 HydrophobicContact CG-CG 4.4Å; L33-Q37 WeakPolarHBondContact O-CG 3.25Å; L33-Q37 PolarHBondContact O-N 3.12Å; K34-Q37 PolarHBondContact O-N 3.39Å; Q37-Q39 PolarHBondContact O-N 2.89Å; Q37-H40 WeakPolarHBondContact O-CB 3.33Å; Q37-H40 PolarHBondContact O-N 2.87Å; Q37-H40 VanDerWaalsContact O-N 3.16Å; Q37-F41 WeakPolarHBondContact O-CD2 3.41Å; Q37-S80 PolarHBondContact OE1-OG 3.12Å
38L92.9Very high89.2Confident4 Ų466.5 Ų66.52%0.02133%0.326CS..Hα-helixtrans-57.8-34.1174.5-17761000112.6K34 Y35 H36 H40 F41 R42 E73 S76 F77K34-L38 PolarHBondContact O-N 3.4Å; Y35-L38 PolarHBondContact O-N 3.24Å; H36-L38 VanDerWaalsContact C-N 3.33Å; H36-L38 PolarHBondContact O-N 2.69Å; L38-H40 PolarHBondContact O-N 3.41Å; L38-F41 PolarHBondContact O-N 3.47Å; L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.39Å; L38-E73 HydrophobicContact CD1-CG 4.06Å; L38-S76 WeakPolarHBondContact CA-OG 3.45Å; L38-S76 PolarHBondContact N-OG 3.29Å; L38-F77 HydrophobicContact CB-CE1 4.45Å; L38-F77 HydrophobicContact CD2-CE1 3.91Å; L38-F77 HydrophobicContact CD2-CZ 3.97Å
39Q93.6Very high88Confident70 Ų7064.8 Ų64.833%0.32732%0.324SS..Hα-helixtrans-61.7-41177.1-175.658.228.200112.5Y35 H36 Q37 F41 R42 E43Y35-Q39 PolarHBondContact O-N 2.82Å; Y35-Q39 VanDerWaalsContact O-N 3.1Å; H36-Q39 VanDerWaalsContact O-CB 3.31Å; H36-Q39 WeakPolarHBondContact O-CB 3.25Å; H36-Q39 PolarHBondContact O-N 2.81Å; H36-Q39 VanDerWaalsContact O-N 3.17Å; Q37-Q39 PolarHBondContact O-N 2.89Å; Q39-F41 VanDerWaalsContact C-N 3.27Å; Q39-F41 PolarHBondContact O-N 2.69Å; Q39-R42 PolarHBondContact O-N 3.49Å; Q39-R42 VanDerWaalsContact O-N 3.14Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.32Å; Q39-E43 PolarHBondContact NE2-OE1 2.94Å; Q39-E43 WeakPolarHBondContact O-CG 3.26Å; Q39-E43 PolarHBondContact O-N 3.32Å
40H93.9Very high86.6Confident28 Ų2870 Ų7013%0.1335%0.347CS..Hα-helixtrans-59.2-38.7174.2-74-71.7000112.5W20 C23 H36 Q37 L38 L44W20-H40 AromaticContact CD1-CE1 3.8Å; W20-H40 AromaticContact CD1-CG 3.77Å; W20-H40 AromaticContact CD1-ND1 3.38Å; W20-H40 HydrophobicContact CD2-CB 3.61Å; W20-H40 AromaticContact CD2-CG 3.78Å; W20-H40 HydrophobicContact CE3-CB 3.86Å; W20-H40 HydrophobicContact CG-CB 4.03Å; W20-H40 AromaticContact CG-CD2 3.93Å; W20-H40 AromaticContact CG-CG 3.63Å; W20-H40 AromaticContact CG-ND1 3.73Å; W20-H40 HydrophobicContact CH2-CB 4.23Å; W20-H40 HydrophobicContact CZ2-CB 3.99Å; W20-H40 HydrophobicContact CZ3-CB 4.18Å; W20-H40 AromaticContact NE1-CG 3.99Å; W20-H40 AromaticContact NE1-ND1 3.65Å; C23-H40 PolarHBondContact SG-NE2 3.11Å; C23-H40 VanDerWaalsContact SG-NE2 3.45Å; H36-H40 AromaticContact CE1-CD2 3.78Å; H36-H40 AromaticContact CE1-NE2 3.16Å; H36-H40 PolarHBondContact CE1-NE2 3.39Å; H36-H40 AromaticContact NE2-CD2 3.63Å; H36-H40 AromaticContact NE2-NE2 3.01Å; H36-H40 PolarHBondContact NE2-NE2 3.23Å; H36-H40 PolarHBondContact O-N 3.39Å; Q37-H40 WeakPolarHBondContact O-CB 3.33Å; Q37-H40 PolarHBondContact O-N 2.87Å; Q37-H40 VanDerWaalsContact O-N 3.16Å; L38-H40 PolarHBondContact O-N 3.41Å; H40-L44 WeakPolarHBondContact O-CB 3.45Å; H40-L44 PolarHBondContact O-N 3.4Å
41F89.5Confident85.5Confident1 Ų169.2 Ų69.20%0.00436%0.358CS..Hα-helixtrans-68.7-37.7176.8-73.1-90.9000112.1W20 Q37 L38 Q39 L44 C45 C57 L64 I72 H75 S76W20-F41 HydrophobicContact CE3-CE2 4.27Å; W20-F41 HydrophobicContact CH2-CD1 4.29Å; W20-F41 HydrophobicContact CH2-CD2 4.45Å; W20-F41 HydrophobicContact CH2-CE1 4.22Å; W20-F41 HydrophobicContact CH2-CE2 4.39Å; W20-F41 HydrophobicContact CH2-CG 4.4Å; W20-F41 HydrophobicContact CH2-CZ 4.28Å; W20-F41 HydrophobicContact CZ3-CD1 4.32Å; W20-F41 AromaticContact CZ3-CD2 3.95Å; W20-F41 HydrophobicContact CZ3-CD2 3.95Å; W20-F41 AromaticContact CZ3-CE1 3.96Å; W20-F41 HydrophobicContact CZ3-CE1 3.96Å; W20-F41 AromaticContact CZ3-CE2 3.55Å; W20-F41 HydrophobicContact CZ3-CE2 3.55Å; W20-F41 HydrophobicContact CZ3-CG 4.31Å; W20-F41 AromaticContact CZ3-CZ 3.56Å; W20-F41 HydrophobicContact CZ3-CZ 3.56Å; Q37-F41 WeakPolarHBondContact O-CD2 3.41Å; L38-F41 PolarHBondContact O-N 3.47Å; Q39-F41 VanDerWaalsContact C-N 3.27Å; Q39-F41 PolarHBondContact O-N 2.69Å; F41-L44 PolarHBondContact O-N 2.82Å; F41-C45 PolarHBondContact O-N 3.16Å; F41-C45 VanDerWaalsContact O-N 3.14Å; F41-C45 PolarHBondContact O-SG 3.4Å; F41-C57 HydrophobicContact CE1-CB 4.07Å; F41-C57 HydrophobicContact CZ-CB 4.47Å; F41-L64 HydrophobicContact CD1-CD1 3.64Å; F41-L64 HydrophobicContact CD1-CD2 4.49Å; F41-L64 HydrophobicContact CE1-CD1 3.77Å; F41-L64 HydrophobicContact CE1-CD2 4.19Å; F41-I72 HydrophobicContact CB-CG2 3.68Å; F41-I72 HydrophobicContact CD1-CG2 4.02Å; F41-I72 HydrophobicContact CG-CG2 4.11Å; F41-H75 AromaticContact CE1-CD2 3.49Å; F41-H75 VanDerWaalsContact CE1-CD2 3.49Å; F41-H75 WeakPolarHBondContact CE1-CD2 3.43Å; F41-H75 AromaticContact CZ-CD2 3.58Å; F41-S76 WeakPolarHBondContact CD2-OG 3.36Å; F41-S76 VanDerWaalsContact CE2-OG 3.28Å; F41-S76 WeakPolarHBondContact CE2-OG 3.36Å
42R88.7Confident84.4Confident118 Ų11872.7 Ų72.745%0.44539%0.387SS..Hα-helixtrans-65.1-47.4176.5-70.8174.6177.9174.8-3.2111.2L38 Q39 L44 C45 E46L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.39Å; Q39-R42 PolarHBondContact O-N 3.49Å; Q39-R42 VanDerWaalsContact O-N 3.14Å; R42-L44 VanDerWaalsContact C-N 3.27Å; R42-L44 PolarHBondContact O-N 2.82Å; R42-C45 WeakPolarHBondContact O-CB 3.32Å; R42-C45 PolarHBondContact O-N 3.09Å; R42-E46 WeakPolarHBondContact O-CG 3.27Å; R42-E46 PolarHBondContact O-N 2.93Å; R42-E46 VanDerWaalsContact O-N 3.1Å
43E89.5Confident83.5Confident88 Ų8878.1 Ų78.141%0.41140%0.401SS..Hα-helixtrans-58.8-40175.9-72.3168.5-167.400111.8Q39 C45 E46 Q47Q39-E43 WeakPolarHBondContact CG-OE1 3.32Å; Q39-E43 PolarHBondContact NE2-OE1 2.94Å; Q39-E43 WeakPolarHBondContact O-CG 3.26Å; Q39-E43 PolarHBondContact O-N 3.32Å; E43-C45 VanDerWaalsContact C-N 3.28Å; E43-C45 PolarHBondContact O-N 3.15Å; E43-E46 PolarHBondContact O-N 3.16Å; E43-Q47 WeakPolarHBondContact O-CG 3.31Å; E43-Q47 PolarHBondContact O-N 2.92Å
44L86.2Confident82.9Confident28 Ų2882.5 Ų82.515%0.14742%0.424CS..Hα-helixtrans-63.3-33.2175.2-175.766.4000112.8W20 H40 F41 R42 E46 P55 V56 L64W20-L44 HydrophobicContact CH2-CD2 4.22Å; W20-L44 HydrophobicContact CZ2-CD2 4.35Å; H40-L44 WeakPolarHBondContact O-CB 3.45Å; H40-L44 PolarHBondContact O-N 3.4Å; F41-L44 PolarHBondContact O-N 2.82Å; R42-L44 VanDerWaalsContact C-N 3.27Å; R42-L44 PolarHBondContact O-N 2.82Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-P55 HydrophobicContact CD1-CB 4.07Å; L44-P55 HydrophobicContact CD2-CB 3.88Å; L44-P55 HydrophobicContact CG-CB 3.74Å; L44-V56 WeakPolarHBondContact CD2-O 3.25Å; L44-L64 HydrophobicContact CD2-CD1 3.78Å
45C80.5Confident82.5Confident37 Ų3782.9 Ų82.925%0.2543%0.428CS..Hα-helixtrans-76.5-22.4176.6-64.80000113F41 R42 E43 I66F41-C45 PolarHBondContact O-N 3.16Å; F41-C45 VanDerWaalsContact O-N 3.14Å; F41-C45 PolarHBondContact O-SG 3.4Å; R42-C45 WeakPolarHBondContact O-CB 3.32Å; R42-C45 PolarHBondContact O-N 3.09Å; E43-C45 VanDerWaalsContact C-N 3.28Å; E43-C45 PolarHBondContact O-N 3.15Å; C45-I66 HydrophobicContact CB-CG2 3.91Å
46E83.2Confident82.2Confident154 Ų15478.6 Ų78.672%0.7242%0.417SS*.Hα-helixtrans-85.9-14177.5-69.8173.6-174.600113R42 E43 L44R42-E46 WeakPolarHBondContact O-CG 3.27Å; R42-E46 PolarHBondContact O-N 2.93Å; R42-E46 VanDerWaalsContact O-N 3.1Å; E43-E46 PolarHBondContact O-N 3.16Å; L44-E46 VanDerWaalsContact C-N 3.34Å
47Q80.7Confident82Confident124 Ų12477.1 Ų77.158%0.57941%0.41SS*.SBendtrans-63.9138.2177.4-72.6-178.510.400111.3E43 S49E43-Q47 WeakPolarHBondContact O-CG 3.31Å; E43-Q47 PolarHBondContact O-N 2.92Å; Q47-S49 PolarHBondContact O-N 2.96Å
48P70.7Confident81.8Confident109 Ų10978.6 Ų78.671%0.70842%0.424SS*.  trans-60.8126.5178.323.4-31.7000109.9Q50P48-Q50 PolarHBondContact O-N 3.17Å
49S66.1Low81.6Confident102 Ų10279 Ų7971%0.71343%0.426SS*.  trans-55.3100.3-180-50.80000110.8Q47 G51Q47-S49 PolarHBondContact O-N 2.96Å; S49-G51 PolarHBondContact O-N 3.01Å
50Q59.9Low81.4Confident185 Ų18576.6 Ų76.686%0.86442%0.417SS*.  trans-77.576.9170.4-69.8-176.84.100108.7P48P48-Q50 PolarHBondContact O-N 3.17Å
51G66.3Low81.1Confident57 Ų5780.9 Ų80.959%0.58844%0.441SS*.SBendtrans79.6-165.3177.400000115.2S49 R53S49-G51 PolarHBondContact O-N 3.01Å; G51-R53 PolarHBondContact O-N 3.44Å
52S68.2Low81Confident136 Ų13682.7 Ų82.795%0.95146%0.456SS*.SBendtrans-80.511.9-170.836.70000115.1
53R74.5Confident81Confident212 Ų21281.2 Ų81.280%0.846%0.464SS*.PPolyproline II helixtrans-92.5121-179.7-166.4174.5-176.5177.90.8110.2G51G51-R53 PolarHBondContact O-N 3.44Å
54L80.3Confident80.8Confident93 Ų9377.4 Ų77.449%0.48745%0.446SS..PPolyproline II helixtrans-59.8141.9172.8-68171.6000110.5
55P84.9Confident80.8Confident23 Ų2379.7 Ų79.715%0.14946%0.459CS..PPolyproline II helixtrans-62.2154.7173.828-35.1000110.6L44 L64 I66L44-P55 HydrophobicContact CD1-CB 4.07Å; L44-P55 HydrophobicContact CD2-CB 3.88Å; L44-P55 HydrophobicContact CG-CB 3.74Å; P55-L64 HydrophobicContact CG-CB 4.29Å; P55-L64 PolarHBondContact O-N 2.73Å; P55-I66 HydrophobicContact CG-CD1 3.6Å; P55-I66 HydrophobicContact CG-CG1 3.41Å; P55-I66 VanDerWaalsContact CG-CG1 3.41Å
56V89.3Confident80.9Confident51 Ų5181 Ų8131%0.30946%0.463SS..BIsolated β-bridgetrans-120.1143.8-178.6-640000111L44 G58 A62L44-V56 WeakPolarHBondContact CD2-O 3.25Å; V56-G58 PolarHBondContact O-N 3.01Å; V56-A62 CarbonylContact C-O 3.29Å; V56-A62 VanDerWaalsContact CA-O 3.25Å; V56-A62 WeakPolarHBondContact CA-O 3.11Å
57C90.3Very high81Confident0 Ų079.4 Ų79.40%046%0.464CS..  trans-61.8126.2173.9173.90000110.6F41 I59 C60 N61 A62 L64 H75 H79F41-C57 HydrophobicContact CE1-CB 4.07Å; F41-C57 HydrophobicContact CZ-CB 4.47Å; C57-I59 PolarHBondContact O-N 3.38Å; C57-I59 VanDerWaalsContact O-N 3.15Å; C57-I59 PolarHBondContact SG-N 3.18Å; C57-I59 VanDerWaalsContact SG-N 3.38Å; C57-C60 VanDerWaalsContact SG-SG 3.61Å; C57-N61 WeakPolarHBondContact O-CA 3.39Å; C57-N61 PolarHBondContact O-N 3.18Å; C57-A62 PolarHBondContact N-O 3.35Å; C57-L64 HydrophobicContact CB-CD1 4.17Å; C57-L64 HydrophobicContact CB-CD2 4.36Å; C57-L64 HydrophobicContact CB-CG 4.36Å; C57-H75 WeakPolarHBondContact CB-NE2 3.36Å; C57-H75 PolarHBondContact SG-NE2 3.32Å; C57-H79 PolarHBondContact SG-NE2 3.01Å; C57-H79 VanDerWaalsContact SG-NE2 3.41Å
58G88.7Confident81.4Confident30 Ų3076.4 Ų76.431%0.30945%0.452SS..THydrogen-bonded Turntrans-64.7-17.8178.900000114.6W20 P21 V56W20-G58 VanDerWaalsContact CH2-N 3.34Å; P21-G58 VanDerWaalsContact CD-O 3.27Å; P21-G58 WeakPolarHBondContact CD-O 3.42Å; P21-G58 VanDerWaalsContact CG-O 3.22Å; P21-G58 WeakPolarHBondContact CG-O 3.37Å; V56-G58 PolarHBondContact O-N 3.01Å
59I89.5Confident82.3Confident12 Ų1277 Ų776%0.06245%0.448CS..THydrogen-bonded Turntrans-93.6-40.9-175.2-54.2171.1000112E19 W20 C57 H79 N109E19-I59 HydrophobicContact CB-CG2 4.39Å; W20-I59 HydrophobicContact CE3-CD1 3.94Å; W20-I59 HydrophobicContact CE3-CG1 3.73Å; W20-I59 HydrophobicContact CZ3-CD1 4.49Å; W20-I59 HydrophobicContact CZ3-CG1 4.31Å; C57-I59 PolarHBondContact O-N 3.38Å; C57-I59 VanDerWaalsContact O-N 3.15Å; C57-I59 PolarHBondContact SG-N 3.18Å; C57-I59 VanDerWaalsContact SG-N 3.38Å; I59-H79 HydrophobicContact CD1-CB 3.96Å; I59-H79 VanDerWaalsContact CG2-CE1 3.44Å; I59-H79 WeakPolarHBondContact CG2-CE1 3.41Å; I59-H79 WeakPolarHBondContact CG2-ND1 3.3Å; I59-N109 HydrophobicContact CG2-CB 4.03Å; I59-N109 VanDerWaalsContact O-CB 3.32Å; I59-N109 WeakPolarHBondContact O-CB 3.44Å; I59-N109 PolarHBondContact O-ND2 2.81Å; I59-N109 VanDerWaalsContact O-ND2 3.09Å
60C88.7Confident83.4Confident20 Ų2075 Ų7514%0.13543%0.429CS..THydrogen-bonded Turntrans-122.2-2.8-176.568.80000115.4C57 A62 H75 H79 N109C57-C60 VanDerWaalsContact SG-SG 3.61Å; C60-A62 PolarHBondContact O-N 3.08Å; C60-A62 VanDerWaalsContact SG-CB 3.53Å; C60-H75 PolarHBondContact SG-CE1 3.42Å; C60-H75 PolarHBondContact SG-NE2 2.99Å; C60-H75 VanDerWaalsContact SG-NE2 3.41Å; C60-H79 PolarHBondContact SG-NE2 3Å; C60-H79 VanDerWaalsContact SG-NE2 3.37Å; C60-N109 HydrophobicContact CB-CB 4.34Å; C60-N109 WeakPolarHBondContact CB-O 3.37Å
61N88.6Confident84.8Confident118 Ų11866.9 Ų66.963%0.63140%0.395SS*.  trans62.714.3-179-156.854.1000115.3C57C57-N61 WeakPolarHBondContact O-CA 3.39Å; C57-N61 PolarHBondContact O-N 3.18Å
62A86.8Confident86Confident39 Ų3964.8 Ų64.832%0.32237%0.37SS..  trans-67.1142.1173.700000111.1V56 C57 C60V56-A62 CarbonylContact C-O 3.29Å; V56-A62 VanDerWaalsContact CA-O 3.25Å; V56-A62 WeakPolarHBondContact CA-O 3.11Å; C57-A62 PolarHBondContact N-O 3.35Å; C60-A62 PolarHBondContact O-N 3.08Å; C60-A62 VanDerWaalsContact SG-CB 3.53Å
63S87.7Confident87.1Confident87 Ų8760.6 Ų60.661%0.60834%0.336SS*.BIsolated β-bridgetrans-66.4136.4172510000110.7
64L85.6Confident87.9Confident8 Ų850.9 Ų50.94%0.04230%0.299CS..  trans-112126.8-179.5-60.8170.7000109.1F41 L44 P55 C57 I66F41-L64 HydrophobicContact CD1-CD1 3.64Å; F41-L64 HydrophobicContact CD1-CD2 4.49Å; F41-L64 HydrophobicContact CE1-CD1 3.77Å; F41-L64 HydrophobicContact CE1-CD2 4.19Å; L44-L64 HydrophobicContact CD2-CD1 3.78Å; P55-L64 HydrophobicContact CG-CB 4.29Å; P55-L64 PolarHBondContact O-N 2.73Å; C57-L64 HydrophobicContact CB-CD1 4.17Å; C57-L64 HydrophobicContact CB-CD2 4.36Å; C57-L64 HydrophobicContact CB-CG 4.36Å; L64-I66 PolarHBondContact O-N 3.02Å
65N85.8Confident88.4Confident77 Ų7747.8 Ų47.841%0.41228%0.282SS..  trans-82.3106169.3-179.96.1000109.2T67 D68 I72N65-T67 PolarHBondContact ND2-OG1 3.04Å; N65-T67 PolarHBondContact O-N 2.79Å; N65-T67 VanDerWaalsContact O-N 3.13Å; N65-T67 PolarHBondContact OD1-N 2.9Å; N65-T67 PolarHBondContact OD1-OG1 3.38Å; N65-D68 HydrophobicContact CB-CB 4.19Å; N65-D68 PolarHBondContact O-N 2.89Å; N65-I72 WeakPolarHBondContact O-CD1 3.22Å
66I84.1Confident88.7Confident63 Ų6346.7 Ų46.732%0.32328%0.275SS..THydrogen-bonded Turntrans-56.9-29.2179.5-58.9164.8000111.9C45 P55 L64 D68C45-I66 HydrophobicContact CB-CG2 3.91Å; P55-I66 HydrophobicContact CG-CD1 3.6Å; P55-I66 HydrophobicContact CG-CG1 3.41Å; P55-I66 VanDerWaalsContact CG-CG1 3.41Å; L64-I66 PolarHBondContact O-N 3.02Å; I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 3.03Å
67T85.4Confident88.9Confident122 Ų12245.1 Ų45.175%0.74826%0.264SS*.THydrogen-bonded Turntrans-75.2-18.1178.866.60000113.8N65 I69N65-T67 PolarHBondContact ND2-OG1 3.04Å; N65-T67 PolarHBondContact O-N 2.79Å; N65-T67 VanDerWaalsContact O-N 3.13Å; N65-T67 PolarHBondContact OD1-N 2.9Å; N65-T67 PolarHBondContact OD1-OG1 3.38Å; T67-I69 PolarHBondContact O-N 3.37Å
68D88.4Confident88.9Confident61 Ų6145.3 Ų45.333%0.32627%0.265SS..  trans-99.277.7179.5-176.713.2000110.6N65 I66 D70 G71 I72 R74N65-D68 HydrophobicContact CB-CB 4.19Å; N65-D68 PolarHBondContact O-N 2.89Å; I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 3.03Å; D68-D70 VanDerWaalsContact C-N 3.27Å; D68-D70 PolarHBondContact O-N 3.36Å; D68-G71 VanDerWaalsContact CG-N 3.31Å; D68-G71 PolarHBondContact O-N 3.05Å; D68-G71 VanDerWaalsContact O-N 3.16Å; D68-G71 PolarHBondContact OD1-N 2.76Å; D68-G71 WeakPolarHBondContact OD2-CA 3.16Å; D68-I72 WeakPolarHBondContact O-CG1 3.39Å; D68-I72 PolarHBondContact O-N 2.67Å; D68-R74 IonicContact OD2-NH2 2.64Å
69I88.9Confident89.1Confident121 Ų12144 Ų4462%0.62125%0.25SS*.Hα-helixtrans-57.2-43.5179-60.9171.9000110.7T67 G71 I72 E73T67-I69 PolarHBondContact O-N 3.37Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 2.87Å; I69-I72 PolarHBondContact O-N 3.2Å; I69-E73 WeakPolarHBondContact O-CG 3.45Å; I69-E73 PolarHBondContact O-N 3.1Å
70D90.5Very high89.2Confident60 Ų6043.7 Ų43.732%0.32125%0.249SC..Hα-helixtrans-61.8-41.7178.6-88.6-46.3000111.1D68 E73 R74 K117 N130D68-D70 VanDerWaalsContact C-N 3.27Å; D68-D70 PolarHBondContact O-N 3.36Å; D70-E73 PolarHBondContact O-N 3.44Å; D70-R74 VanDerWaalsContact C-NH1 3.31Å; D70-R74 WeakPolarHBondContact O-CG 3.23Å; D70-R74 PolarHBondContact O-N 3.35Å; D70-R74 PolarHBondContact O-NH1 3.06Å; D70-K117 WeakPolarHBondContact OD1-CE 3.46Å; D70-K117 IonicContact OD1-NZ 3.16Å; D70-K117 PolarHBondContact OD1-NZ 2.84Å; D70-K117 WeakPolarHBondContact OD2-CE 3.34Å; D70-K117 IonicContact OD2-NZ 3.06Å; D70-K117 PolarHBondContact OD2-NZ 3.11Å; D70-N130 PolarHBondContact OD1-ND2 3.08Å
71G89.5Confident89.4Confident14 Ų1443.3 Ų43.314%0.14425%0.245CC..Hα-helixtrans-64.1-42.317500000113.6D68 I69 R74 H75D68-G71 VanDerWaalsContact CG-N 3.31Å; D68-G71 PolarHBondContact O-N 3.05Å; D68-G71 VanDerWaalsContact O-N 3.16Å; D68-G71 PolarHBondContact OD1-N 2.76Å; D68-G71 WeakPolarHBondContact OD2-CA 3.16Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 2.87Å; G71-R74 VanDerWaalsContact CA-NH2 3.32Å; G71-R74 PolarHBondContact O-N 2.93Å; G71-H75 VanDerWaalsContact O-CB 3.24Å; G71-H75 WeakPolarHBondContact O-CB 3.32Å; G71-H75 PolarHBondContact O-N 2.75Å
72I89.6Confident89.5Confident14 Ų1438.2 Ų38.27%0.07222%0.218CC..Hα-helixtrans-63-44.6175.7-69.8163.2000110.8F41 N65 D68 I69 H75 S76F41-I72 HydrophobicContact CB-CG2 3.68Å; F41-I72 HydrophobicContact CD1-CG2 4.02Å; F41-I72 HydrophobicContact CG-CG2 4.11Å; N65-I72 WeakPolarHBondContact O-CD1 3.22Å; D68-I72 WeakPolarHBondContact O-CG1 3.39Å; D68-I72 PolarHBondContact O-N 2.67Å; I69-I72 PolarHBondContact O-N 3.2Å; I72-H75 PolarHBondContact O-N 3.24Å; I72-S76 VanDerWaalsContact O-CB 3.32Å; I72-S76 WeakPolarHBondContact O-CB 3.41Å; I72-S76 PolarHBondContact O-N 3.33Å
73E92.3Very high89.8Confident48 Ų4836.5 Ų36.522%0.22420%0.203CC..Hα-helixtrans-60.2-49175.7-76.7-169.4162.400111.8L38 I69 D70 H75 S76 F77 N130L38-E73 HydrophobicContact CD1-CG 4.06Å; I69-E73 WeakPolarHBondContact O-CG 3.45Å; I69-E73 PolarHBondContact O-N 3.1Å; D70-E73 PolarHBondContact O-N 3.44Å; E73-H75 VanDerWaalsContact C-N 3.31Å; E73-H75 PolarHBondContact O-N 3.02Å; E73-S76 PolarHBondContact O-N 3.23Å; E73-F77 HydrophobicContact CB-CD2 4.33Å; E73-F77 HydrophobicContact CB-CE2 3.93Å; E73-F77 HydrophobicContact CB-CZ 4.44Å; E73-F77 HydrophobicContact CG-CE2 4.45Å; E73-F77 WeakPolarHBondContact O-CB 3.45Å; E73-F77 VanDerWaalsContact O-CD2 3.24Å; E73-F77 WeakPolarHBondContact O-CD2 3.13Å; E73-F77 WeakPolarHBondContact O-CG 3.41Å; E73-F77 PolarHBondContact O-N 3.02Å; E73-N130 HydrophobicContact CB-CB 4.28Å; E73-N130 PolarHBondContact OE2-ND2 2.94Å
74R91.2Very high90.1Very high8 Ų833.8 Ų33.83%0.0318%0.181CC..Hα-helixtrans-56.2-47.7176.6-75.8-169.2-51.2-84.5-1111.7D68 D70 G71 F78 L114 P115 T116 N130D68-R74 IonicContact OD2-NH2 2.64Å; D70-R74 VanDerWaalsContact C-NH1 3.31Å; D70-R74 WeakPolarHBondContact O-CG 3.23Å; D70-R74 PolarHBondContact O-N 3.35Å; D70-R74 PolarHBondContact O-NH1 3.06Å; G71-R74 VanDerWaalsContact CA-NH2 3.32Å; G71-R74 PolarHBondContact O-N 2.93Å; R74-F78 WeakPolarHBondContact O-CB 3.27Å; R74-F78 PolarHBondContact O-N 3.4Å; R74-L114 PolarHBondContact NE-O 2.97Å; R74-L114 PolarHBondContact NH2-O 3.36Å; R74-P115 VanDerWaalsContact NH2-C 3.27Å; R74-P115 PolarHBondContact NH2-O 2.79Å; R74-T116 VanDerWaalsContact CD-O 3.22Å; R74-T116 WeakPolarHBondContact CD-O 3.39Å; R74-T116 PolarHBondContact NE-O 2.85Å; R74-N130 HydrophobicContact CB-CB 4.47Å; R74-N130 WeakPolarHBondContact CD-OD1 3.32Å; R74-N130 HydrophobicContact CG-CB 3.45Å; R74-N130 VanDerWaalsContact CG-CB 3.45Å; R74-N130 VanDerWaalsContact CG-OD1 3.24Å; R74-N130 WeakPolarHBondContact CG-OD1 3.4Å; R74-N130 PolarHBondContact NH1-OD1 2.86Å
75H90.4Very high90.4Very high28 Ų2833.7 Ų33.713%0.1318%0.181CC..Hα-helixtrans-60.9-46.7-179.8-175.697.6000111.4F41 C57 C60 G71 I72 E73 F78 H79F41-H75 AromaticContact CE1-CD2 3.49Å; F41-H75 VanDerWaalsContact CE1-CD2 3.49Å; F41-H75 WeakPolarHBondContact CE1-CD2 3.43Å; F41-H75 AromaticContact CZ-CD2 3.58Å; C57-H75 WeakPolarHBondContact CB-NE2 3.36Å; C57-H75 PolarHBondContact SG-NE2 3.32Å; C60-H75 PolarHBondContact SG-CE1 3.42Å; C60-H75 PolarHBondContact SG-NE2 2.99Å; C60-H75 VanDerWaalsContact SG-NE2 3.41Å; G71-H75 VanDerWaalsContact O-CB 3.24Å; G71-H75 WeakPolarHBondContact O-CB 3.32Å; G71-H75 PolarHBondContact O-N 2.75Å; I72-H75 PolarHBondContact O-N 3.24Å; E73-H75 VanDerWaalsContact C-N 3.31Å; E73-H75 PolarHBondContact O-N 3.02Å; H75-F78 PolarHBondContact O-N 3.49Å; H75-H79 AromaticContact CD2-CD2 3.67Å; H75-H79 AromaticContact CD2-NE2 3.98Å; H75-H79 AromaticContact CE1-NE2 3.97Å; H75-H79 AromaticContact NE2-CD2 3.48Å; H75-H79 PolarHBondContact NE2-CD2 3.39Å; H75-H79 AromaticContact NE2-NE2 3.28Å; H75-H79 PolarHBondContact NE2-NE2 3.46Å; H75-H79 PolarHBondContact O-N 2.64Å
76S92.3Very high90.8Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-62.8-50.9178.1-172.20000112.2L38 F41 I72 E73 F78 H79 S80L38-S76 WeakPolarHBondContact CA-OG 3.45Å; L38-S76 PolarHBondContact N-OG 3.29Å; F41-S76 WeakPolarHBondContact CD2-OG 3.36Å; F41-S76 VanDerWaalsContact CE2-OG 3.28Å; F41-S76 WeakPolarHBondContact CE2-OG 3.36Å; I72-S76 VanDerWaalsContact O-CB 3.32Å; I72-S76 WeakPolarHBondContact O-CB 3.41Å; I72-S76 PolarHBondContact O-N 3.33Å; E73-S76 PolarHBondContact O-N 3.23Å; S76-F78 PolarHBondContact O-N 2.89Å; S76-H79 WeakPolarHBondContact O-CB 3.43Å; S76-H79 PolarHBondContact O-N 3.08Å; S76-S80 PolarHBondContact O-N 3.44Å; S76-S80 PolarHBondContact O-OG 2.99Å
77F92.8Very high91.3Very high18 Ų1828.3 Ų28.38%0.07915%0.153CC..Hα-helixtrans-62.7-32.8-179.7-64.2-27.3000112.6K34 L38 E73 S80 W81 N130 D131K34-F77 HydrophobicContact CD-CD1 3.67Å; K34-F77 HydrophobicContact CD-CE1 4.04Å; K34-F77 HydrophobicContact CD-CG 4.29Å; K34-F77 HydrophobicContact CG-CD1 3.38Å; K34-F77 HydrophobicContact CG-CE1 3.76Å; K34-F77 HydrophobicContact CG-CG 4.36Å; L38-F77 HydrophobicContact CB-CE1 4.45Å; L38-F77 HydrophobicContact CD2-CE1 3.91Å; L38-F77 HydrophobicContact CD2-CZ 3.97Å; E73-F77 HydrophobicContact CB-CD2 4.33Å; E73-F77 HydrophobicContact CB-CE2 3.93Å; E73-F77 HydrophobicContact CB-CZ 4.44Å; E73-F77 HydrophobicContact CG-CE2 4.45Å; E73-F77 WeakPolarHBondContact O-CB 3.45Å; E73-F77 VanDerWaalsContact O-CD2 3.24Å; E73-F77 WeakPolarHBondContact O-CD2 3.13Å; E73-F77 WeakPolarHBondContact O-CG 3.41Å; E73-F77 PolarHBondContact O-N 3.02Å; F77-S80 PolarHBondContact O-N 3.08Å; F77-W81 WeakPolarHBondContact O-CB 2.96Å; F77-W81 PolarHBondContact O-N 3.26Å; F77-N130 HydrophobicContact CD2-CB 4.21Å; F77-N130 HydrophobicContact CE2-CB 4.33Å; F77-D131 HydrophobicContact CD2-CB 3.85Å; F77-D131 HydrophobicContact CE2-CB 4.4Å; F77-D131 HydrophobicContact CG-CB 4.34Å
78F91.1Very high91.6Very high4 Ų423.4 Ų23.42%0.01812%0.122CC..Hα-helixtrans-65.9-42.7173.9-164.5-77.3000111.9R74 H75 S76 S80 W81 V82 I111 L114 L195 L352 A355R74-F78 WeakPolarHBondContact O-CB 3.27Å; R74-F78 PolarHBondContact O-N 3.4Å; H75-F78 PolarHBondContact O-N 3.49Å; S76-F78 PolarHBondContact O-N 2.89Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 2.8Å; F78-W81 HydrophobicContact CE2-CE3 4.46Å; F78-W81 HydrophobicContact CE2-CZ3 4.32Å; F78-W81 HydrophobicContact CZ-CE3 4.43Å; F78-W81 HydrophobicContact CZ-CZ3 4.16Å; F78-W81 PolarHBondContact O-N 3.22Å; F78-V82 HydrophobicContact CD1-CG2 3.58Å; F78-V82 HydrophobicContact CE1-CG2 3.37Å; F78-V82 HydrophobicContact CZ-CG2 4.34Å; F78-V82 WeakPolarHBondContact O-CG2 3.48Å; F78-V82 PolarHBondContact O-N 3.33Å; F78-I111 HydrophobicContact CB-CD1 4.06Å; F78-I111 HydrophobicContact CB-CG2 4.29Å; F78-I111 HydrophobicContact CD1-CB 4.13Å; F78-I111 HydrophobicContact CD1-CD1 3.6Å; F78-I111 HydrophobicContact CD1-CG1 3.62Å; F78-I111 HydrophobicContact CD1-CG2 3.46Å; F78-I111 VanDerWaalsContact CD1-CG2 3.46Å; F78-I111 HydrophobicContact CD2-CG2 4.28Å; F78-I111 HydrophobicContact CE1-CB 4.29Å; F78-I111 HydrophobicContact CE1-CD1 4.47Å; F78-I111 HydrophobicContact CE1-CG1 4Å; F78-I111 HydrophobicContact CE1-CG2 3.71Å; F78-I111 HydrophobicContact CE2-CG2 4.45Å; F78-I111 HydrophobicContact CG-CD1 4.18Å; F78-I111 HydrophobicContact CG-CG2 3.76Å; F78-I111 HydrophobicContact CZ-CG2 4.2Å; F78-L114 HydrophobicContact CB-CD1 4.42Å; F78-L114 HydrophobicContact CD2-CD1 3.42Å; F78-L114 VanDerWaalsContact CD2-CD1 3.42Å; F78-L114 HydrophobicContact CE2-CD1 3.83Å; F78-L114 HydrophobicContact CG-CD1 4.13Å; F78-L195 HydrophobicContact CZ-CD1 4.49Å; F78-L352 HydrophobicContact CD2-CD2 4.38Å; F78-L352 HydrophobicContact CE2-CD2 3.49Å; F78-L352 VanDerWaalsContact CE2-CD2 3.49Å; F78-L352 HydrophobicContact CZ-CD2 4.29Å; F78-A355 HydrophobicContact CZ-CB 3.86Å
79H91.5Very high91.9Very high2 Ų220.5 Ų20.51%0.00911%0.107CC..Hα-helixtrans-57.9-44.4172.6-88.4-56.2000112.1C57 I59 C60 H75 S76 W81 V82 N83 N109 I111C57-H79 PolarHBondContact SG-NE2 3.01Å; C57-H79 VanDerWaalsContact SG-NE2 3.41Å; I59-H79 HydrophobicContact CD1-CB 3.96Å; I59-H79 VanDerWaalsContact CG2-CE1 3.44Å; I59-H79 WeakPolarHBondContact CG2-CE1 3.41Å; I59-H79 WeakPolarHBondContact CG2-ND1 3.3Å; C60-H79 PolarHBondContact SG-NE2 3Å; C60-H79 VanDerWaalsContact SG-NE2 3.37Å; H75-H79 AromaticContact CD2-CD2 3.67Å; H75-H79 AromaticContact CD2-NE2 3.98Å; H75-H79 AromaticContact CE1-NE2 3.97Å; H75-H79 AromaticContact NE2-CD2 3.48Å; H75-H79 PolarHBondContact NE2-CD2 3.39Å; H75-H79 AromaticContact NE2-NE2 3.28Å; H75-H79 PolarHBondContact NE2-NE2 3.46Å; H75-H79 PolarHBondContact O-N 2.64Å; S76-H79 WeakPolarHBondContact O-CB 3.43Å; S76-H79 PolarHBondContact O-N 3.08Å; H79-W81 VanDerWaalsContact C-N 3.34Å; H79-W81 PolarHBondContact O-N 3.38Å; H79-V82 PolarHBondContact O-N 3.1Å; H79-N83 VanDerWaalsContact O-CB 3.28Å; H79-N83 WeakPolarHBondContact O-CB 3.38Å; H79-N83 PolarHBondContact O-N 2.87Å; H79-N109 PolarHBondContact CE1-O 3.12Å; H79-I111 HydrophobicContact CB-CD1 4.4Å; H79-I111 WeakPolarHBondContact CD2-CD1 3.49Å; H79-I111 WeakPolarHBondContact CE1-CD1 3.3Å; H79-I111 WeakPolarHBondContact NE2-CD1 3.32Å
80S92.7Very high92.1Very high6 Ų620.4 Ų20.44%0.04210%0.102CC..Hα-helixtrans-59.7-45.4177.3-49.20000112.2K34 Q37 S76 F77 F78 N83 Q84K34-S80 WeakPolarHBondContact CA-OG 3.34Å; Q37-S80 PolarHBondContact OE1-OG 3.12Å; S76-S80 PolarHBondContact O-N 3.44Å; S76-S80 PolarHBondContact O-OG 2.99Å; F77-S80 PolarHBondContact O-N 3.08Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 2.8Å; S80-N83 PolarHBondContact O-N 3.44Å; S80-Q84 WeakPolarHBondContact O-CB 3.35Å; S80-Q84 PolarHBondContact O-N 3.24Å
81W92.4Very high92.2Very high12 Ų1220.1 Ų20.15%0.04510%0.098CC..Hα-helixtrans-64-45.4177.217970000112.4F77 F78 H79 N83 Q84 L85 V132 I136 K185 L195 L352F77-W81 WeakPolarHBondContact O-CB 2.96Å; F77-W81 PolarHBondContact O-N 3.26Å; F78-W81 HydrophobicContact CE2-CE3 4.46Å; F78-W81 HydrophobicContact CE2-CZ3 4.32Å; F78-W81 HydrophobicContact CZ-CE3 4.43Å; F78-W81 HydrophobicContact CZ-CZ3 4.16Å; F78-W81 PolarHBondContact O-N 3.22Å; H79-W81 VanDerWaalsContact C-N 3.34Å; H79-W81 PolarHBondContact O-N 3.38Å; W81-N83 PolarHBondContact O-N 3.09Å; W81-Q84 WeakPolarHBondContact O-CB 3.36Å; W81-Q84 PolarHBondContact O-N 2.81Å; W81-L85 HydrophobicContact CD2-CD1 4.11Å; W81-L85 HydrophobicContact CE3-CD1 4.34Å; W81-L85 HydrophobicContact CH2-CD1 3.85Å; W81-L85 HydrophobicContact CZ2-CD1 3.57Å; W81-L85 HydrophobicContact CZ3-CD1 4.22Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; W81-L85 PolarHBondContact O-N 3.4Å; W81-V132 HydrophobicContact CB-CG1 3.54Å; W81-V132 HydrophobicContact CD2-CG1 3.66Å; W81-V132 HydrophobicContact CD2-CG2 4.42Å; W81-V132 HydrophobicContact CE3-CG1 3.95Å; W81-V132 HydrophobicContact CE3-CG2 4.45Å; W81-V132 HydrophobicContact CG-CG1 3.49Å; W81-V132 VanDerWaalsContact CG-CG1 3.49Å; W81-I136 HydrophobicContact CZ2-CD1 3.86Å; W81-K185 HydrophobicContact CH2-CB 3.68Å; W81-K185 HydrophobicContact CH2-CG 3.83Å; W81-K185 HydrophobicContact CZ2-CB 3.84Å; W81-K185 HydrophobicContact CZ2-CG 4.42Å; W81-L195 HydrophobicContact CH2-CD1 4.31Å; W81-L195 HydrophobicContact CZ3-CD1 3.84Å; W81-L352 HydrophobicContact CH2-CD1 3.91Å; W81-L352 HydrophobicContact CZ3-CD1 4.38Å
82V91.7Very high92.3Very high11 Ų1120 Ų207%0.0679%0.094CC..Hα-helixtrans-62.4-42.5176.3173.10000111.4F78 H79 Q84 L85 K86 L195F78-V82 HydrophobicContact CD1-CG2 3.58Å; F78-V82 HydrophobicContact CE1-CG2 3.37Å; F78-V82 HydrophobicContact CZ-CG2 4.34Å; F78-V82 WeakPolarHBondContact O-CG2 3.48Å; F78-V82 PolarHBondContact O-N 3.33Å; H79-V82 PolarHBondContact O-N 3.1Å; V82-Q84 PolarHBondContact O-N 2.95Å; V82-L85 PolarHBondContact O-N 3.34Å; V82-K86 HydrophobicContact CG1-CD 4.4Å; V82-K86 HydrophobicContact CG1-CG 4.41Å; V82-K86 WeakPolarHBondContact O-CG 3.23Å; V82-K86 PolarHBondContact O-N 3.33Å; V82-L195 HydrophobicContact CG1-CD2 4.15Å; V82-L195 HydrophobicContact CG2-CD1 4.44Å; V82-L195 HydrophobicContact CG2-CD2 4.11Å
83N92.7Very high92.5Very high2 Ų220.3 Ų20.31%0.01110%0.096CC..Hα-helixtrans-61-43.8177-1746.8000111.7S17 L33 H79 S80 W81 L85 K86 T87S17-N83 PolarHBondContact O-ND2 3.44Å; L33-N83 HydrophobicContact CD2-CB 4.36Å; L33-N83 VanDerWaalsContact CD2-ND2 3.32Å; L33-N83 WeakPolarHBondContact CD2-ND2 3.3Å; H79-N83 VanDerWaalsContact O-CB 3.28Å; H79-N83 WeakPolarHBondContact O-CB 3.38Å; H79-N83 PolarHBondContact O-N 2.87Å; S80-N83 PolarHBondContact O-N 3.44Å; W81-N83 PolarHBondContact O-N 3.09Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 PolarHBondContact O-N 3.33Å; N83-K86 PolarHBondContact O-N 3.19Å; N83-T87 WeakPolarHBondContact O-CB 3.42Å; N83-T87 PolarHBondContact O-N 2.83Å; N83-T87 PolarHBondContact O-OG1 2.92Å
84Q92.9Very high92.5Very high30 Ų3023.1 Ų23.114%0.1411%0.11CC..Hα-helixtrans-56.2-48.1172.5179.5-171-6.200111.3Y16 E30 S80 W81 V82 K86 T87 I88Y16-Q84 HydrophobicContact CE1-CB 4.2Å; Y16-Q84 HydrophobicContact CE1-CG 3.76Å; E30-Q84 PolarHBondContact OE2-NE2 3.47Å; E30-Q84 PolarHBondContact OE2-OE1 3.41Å; S80-Q84 WeakPolarHBondContact O-CB 3.35Å; S80-Q84 PolarHBondContact O-N 3.24Å; W81-Q84 WeakPolarHBondContact O-CB 3.36Å; W81-Q84 PolarHBondContact O-N 2.81Å; V82-Q84 PolarHBondContact O-N 2.95Å; Q84-K86 VanDerWaalsContact C-N 3.34Å; Q84-K86 PolarHBondContact O-N 2.83Å; Q84-T87 PolarHBondContact O-N 3.28Å; Q84-I88 HydrophobicContact CG-CD1 4.09Å; Q84-I88 WeakPolarHBondContact O-CG1 3.44Å; Q84-I88 PolarHBondContact O-N 3.47Å
85L93.1Very high92.5Very high6 Ų626.7 Ų26.73%0.03113%0.128CC..Hα-helixtrans-64.6-35.9179.1-66.7-171000113.1W81 V82 N83 I88 G89 K185 A188 L195W81-L85 HydrophobicContact CD2-CD1 4.11Å; W81-L85 HydrophobicContact CE3-CD1 4.34Å; W81-L85 HydrophobicContact CH2-CD1 3.85Å; W81-L85 HydrophobicContact CZ2-CD1 3.57Å; W81-L85 HydrophobicContact CZ3-CD1 4.22Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; W81-L85 PolarHBondContact O-N 3.4Å; V82-L85 PolarHBondContact O-N 3.34Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 PolarHBondContact O-N 3.33Å; L85-I88 HydrophobicContact CD2-CD1 4.42Å; L85-G89 PolarHBondContact O-N 2.89Å; L85-K185 HydrophobicContact CD1-CB 3.69Å; L85-A188 HydrophobicContact CB-CB 3.74Å; L85-A188 PolarHBondContact O-N 3.35Å; L85-L195 HydrophobicContact CD1-CD2 4.26Å
86K93.2Very high92.5Very high7 Ų727.4 Ų27.43%0.0313%0.133CC..Hα-helixtrans-66.3-42.2174.2-76-171.9-65.7-177.80111.1E19 V82 N83 Q84 G89 K90 N109 A188E19-K86 WeakPolarHBondContact OE1-CE 3.49Å; E19-K86 IonicContact OE1-NZ 2.86Å; E19-K86 PolarHBondContact OE1-NZ 3.47Å; E19-K86 WeakPolarHBondContact OE2-CE 3.34Å; E19-K86 IonicContact OE2-NZ 3.16Å; E19-K86 PolarHBondContact OE2-NZ 3.4Å; V82-K86 HydrophobicContact CG1-CD 4.4Å; V82-K86 HydrophobicContact CG1-CG 4.41Å; V82-K86 WeakPolarHBondContact O-CG 3.23Å; V82-K86 PolarHBondContact O-N 3.33Å; N83-K86 PolarHBondContact O-N 3.19Å; Q84-K86 VanDerWaalsContact C-N 3.34Å; Q84-K86 PolarHBondContact O-N 2.83Å; K86-G89 CarbonylContact O-C 3.37Å; K86-G89 PolarHBondContact O-N 2.65Å; K86-K90 WeakPolarHBondContact O-CB 3.35Å; K86-K90 PolarHBondContact O-N 2.89Å; K86-N109 PolarHBondContact NZ-OD1 2.91Å; K86-A188 HydrophobicContact CB-CB 4.43Å; K86-A188 HydrophobicContact CG-CB 3.68Å
87T94.3Very high92.5Very high21 Ų2131.6 Ų31.613%0.12916%0.155CC..Hα-helixtrans-61.9-47.3177-59.60000111.1L14 S15 Y16 N83 Q84 G89 K90 H91L14-T87 HydrophobicContact CD2-CG2 4.12Å; S15-T87 WeakPolarHBondContact O-CG2 3.24Å; Y16-T87 HydrophobicContact CD1-CG2 3.68Å; Y16-T87 HydrophobicContact CE1-CG2 3.92Å; N83-T87 WeakPolarHBondContact O-CB 3.42Å; N83-T87 PolarHBondContact O-N 2.83Å; N83-T87 PolarHBondContact O-OG1 2.92Å; Q84-T87 PolarHBondContact O-N 3.28Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-G89 PolarHBondContact O-N 2.99Å; T87-K90 PolarHBondContact O-N 2.86Å; T87-H91 PolarHBondContact O-N 2.95Å; T87-H91 VanDerWaalsContact O-N 3.11Å
88I93Very high92.5Very high19 Ų1931.2 Ų31.210%0.09715%0.154CC..Hα-helixtrans-58.7-45.8173.1-65.5166.4000110.2L9 L14 Q84 L85 H91 V92 F199L9-I88 HydrophobicContact CD2-CG2 4.48Å; L14-I88 HydrophobicContact CD1-CG1 3.7Å; Q84-I88 HydrophobicContact CG-CD1 4.09Å; Q84-I88 WeakPolarHBondContact O-CG1 3.44Å; Q84-I88 PolarHBondContact O-N 3.47Å; L85-I88 HydrophobicContact CD2-CD1 4.42Å; I88-H91 PolarHBondContact O-N 2.79Å; I88-V92 HydrophobicContact CG2-CG2 4.31Å; I88-V92 WeakPolarHBondContact O-CB 3.47Å; I88-V92 VanDerWaalsContact O-CG2 3.3Å; I88-V92 WeakPolarHBondContact O-CG2 3.46Å; I88-V92 PolarHBondContact O-N 3.27Å; I88-F199 HydrophobicContact CG2-CE1 3.5Å; I88-F199 VanDerWaalsContact CG2-CE1 3.5Å; I88-F199 HydrophobicContact CG2-CZ 3.6Å
89G94.2Very high92.5Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-60.4-44.2179.300000113.5L85 K86 T87 V92 L93L85-G89 PolarHBondContact O-N 2.89Å; K86-G89 CarbonylContact O-C 3.37Å; K86-G89 PolarHBondContact O-N 2.65Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-G89 PolarHBondContact O-N 2.99Å; G89-V92 PolarHBondContact O-N 3.25Å; G89-L93 WeakPolarHBondContact O-CB 3.45Å; G89-L93 PolarHBondContact O-N 3.47Å
90K93.8Very high92.5Very high118 Ų11835.5 Ų35.551%0.51318%0.18SC..Hα-helixtrans-58.2-50.4175.3-177.6179.8175.4-177.50111.2K86 T87 V92 L93 E94 P190K86-K90 WeakPolarHBondContact O-CB 3.35Å; K86-K90 PolarHBondContact O-N 2.89Å; T87-K90 PolarHBondContact O-N 2.86Å; K90-V92 PolarHBondContact O-N 3.26Å; K90-L93 WeakPolarHBondContact O-CB 3.49Å; K90-L93 PolarHBondContact O-N 3.37Å; K90-E94 WeakPolarHBondContact CE-OE1 3.49Å; K90-E94 WeakPolarHBondContact CG-OE1 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.49Å; K90-E94 PolarHBondContact O-N 3.3Å; K90-P190 HydrophobicContact CB-CB 3.96Å; K90-P190 HydrophobicContact CB-CG 4.15Å
91H92.5Very high92.4Very high55 Ų5535.7 Ų35.726%0.25518%0.181SC..Hα-helixtrans-67.7-39.3-177.8-167.390.5000112.7M12 L14 T87 I88 L93 E94 I95M12-H91 HydrophobicContact CE-CB 3.52Å; M12-H91 WeakPolarHBondContact CE-CD2 3.38Å; M12-H91 PolarHBondContact SD-CD2 3.32Å; L14-H91 HydrophobicContact CD2-CB 4.18Å; T87-H91 PolarHBondContact O-N 2.95Å; T87-H91 VanDerWaalsContact O-N 3.11Å; I88-H91 PolarHBondContact O-N 2.79Å; H91-L93 VanDerWaalsContact C-N 3.28Å; H91-L93 PolarHBondContact O-N 3.24Å; H91-E94 PolarHBondContact O-N 3.17Å; H91-I95 WeakPolarHBondContact CD2-CD1 3.14Å; H91-I95 VanDerWaalsContact NE2-CD1 3.26Å; H91-I95 WeakPolarHBondContact NE2-CD1 3.45Å; H91-I95 WeakPolarHBondContact O-CG1 3.42Å; H91-I95 PolarHBondContact O-N 2.75Å
92V91.7Very high92.1Very high10 Ų1039.3 Ų39.36%0.06120%0.201CC..Hα-helixtrans-63.4-37.8174.4170.40000111.1I88 G89 K90 N96 W98 F199I88-V92 HydrophobicContact CG2-CG2 4.31Å; I88-V92 WeakPolarHBondContact O-CB 3.47Å; I88-V92 VanDerWaalsContact O-CG2 3.3Å; I88-V92 WeakPolarHBondContact O-CG2 3.46Å; I88-V92 PolarHBondContact O-N 3.27Å; G89-V92 PolarHBondContact O-N 3.25Å; K90-V92 PolarHBondContact O-N 3.26Å; V92-N96 WeakPolarHBondContact O-CB 3.29Å; V92-N96 PolarHBondContact O-N 3.49Å; V92-N96 PolarHBondContact O-ND2 3.29Å; V92-W98 HydrophobicContact CG1-CE3 4.45Å; V92-W98 HydrophobicContact CG1-CH2 3.82Å; V92-W98 HydrophobicContact CG1-CZ3 3.61Å; V92-F199 HydrophobicContact CB-CD1 4.48Å; V92-F199 HydrophobicContact CG1-CB 4.19Å; V92-F199 HydrophobicContact CG1-CD1 4.2Å; V92-F199 HydrophobicContact CG1-CG 4.06Å; V92-F199 HydrophobicContact CG2-CD1 4.06Å; V92-F199 HydrophobicContact CG2-CD2 4.33Å; V92-F199 HydrophobicContact CG2-CE1 3.9Å; V92-F199 HydrophobicContact CG2-CE2 4.13Å; V92-F199 HydrophobicContact CG2-CG 4.31Å; V92-F199 HydrophobicContact CG2-CZ 3.93Å
93L92.6Very high91.8Very high22 Ų2240.9 Ų40.912%0.11521%0.213CC..Hα-helixtrans-60.5-47.2173.8-179.5161.5000110.9G89 K90 H91 N96 D97 W98 P190 L206G89-L93 WeakPolarHBondContact O-CB 3.45Å; G89-L93 PolarHBondContact O-N 3.47Å; K90-L93 WeakPolarHBondContact O-CB 3.49Å; K90-L93 PolarHBondContact O-N 3.37Å; H91-L93 VanDerWaalsContact C-N 3.28Å; H91-L93 PolarHBondContact O-N 3.24Å; L93-N96 PolarHBondContact O-N 3.2Å; L93-D97 PolarHBondContact O-N 3.17Å; L93-W98 WeakPolarHBondContact CD2-O 3.1Å; L93-W98 HydrophobicContact CG-CB 4.14Å; L93-W98 PolarHBondContact O-N 3.26Å; L93-W98 VanDerWaalsContact O-N 3.09Å; L93-P190 HydrophobicContact CD1-CG 4.46Å; L93-L206 HydrophobicContact CD1-CD1 3.79Å; L93-L206 HydrophobicContact CD1-CD2 4.47Å; L93-L206 HydrophobicContact CG-CD1 4.29Å
94E91.9Very high91.2Very high107 Ų10745.8 Ų45.850%0.524%0.239SC..Hα-helixtrans-62.9-51.1178.5-70.7166-177.500112.2K90 H91 N96 D97K90-E94 WeakPolarHBondContact CE-OE1 3.49Å; K90-E94 WeakPolarHBondContact CG-OE1 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.49Å; K90-E94 PolarHBondContact O-N 3.3Å; H91-E94 PolarHBondContact O-N 3.17Å; E94-N96 PolarHBondContact O-N 3.04Å; E94-D97 PolarHBondContact O-N 3.18Å
95I91.1Very high90.6Very high82 Ų8248.4 Ų48.442%0.42126%0.26SS..Hα-helixtrans-55.8-40.9178.7-75.3-178.8000111.9L8 M12 H91L8-I95 HydrophobicContact CD2-CG2 4.32Å; M12-I95 HydrophobicContact SD-CD1 4.35Å; H91-I95 WeakPolarHBondContact CD2-CD1 3.14Å; H91-I95 VanDerWaalsContact NE2-CD1 3.26Å; H91-I95 WeakPolarHBondContact NE2-CD1 3.45Å; H91-I95 WeakPolarHBondContact O-CG1 3.42Å; H91-I95 PolarHBondContact O-N 2.75Å
96N90.8Very high89.6Confident43 Ų4353.2 Ų53.223%0.2329%0.289CS..THydrogen-bonded Turntrans-94.50.5-173.2-67.2-95.7000113.1V92 L93 E94 W98V92-N96 WeakPolarHBondContact O-CB 3.29Å; V92-N96 PolarHBondContact O-N 3.49Å; V92-N96 PolarHBondContact O-ND2 3.29Å; L93-N96 PolarHBondContact O-N 3.2Å; E94-N96 PolarHBondContact O-N 3.04Å; N96-W98 VanDerWaalsContact C-N 3.32Å; N96-W98 HydrophobicContact CB-CD2 3.84Å; N96-W98 HydrophobicContact CB-CG 4.03Å; N96-W98 HydrophobicContact CB-CH2 4.49Å; N96-W98 HydrophobicContact CB-CZ2 3.75Å; N96-W98 VanDerWaalsContact CB-NE1 3.32Å; N96-W98 VanDerWaalsContact O-CD1 3.27Å; N96-W98 PolarHBondContact O-N 2.86Å
97D91.8Very high88.5Confident88 Ų8853.6 Ų53.647%0.47129%0.293SS..THydrogen-bonded Turntrans4955.2-177.8-160.39.5000111.4L93 E94 H225 H226 S227L93-D97 PolarHBondContact O-N 3.17Å; E94-D97 PolarHBondContact O-N 3.18Å; D97-H225 PolarHBondContact O-CE1 3.46Å; D97-H225 IonicContact OD1-CE1 2.72Å; D97-H226 IonicContact OD1-NE2 3.35Å; D97-H226 IonicContact OD2-CE1 2.69Å; D97-H226 PolarHBondContact OD2-CE1 3.22Å; D97-H226 IonicContact OD2-NE2 3.68Å; D97-H226 PolarHBondContact OD2-NE2 3.32Å; D97-S227 VanDerWaalsContact O-CB 3.26Å; D97-S227 WeakPolarHBondContact O-CB 3.48Å; D97-S227 PolarHBondContact O-OG 2.91Å
98W92.9Very high87.8Confident11 Ų1153.3 Ų53.34%0.04229%0.292CS..PPolyproline II helixtrans-91.1150.4178.9-73.8-6.9000111.1V92 L93 N96 F199 L202 E203 L206V92-W98 HydrophobicContact CG1-CE3 4.45Å; V92-W98 HydrophobicContact CG1-CH2 3.82Å; V92-W98 HydrophobicContact CG1-CZ3 3.61Å; L93-W98 WeakPolarHBondContact CD2-O 3.1Å; L93-W98 HydrophobicContact CG-CB 4.14Å; L93-W98 PolarHBondContact O-N 3.26Å; L93-W98 VanDerWaalsContact O-N 3.09Å; N96-W98 VanDerWaalsContact C-N 3.32Å; N96-W98 HydrophobicContact CB-CD2 3.84Å; N96-W98 HydrophobicContact CB-CG 4.03Å; N96-W98 HydrophobicContact CB-CH2 4.49Å; N96-W98 HydrophobicContact CB-CZ2 3.75Å; N96-W98 VanDerWaalsContact CB-NE1 3.32Å; N96-W98 VanDerWaalsContact O-CD1 3.27Å; N96-W98 PolarHBondContact O-N 2.86Å; W98-F199 HydrophobicContact CH2-CB 4.42Å; W98-L202 HydrophobicContact CZ3-CB 4.47Å; W98-L202 HydrophobicContact CZ3-CD2 4.39Å; W98-L202 HydrophobicContact CZ3-CG 4.32Å; W98-E203 HydrophobicContact CD2-CB 4.29Å; W98-E203 HydrophobicContact CD2-CG 4.28Å; W98-E203 HydrophobicContact CE3-CB 4.23Å; W98-E203 HydrophobicContact CH2-CB 3.73Å; W98-E203 HydrophobicContact CH2-CG 4.36Å; W98-E203 HydrophobicContact CZ2-CB 3.78Å; W98-E203 HydrophobicContact CZ2-CG 3.89Å; W98-E203 HydrophobicContact CZ3-CB 3.95Å; W98-L206 HydrophobicContact CB-CD1 4.17Å; W98-L206 HydrophobicContact CE3-CD1 4.16Å
99P91.3Very high87.1Confident1 Ų154.6 Ų54.61%0.00630%0.299CS..PPolyproline II helixtrans-58.9146.9176.425.6-36.1000111.8L206 K207 Q210 H225 I228P99-L206 HydrophobicContact CG-CB 4.09Å; P99-K207 HydrophobicContact CG-CG 4.16Å; P99-Q210 HydrophobicContact CB-CG 3.97Å; P99-Q210 HydrophobicContact CG-CG 4.11Å; P99-H225 VanDerWaalsContact CA-CD2 3.49Å; P99-H225 WeakPolarHBondContact CA-CD2 3.42Å; P99-H225 HydrophobicContact CB-CB 3.82Å; P99-H225 HydrophobicContact CG-CB 4.36Å; P99-I228 HydrophobicContact CG-CD1 4.19Å
100V91Very high86.2Confident94 Ų9458.2 Ų58.257%0.5732%0.318SS*.PPolyproline II helixtrans-64.2152.3167.4-61.40000111.1
101C91.2Very high85.1Confident10 Ų1054.1 Ų54.17%0.06830%0.301CS..PPolyproline II helixtrans-70138.3174.8-177.70000109.9S103 C189 T191 H205 L206 Q209C101-S103 PolarHBondContact SG-N 3.49Å; C101-C189 WeakPolarHBondContact CB-SG 3.43Å; C101-T191 HydrophobicContact CB-CG2 4.11Å; C101-H205 PolarHBondContact SG-NE2 3.06Å; C101-H205 VanDerWaalsContact SG-NE2 3.37Å; C101-L206 HydrophobicContact CB-CD2 3.63Å; C101-Q209 VanDerWaalsContact CA-OE1 3.32Å; C101-Q209 PolarHBondContact SG-NE2 3.33Å; C101-Q209 PolarHBondContact SG-OE1 2.83Å
102L87.2Confident83.9Confident89 Ų8952.6 Ų52.647%0.46630%0.296SS..  trans-98.23.8179.3-57.7-178.1000113.2Q209 L213L102-Q209 HydrophobicContact CB-CB 4.4Å; L102-Q209 HydrophobicContact CD1-CB 4.29Å; L102-Q209 HydrophobicContact CG-CB 4.43Å; L102-L213 HydrophobicContact CD1-CD1 3.67Å; L102-L213 HydrophobicContact CD1-CG 4.47Å
103S85.2Confident82.8Confident44 Ų4461 Ų6131%0.30834%0.335SS..SBendtrans-78.4157174.3-710000110.8C101 Q209C101-S103 PolarHBondContact SG-N 3.49Å; S103-Q209 PolarHBondContact OG-NE2 2.97Å
104D80.1Confident81.9Confident105 Ų10561.2 Ų61.256%0.56134%0.336SS*.  trans-67.6155.8171.356.61.5000111.7V106D104-V106 HydrophobicContact CB-CG2 4.31Å
105S79Confident81.1Confident84 Ų8461 Ų6159%0.58734%0.344SS*.SBendtrans-90.9-2.1179.553.70000113.4S107 C108 T191S105-S107 PolarHBondContact O-N 3.24Å; S105-C108 WeakPolarHBondContact O-CB 3.44Å; S105-C108 PolarHBondContact O-N 2.92Å; S105-T191 WeakPolarHBondContact CA-O 3.29Å
106V73.1Confident80.8Confident107 Ų10761.5 Ų61.565%0.64835%0.351SS*.THydrogen-bonded Turntrans-58.2-36-171.8-179.20000112.3D104D104-V106 HydrophobicContact CB-CG2 4.31Å
107S70Confident80.7Confident15 Ų1563 Ų6311%0.10536%0.356CS..THydrogen-bonded Turntrans-97.96-178.855.80000114.4S105 N109 L110 L358S105-S107 PolarHBondContact O-N 3.24Å; S107-N109 PolarHBondContact O-N 3.4Å; S107-N109 VanDerWaalsContact O-N 3.15Å; S107-L110 PolarHBondContact O-N 3.35Å; S107-L358 WeakPolarHBondContact OG-CD2 3.47Å
108C78.9Confident80.6Confident15 Ų1559.1 Ų59.110%0.10133%0.334CS..THydrogen-bonded Turntrans-61.9-28.1-169.6-174.50000114.2S105 T191 G193S105-C108 WeakPolarHBondContact O-CB 3.44Å; S105-C108 PolarHBondContact O-N 2.92Å; C108-T191 PolarHBondContact SG-O 3.46Å; C108-G193 VanDerWaalsContact SG-CA 3.51Å; C108-G193 PolarHBondContact SG-N 2.88Å
109N78.6Confident80.4Confident46 Ų4663 Ų6325%0.24635%0.353CS..THydrogen-bonded Turntrans-111.54.3-172.4-68.4-17.1000114I59 C60 H79 K86 S107 I111I59-N109 HydrophobicContact CG2-CB 4.03Å; I59-N109 VanDerWaalsContact O-CB 3.32Å; I59-N109 WeakPolarHBondContact O-CB 3.44Å; I59-N109 PolarHBondContact O-ND2 2.81Å; I59-N109 VanDerWaalsContact O-ND2 3.09Å; C60-N109 HydrophobicContact CB-CB 4.34Å; C60-N109 WeakPolarHBondContact CB-O 3.37Å; H79-N109 PolarHBondContact CE1-O 3.12Å; K86-N109 PolarHBondContact NZ-OD1 2.91Å; S107-N109 PolarHBondContact O-N 3.4Å; S107-N109 VanDerWaalsContact O-N 3.15Å; N109-I111 PolarHBondContact O-N 2.9Å
110L74.7Confident80.4Confident76 Ų7663.6 Ų63.640%0.39836%0.357SS..  trans-71.7130.9-178.1-63.9176.2000110.8S107 P359S107-L110 PolarHBondContact O-N 3.35Å; L110-P359 HydrophobicContact CB-CB 4.49Å; L110-P359 HydrophobicContact CB-CG 3.67Å; L110-P359 HydrophobicContact CD1-CB 3.65Å; L110-P359 HydrophobicContact CD1-CG 3.65Å; L110-P359 HydrophobicContact CG-CG 4.31Å
111I70.7Confident80.3Confident32 Ų3260.1 Ų60.116%0.16434%0.34CS..  trans-107.4142.3179.2-59.8-178.6000108.8F78 H79 N109 L114F78-I111 HydrophobicContact CB-CD1 4.06Å; F78-I111 HydrophobicContact CB-CG2 4.29Å; F78-I111 HydrophobicContact CD1-CB 4.13Å; F78-I111 HydrophobicContact CD1-CD1 3.6Å; F78-I111 HydrophobicContact CD1-CG1 3.62Å; F78-I111 HydrophobicContact CD1-CG2 3.46Å; F78-I111 VanDerWaalsContact CD1-CG2 3.46Å; F78-I111 HydrophobicContact CD2-CG2 4.28Å; F78-I111 HydrophobicContact CE1-CB 4.29Å; F78-I111 HydrophobicContact CE1-CD1 4.47Å; F78-I111 HydrophobicContact CE1-CG1 4Å; F78-I111 HydrophobicContact CE1-CG2 3.71Å; F78-I111 HydrophobicContact CE2-CG2 4.45Å; F78-I111 HydrophobicContact CG-CD1 4.18Å; F78-I111 HydrophobicContact CG-CG2 3.76Å; F78-I111 HydrophobicContact CZ-CG2 4.2Å; H79-I111 HydrophobicContact CB-CD1 4.4Å; H79-I111 WeakPolarHBondContact CD2-CD1 3.49Å; H79-I111 WeakPolarHBondContact CE1-CD1 3.3Å; H79-I111 WeakPolarHBondContact NE2-CD1 3.32Å; N109-I111 PolarHBondContact O-N 2.9Å; I111-L114 HydrophobicContact CG2-CD1 4.27Å
112P68.8Low80.3Confident24 Ų2460 Ų6016%0.15634%0.338CS..  trans-58.7157.9166.9-24.936000113.7L114 Q354 A355P112-L114 PolarHBondContact O-N 3.27Å; P112-Q354 HydrophobicContact CB-CB 3.64Å; P112-Q354 HydrophobicContact CG-CB 3.81Å; P112-A355 HydrophobicContact CG-CB 3.57Å; P112-A355 VanDerWaalsContact CG-N 3.28Å
113E67.6Low80.5Confident186 Ų18660 Ų6087%0.86934%0.336SS*.  trans-65.9125.4166-66.8178.3-171.500110.3P115E113-P115 WeakPolarHBondContact O-CD 3.3Å
114L73.7Confident80.7Confident27 Ų2767.9 Ų67.914%0.14136%0.36CS..  trans-124.173.6178.9-64.3170.7000108.9R74 F78 I111 P112 T116 F118R74-L114 PolarHBondContact NE-O 2.97Å; R74-L114 PolarHBondContact NH2-O 3.36Å; F78-L114 HydrophobicContact CB-CD1 4.42Å; F78-L114 HydrophobicContact CD2-CD1 3.42Å; F78-L114 VanDerWaalsContact CD2-CD1 3.42Å; F78-L114 HydrophobicContact CE2-CD1 3.83Å; F78-L114 HydrophobicContact CG-CD1 4.13Å; I111-L114 HydrophobicContact CG2-CD1 4.27Å; P112-L114 PolarHBondContact O-N 3.27Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 3.28Å; L114-F118 HydrophobicContact CD1-CZ 3.86Å; L114-F118 HydrophobicContact CD2-CE1 4.04Å; L114-F118 HydrophobicContact CD2-CZ 4.15Å
115P74.8Confident81.4Confident101 Ų10164 Ų6466%0.65634%0.341SS*.  trans-73-21.6-171.329-35.7000113.5R74 E113R74-P115 VanDerWaalsContact NH2-C 3.27Å; R74-P115 PolarHBondContact NH2-O 2.79Å; E113-P115 WeakPolarHBondContact O-CD 3.3Å
116T85.2Confident82.1Confident94 Ų9467.3 Ų67.358%0.57735%0.352SS*.SBendtrans-122.2162.2-17860.80000111.5R74 L114R74-T116 VanDerWaalsContact CD-O 3.22Å; R74-T116 WeakPolarHBondContact CD-O 3.39Å; R74-T116 PolarHBondContact NE-O 2.85Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 3.28Å
117K88.7Confident83.1Confident75 Ų7565.2 Ų65.233%0.32634%0.335SS..  trans-59.4152.5172-53.1-163.9175.1-178.60110D70 E119 K128 N130D70-K117 WeakPolarHBondContact OD1-CE 3.46Å; D70-K117 IonicContact OD1-NZ 3.16Å; D70-K117 PolarHBondContact OD1-NZ 2.84Å; D70-K117 WeakPolarHBondContact OD2-CE 3.34Å; D70-K117 IonicContact OD2-NZ 3.06Å; D70-K117 PolarHBondContact OD2-NZ 3.11Å; K117-E119 WeakPolarHBondContact O-CG 3.45Å; K117-E119 PolarHBondContact O-N 2.89Å; K117-K128 HydrophobicContact CB-CB 4.38Å; K117-N130 WeakPolarHBondContact CG-OD1 3.48Å
118F90.2Very high84.3Confident5 Ų569.8 Ų69.82%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-71.9120.8169-60.1-75.3000108.4L114 K128 T129 V132 F135 P351 L352L114-F118 HydrophobicContact CD1-CZ 3.86Å; L114-F118 HydrophobicContact CD2-CE1 4.04Å; L114-F118 HydrophobicContact CD2-CZ 4.15Å; F118-K128 CarbonylContact O-C 3.59Å; F118-K128 VanDerWaalsContact O-CA 3.26Å; F118-K128 WeakPolarHBondContact O-CA 3.41Å; F118-T129 HydrophobicContact CB-CG2 4.37Å; F118-T129 WeakPolarHBondContact CD2-O 3.42Å; F118-T129 PolarHBondContact N-O 3.44Å; F118-T129 PolarHBondContact O-N 3.18Å; F118-V132 HydrophobicContact CD2-CB 4.48Å; F118-V132 HydrophobicContact CE1-CG2 4.49Å; F118-V132 HydrophobicContact CE2-CB 3.81Å; F118-V132 HydrophobicContact CZ-CB 3.87Å; F118-V132 HydrophobicContact CZ-CG2 4.18Å; F118-F135 HydrophobicContact CB-CB 3.89Å; F118-F135 HydrophobicContact CB-CD1 3.98Å; F118-F135 HydrophobicContact CB-CD2 3.8Å; F118-F135 HydrophobicContact CB-CE1 4.46Å; F118-F135 HydrophobicContact CB-CE2 4.31Å; F118-F135 HydrophobicContact CB-CG 3.61Å; F118-F135 HydrophobicContact CD1-CD1 4.38Å; F118-F135 HydrophobicContact CG-CB 4.35Å; F118-F135 HydrophobicContact CG-CD1 4.33Å; F118-F135 HydrophobicContact CG-CG 4.3Å; F118-P351 HydrophobicContact CD1-CB 3.6Å; F118-P351 HydrophobicContact CD1-CG 3.74Å; F118-P351 HydrophobicContact CE1-CB 3.83Å; F118-P351 HydrophobicContact CE1-CG 4.22Å; F118-L352 HydrophobicContact CE1-CD2 4.05Å; F118-L352 HydrophobicContact CZ-CD2 4.41Å
119E89.4Confident85.1Confident92 Ų9270.3 Ų70.343%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-114.1135.8-176.1-45.9-162.9160.900110.3K117 K128 F135K117-E119 WeakPolarHBondContact O-CG 3.45Å; K117-E119 PolarHBondContact O-N 2.89Å; E119-K128 HydrophobicContact CB-CG 4.17Å; E119-K128 HydrophobicContact CG-CD 3.94Å; E119-K128 HydrophobicContact CG-CG 3.9Å; E119-K128 WeakPolarHBondContact OE1-CD 3.37Å; E119-K128 VanDerWaalsContact OE1-CE 3.29Å; E119-K128 WeakPolarHBondContact OE1-CE 3.38Å; E119-K128 IonicContact OE1-NZ 2.66Å; E119-K128 PolarHBondContact OE1-NZ 2.97Å; E119-K128 VanDerWaalsContact OE2-CE 3.32Å; E119-K128 WeakPolarHBondContact OE2-CE 3.47Å; E119-K128 IonicContact OE2-NZ 3.84Å; E119-K128 PolarHBondContact OE2-NZ 3.01Å; E119-F135 WeakPolarHBondContact O-CE2 3.36Å
120C90.1Very high85.8Confident14 Ų1468.7 Ų68.710%0.09535%0.347CS..  trans-75132.3173.9-165.60000109.9W122 C125 F127 F135 H142C120-W122 VanDerWaalsContact SG-CB 3.58Å; C120-C125 HydrophobicContact CB-CB 4.26Å; C120-F127 HydrophobicContact CB-CB 4.13Å; C120-F127 PolarHBondContact N-O 2.93Å; C120-F135 HydrophobicContact CB-CE2 4.45Å; C120-H142 PolarHBondContact SG-NE2 3.47Å
121G89.5Confident86.6Confident21 Ų2165.4 Ų65.422%0.21633%0.329CS..  trans-99.112.5175.200000113.4W161 E162G121-W161 VanDerWaalsContact N-CZ2 3.3Å; G121-W161 CarbonylContact O-C 3.55Å; G121-W161 VanDerWaalsContact O-CA 3.29Å; G121-W161 WeakPolarHBondContact O-CA 3.42Å; G121-E162 PolarHBondContact O-N 3.48Å
122W91.4Very high87.6Confident8 Ų863.9 Ų63.93%0.0332%0.322CS..BIsolated β-bridgetrans-74.3141.3176.1-167.1-92.4000110.3C120 Y124 C125 H142 E145 Y146 L160 W161 L174 L178C120-W122 VanDerWaalsContact SG-CB 3.58Å; W122-Y124 PolarHBondContact O-N 3.38Å; W122-C125 HydrophobicContact CB-CB 3.98Å; W122-C125 VanDerWaalsContact O-CB 3.3Å; W122-C125 WeakPolarHBondContact O-CB 3.36Å; W122-C125 PolarHBondContact O-N 3.15Å; W122-H142 WeakPolarHBondContact CB-NE2 3.41Å; W122-H142 AromaticContact CD1-CE1 3.48Å; W122-H142 VanDerWaalsContact CD1-CE1 3.48Å; W122-H142 AromaticContact CD1-CG 3.83Å; W122-H142 AromaticContact CD1-ND1 3.31Å; W122-H142 VanDerWaalsContact CD1-ND1 3.31Å; W122-H142 HydrophobicContact CD2-CB 3.78Å; W122-H142 AromaticContact CD2-CD2 3.95Å; W122-H142 AromaticContact CD2-CG 3.62Å; W122-H142 AromaticContact CD2-ND1 3.93Å; W122-H142 AromaticContact CE2-CG 3.84Å; W122-H142 AromaticContact CE2-ND1 3.92Å; W122-H142 HydrophobicContact CE3-CB 4.04Å; W122-H142 HydrophobicContact CG-CB 4.3Å; W122-H142 AromaticContact CG-CD2 3.71Å; W122-H142 AromaticContact CG-CE1 3.59Å; W122-H142 AromaticContact CG-CG 3.62Å; W122-H142 AromaticContact CG-ND1 3.54Å; W122-H142 AromaticContact CG-NE2 3.72Å; W122-H142 HydrophobicContact CH2-CB 4.21Å; W122-H142 HydrophobicContact CZ2-CB 3.94Å; W122-H142 HydrophobicContact CZ3-CB 4.26Å; W122-H142 AromaticContact NE1-CG 3.9Å; W122-H142 AromaticContact NE1-ND1 3.49Å; W122-H142 PolarHBondContact NE1-ND1 3.45Å; W122-E145 PolarHBondContact NE1-OE2 2.8Å; W122-Y146 HydrophobicContact CH2-CE2 4.49Å; W122-Y146 HydrophobicContact CZ2-CE2 4.35Å; W122-L160 HydrophobicContact CD2-CB 4.01Å; W122-L160 HydrophobicContact CE3-CB 4.35Å; W122-L160 HydrophobicContact CH2-CB 4.22Å; W122-L160 HydrophobicContact CH2-CG 4.31Å; W122-L160 HydrophobicContact CZ2-CB 3.88Å; W122-L160 HydrophobicContact CZ2-CD1 4Å; W122-L160 HydrophobicContact CZ2-CG 3.89Å; W122-L160 HydrophobicContact CZ3-CB 4.43Å; W122-W161 HydrophobicContact CE3-CE3 4.45Å; W122-L174 HydrophobicContact CH2-CD2 4.34Å; W122-L178 HydrophobicContact CE3-CD2 4.11Å; W122-L178 HydrophobicContact CZ3-CD1 4.38Å; W122-L178 HydrophobicContact CZ3-CD2 3.81Å
123E90.3Very high88.8Confident90 Ų9064 Ų6442%0.42132%0.323SS..THydrogen-bonded Turntrans-52131.7-180-161.5-177.4-172.900111.5C125 L160E123-C125 PolarHBondContact O-N 3.4Å; E123-L160 HydrophobicContact CB-CB 3.88Å; E123-L160 PolarHBondContact N-O 3.09Å
124Y91Very high90.1Very high208 Ų20858 Ų5882%0.81630%0.299SS*.THydrogen-bonded Turntrans59.619.6-178.3-46.2-60.4000115.6W122W122-Y124 PolarHBondContact O-N 3.38Å
125C93.2Very high91.1Very high23 Ų2356.8 Ų56.816%0.15529%0.292CS..  trans-107.3104.3176.4-170.10000111.7C120 W122 E123 F127 H138C120-C125 HydrophobicContact CB-CB 4.26Å; W122-C125 HydrophobicContact CB-CB 3.98Å; W122-C125 VanDerWaalsContact O-CB 3.3Å; W122-C125 WeakPolarHBondContact O-CB 3.36Å; W122-C125 PolarHBondContact O-N 3.15Å; E123-C125 PolarHBondContact O-N 3.4Å; C125-F127 PolarHBondContact O-N 2.96Å; C125-F127 VanDerWaalsContact SG-CB 3.55Å; C125-H138 PolarHBondContact SG-CE1 3.17Å; C125-H138 PolarHBondContact SG-NE2 2.83Å
126D94.1Very high91.9Very high154 Ų15453 Ų5382%0.82427%0.267SS*.  trans-85.819.1177.1-61.9-44.6000113.3K128D126-K128 PolarHBondContact O-N 2.8Å
127F95.2Very high92.3Very high64 Ų6452 Ų5228%0.28126%0.26SS..  trans-70.6125.7-173.4-173.5-96000112.1C120 C125 T129 V134 H138C120-F127 HydrophobicContact CB-CB 4.13Å; C120-F127 PolarHBondContact N-O 2.93Å; C125-F127 PolarHBondContact O-N 2.96Å; C125-F127 VanDerWaalsContact SG-CB 3.55Å; F127-T129 HydrophobicContact CE1-CG2 3.72Å; F127-T129 HydrophobicContact CZ-CG2 4.28Å; F127-V134 HydrophobicContact CE1-CG1 4.37Å; F127-V134 HydrophobicContact CZ-CG1 3.8Å; F127-H138 WeakPolarHBondContact CB-CE1 3.45Å; F127-H138 VanDerWaalsContact CB-NE2 3.32Å; F127-H138 WeakPolarHBondContact CB-NE2 3.49Å; F127-H138 HydrophobicContact CD1-CB 3.96Å; F127-H138 AromaticContact CD1-CD2 3.34Å; F127-H138 WeakPolarHBondContact CD1-CD2 3.44Å; F127-H138 AromaticContact CD1-CE1 3.93Å; F127-H138 AromaticContact CD1-CG 3.38Å; F127-H138 AromaticContact CD1-ND1 3.75Å; F127-H138 AromaticContact CD1-NE2 3.71Å; F127-H138 AromaticContact CD2-CE1 3.87Å; F127-H138 AromaticContact CD2-ND1 3.68Å; F127-H138 HydrophobicContact CE1-CB 3.66Å; F127-H138 AromaticContact CE1-CD2 3.98Å; F127-H138 AromaticContact CE1-CG 3.62Å; F127-H138 AromaticContact CG-CD2 3.69Å; F127-H138 AromaticContact CG-CE1 3.44Å; F127-H138 VanDerWaalsContact CG-CE1 3.44Å; F127-H138 WeakPolarHBondContact CG-CE1 3.43Å; F127-H138 AromaticContact CG-CG 3.68Å; F127-H138 AromaticContact CG-ND1 3.51Å; F127-H138 AromaticContact CG-NE2 3.55Å; F127-H138 HydrophobicContact CZ-CB 4.05Å
128K94.2Very high92.7Very high111 Ų11150.4 Ų50.448%0.48325%0.254SS..EExtended strand (participates in β ladder)trans-133.6142.1176.6-56.3-174.3-179.8-156.60110.8K117 F118 E119 D126K117-K128 HydrophobicContact CB-CB 4.38Å; F118-K128 CarbonylContact O-C 3.59Å; F118-K128 VanDerWaalsContact O-CA 3.26Å; F118-K128 WeakPolarHBondContact O-CA 3.41Å; E119-K128 HydrophobicContact CB-CG 4.17Å; E119-K128 HydrophobicContact CG-CD 3.94Å; E119-K128 HydrophobicContact CG-CG 3.9Å; E119-K128 WeakPolarHBondContact OE1-CD 3.37Å; E119-K128 VanDerWaalsContact OE1-CE 3.29Å; E119-K128 WeakPolarHBondContact OE1-CE 3.38Å; E119-K128 IonicContact OE1-NZ 2.66Å; E119-K128 PolarHBondContact OE1-NZ 2.97Å; E119-K128 VanDerWaalsContact OE2-CE 3.32Å; E119-K128 WeakPolarHBondContact OE2-CE 3.47Å; E119-K128 IonicContact OE2-NZ 3.84Å; E119-K128 PolarHBondContact OE2-NZ 3.01Å; D126-K128 PolarHBondContact O-N 2.8Å
129T95.2Very high92.8Very high26 Ų2650.2 Ų50.216%0.1625%0.253CS..EExtended strand (participates in β ladder)trans-153.7155.8178.1-173.40000112.9F118 F127 D131 V134 F135F118-T129 HydrophobicContact CB-CG2 4.37Å; F118-T129 WeakPolarHBondContact CD2-O 3.42Å; F118-T129 PolarHBondContact N-O 3.44Å; F118-T129 PolarHBondContact O-N 3.18Å; F127-T129 HydrophobicContact CE1-CG2 3.72Å; F127-T129 HydrophobicContact CZ-CG2 4.28Å; T129-D131 VanDerWaalsContact CG2-O 3.29Å; T129-D131 WeakPolarHBondContact CG2-O 3.48Å; T129-D131 PolarHBondContact OG1-N 3.08Å; T129-D131 VanDerWaalsContact OG1-N 3.15Å; T129-V134 HydrophobicContact CG2-CB 4.49Å; T129-V134 HydrophobicContact CG2-CG1 4.44Å; T129-F135 HydrophobicContact CG2-CB 3.64Å
130N93Very high93Very high12 Ų1248.1 Ų48.16%0.06425%0.249CC..SBendtrans-84-15.1169.3-69.4-26.2000112.6D70 E73 R74 F77 K117D70-N130 PolarHBondContact OD1-ND2 3.08Å; E73-N130 HydrophobicContact CB-CB 4.28Å; E73-N130 PolarHBondContact OE2-ND2 2.94Å; R74-N130 HydrophobicContact CB-CB 4.47Å; R74-N130 WeakPolarHBondContact CD-OD1 3.32Å; R74-N130 HydrophobicContact CG-CB 3.45Å; R74-N130 VanDerWaalsContact CG-CB 3.45Å; R74-N130 VanDerWaalsContact CG-OD1 3.24Å; R74-N130 WeakPolarHBondContact CG-OD1 3.4Å; R74-N130 PolarHBondContact NH1-OD1 2.86Å; F77-N130 HydrophobicContact CD2-CB 4.21Å; F77-N130 HydrophobicContact CE2-CB 4.33Å; K117-N130 WeakPolarHBondContact CG-OD1 3.48Å
131D93Very high93.2Very high6 Ų652.9 Ų52.93%0.03227%0.268CS..  trans-98.5112.3-174.3-176.1-25.3000111.2K34 F77 T129 S133 V134 F135K34-D131 WeakPolarHBondContact CD-OD2 3.46Å; K34-D131 WeakPolarHBondContact CE-OD2 3.14Å; K34-D131 IonicContact NZ-OD2 3.81Å; K34-D131 PolarHBondContact NZ-OD2 3.4Å; F77-D131 HydrophobicContact CD2-CB 3.85Å; F77-D131 HydrophobicContact CE2-CB 4.4Å; F77-D131 HydrophobicContact CG-CB 4.34Å; T129-D131 VanDerWaalsContact CG2-O 3.29Å; T129-D131 WeakPolarHBondContact CG2-O 3.48Å; T129-D131 PolarHBondContact OG1-N 3.08Å; T129-D131 VanDerWaalsContact OG1-N 3.15Å; D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.2Å; D131-S133 WeakPolarHBondContact OD1-CA 3.44Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.4Å; D131-S133 PolarHBondContact OD1-N 3.12Å; D131-S133 PolarHBondContact OD1-OG 2.69Å; D131-V134 HydrophobicContact CB-CB 3.92Å; D131-V134 HydrophobicContact CB-CG2 3.82Å; D131-V134 PolarHBondContact O-N 2.83Å; D131-V134 PolarHBondContact OD1-N 2.92Å; D131-V134 WeakPolarHBondContact OD2-CG2 3.33Å; D131-F135 PolarHBondContact O-N 2.99Å
132V91.4Very high93.3Very high1 Ų152.4 Ų52.41%0.00626%0.26CS..Hα-helixtrans-58.4-35.8179.163.80000113W81 F118 F135 I136 L352W81-V132 HydrophobicContact CB-CG1 3.54Å; W81-V132 HydrophobicContact CD2-CG1 3.66Å; W81-V132 HydrophobicContact CD2-CG2 4.42Å; W81-V132 HydrophobicContact CE3-CG1 3.95Å; W81-V132 HydrophobicContact CE3-CG2 4.45Å; W81-V132 HydrophobicContact CG-CG1 3.49Å; W81-V132 VanDerWaalsContact CG-CG1 3.49Å; F118-V132 HydrophobicContact CD2-CB 4.48Å; F118-V132 HydrophobicContact CE1-CG2 4.49Å; F118-V132 HydrophobicContact CE2-CB 3.81Å; F118-V132 HydrophobicContact CZ-CB 3.87Å; F118-V132 HydrophobicContact CZ-CG2 4.18Å; V132-F135 PolarHBondContact O-N 3.36Å; V132-I136 HydrophobicContact CG2-CD1 3.93Å; V132-I136 WeakPolarHBondContact O-CD1 3.25Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.26Å; V132-I136 PolarHBondContact O-N 2.99Å; V132-L352 HydrophobicContact CG2-CD1 3.79Å; V132-L352 HydrophobicContact CG2-CD2 3.94Å; V132-L352 HydrophobicContact CG2-CG 4.38Å
133S92.9Very high93.3Very high26 Ų2652.1 Ų52.118%0.18226%0.259CS..Hα-helixtrans-70.7-41.3-179.1-49.10000110.5D131 T137D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.2Å; D131-S133 WeakPolarHBondContact OD1-CA 3.44Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.4Å; D131-S133 PolarHBondContact OD1-N 3.12Å; D131-S133 PolarHBondContact OD1-OG 2.69Å; S133-T137 WeakPolarHBondContact O-CB 3.31Å; S133-T137 PolarHBondContact O-N 3.49Å; S133-T137 PolarHBondContact O-OG1 3.45Å
134V95.2Very high93.2Very high60 Ų6053.3 Ų53.336%0.36427%0.265SS..Hα-helixtrans-65.2-43.4174.8174.40000110.3F127 T129 D131 T137 H138F127-V134 HydrophobicContact CE1-CG1 4.37Å; F127-V134 HydrophobicContact CZ-CG1 3.8Å; T129-V134 HydrophobicContact CG2-CB 4.49Å; T129-V134 HydrophobicContact CG2-CG1 4.44Å; D131-V134 HydrophobicContact CB-CB 3.92Å; D131-V134 HydrophobicContact CB-CG2 3.82Å; D131-V134 PolarHBondContact O-N 2.83Å; D131-V134 PolarHBondContact OD1-N 2.92Å; D131-V134 WeakPolarHBondContact OD2-CG2 3.33Å; V134-T137 PolarHBondContact O-N 2.9Å; V134-H138 VanDerWaalsContact O-CB 3.28Å; V134-H138 WeakPolarHBondContact O-CB 3.18Å; V134-H138 PolarHBondContact O-N 2.89Å
135F94.3Very high92.9Very high1 Ų147.7 Ų47.70%0.00425%0.246CC..Hα-helixtrans-58.3-51.3175.8175.4-114.5000112.4F118 E119 C120 T129 D131 V132 T137 H138 V139 W161 T182 P351F118-F135 HydrophobicContact CB-CB 3.89Å; F118-F135 HydrophobicContact CB-CD1 3.98Å; F118-F135 HydrophobicContact CB-CD2 3.8Å; F118-F135 HydrophobicContact CB-CE1 4.46Å; F118-F135 HydrophobicContact CB-CE2 4.31Å; F118-F135 HydrophobicContact CB-CG 3.61Å; F118-F135 HydrophobicContact CD1-CD1 4.38Å; F118-F135 HydrophobicContact CG-CB 4.35Å; F118-F135 HydrophobicContact CG-CD1 4.33Å; F118-F135 HydrophobicContact CG-CG 4.3Å; E119-F135 WeakPolarHBondContact O-CE2 3.36Å; C120-F135 HydrophobicContact CB-CE2 4.45Å; T129-F135 HydrophobicContact CG2-CB 3.64Å; D131-F135 PolarHBondContact O-N 2.99Å; V132-F135 PolarHBondContact O-N 3.36Å; F135-T137 VanDerWaalsContact C-N 3.3Å; F135-T137 PolarHBondContact O-N 2.77Å; F135-H138 PolarHBondContact O-N 3.03Å; F135-V139 HydrophobicContact CD2-CG2 4.12Å; F135-V139 HydrophobicContact CE1-CG2 4.45Å; F135-V139 HydrophobicContact CE2-CG2 3.69Å; F135-V139 HydrophobicContact CZ-CG2 3.89Å; F135-V139 WeakPolarHBondContact O-CG2 3.45Å; F135-V139 PolarHBondContact O-N 3.31Å; F135-W161 HydrophobicContact CZ-CH2 4.05Å; F135-T182 HydrophobicContact CD1-CG2 4.39Å; F135-T182 HydrophobicContact CE1-CG2 3.83Å; F135-T182 HydrophobicContact CZ-CG2 4.32Å; F135-P351 HydrophobicContact CE1-CG 3.81Å; F135-P351 HydrophobicContact CZ-CG 4.39Å
136I93.1Very high92.5Very high22 Ų2248 Ų4811%0.11324%0.244CC..Hα-helixtrans-58.6-45.5178.1-70.8164000110.6W81 V132 V139 S140 T184 L352W81-I136 HydrophobicContact CZ2-CD1 3.86Å; V132-I136 HydrophobicContact CG2-CD1 3.93Å; V132-I136 WeakPolarHBondContact O-CD1 3.25Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.26Å; V132-I136 PolarHBondContact O-N 2.99Å; I136-V139 PolarHBondContact O-N 3.01Å; I136-S140 WeakPolarHBondContact O-CB 3.3Å; I136-S140 PolarHBondContact O-N 3.01Å; I136-T184 WeakPolarHBondContact CG2-OG1 3.36Å; I136-L352 HydrophobicContact CD1-CD1 4.46Å
137T94Very high92Very high73 Ų7345.3 Ų45.345%0.44823%0.233SC..Hα-helixtrans-64.5-43.6-179.7-58.60000111.2S133 V134 F135 S140 K141S133-T137 WeakPolarHBondContact O-CB 3.31Å; S133-T137 PolarHBondContact O-N 3.49Å; S133-T137 PolarHBondContact O-OG1 3.45Å; V134-T137 PolarHBondContact O-N 2.9Å; F135-T137 VanDerWaalsContact C-N 3.3Å; F135-T137 PolarHBondContact O-N 2.77Å; T137-S140 PolarHBondContact O-N 3.37Å; T137-S140 PolarHBondContact O-OG 3.16Å; T137-K141 WeakPolarHBondContact O-CG 3.38Å
138H95.1Very high91.4Very high41 Ų4144.7 Ų44.719%0.1923%0.233CC..Hα-helixtrans-57.3-55.5175.1165.682.6000111C125 F127 V134 F135 S140 K141 H142C125-H138 PolarHBondContact SG-CE1 3.17Å; C125-H138 PolarHBondContact SG-NE2 2.83Å; F127-H138 WeakPolarHBondContact CB-CE1 3.45Å; F127-H138 VanDerWaalsContact CB-NE2 3.32Å; F127-H138 WeakPolarHBondContact CB-NE2 3.49Å; F127-H138 HydrophobicContact CD1-CB 3.96Å; F127-H138 AromaticContact CD1-CD2 3.34Å; F127-H138 WeakPolarHBondContact CD1-CD2 3.44Å; F127-H138 AromaticContact CD1-CE1 3.93Å; F127-H138 AromaticContact CD1-CG 3.38Å; F127-H138 AromaticContact CD1-ND1 3.75Å; F127-H138 AromaticContact CD1-NE2 3.71Å; F127-H138 AromaticContact CD2-CE1 3.87Å; F127-H138 AromaticContact CD2-ND1 3.68Å; F127-H138 HydrophobicContact CE1-CB 3.66Å; F127-H138 AromaticContact CE1-CD2 3.98Å; F127-H138 AromaticContact CE1-CG 3.62Å; F127-H138 AromaticContact CG-CD2 3.69Å; F127-H138 AromaticContact CG-CE1 3.44Å; F127-H138 VanDerWaalsContact CG-CE1 3.44Å; F127-H138 WeakPolarHBondContact CG-CE1 3.43Å; F127-H138 AromaticContact CG-CG 3.68Å; F127-H138 AromaticContact CG-ND1 3.51Å; F127-H138 AromaticContact CG-NE2 3.55Å; F127-H138 HydrophobicContact CZ-CB 4.05Å; V134-H138 VanDerWaalsContact O-CB 3.28Å; V134-H138 WeakPolarHBondContact O-CB 3.18Å; V134-H138 PolarHBondContact O-N 2.89Å; F135-H138 PolarHBondContact O-N 3.03Å; H138-S140 PolarHBondContact O-N 3.47Å; H138-K141 WeakPolarHBondContact O-CB 3.38Å; H138-K141 PolarHBondContact O-N 2.93Å; H138-H142 AromaticContact CE1-NE2 4Å; H138-H142 AromaticContact NE2-CE1 3.98Å; H138-H142 AromaticContact NE2-NE2 3.34Å; H138-H142 PolarHBondContact NE2-NE2 2.87Å
139V93.5Very high90.8Very high1 Ų145 Ų451%0.00625%0.249CC..Hα-helixtrans-58.9-38.1-178.1170.40000111.4F135 I136 K141 H142 W161 L178 T182F135-V139 HydrophobicContact CD2-CG2 4.12Å; F135-V139 HydrophobicContact CE1-CG2 4.45Å; F135-V139 HydrophobicContact CE2-CG2 3.69Å; F135-V139 HydrophobicContact CZ-CG2 3.89Å; F135-V139 WeakPolarHBondContact O-CG2 3.45Å; F135-V139 PolarHBondContact O-N 3.31Å; I136-V139 PolarHBondContact O-N 3.01Å; V139-K141 PolarHBondContact O-N 3.19Å; V139-H142 PolarHBondContact O-N 2.9Å; V139-W161 HydrophobicContact CB-CZ3 4.37Å; V139-W161 HydrophobicContact CG1-CE3 4.49Å; V139-W161 HydrophobicContact CG1-CH2 4.28Å; V139-W161 HydrophobicContact CG1-CZ3 3.57Å; V139-W161 HydrophobicContact CG2-CH2 3.87Å; V139-W161 HydrophobicContact CG2-CZ3 3.82Å; V139-L178 HydrophobicContact CG1-CB 4.02Å; V139-L178 HydrophobicContact CG1-CD1 4.13Å; V139-L178 HydrophobicContact CG1-CD2 4.29Å; V139-L178 HydrophobicContact CG1-CG 4.39Å; V139-L178 WeakPolarHBondContact O-CD1 3.31Å; V139-T182 HydrophobicContact CB-CG2 3.69Å; V139-T182 HydrophobicContact CG1-CG2 3.58Å; V139-T182 HydrophobicContact CG2-CG2 3.84Å
140S93.2Very high90.4Very high48 Ų4853.6 Ų53.634%0.33628%0.279SS..Hα-helixtrans-62.4-16.6-178.676.60000114.7I136 T137 H138 P143I136-S140 WeakPolarHBondContact O-CB 3.3Å; I136-S140 PolarHBondContact O-N 3.01Å; T137-S140 PolarHBondContact O-N 3.37Å; T137-S140 PolarHBondContact O-OG 3.16Å; H138-S140 PolarHBondContact O-N 3.47Å; S140-P143 WeakPolarHBondContact O-CD 3.32Å
141K93.6Very high89.9Confident114 Ų11457.8 Ų57.850%0.49630%0.295SS..Hα-helixtrans-89.3-20.2-179.5-65.7173.4-179.5-178.30114T137 H138 V139 P143 E144T137-K141 WeakPolarHBondContact O-CG 3.38Å; H138-K141 WeakPolarHBondContact O-CB 3.38Å; H138-K141 PolarHBondContact O-N 2.93Å; V139-K141 PolarHBondContact O-N 3.19Å; K141-P143 VanDerWaalsContact C-N 3.29Å; K141-P143 VanDerWaalsContact O-N 3.16Å; K141-E144 WeakPolarHBondContact O-CA 3.3Å; K141-E144 WeakPolarHBondContact O-CB 3.27Å; K141-E144 WeakPolarHBondContact O-CG 3.36Å; K141-E144 PolarHBondContact O-N 3.46Å
142H92.9Very high89.3Confident11 Ų1161.7 Ų61.75%0.05132%0.32CS..G310 helixtrans-50.6-39.4178.2-79.6-57000115.2C120 W122 H138 V139 E144 E145 L178C120-H142 PolarHBondContact SG-NE2 3.47Å; W122-H142 WeakPolarHBondContact CB-NE2 3.41Å; W122-H142 AromaticContact CD1-CE1 3.48Å; W122-H142 VanDerWaalsContact CD1-CE1 3.48Å; W122-H142 AromaticContact CD1-CG 3.83Å; W122-H142 AromaticContact CD1-ND1 3.31Å; W122-H142 VanDerWaalsContact CD1-ND1 3.31Å; W122-H142 HydrophobicContact CD2-CB 3.78Å; W122-H142 AromaticContact CD2-CD2 3.95Å; W122-H142 AromaticContact CD2-CG 3.62Å; W122-H142 AromaticContact CD2-ND1 3.93Å; W122-H142 AromaticContact CE2-CG 3.84Å; W122-H142 AromaticContact CE2-ND1 3.92Å; W122-H142 HydrophobicContact CE3-CB 4.04Å; W122-H142 HydrophobicContact CG-CB 4.3Å; W122-H142 AromaticContact CG-CD2 3.71Å; W122-H142 AromaticContact CG-CE1 3.59Å; W122-H142 AromaticContact CG-CG 3.62Å; W122-H142 AromaticContact CG-ND1 3.54Å; W122-H142 AromaticContact CG-NE2 3.72Å; W122-H142 HydrophobicContact CH2-CB 4.21Å; W122-H142 HydrophobicContact CZ2-CB 3.94Å; W122-H142 HydrophobicContact CZ3-CB 4.26Å; W122-H142 AromaticContact NE1-CG 3.9Å; W122-H142 AromaticContact NE1-ND1 3.49Å; W122-H142 PolarHBondContact NE1-ND1 3.45Å; H138-H142 AromaticContact CE1-NE2 4Å; H138-H142 AromaticContact NE2-CE1 3.98Å; H138-H142 AromaticContact NE2-NE2 3.34Å; H138-H142 PolarHBondContact NE2-NE2 2.87Å; V139-H142 PolarHBondContact O-N 2.9Å; H142-E144 PolarHBondContact O-N 2.7Å; H142-E144 VanDerWaalsContact O-N 3.11Å; H142-E145 IonicContact CE1-OE1 2.85Å; H142-E145 IonicContact CG-OE1 3.86Å; H142-E145 IonicContact ND1-OE1 2.89Å; H142-E145 PolarHBondContact ND1-OE1 2.92Å; H142-E145 WeakPolarHBondContact O-CB 3.42Å; H142-E145 WeakPolarHBondContact O-CG 3.44Å; H142-E145 PolarHBondContact O-N 2.97Å; H142-E145 VanDerWaalsContact O-N 3.13Å; H142-L178 HydrophobicContact CB-CD1 4.29Å
143P91.2Very high88.6Confident3 Ų371.8 Ų71.82%0.01936%0.364CS..G310 helixtrans-59.3-26.6176.8-23.735.9000113S140 K141 E145 Y146 L171 L174 L178S140-P143 WeakPolarHBondContact O-CD 3.32Å; K141-P143 VanDerWaalsContact C-N 3.29Å; K141-P143 VanDerWaalsContact O-N 3.16Å; P143-E145 PolarHBondContact O-N 3.06Å; P143-Y146 WeakPolarHBondContact O-CB 3.26Å; P143-Y146 PolarHBondContact O-N 3.09Å; P143-L171 HydrophobicContact CB-CD1 3.43Å; P143-L171 VanDerWaalsContact CB-CD1 3.43Å; P143-L171 HydrophobicContact CB-CG 4.21Å; P143-L171 WeakPolarHBondContact O-CD1 3.22Å; P143-L174 HydrophobicContact CB-CD2 4.05Å; P143-L174 HydrophobicContact CB-CG 4.28Å; P143-L174 HydrophobicContact CG-CD2 4.29Å; P143-L174 HydrophobicContact CG-CG 4.11Å; P143-L178 HydrophobicContact CG-CD1 3.49Å; P143-L178 VanDerWaalsContact CG-CD1 3.49Å
144E87.5Confident88Confident114 Ų11478 Ų7853%0.53340%0.395SS..G310 helixtrans-62.5-21.5180-58177.8175.100112.4K141 H142 Y146 T147K141-E144 WeakPolarHBondContact O-CA 3.3Å; K141-E144 WeakPolarHBondContact O-CB 3.27Å; K141-E144 WeakPolarHBondContact O-CG 3.36Å; K141-E144 PolarHBondContact O-N 3.46Å; H142-E144 PolarHBondContact O-N 2.7Å; H142-E144 VanDerWaalsContact O-N 3.11Å; E144-Y146 PolarHBondContact O-N 3.23Å; E144-Y146 VanDerWaalsContact O-N 3.16Å; E144-T147 WeakPolarHBondContact O-CB 3.5Å; E144-T147 PolarHBondContact O-N 2.69Å; E144-T147 PolarHBondContact O-OG1 3.31Å
145E84.2Confident87.5Confident91 Ų9177 Ų7743%0.42539%0.389SS..G310 helixtrans-56.1-30.9171.9-65.9166.2-158.200112.1W122 H142 P143 T147 D148 Y151W122-E145 PolarHBondContact NE1-OE2 2.8Å; H142-E145 IonicContact CE1-OE1 2.85Å; H142-E145 IonicContact CG-OE1 3.86Å; H142-E145 IonicContact ND1-OE1 2.89Å; H142-E145 PolarHBondContact ND1-OE1 2.92Å; H142-E145 WeakPolarHBondContact O-CB 3.42Å; H142-E145 WeakPolarHBondContact O-CG 3.44Å; H142-E145 PolarHBondContact O-N 2.97Å; H142-E145 VanDerWaalsContact O-N 3.13Å; P143-E145 PolarHBondContact O-N 3.06Å; E145-T147 VanDerWaalsContact C-N 3.28Å; E145-T147 PolarHBondContact O-N 3.31Å; E145-D148 WeakPolarHBondContact O-CB 3.26Å; E145-Y151 WeakPolarHBondContact O-CE2 3.06Å
146Y85.4Confident87.3Confident28 Ų2883.9 Ų83.911%0.1142%0.415CS..G310 helixtrans-80.4-4.5176.1-67.8-80.5000114.3W122 P143 E144 Y151 L157 K158 L174W122-Y146 HydrophobicContact CH2-CE2 4.49Å; W122-Y146 HydrophobicContact CZ2-CE2 4.35Å; P143-Y146 WeakPolarHBondContact O-CB 3.26Å; P143-Y146 PolarHBondContact O-N 3.09Å; E144-Y146 PolarHBondContact O-N 3.23Å; E144-Y146 VanDerWaalsContact O-N 3.16Å; Y146-Y151 AromaticContact CD1-CD1 3.95Å; Y146-Y151 HydrophobicContact CD1-CD1 3.95Å; Y146-Y151 HydrophobicContact CD1-CD2 4.38Å; Y146-Y151 AromaticContact CD1-CE1 3.8Å; Y146-Y151 HydrophobicContact CD1-CE1 3.8Å; Y146-Y151 HydrophobicContact CD1-CE2 4.25Å; Y146-Y151 HydrophobicContact CD1-CG 4.23Å; Y146-Y151 AromaticContact CD1-CZ 3.96Å; Y146-Y151 HydrophobicContact CE1-CD1 4.43Å; Y146-Y151 AromaticContact CE1-CE1 3.95Å; Y146-Y151 HydrophobicContact CE1-CE1 3.95Å; Y146-L157 VanDerWaalsContact CB-CD2 3.5Å; Y146-L157 HydrophobicContact CD1-CD2 3.55Å; Y146-L157 HydrophobicContact CD2-CD2 3.99Å; Y146-L157 HydrophobicContact CE1-CD2 4.19Å; Y146-L157 HydrophobicContact CG-CD2 3.42Å; Y146-L157 VanDerWaalsContact CG-CD2 3.42Å; Y146-K158 PolarHBondContact OH-N 3.21Å; Y146-K158 PolarHBondContact OH-O 2.8Å; Y146-L174 HydrophobicContact CD2-CD2 4.08Å; Y146-L174 HydrophobicContact CE2-CD2 3.86Å
147T83.8Confident87.2Confident98 Ų9883.4 Ų83.460%0.60141%0.413SS*.G310 helixtrans-81-6.7173.4680000112.5E144 E145 S149 L171E144-T147 WeakPolarHBondContact O-CB 3.5Å; E144-T147 PolarHBondContact O-N 2.69Å; E144-T147 PolarHBondContact O-OG1 3.31Å; E145-T147 VanDerWaalsContact C-N 3.28Å; E145-T147 PolarHBondContact O-N 3.31Å; T147-S149 PolarHBondContact O-N 3.18Å; T147-L171 HydrophobicContact CG2-CD2 3.84Å
148D83.7Confident87.2Confident51 Ų5185.7 Ų85.727%0.27342%0.416SS..SBendtrans-60.1133.2173-169.8-42.4000111.3E145 R150 Y151E145-D148 WeakPolarHBondContact O-CB 3.26Å; D148-R150 VanDerWaalsContact CG-NE 3.31Å; D148-R150 PolarHBondContact O-N 3.18Å; D148-R150 WeakPolarHBondContact OD1-CB 3.18Å; D148-R150 WeakPolarHBondContact OD1-CG 3.31Å; D148-R150 PolarHBondContact OD1-N 3.25Å; D148-R150 IonicContact OD1-NE 3.08Å; D148-R150 PolarHBondContact OD1-NE 3.38Å; D148-R150 IonicContact OD2-CZ 3.01Å; D148-R150 IonicContact OD2-NE 2.93Å; D148-R150 PolarHBondContact OD2-NE 3.44Å; D148-R150 IonicContact OD2-NH2 3.6Å; D148-R150 PolarHBondContact OD2-NH2 3.25Å; D148-Y151 HydrophobicContact CB-CD2 4.12Å; D148-Y151 HydrophobicContact CB-CE2 4.46Å; D148-Y151 PolarHBondContact O-N 3.35Å
149S80Confident87.1Confident118 Ų11884 Ų8483%0.82541%0.409SS*.THydrogen-bonded Turntrans-49-24.1175.960.50000115.4T147 Y151T147-S149 PolarHBondContact O-N 3.18Å; S149-Y151 PolarHBondContact O-N 3.16Å
150R86.5Confident87Confident206 Ų20686.5 Ų86.578%0.77742%0.422SS*.THydrogen-bonded Turntrans-66-21.1176.4-67.1177.4-72.7172.51.9113D148D148-R150 VanDerWaalsContact CG-NE 3.31Å; D148-R150 PolarHBondContact O-N 3.18Å; D148-R150 WeakPolarHBondContact OD1-CB 3.18Å; D148-R150 WeakPolarHBondContact OD1-CG 3.31Å; D148-R150 PolarHBondContact OD1-N 3.25Å; D148-R150 IonicContact OD1-NE 3.08Å; D148-R150 PolarHBondContact OD1-NE 3.38Å; D148-R150 IonicContact OD2-CZ 3.01Å; D148-R150 IonicContact OD2-NE 2.93Å; D148-R150 PolarHBondContact OD2-NE 3.44Å; D148-R150 IonicContact OD2-NH2 3.6Å; D148-R150 PolarHBondContact OD2-NH2 3.25Å
151Y82.4Confident87Confident101 Ų10185.8 Ų85.840%0.39641%0.412SS..SBendtrans-89.3135.1179.4-72.6-78.5000112.7E145 Y146 D148 S149 V155E145-Y151 WeakPolarHBondContact O-CE2 3.06Å; Y146-Y151 AromaticContact CD1-CD1 3.95Å; Y146-Y151 HydrophobicContact CD1-CD1 3.95Å; Y146-Y151 HydrophobicContact CD1-CD2 4.38Å; Y146-Y151 AromaticContact CD1-CE1 3.8Å; Y146-Y151 HydrophobicContact CD1-CE1 3.8Å; Y146-Y151 HydrophobicContact CD1-CE2 4.25Å; Y146-Y151 HydrophobicContact CD1-CG 4.23Å; Y146-Y151 AromaticContact CD1-CZ 3.96Å; Y146-Y151 HydrophobicContact CE1-CD1 4.43Å; Y146-Y151 AromaticContact CE1-CE1 3.95Å; Y146-Y151 HydrophobicContact CE1-CE1 3.95Å; D148-Y151 HydrophobicContact CB-CD2 4.12Å; D148-Y151 HydrophobicContact CB-CE2 4.46Å; D148-Y151 PolarHBondContact O-N 3.35Å; S149-Y151 PolarHBondContact O-N 3.16Å; Y151-V155 HydrophobicContact CD1-CG2 4.24Å
152P81.8Confident86.6Confident87 Ų8787 Ų8757%0.56542%0.419SS*.  trans-68.5146.2175.825.1-29.4000111.3N154 V155P152-N154 PolarHBondContact O-N 3.3Å; P152-V155 HydrophobicContact CG-CB 4.05Å; P152-V155 VanDerWaalsContact O-CB 3.3Å; P152-V155 WeakPolarHBondContact O-CB 3.34Å; P152-V155 VanDerWaalsContact O-CG1 3.31Å; P152-V155 WeakPolarHBondContact O-CG1 3.39Å; P152-V155 PolarHBondContact O-N 3.27Å
153K75.7Confident86.3Confident213 Ų21392.4 Ų92.493%0.92645%0.449SS*.THydrogen-bonded Turntrans-55.4-27.5-176.1-68.8-178.4179.2176.10115
154N80.1Confident86.2Confident158 Ų15893.6 Ų93.685%0.84546%0.457SS*.THydrogen-bonded Turntrans-105.722.5-178.8-65.1-22.7000112.8P152P152-N154 PolarHBondContact O-N 3.3Å
155V85Confident86.5Confident39 Ų3994.5 Ų94.524%0.23647%0.47CS..  trans-60.7137.9177.967.10000111Y151 P152 L157Y151-V155 HydrophobicContact CD1-CG2 4.24Å; P152-V155 HydrophobicContact CG-CB 4.05Å; P152-V155 VanDerWaalsContact O-CB 3.3Å; P152-V155 WeakPolarHBondContact O-CB 3.34Å; P152-V155 VanDerWaalsContact O-CG1 3.31Å; P152-V155 WeakPolarHBondContact O-CG1 3.39Å; P152-V155 PolarHBondContact O-N 3.27Å; V155-L157 HydrophobicContact CG1-CD2 3.6Å; V155-L157 HydrophobicContact CG1-CG 4.49Å; V155-L157 PolarHBondContact O-N 3.46Å
156R90Very high86.9Confident145 Ų14593 Ų9355%0.54746%0.461SS..  trans-77.2110.9168.6-68.4-17771.5-171.20.2108.1K158 I167R156-K158 PolarHBondContact O-N 3.4Å; R156-I167 HydrophobicContact CB-CG2 3.76Å; R156-I167 HydrophobicContact CG-CG2 4.47Å
157L92.3Very high87.3Confident11 Ų1194.3 Ų94.36%0.05847%0.469CS..EExtended strand (participates in β ladder)trans-79.2109-175.7-52.1170.8000109.3Y146 V155 I167 A168 R170 L171 L174Y146-L157 VanDerWaalsContact CB-CD2 3.5Å; Y146-L157 HydrophobicContact CD1-CD2 3.55Å; Y146-L157 HydrophobicContact CD2-CD2 3.99Å; Y146-L157 HydrophobicContact CE1-CD2 4.19Å; Y146-L157 HydrophobicContact CG-CD2 3.42Å; Y146-L157 VanDerWaalsContact CG-CD2 3.42Å; V155-L157 HydrophobicContact CG1-CD2 3.6Å; V155-L157 HydrophobicContact CG1-CG 4.49Å; V155-L157 PolarHBondContact O-N 3.46Å; L157-I167 CarbonylContact O-C 3.53Å; L157-I167 WeakPolarHBondContact O-CA 3.5Å; L157-A168 HydrophobicContact CB-CB 4.33Å; L157-A168 WeakPolarHBondContact CB-O 3.35Å; L157-A168 PolarHBondContact N-O 3.28Å; L157-A168 PolarHBondContact O-N 2.92Å; L157-R170 VanDerWaalsContact CD1-C 3.4Å; L157-L171 HydrophobicContact CD1-CB 4.34Å; L157-L171 HydrophobicContact CD1-CD1 4.49Å; L157-L171 VanDerWaalsContact CD1-N 3.32Å; L157-L174 HydrophobicContact CB-CD2 3.9Å
158K92.5Very high87.8Confident121 Ų12189.7 Ų89.753%0.52644%0.442SS..EExtended strand (participates in β ladder)trans-86.4139.5178.7-61.9-176.4180177.20109.8Y146 R156 L160 I167Y146-K158 PolarHBondContact OH-N 3.21Å; Y146-K158 PolarHBondContact OH-O 2.8Å; R156-K158 PolarHBondContact O-N 3.4Å; K158-L160 HydrophobicContact CB-CD2 4.19Å; K158-I167 HydrophobicContact CG-CD1 4.46Å; K158-I167 HydrophobicContact CG-CG1 4.22Å
159C93.4Very high88.1Confident5 Ų593.4 Ų93.43%0.03446%0.461CS..  trans-73.9122.6163.3-171.20000108W161 C164 Y166 L174 H177C159-W161 VanDerWaalsContact C-N 3.29Å; C159-W161 VanDerWaalsContact SG-CB 3.58Å; C159-C164 HydrophobicContact CB-CB 4.29Å; C159-C164 VanDerWaalsContact SG-SG 3.67Å; C159-Y166 PolarHBondContact N-O 3.17Å; C159-L174 HydrophobicContact CB-CD1 3.9Å; C159-H177 PolarHBondContact SG-NE2 3.23Å; C159-H177 VanDerWaalsContact SG-NE2 3.37Å
160L92.5Very high88.5Confident54 Ų5495.3 Ų95.328%0.28345%0.45SS..  trans-97.722.4178-53179000111.4W122 E123 K158W122-L160 HydrophobicContact CD2-CB 4.01Å; W122-L160 HydrophobicContact CE3-CB 4.35Å; W122-L160 HydrophobicContact CH2-CB 4.22Å; W122-L160 HydrophobicContact CH2-CG 4.31Å; W122-L160 HydrophobicContact CZ2-CB 3.88Å; W122-L160 HydrophobicContact CZ2-CD1 4Å; W122-L160 HydrophobicContact CZ2-CG 3.89Å; W122-L160 HydrophobicContact CZ3-CB 4.43Å; E123-L160 HydrophobicContact CB-CB 3.88Å; E123-L160 PolarHBondContact N-O 3.09Å; K158-L160 HydrophobicContact CB-CD2 4.19Å
161W92.7Very high88.7Confident34 Ų3488.7 Ų88.713%0.12943%0.43CS..BIsolated β-bridgetrans-73.2143.1172.8-157.7-72.3000109.9G121 W122 F135 V139 C159 N163 C164 L178 H181G121-W161 VanDerWaalsContact N-CZ2 3.3Å; G121-W161 CarbonylContact O-C 3.55Å; G121-W161 VanDerWaalsContact O-CA 3.29Å; G121-W161 WeakPolarHBondContact O-CA 3.42Å; W122-W161 HydrophobicContact CE3-CE3 4.45Å; F135-W161 HydrophobicContact CZ-CH2 4.05Å; V139-W161 HydrophobicContact CB-CZ3 4.37Å; V139-W161 HydrophobicContact CG1-CE3 4.49Å; V139-W161 HydrophobicContact CG1-CH2 4.28Å; V139-W161 HydrophobicContact CG1-CZ3 3.57Å; V139-W161 HydrophobicContact CG2-CH2 3.87Å; V139-W161 HydrophobicContact CG2-CZ3 3.82Å; C159-W161 VanDerWaalsContact C-N 3.29Å; C159-W161 VanDerWaalsContact SG-CB 3.58Å; W161-N163 PolarHBondContact O-N 3.05Å; W161-C164 HydrophobicContact CB-CB 3.88Å; W161-C164 WeakPolarHBondContact O-CB 3.49Å; W161-C164 PolarHBondContact O-N 3.37Å; W161-L178 HydrophobicContact CE3-CD2 4.09Å; W161-H181 AromaticContact CD1-CE1 3.69Å; W161-H181 AromaticContact CD1-ND1 3.46Å; W161-H181 HydrophobicContact CD2-CB 3.74Å; W161-H181 AromaticContact CD2-CD2 3.9Å; W161-H181 AromaticContact CD2-CG 3.53Å; W161-H181 AromaticContact CD2-ND1 3.75Å; W161-H181 AromaticContact CE2-CG 3.85Å; W161-H181 AromaticContact CE2-ND1 3.91Å; W161-H181 HydrophobicContact CE3-CB 3.87Å; W161-H181 AromaticContact CE3-CG 3.92Å; W161-H181 HydrophobicContact CG-CB 4.4Å; W161-H181 AromaticContact CG-CD2 3.87Å; W161-H181 AromaticContact CG-CE1 3.55Å; W161-H181 AromaticContact CG-CG 3.69Å; W161-H181 AromaticContact CG-ND1 3.48Å; W161-H181 AromaticContact CG-NE2 3.82Å; W161-H181 HydrophobicContact CH2-CB 4Å; W161-H181 HydrophobicContact CZ2-CB 3.86Å; W161-H181 HydrophobicContact CZ3-CB 4.01Å; W161-H181 AromaticContact NE1-ND1 3.71Å
162E85.4Confident89.1Confident138 Ų13890.1 Ų90.165%0.64544%0.438SS*.THydrogen-bonded Turntrans-47.1128.8178.5-158.8-157.6150.200111.7G121 C164G121-E162 PolarHBondContact O-N 3.48Å; E162-C164 PolarHBondContact O-N 2.82Å
163N87.1Confident89.6Confident125 Ų12589 Ų8967%0.66843%0.428SS*.THydrogen-bonded Turntrans58.715.6179.6-53.6-52.6000115.1W161W161-N163 PolarHBondContact O-N 3.05Å
164C88.9Confident90.4Very high29 Ų2978.9 Ų78.920%0.19638%0.384CS..  trans-93.5130.4176.2-166.60000111.5C159 W161 E162 H177 H181C159-C164 HydrophobicContact CB-CB 4.29Å; C159-C164 VanDerWaalsContact SG-SG 3.67Å; W161-C164 HydrophobicContact CB-CB 3.88Å; W161-C164 WeakPolarHBondContact O-CB 3.49Å; W161-C164 PolarHBondContact O-N 3.37Å; E162-C164 PolarHBondContact O-N 2.82Å; C164-H177 PolarHBondContact SG-NE2 3.18Å; C164-H181 PolarHBondContact SG-NE2 3.33Å
165T92.2Very high91.1Very high132 Ų13273.4 Ų73.481%0.8136%0.358SS*.  trans-109.312.3178.357.10000112.5
166Y93.7Very high91.4Very high60 Ų6075.3 Ų75.324%0.23537%0.372CS..  trans-71.1137-175.1-175.8-100.2000112.1C159 A168 L174 H177 L516C159-Y166 PolarHBondContact N-O 3.17Å; Y166-A168 HydrophobicContact CE1-CB 3.82Å; Y166-L174 HydrophobicContact CD1-CD1 4.32Å; Y166-H177 WeakPolarHBondContact CB-CE1 3.45Å; Y166-H177 VanDerWaalsContact CB-NE2 3.34Å; Y166-H177 WeakPolarHBondContact CB-NE2 3.47Å; Y166-H177 HydrophobicContact CD1-CB 3.61Å; Y166-H177 AromaticContact CD1-CD2 3.3Å; Y166-H177 WeakPolarHBondContact CD1-CD2 3.45Å; Y166-H177 AromaticContact CD1-CE1 3.97Å; Y166-H177 AromaticContact CD1-CG 3.19Å; Y166-H177 AromaticContact CD1-ND1 3.63Å; Y166-H177 AromaticContact CD1-NE2 3.78Å; Y166-H177 AromaticContact CD2-ND1 3.76Å; Y166-H177 HydrophobicContact CE1-CB 3.32Å; Y166-H177 AromaticContact CE1-CD2 4Å; Y166-H177 AromaticContact CE1-CG 3.49Å; Y166-H177 VanDerWaalsContact CE1-CG 3.49Å; Y166-H177 HydrophobicContact CG-CB 4.3Å; Y166-H177 AromaticContact CG-CD2 3.72Å; Y166-H177 AromaticContact CG-CE1 3.55Å; Y166-H177 AromaticContact CG-CG 3.54Å; Y166-H177 AromaticContact CG-ND1 3.44Å; Y166-H177 AromaticContact CG-NE2 3.7Å; Y166-L516 HydrophobicContact CD2-CD2 4.17Å; Y166-L516 HydrophobicContact CE2-CD2 4.45Å
167I93.8Very high91.4Very high55 Ų5569.6 Ų69.628%0.28235%0.351SS..EExtended strand (participates in β ladder)trans-129.9131.6178-55.3179.8000109.1R156 L157 K158R156-I167 HydrophobicContact CB-CG2 3.76Å; R156-I167 HydrophobicContact CG-CG2 4.47Å; L157-I167 CarbonylContact O-C 3.53Å; L157-I167 WeakPolarHBondContact O-CA 3.5Å; K158-I167 HydrophobicContact CG-CD1 4.46Å; K158-I167 HydrophobicContact CG-CG1 4.22Å
168A93.1Very high91.4Very high2 Ų269.1 Ų69.12%0.01735%0.349CS..EExtended strand (participates in β ladder)trans-117147.5177.900000112L157 Y166 N173 L174L157-A168 HydrophobicContact CB-CB 4.33Å; L157-A168 WeakPolarHBondContact CB-O 3.35Å; L157-A168 PolarHBondContact N-O 3.28Å; L157-A168 PolarHBondContact O-N 2.92Å; Y166-A168 HydrophobicContact CE1-CB 3.82Å; A168-N173 HydrophobicContact CB-CB 3.97Å; A168-L174 HydrophobicContact CB-CB 3.88Å
169N90Very high91.3Very high128 Ų12864.8 Ų64.868%0.68433%0.331SS*.SBendtrans-96.90.5173.8-58.3-3.7000112.4
170R89.4Confident91.1Very high158 Ų15867.6 Ų67.660%0.59635%0.348SS*.SBendtrans-147.5138.9-178.6-65.9-175.7176.9164.2-7110.1L157 K172 N173 L174L157-R170 VanDerWaalsContact CD1-C 3.4Å; R170-K172 VanDerWaalsContact C-N 3.3Å; R170-K172 HydrophobicContact CB-CG 4.22Å; R170-K172 PolarHBondContact O-N 3.14Å; R170-N173 WeakPolarHBondContact O-CB 3.26Å; R170-N173 PolarHBondContact O-N 2.82Å; R170-L174 PolarHBondContact O-N 3.18Å
171L90.9Very high90.7Very high67 Ų6766.6 Ų66.635%0.35134%0.342SS..Hα-helixtrans-52.5-46.2-179-170.771.1000112.9P143 T147 L157 N173 L174 S175P143-L171 HydrophobicContact CB-CD1 3.43Å; P143-L171 VanDerWaalsContact CB-CD1 3.43Å; P143-L171 HydrophobicContact CB-CG 4.21Å; P143-L171 WeakPolarHBondContact O-CD1 3.22Å; T147-L171 HydrophobicContact CG2-CD2 3.84Å; L157-L171 HydrophobicContact CD1-CB 4.34Å; L157-L171 HydrophobicContact CD1-CD1 4.49Å; L157-L171 VanDerWaalsContact CD1-N 3.32Å; L171-N173 PolarHBondContact O-N 3.01Å; L171-N173 VanDerWaalsContact O-N 3.17Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-L174 VanDerWaalsContact O-N 3.14Å; L171-S175 PolarHBondContact O-N 2.89Å
172K90.4Very high90.5Very high132 Ų13265.1 Ų65.157%0.57434%0.337SS*.Hα-helixtrans-58.7-29.4177.670.8-179.2-177.6-177.80114.2R170 C176R170-K172 VanDerWaalsContact C-N 3.3Å; R170-K172 HydrophobicContact CB-CG 4.22Å; R170-K172 PolarHBondContact O-N 3.14Å; K172-C176 VanDerWaalsContact O-CB 3.26Å; K172-C176 WeakPolarHBondContact O-CB 3.33Å; K172-C176 PolarHBondContact O-N 3.3Å
173N92.5Very high90.4Very high64 Ų6460 Ų6034%0.34231%0.313SS..Hα-helixtrans-78.1-39.7179.5-69.86.1000110.1A168 R170 L171 C176 H177A168-N173 HydrophobicContact CB-CB 3.97Å; R170-N173 WeakPolarHBondContact O-CB 3.26Å; R170-N173 PolarHBondContact O-N 2.82Å; L171-N173 PolarHBondContact O-N 3.01Å; L171-N173 VanDerWaalsContact O-N 3.17Å; N173-C176 PolarHBondContact O-N 2.89Å; N173-H177 WeakPolarHBondContact O-CB 3.29Å; N173-H177 PolarHBondContact O-N 3.46Å
174L93.5Very high90.5Very high0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-63.7-46.7172.8-179.159.3000110.9W122 P143 Y146 L157 C159 Y166 A168 R170 L171 C176 H177 L178W122-L174 HydrophobicContact CH2-CD2 4.34Å; P143-L174 HydrophobicContact CB-CD2 4.05Å; P143-L174 HydrophobicContact CB-CG 4.28Å; P143-L174 HydrophobicContact CG-CD2 4.29Å; P143-L174 HydrophobicContact CG-CG 4.11Å; Y146-L174 HydrophobicContact CD2-CD2 4.08Å; Y146-L174 HydrophobicContact CE2-CD2 3.86Å; L157-L174 HydrophobicContact CB-CD2 3.9Å; C159-L174 HydrophobicContact CB-CD1 3.9Å; Y166-L174 HydrophobicContact CD1-CD1 4.32Å; A168-L174 HydrophobicContact CB-CB 3.88Å; R170-L174 PolarHBondContact O-N 3.18Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-L174 VanDerWaalsContact O-N 3.14Å; L174-C176 PolarHBondContact O-N 3.26Å; L174-H177 WeakPolarHBondContact O-CA 3.47Å; L174-H177 WeakPolarHBondContact O-CB 3.34Å; L174-H177 PolarHBondContact O-N 2.86Å; L174-L178 PolarHBondContact O-N 2.79Å
175S92.8Very high90.5Very high43 Ų4354.3 Ų54.330%0.30128%0.28SS..Hα-helixtrans-56.8-47.3174.3173.80000112.1L171 H177 L178L171-S175 PolarHBondContact O-N 2.89Å; S175-H177 VanDerWaalsContact C-N 3.25Å; S175-H177 PolarHBondContact O-N 3.34Å; S175-L178 PolarHBondContact O-N 3.42Å
176C91.9Very high90.4Very high78 Ų7854.3 Ų54.353%0.52727%0.265SS..Hα-helixtrans-66.3-26.1175-173.30000113.2K172 N173 L174 D179K172-C176 VanDerWaalsContact O-CB 3.26Å; K172-C176 WeakPolarHBondContact O-CB 3.33Å; K172-C176 PolarHBondContact O-N 3.3Å; N173-C176 PolarHBondContact O-N 2.89Å; L174-C176 PolarHBondContact O-N 3.26Å; C176-D179 WeakPolarHBondContact O-CB 3.37Å
177H91.4Very high90.4Very high25 Ų2551.4 Ų51.412%0.11625%0.254CS..Hα-helixtrans-73.3-36.6175.2163.273.4000111.2C159 C164 Y166 N173 L174 S175 D179 T180 H181C159-H177 PolarHBondContact SG-NE2 3.23Å; C159-H177 VanDerWaalsContact SG-NE2 3.37Å; C164-H177 PolarHBondContact SG-NE2 3.18Å; Y166-H177 WeakPolarHBondContact CB-CE1 3.45Å; Y166-H177 VanDerWaalsContact CB-NE2 3.34Å; Y166-H177 WeakPolarHBondContact CB-NE2 3.47Å; Y166-H177 HydrophobicContact CD1-CB 3.61Å; Y166-H177 AromaticContact CD1-CD2 3.3Å; Y166-H177 WeakPolarHBondContact CD1-CD2 3.45Å; Y166-H177 AromaticContact CD1-CE1 3.97Å; Y166-H177 AromaticContact CD1-CG 3.19Å; Y166-H177 AromaticContact CD1-ND1 3.63Å; Y166-H177 AromaticContact CD1-NE2 3.78Å; Y166-H177 AromaticContact CD2-ND1 3.76Å; Y166-H177 HydrophobicContact CE1-CB 3.32Å; Y166-H177 AromaticContact CE1-CD2 4Å; Y166-H177 AromaticContact CE1-CG 3.49Å; Y166-H177 VanDerWaalsContact CE1-CG 3.49Å; Y166-H177 HydrophobicContact CG-CB 4.3Å; Y166-H177 AromaticContact CG-CD2 3.72Å; Y166-H177 AromaticContact CG-CE1 3.55Å; Y166-H177 AromaticContact CG-CG 3.54Å; Y166-H177 AromaticContact CG-ND1 3.44Å; Y166-H177 AromaticContact CG-NE2 3.7Å; N173-H177 WeakPolarHBondContact O-CB 3.29Å; N173-H177 PolarHBondContact O-N 3.46Å; L174-H177 WeakPolarHBondContact O-CA 3.47Å; L174-H177 WeakPolarHBondContact O-CB 3.34Å; L174-H177 PolarHBondContact O-N 2.86Å; S175-H177 VanDerWaalsContact C-N 3.25Å; S175-H177 PolarHBondContact O-N 3.34Å; H177-D179 PolarHBondContact O-N 2.66Å; H177-T180 VanDerWaalsContact O-CB 3.27Å; H177-T180 WeakPolarHBondContact O-CB 3.38Å; H177-T180 WeakPolarHBondContact O-CG2 3.05Å; H177-T180 PolarHBondContact O-N 2.81Å; H177-T180 PolarHBondContact O-OG1 2.9Å; H177-H181 AromaticContact CE1-NE2 3.71Å; H177-H181 AromaticContact NE2-CD2 3.8Å; H177-H181 AromaticContact NE2-NE2 3.19Å; H177-H181 PolarHBondContact NE2-NE2 3.47Å; H177-H181 VanDerWaalsContact NE2-NE2 3.19Å
178L91.7Very high90.3Very high1 Ų148.8 Ų48.81%0.00524%0.24CC..Hα-helixtrans-60.6-25175.6-71179.9000113.6W122 V139 H142 P143 W161 L174 S175 T180 H181 T182W122-L178 HydrophobicContact CE3-CD2 4.11Å; W122-L178 HydrophobicContact CZ3-CD1 4.38Å; W122-L178 HydrophobicContact CZ3-CD2 3.81Å; V139-L178 HydrophobicContact CG1-CB 4.02Å; V139-L178 HydrophobicContact CG1-CD1 4.13Å; V139-L178 HydrophobicContact CG1-CD2 4.29Å; V139-L178 HydrophobicContact CG1-CG 4.39Å; V139-L178 WeakPolarHBondContact O-CD1 3.31Å; H142-L178 HydrophobicContact CB-CD1 4.29Å; P143-L178 HydrophobicContact CG-CD1 3.49Å; P143-L178 VanDerWaalsContact CG-CD1 3.49Å; W161-L178 HydrophobicContact CE3-CD2 4.09Å; L174-L178 PolarHBondContact O-N 2.79Å; S175-L178 PolarHBondContact O-N 3.42Å; L178-T180 PolarHBondContact O-N 3.38Å; L178-T180 VanDerWaalsContact O-N 3.07Å; L178-H181 PolarHBondContact O-N 2.95Å; L178-T182 PolarHBondContact O-N 3.19Å; L178-T182 PolarHBondContact O-OG1 2.96Å
179D90.9Very high90.2Very high30 Ų3048.7 Ų48.716%0.1624%0.24CC..Hα-helixtrans-56.1-21.8168.6-69.2-4.6000112.3C176 H177 Q183 T184 R186C176-D179 WeakPolarHBondContact O-CB 3.37Å; H177-D179 PolarHBondContact O-N 2.66Å; D179-Q183 WeakPolarHBondContact O-CA 3.27Å; D179-Q183 PolarHBondContact O-N 3.5Å; D179-T184 HydrophobicContact CB-CG2 3.54Å; D179-T184 PolarHBondContact O-N 3.19Å; D179-T184 VanDerWaalsContact OD1-CG2 3.26Å; D179-T184 WeakPolarHBondContact OD1-CG2 3.36Å; D179-R186 IonicContact OD2-NH2 2.77Å; D179-R186 PolarHBondContact OD2-NH2 3.1Å
180T88Confident90.3Very high64 Ų6444.4 Ų44.439%0.39322%0.219SC..Hα-helixtrans-78.5-30.5176.969.40000113.5H177 L178 I348H177-T180 VanDerWaalsContact O-CB 3.27Å; H177-T180 WeakPolarHBondContact O-CB 3.38Å; H177-T180 WeakPolarHBondContact O-CG2 3.05Å; H177-T180 PolarHBondContact O-N 2.81Å; H177-T180 PolarHBondContact O-OG1 2.9Å; L178-T180 PolarHBondContact O-N 3.38Å; L178-T180 VanDerWaalsContact O-N 3.07Å; T180-I348 WeakPolarHBondContact O-CG2 3.36Å
181H85.3Confident90.4Very high33 Ų3339.1 Ų39.115%0.15320%0.204CC..Hα-helixtrans-78.6-42.7176.6-67.4-67.1000111.4W161 C164 H177 L178 G350W161-H181 AromaticContact CD1-CE1 3.69Å; W161-H181 AromaticContact CD1-ND1 3.46Å; W161-H181 HydrophobicContact CD2-CB 3.74Å; W161-H181 AromaticContact CD2-CD2 3.9Å; W161-H181 AromaticContact CD2-CG 3.53Å; W161-H181 AromaticContact CD2-ND1 3.75Å; W161-H181 AromaticContact CE2-CG 3.85Å; W161-H181 AromaticContact CE2-ND1 3.91Å; W161-H181 HydrophobicContact CE3-CB 3.87Å; W161-H181 AromaticContact CE3-CG 3.92Å; W161-H181 HydrophobicContact CG-CB 4.4Å; W161-H181 AromaticContact CG-CD2 3.87Å; W161-H181 AromaticContact CG-CE1 3.55Å; W161-H181 AromaticContact CG-CG 3.69Å; W161-H181 AromaticContact CG-ND1 3.48Å; W161-H181 AromaticContact CG-NE2 3.82Å; W161-H181 HydrophobicContact CH2-CB 4Å; W161-H181 HydrophobicContact CZ2-CB 3.86Å; W161-H181 HydrophobicContact CZ3-CB 4.01Å; W161-H181 AromaticContact NE1-ND1 3.71Å; C164-H181 PolarHBondContact SG-NE2 3.33Å; H177-H181 AromaticContact CE1-NE2 3.71Å; H177-H181 AromaticContact NE2-CD2 3.8Å; H177-H181 AromaticContact NE2-NE2 3.19Å; H177-H181 PolarHBondContact NE2-NE2 3.47Å; H177-H181 VanDerWaalsContact NE2-NE2 3.19Å; L178-H181 PolarHBondContact O-N 2.95Å; H181-G350 WeakPolarHBondContact O-CA 3.46Å
182T86.7Confident90.2Very high3 Ų336.1 Ų36.12%0.01819%0.188CC..Hα-helixtrans-79.1-23.8176.560.30000112.6F135 V139 L178 T184 L352F135-T182 HydrophobicContact CD1-CG2 4.39Å; F135-T182 HydrophobicContact CE1-CG2 3.83Å; F135-T182 HydrophobicContact CZ-CG2 4.32Å; V139-T182 HydrophobicContact CB-CG2 3.69Å; V139-T182 HydrophobicContact CG1-CG2 3.58Å; V139-T182 HydrophobicContact CG2-CG2 3.84Å; L178-T182 PolarHBondContact O-N 3.19Å; L178-T182 PolarHBondContact O-OG1 2.96Å; T182-T184 PolarHBondContact O-N 3.03Å; T182-T184 PolarHBondContact OG1-N 3.39Å; T182-L352 WeakPolarHBondContact O-CD1 3.34Å
183Q84.2Confident90.1Very high30 Ų3030.2 Ų30.214%0.1417%0.166CC..  trans51.939.3-167.9-57.5-175.68.400113.3D179 K185 I348 L352D179-Q183 WeakPolarHBondContact O-CA 3.27Å; D179-Q183 PolarHBondContact O-N 3.5Å; Q183-K185 PolarHBondContact O-NZ 3.09Å; Q183-I348 PolarHBondContact NE2-O 2.87Å; Q183-L352 HydrophobicContact CB-CB 4.15Å; Q183-L352 PolarHBondContact OE1-O 3.31Å
184T88.2Confident90Very high12 Ų1229.1 Ų29.17%0.07416%0.159CC..  trans-50.4151.8179.5-173.20000113.2I136 D179 T182I136-T184 WeakPolarHBondContact CG2-OG1 3.36Å; D179-T184 HydrophobicContact CB-CG2 3.54Å; D179-T184 PolarHBondContact O-N 3.19Å; D179-T184 VanDerWaalsContact OD1-CG2 3.26Å; D179-T184 WeakPolarHBondContact OD1-CG2 3.36Å; T182-T184 PolarHBondContact O-N 3.03Å; T182-T184 PolarHBondContact OG1-N 3.39Å
185K89.8Confident89.8Confident24 Ų2429.8 Ų29.810%0.10416%0.163CC..  trans-131.2145.1-179.2-56.9-70.9-173-79.40108.1W81 L85 Q183 L195 V197W81-K185 HydrophobicContact CH2-CB 3.68Å; W81-K185 HydrophobicContact CH2-CG 3.83Å; W81-K185 HydrophobicContact CZ2-CB 3.84Å; W81-K185 HydrophobicContact CZ2-CG 4.42Å; L85-K185 HydrophobicContact CD1-CB 3.69Å; Q183-K185 PolarHBondContact O-NZ 3.09Å; K185-L195 HydrophobicContact CB-CB 4.28Å; K185-L195 HydrophobicContact CD-CB 3.99Å; K185-L195 HydrophobicContact CG-CB 3.83Å; K185-L195 HydrophobicContact CG-CD1 4.48Å; K185-V197 HydrophobicContact CD-CG2 4.15Å
186R91Very high89.6Confident131 Ų13128.4 Ų28.449%0.49415%0.152SC..SBendtrans-121.8-7.2-173.7-58.4-178.4-172.5-149.11.5113.2D179 L196 V197 F199D179-R186 IonicContact OD2-NH2 2.77Å; D179-R186 PolarHBondContact OD2-NH2 3.1Å; R186-L196 PolarHBondContact N-O 3.02Å; R186-V197 WeakPolarHBondContact CB-O 3.48Å; R186-V197 WeakPolarHBondContact CD-O 3.36Å; R186-V197 VanDerWaalsContact CG-O 3.29Å; R186-V197 WeakPolarHBondContact CG-O 3.32Å; R186-F199 WeakPolarHBondContact O-CE1 3.42Å
187A92Very high89.5Confident0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-153.5154.6175.700000109.3L196 F199 L202A187-L196 PolarHBondContact N-O 3.35Å; A187-L196 PolarHBondContact O-N 3.37Å; A187-F199 HydrophobicContact CB-CD1 3.64Å; A187-F199 HydrophobicContact CB-CE1 3.74Å; A187-L202 HydrophobicContact CB-CD2 4.35Å
188A92Very high89.3Confident0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-127.1151164.800000109.2L85 K86 P190 L194 L195L85-A188 HydrophobicContact CB-CB 3.74Å; L85-A188 PolarHBondContact O-N 3.35Å; K86-A188 HydrophobicContact CB-CB 4.43Å; K86-A188 HydrophobicContact CG-CB 3.68Å; A188-P190 WeakPolarHBondContact O-CD 3.26Å; A188-L194 CarbonylContact C-O 3.54Å; A188-L194 VanDerWaalsContact CA-O 3.29Å; A188-L194 WeakPolarHBondContact CA-O 3.37Å; A188-L195 HydrophobicContact CB-CD2 3.68Å
189C91.6Very high89.4Confident0 Ų030.1 Ų30.10%016%0.157CC..  trans-68.3124.8168.9-179.70000108.9C101 T191 C192 G193 L194 L202C101-C189 WeakPolarHBondContact CB-SG 3.43Å; C189-T191 PolarHBondContact O-N 2.86Å; C189-C192 VanDerWaalsContact CB-SG 3.52Å; C189-G193 VanDerWaalsContact O-CA 3.25Å; C189-G193 WeakPolarHBondContact O-CA 3.29Å; C189-G193 PolarHBondContact O-N 3.49Å; C189-L194 HydrophobicContact CB-CB 4.26Å; C189-L194 PolarHBondContact N-O 3.07Å; C189-L202 HydrophobicContact CB-CD1 4.13Å
190P92.1Very high89.4Confident38 Ų3835.5 Ų35.525%0.24718%0.175CC..THydrogen-bonded Turntrans-66.5-21.8-178.727.4-36.3000113.6K90 L93 A188K90-P190 HydrophobicContact CB-CB 3.96Å; K90-P190 HydrophobicContact CB-CG 4.15Å; L93-P190 HydrophobicContact CD1-CG 4.46Å; A188-P190 WeakPolarHBondContact O-CD 3.26Å
191T90.6Very high89.5Confident46 Ų4637.5 Ų37.528%0.28218%0.179SC..THydrogen-bonded Turntrans-89.9-52.4-178-46.40000112.6C101 S105 C108 C189C101-T191 HydrophobicContact CB-CG2 4.11Å; S105-T191 WeakPolarHBondContact CA-O 3.29Å; C108-T191 PolarHBondContact SG-O 3.46Å; C189-T191 PolarHBondContact O-N 2.86Å
192C88.4Confident89.8Confident4 Ų436 Ų363%0.02717%0.171CC..THydrogen-bonded Turntrans-104.5-0-173.870.90000114C189 L194 H205C189-C192 VanDerWaalsContact CB-SG 3.52Å; C192-L194 PolarHBondContact O-N 3.17Å; C192-L194 VanDerWaalsContact O-N 3.13Å; C192-H205 PolarHBondContact SG-NE2 3.21Å; C192-H205 VanDerWaalsContact SG-NE2 3.39Å
193G88.6Confident90.1Very high9 Ų937 Ų379%0.09318%0.176CC..  trans73.8-1.317700000115.4C108 C189 L195C108-G193 VanDerWaalsContact SG-CA 3.51Å; C108-G193 PolarHBondContact SG-N 2.88Å; C189-G193 VanDerWaalsContact O-CA 3.25Å; C189-G193 WeakPolarHBondContact O-CA 3.29Å; C189-G193 PolarHBondContact O-N 3.49Å; G193-L195 PolarHBondContact O-N 3.37Å; G193-L195 VanDerWaalsContact O-N 3.07Å
194L89.2Confident90.4Very high41 Ų4135.9 Ų35.922%0.21517%0.171CC..  trans-55.8118-176-178.866.9000111.6A188 C189 C192 L196 H205A188-L194 CarbonylContact C-O 3.54Å; A188-L194 VanDerWaalsContact CA-O 3.29Å; A188-L194 WeakPolarHBondContact CA-O 3.37Å; C189-L194 HydrophobicContact CB-CB 4.26Å; C189-L194 PolarHBondContact N-O 3.07Å; C192-L194 PolarHBondContact O-N 3.17Å; C192-L194 VanDerWaalsContact O-N 3.13Å; L194-L196 HydrophobicContact CD2-CD2 3.98Å; L194-L196 HydrophobicContact CD2-CG 4.42Å; L194-L196 HydrophobicContact CG-CD2 4.28Å; L194-L196 HydrophobicContact CG-CG 4.25Å; L194-L196 WeakPolarHBondContact O-CD1 3.3Å; L194-L196 WeakPolarHBondContact O-CG 3.47Å; L194-H205 HydrophobicContact CD2-CB 4.48Å; L194-H205 WeakPolarHBondContact CD2-ND1 3.43Å
195L89.5Confident90.5Very high13 Ų1336.8 Ų36.87%0.06817%0.174CC..EExtended strand (participates in β ladder)trans-79.2128.9178.9-54.7-176.6000111.8F78 W81 V82 L85 K185 A188 G193 A355F78-L195 HydrophobicContact CZ-CD1 4.49Å; W81-L195 HydrophobicContact CH2-CD1 4.31Å; W81-L195 HydrophobicContact CZ3-CD1 3.84Å; V82-L195 HydrophobicContact CG1-CD2 4.15Å; V82-L195 HydrophobicContact CG2-CD1 4.44Å; V82-L195 HydrophobicContact CG2-CD2 4.11Å; L85-L195 HydrophobicContact CD1-CD2 4.26Å; K185-L195 HydrophobicContact CB-CB 4.28Å; K185-L195 HydrophobicContact CD-CB 3.99Å; K185-L195 HydrophobicContact CG-CB 3.83Å; K185-L195 HydrophobicContact CG-CD1 4.48Å; A188-L195 HydrophobicContact CB-CD2 3.68Å; G193-L195 PolarHBondContact O-N 3.37Å; G193-L195 VanDerWaalsContact O-N 3.07Å; L195-A355 HydrophobicContact CD1-CB 3.72Å
196L89.5Confident90.6Very high15 Ų1535.7 Ų35.78%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-127.7138.4-169.1-64.7146.9000111R186 A187 L194 D198 K201 L202 H205R186-L196 PolarHBondContact N-O 3.02Å; A187-L196 PolarHBondContact N-O 3.35Å; A187-L196 PolarHBondContact O-N 3.37Å; L194-L196 HydrophobicContact CD2-CD2 3.98Å; L194-L196 HydrophobicContact CD2-CG 4.42Å; L194-L196 HydrophobicContact CG-CD2 4.28Å; L194-L196 HydrophobicContact CG-CG 4.25Å; L194-L196 WeakPolarHBondContact O-CD1 3.3Å; L194-L196 WeakPolarHBondContact O-CG 3.47Å; L196-D198 VanDerWaalsContact C-N 3.26Å; L196-D198 PolarHBondContact O-N 3.34Å; L196-K201 HydrophobicContact CB-CB 4.2Å; L196-K201 HydrophobicContact CD2-CB 3.67Å; L196-L202 HydrophobicContact CD1-CB 3.78Å; L196-L202 HydrophobicContact CD1-CD1 3.53Å; L196-L202 HydrophobicContact CD1-CG 4.23Å; L196-H205 HydrophobicContact CD2-CB 4.42Å
197V88.4Confident90.6Very high69 Ų6930.2 Ų30.242%0.41815%0.149SC..SBendtrans-66.3-29.9-177.4-178.90000111.8K185 R186K185-V197 HydrophobicContact CD-CG2 4.15Å; R186-V197 WeakPolarHBondContact CB-O 3.48Å; R186-V197 WeakPolarHBondContact CD-O 3.36Å; R186-V197 VanDerWaalsContact CG-O 3.29Å; R186-V197 WeakPolarHBondContact CG-O 3.32Å
198D88.4Confident90.4Very high28 Ų2836.8 Ų36.815%0.1517%0.174CC..SBendtrans-156.4173175.668.828000113L196 R200 K201 L202L196-D198 VanDerWaalsContact C-N 3.26Å; L196-D198 PolarHBondContact O-N 3.34Å; D198-R200 PolarHBondContact O-N 3.41Å; D198-R200 WeakPolarHBondContact OD1-CA 3.49Å; D198-R200 VanDerWaalsContact OD1-CB 3.27Å; D198-R200 WeakPolarHBondContact OD1-CB 3.5Å; D198-R200 PolarHBondContact OD1-N 3.37Å; D198-R200 IonicContact OD1-NE 3.92Å; D198-R200 IonicContact OD2-CZ 2.83Å; D198-R200 IonicContact OD2-NE 2.92Å; D198-R200 PolarHBondContact OD2-NE 2.87Å; D198-R200 IonicContact OD2-NH2 2.76Å; D198-R200 PolarHBondContact OD2-NH2 3.39Å; D198-K201 WeakPolarHBondContact O-CB 3.37Å; D198-K201 PolarHBondContact O-N 2.87Å; D198-K201 WeakPolarHBondContact OD1-CG 3.41Å; D198-K201 PolarHBondContact OD1-N 3.41Å; D198-L202 PolarHBondContact O-N 3.11Å
199F92.7Very high90.1Very high43 Ų4338.3 Ų38.319%0.18918%0.181CC..Hα-helixtrans-65.7-22.8178-54.1-38.2000114.2L9 I88 V92 W98 R186 A187 K201 L202 E203L9-F199 HydrophobicContact CD1-CE2 3.8Å; L9-F199 HydrophobicContact CD1-CZ 3.85Å; L9-F199 HydrophobicContact CD2-CE2 4.26Å; L9-F199 HydrophobicContact CD2-CZ 4.15Å; L9-F199 HydrophobicContact CG-CE2 4.16Å; L9-F199 HydrophobicContact CG-CZ 4.38Å; I88-F199 HydrophobicContact CG2-CE1 3.5Å; I88-F199 VanDerWaalsContact CG2-CE1 3.5Å; I88-F199 HydrophobicContact CG2-CZ 3.6Å; V92-F199 HydrophobicContact CB-CD1 4.48Å; V92-F199 HydrophobicContact CG1-CB 4.19Å; V92-F199 HydrophobicContact CG1-CD1 4.2Å; V92-F199 HydrophobicContact CG1-CG 4.06Å; V92-F199 HydrophobicContact CG2-CD1 4.06Å; V92-F199 HydrophobicContact CG2-CD2 4.33Å; V92-F199 HydrophobicContact CG2-CE1 3.9Å; V92-F199 HydrophobicContact CG2-CE2 4.13Å; V92-F199 HydrophobicContact CG2-CG 4.31Å; V92-F199 HydrophobicContact CG2-CZ 3.93Å; W98-F199 HydrophobicContact CH2-CB 4.42Å; R186-F199 WeakPolarHBondContact O-CE1 3.42Å; A187-F199 HydrophobicContact CB-CD1 3.64Å; A187-F199 HydrophobicContact CB-CE1 3.74Å; F199-K201 VanDerWaalsContact C-N 3.33Å; F199-L202 PolarHBondContact O-N 3.01Å; F199-E203 PolarHBondContact O-N 3.44Å
200R90.5Very high89.7Confident143 Ų14339.2 Ų39.254%0.5419%0.185SC..Hα-helixtrans-71.1-35.3176.1-56.6174.5-66.1164.8-3.6110.2D198 E203 D204D198-R200 PolarHBondContact O-N 3.41Å; D198-R200 WeakPolarHBondContact OD1-CA 3.49Å; D198-R200 VanDerWaalsContact OD1-CB 3.27Å; D198-R200 WeakPolarHBondContact OD1-CB 3.5Å; D198-R200 PolarHBondContact OD1-N 3.37Å; D198-R200 IonicContact OD1-NE 3.92Å; D198-R200 IonicContact OD2-CZ 2.83Å; D198-R200 IonicContact OD2-NE 2.92Å; D198-R200 PolarHBondContact OD2-NE 2.87Å; D198-R200 IonicContact OD2-NH2 2.76Å; D198-R200 PolarHBondContact OD2-NH2 3.39Å; R200-E203 PolarHBondContact O-N 3.31Å; R200-D204 WeakPolarHBondContact O-CB 3.35Å; R200-D204 PolarHBondContact O-N 3.22Å
201K90.1Very high89.2Confident106 Ų10637.6 Ų37.646%0.46118%0.175SC..Hα-helixtrans-68.4-37173.1-64.4-63.3-176.21740111.2L196 D198 F199 D204 H205L196-K201 HydrophobicContact CB-CB 4.2Å; L196-K201 HydrophobicContact CD2-CB 3.67Å; D198-K201 WeakPolarHBondContact O-CB 3.37Å; D198-K201 PolarHBondContact O-N 2.87Å; D198-K201 WeakPolarHBondContact OD1-CG 3.41Å; D198-K201 PolarHBondContact OD1-N 3.41Å; F199-K201 VanDerWaalsContact C-N 3.33Å; K201-D204 PolarHBondContact O-N 2.98Å; K201-H205 WeakPolarHBondContact O-CB 3.44Å; K201-H205 PolarHBondContact O-N 2.87Å
202L92.5Very high88.4Confident0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-60.8-48.9171.1-177.357.3000111.6W98 A187 C189 L196 D198 F199 D204 H205 L206W98-L202 HydrophobicContact CZ3-CB 4.47Å; W98-L202 HydrophobicContact CZ3-CD2 4.39Å; W98-L202 HydrophobicContact CZ3-CG 4.32Å; A187-L202 HydrophobicContact CB-CD2 4.35Å; C189-L202 HydrophobicContact CB-CD1 4.13Å; L196-L202 HydrophobicContact CD1-CB 3.78Å; L196-L202 HydrophobicContact CD1-CD1 3.53Å; L196-L202 HydrophobicContact CD1-CG 4.23Å; D198-L202 PolarHBondContact O-N 3.11Å; F199-L202 PolarHBondContact O-N 3.01Å; L202-D204 VanDerWaalsContact C-N 3.32Å; L202-D204 PolarHBondContact O-N 2.9Å; L202-H205 WeakPolarHBondContact O-CB 3.4Å; L202-H205 PolarHBondContact O-N 3.44Å; L202-H205 VanDerWaalsContact O-N 3.17Å; L202-L206 HydrophobicContact CD1-CD1 4.01Å; L202-L206 HydrophobicContact CD1-CG 4.14Å; L202-L206 HydrophobicContact CG-CD1 4.05Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.47Å
203E92.9Very high87.4Confident25 Ų2542.9 Ų42.912%0.11720%0.197CC..Hα-helixtrans-55.6-46.7174.5-175.8-179.417700111.8R5 W98 F199 R200 H205 K207R5-E203 IonicContact NH1-OE2 3.19Å; R5-E203 PolarHBondContact NH1-OE2 2.95Å; R5-E203 IonicContact NH2-OE2 3.86Å; W98-E203 HydrophobicContact CD2-CB 4.29Å; W98-E203 HydrophobicContact CD2-CG 4.28Å; W98-E203 HydrophobicContact CE3-CB 4.23Å; W98-E203 HydrophobicContact CH2-CB 3.73Å; W98-E203 HydrophobicContact CH2-CG 4.36Å; W98-E203 HydrophobicContact CZ2-CB 3.78Å; W98-E203 HydrophobicContact CZ2-CG 3.89Å; W98-E203 HydrophobicContact CZ3-CB 3.95Å; F199-E203 PolarHBondContact O-N 3.44Å; R200-E203 PolarHBondContact O-N 3.31Å; E203-H205 PolarHBondContact O-N 3.16Å; E203-K207 HydrophobicContact CG-CD 3.84Å; E203-K207 HydrophobicContact CG-CG 4.42Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CG 3.34Å; E203-K207 PolarHBondContact O-N 3.34Å; E203-K207 IonicContact OE1-NZ 3.49Å; E203-K207 PolarHBondContact OE1-NZ 2.84Å
204D91.1Very high86.3Confident6 Ų643.8 Ų43.83%0.03220%0.199CC..Hα-helixtrans-62-42.3177.5-80.9-17.8000112R200 K201 L202 R208 R244R200-D204 WeakPolarHBondContact O-CB 3.35Å; R200-D204 PolarHBondContact O-N 3.22Å; K201-D204 PolarHBondContact O-N 2.98Å; L202-D204 VanDerWaalsContact C-N 3.32Å; L202-D204 PolarHBondContact O-N 2.9Å; D204-R208 WeakPolarHBondContact O-CB 3.46Å; D204-R208 VanDerWaalsContact O-CD 3.31Å; D204-R208 WeakPolarHBondContact O-CD 3.3Å; D204-R208 WeakPolarHBondContact O-CG 3.44Å; D204-R208 PolarHBondContact O-N 2.61Å; D204-R208 VanDerWaalsContact O-N 3.07Å; D204-R244 IonicContact OD1-CZ 2.79Å; D204-R244 IonicContact OD1-NH1 3.88Å; D204-R244 IonicContact OD1-NH2 3.9Å; D204-R244 PolarHBondContact OD1-NH2 3.44Å; D204-R244 IonicContact OD2-CZ 3.54Å; D204-R244 IonicContact OD2-NH1 3.67Å; D204-R244 PolarHBondContact OD2-NH1 3.42Å; D204-R244 IonicContact OD2-NH2 2.75Å; D204-R244 PolarHBondContact OD2-NH2 3.32Å
205H90.6Very high85Confident32 Ų3245.7 Ų45.715%0.14821%0.21CC..Hα-helixtrans-58.9-54.6178.8165.975.4000111C101 C192 L194 L196 K201 L202 E203 Q209C101-H205 PolarHBondContact SG-NE2 3.06Å; C101-H205 VanDerWaalsContact SG-NE2 3.37Å; C192-H205 PolarHBondContact SG-NE2 3.21Å; C192-H205 VanDerWaalsContact SG-NE2 3.39Å; L194-H205 HydrophobicContact CD2-CB 4.48Å; L194-H205 WeakPolarHBondContact CD2-ND1 3.43Å; L196-H205 HydrophobicContact CD2-CB 4.42Å; K201-H205 WeakPolarHBondContact O-CB 3.44Å; K201-H205 PolarHBondContact O-N 2.87Å; L202-H205 WeakPolarHBondContact O-CB 3.4Å; L202-H205 PolarHBondContact O-N 3.44Å; L202-H205 VanDerWaalsContact O-N 3.17Å; E203-H205 PolarHBondContact O-N 3.16Å; H205-Q209 PolarHBondContact CE1-NE2 3.18Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.3Å
206L91.4Very high83.8Confident0 Ų052.3 Ų52.30%024%0.238CC..Hα-helixtrans-64.8-50-177-60.3169.2000111.5L93 W98 P99 C101 L202 R208 Q209L93-L206 HydrophobicContact CD1-CD1 3.79Å; L93-L206 HydrophobicContact CD1-CD2 4.47Å; L93-L206 HydrophobicContact CG-CD1 4.29Å; W98-L206 HydrophobicContact CB-CD1 4.17Å; W98-L206 HydrophobicContact CE3-CD1 4.16Å; P99-L206 HydrophobicContact CG-CB 4.09Å; C101-L206 HydrophobicContact CB-CD2 3.63Å; L202-L206 HydrophobicContact CD1-CD1 4.01Å; L202-L206 HydrophobicContact CD1-CG 4.14Å; L202-L206 HydrophobicContact CG-CD1 4.05Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.47Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.43Å; L206-Q209 PolarHBondContact O-N 3.23Å
207K90.7Very high82.3Confident16 Ų1653.9 Ų53.97%0.0725%0.25CS..Hα-helixtrans-71.1-26-175.3-62.1-175.8175.6178.40113.3P99 E203 I211 S227 I228 T242P99-K207 HydrophobicContact CG-CG 4.16Å; E203-K207 HydrophobicContact CG-CD 3.84Å; E203-K207 HydrophobicContact CG-CG 4.42Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CG 3.34Å; E203-K207 PolarHBondContact O-N 3.34Å; E203-K207 IonicContact OE1-NZ 3.49Å; E203-K207 PolarHBondContact OE1-NZ 2.84Å; K207-I211 PolarHBondContact O-N 3.33Å; K207-S227 PolarHBondContact NZ-O 2.89Å; K207-I228 HydrophobicContact CB-CD1 4.39Å; K207-I228 HydrophobicContact CB-CG1 4.44Å; K207-I228 HydrophobicContact CD-CG1 4.36Å; K207-I228 HydrophobicContact CG-CD1 4.41Å; K207-I228 HydrophobicContact CG-CG1 4.12Å; K207-T242 HydrophobicContact CD-CG2 4.35Å
208R87.7Confident80.9Confident139 Ų13956.6 Ų56.653%0.52527%0.267SS..Hα-helixtrans-69.3-34.4176.8-80.1172.8-176.9-154.83.9112.6D204 L206 Q210 I211 H212 L245D204-R208 WeakPolarHBondContact O-CB 3.46Å; D204-R208 VanDerWaalsContact O-CD 3.31Å; D204-R208 WeakPolarHBondContact O-CD 3.3Å; D204-R208 WeakPolarHBondContact O-CG 3.44Å; D204-R208 PolarHBondContact O-N 2.61Å; D204-R208 VanDerWaalsContact O-N 3.07Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.43Å; R208-Q210 VanDerWaalsContact C-N 3.28Å; R208-Q210 PolarHBondContact O-N 2.64Å; R208-I211 PolarHBondContact O-N 3.37Å; R208-H212 WeakPolarHBondContact O-CB 3.21Å; R208-H212 PolarHBondContact O-N 3.06Å; R208-L245 HydrophobicContact CG-CD1 4.17Å
209Q85Confident79.4Confident31 Ų3161.7 Ų61.715%0.14530%0.295CS..Hα-helixtrans-60.8-41177.5-69.7171.9-17.500111C101 L102 S103 H205 L206 H212C101-Q209 VanDerWaalsContact CA-OE1 3.32Å; C101-Q209 PolarHBondContact SG-NE2 3.33Å; C101-Q209 PolarHBondContact SG-OE1 2.83Å; L102-Q209 HydrophobicContact CB-CB 4.4Å; L102-Q209 HydrophobicContact CD1-CB 4.29Å; L102-Q209 HydrophobicContact CG-CB 4.43Å; S103-Q209 PolarHBondContact OG-NE2 2.97Å; H205-Q209 PolarHBondContact CE1-NE2 3.18Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.3Å; L206-Q209 PolarHBondContact O-N 3.23Å; Q209-H212 PolarHBondContact O-N 3.07Å
210Q83.7Confident78Confident19 Ų1963.5 Ų63.59%0.08930%0.303CS..Hα-helixtrans-65.6-44.4178.2-58.3-64.7-22.700112.4P99 R208 H212 L213 L224 I228P99-Q210 HydrophobicContact CB-CG 3.97Å; P99-Q210 HydrophobicContact CG-CG 4.11Å; R208-Q210 VanDerWaalsContact C-N 3.28Å; R208-Q210 PolarHBondContact O-N 2.64Å; Q210-H212 VanDerWaalsContact C-N 3.33Å; Q210-H212 PolarHBondContact O-N 3.01Å; Q210-L213 WeakPolarHBondContact O-CB 3.38Å; Q210-L213 PolarHBondContact O-N 3.19Å; Q210-L224 HydrophobicContact CB-CD2 4.32Å; Q210-I228 HydrophobicContact CB-CD1 3.36Å; Q210-I228 HydrophobicContact CG-CD1 3.55Å
211I81.4Confident76.9Confident5 Ų563.9 Ų63.93%0.02631%0.308CS..Hα-helixtrans-70.5-28.9178.4-61.6-61.2000112.7K207 R208 L213 L214 N215 L224 I228 P230 V239K207-I211 PolarHBondContact O-N 3.33Å; R208-I211 PolarHBondContact O-N 3.37Å; I211-L213 PolarHBondContact O-N 3.22Å; I211-L214 HydrophobicContact CD1-CD1 3.55Å; I211-L214 PolarHBondContact O-N 3.45Å; I211-N215 PolarHBondContact O-N 3.14Å; I211-N215 PolarHBondContact O-ND2 3.2Å; I211-L224 HydrophobicContact CD1-CD2 4.43Å; I211-I228 HydrophobicContact CD1-CG2 3.7Å; I211-I228 HydrophobicContact CG1-CG2 4.34Å; I211-P230 HydrophobicContact CD1-CB 3.8Å; I211-V239 HydrophobicContact CD1-CG1 4.25Å; I211-V239 HydrophobicContact CG2-CB 4.01Å; I211-V239 HydrophobicContact CG2-CG1 3.87Å; I211-V239 VanDerWaalsContact CG2-O 3.32Å; I211-V239 WeakPolarHBondContact CG2-O 3.35Å
212H73.5Confident75.8Confident105 Ų10567.7 Ų67.749%0.48633%0.327SS..Hα-helixtrans-60.7-31.2175179-106000111.9R208 Q209 Q210 K216R208-H212 WeakPolarHBondContact O-CB 3.21Å; R208-H212 PolarHBondContact O-N 3.06Å; Q209-H212 PolarHBondContact O-N 3.07Å; Q210-H212 VanDerWaalsContact C-N 3.33Å; Q210-H212 PolarHBondContact O-N 3.01Å; H212-K216 WeakPolarHBondContact CE1-CE 3.44Å; H212-K216 PolarHBondContact CE1-NZ 2.96Å
213L67.2Low74.9Confident56 Ų5673.3 Ų73.329%0.29336%0.358SS..Hα-helixtrans-67.3-41.5173.7-58.3177.3000112.3L102 Q210 I211 N215 K216 S217 F220L102-L213 HydrophobicContact CD1-CD1 3.67Å; L102-L213 HydrophobicContact CD1-CG 4.47Å; Q210-L213 WeakPolarHBondContact O-CB 3.38Å; Q210-L213 PolarHBondContact O-N 3.19Å; I211-L213 PolarHBondContact O-N 3.22Å; L213-N215 VanDerWaalsContact C-N 3.34Å; L213-N215 PolarHBondContact O-N 3.44Å; L213-K216 PolarHBondContact O-N 3.25Å; L213-K216 VanDerWaalsContact O-N 3.09Å; L213-S217 PolarHBondContact O-N 3.35Å; L213-F220 HydrophobicContact CB-CD1 4.05Å; L213-F220 HydrophobicContact CB-CE1 4.41Å; L213-F220 HydrophobicContact CB-CG 4.37Å; L213-F220 HydrophobicContact CD1-CD1 4.47Å; L213-F220 HydrophobicContact CD1-CE1 4.38Å
214L65.4Low74.3Confident27 Ų2773.6 Ų73.614%0.14136%0.36CS..Hα-helixtrans-62.3-37.5175.5-62.1173.7000113.6I211 K216 S217 F220 K221 L224 P230 V239I211-L214 HydrophobicContact CD1-CD1 3.55Å; I211-L214 PolarHBondContact O-N 3.45Å; L214-K216 PolarHBondContact O-N 2.95Å; L214-S217 CarbonylContact O-C 3.55Å; L214-S217 PolarHBondContact O-N 2.9Å; L214-S217 VanDerWaalsContact O-O 3.11Å; L214-F220 HydrophobicContact CD2-CB 3.7Å; L214-F220 WeakPolarHBondContact CD2-O 3.26Å; L214-K221 HydrophobicContact CD2-CB 4.32Å; L214-L224 HydrophobicContact CD1-CD1 3.54Å; L214-L224 HydrophobicContact CD1-CD2 3.74Å; L214-L224 HydrophobicContact CD1-CG 4.12Å; L214-L224 HydrophobicContact CD2-CD1 3.87Å; L214-L224 HydrophobicContact CD2-CD2 4.03Å; L214-L224 HydrophobicContact CD2-CG 3.97Å; L214-L224 HydrophobicContact CG-CD1 4.16Å; L214-L224 HydrophobicContact CG-CD2 3.84Å; L214-L224 HydrophobicContact CG-CG 4.29Å; L214-P230 HydrophobicContact CD1-CB 4.2Å; L214-V239 HydrophobicContact CD1-CG1 4.37Å
215N62.5Low74Confident82 Ų8275.6 Ų75.644%0.43937%0.369SS..Hα-helixtrans-69.3-17.3178.9-70.5-51.4000111.9I211 L213I211-N215 PolarHBondContact O-N 3.14Å; I211-N215 PolarHBondContact O-ND2 3.2Å; L213-N215 VanDerWaalsContact C-N 3.34Å; L213-N215 PolarHBondContact O-N 3.44Å
216K64.6Low73.8Confident152 Ų15280.1 Ų80.166%0.66139%0.39SS*.Hα-helixtrans-90.5-31.6176.4-73.1-177.8172.3-1770113.3H212 L213 L214H212-K216 WeakPolarHBondContact CE1-CE 3.44Å; H212-K216 PolarHBondContact CE1-NZ 2.96Å; L213-K216 PolarHBondContact O-N 3.25Å; L213-K216 VanDerWaalsContact O-N 3.09Å; L214-K216 PolarHBondContact O-N 2.95Å
217S58.7Low73.5Confident47 Ų4781.5 Ų81.533%0.32940%0.4SS..  trans-150.3134.5179.6168.30000112.1L213 L214 N219L213-S217 PolarHBondContact O-N 3.35Å; L214-S217 CarbonylContact O-C 3.55Å; L214-S217 PolarHBondContact O-N 2.9Å; L214-S217 VanDerWaalsContact O-O 3.11Å; S217-N219 VanDerWaalsContact C-N 3.31Å; S217-N219 PolarHBondContact O-N 3.48Å
218T57.7Low73.2Confident127 Ų12781.3 Ų81.378%0.77940%0.399SS*.G310 helixtrans-68.8-24.4-175.745.70000113.8F220T218-F220 VanDerWaalsContact C-N 3.28Å; T218-F220 PolarHBondContact O-N 3.2Å
219N58.4Low73.1Confident135 Ų13582.9 Ų82.972%0.72241%0.41SS*.G310 helixtrans-79.4-3.8-177.9-73.9-8.1000114S217 K221S217-N219 VanDerWaalsContact C-N 3.31Å; S217-N219 PolarHBondContact O-N 3.48Å; N219-K221 VanDerWaalsContact C-N 3.25Å; N219-K221 PolarHBondContact O-N 2.96Å
220F63Low73.1Confident81 Ų8183.8 Ų83.836%0.35542%0.418SS..G310 helixtrans-77.9-2.1-177.3-92.6-93.4000114.9L213 L214 T218 E222 N223L213-F220 HydrophobicContact CB-CD1 4.05Å; L213-F220 HydrophobicContact CB-CE1 4.41Å; L213-F220 HydrophobicContact CB-CG 4.37Å; L213-F220 HydrophobicContact CD1-CD1 4.47Å; L213-F220 HydrophobicContact CD1-CE1 4.38Å; L214-F220 HydrophobicContact CD2-CB 3.7Å; L214-F220 WeakPolarHBondContact CD2-O 3.26Å; T218-F220 VanDerWaalsContact C-N 3.28Å; T218-F220 PolarHBondContact O-N 3.2Å; F220-E222 VanDerWaalsContact C-N 3.26Å; F220-E222 PolarHBondContact O-N 3.26Å; F220-N223 HydrophobicContact CD1-CB 4.48Å; F220-N223 PolarHBondContact O-N 2.98Å; F220-N223 VanDerWaalsContact O-N 3.16Å
221K66.2Low73.3Confident151 Ų15184.8 Ų84.866%0.65743%0.425SS*.G310 helixtrans-62.4-34.5-174.8-167.1-177175.4-167.10112.5L214 N219 N223 L224L214-K221 HydrophobicContact CD2-CB 4.32Å; N219-K221 VanDerWaalsContact C-N 3.25Å; N219-K221 PolarHBondContact O-N 2.96Å; K221-N223 VanDerWaalsContact C-N 3.28Å; K221-N223 PolarHBondContact O-N 3.47Å; K221-L224 HydrophobicContact CG-CD1 4.22Å; K221-L224 PolarHBondContact O-N 3.26Å
222E66.9Low73.5Confident185 Ų18590 Ų9086%0.86445%0.448SS*.G310 helixtrans-70.1-24.6180-66.2178.1171.900112.6F220F220-E222 VanDerWaalsContact C-N 3.26Å; F220-E222 PolarHBondContact O-N 3.26Å
223N74.2Confident73.9Confident119 Ų11985 Ų8564%0.63643%0.425SS*.G310 helixtrans-94.212.8-178.6-66.3-27.6000113.6F220 K221F220-N223 HydrophobicContact CD1-CB 4.48Å; F220-N223 PolarHBondContact O-N 2.98Å; F220-N223 VanDerWaalsContact O-N 3.16Å; K221-N223 VanDerWaalsContact C-N 3.28Å; K221-N223 PolarHBondContact O-N 3.47Å
224L80.3Confident74.5Confident30 Ų3086.5 Ų86.516%0.15744%0.44CS..SBendtrans-76.8136.9176.8-70.5169000110.9Q210 I211 L214 K221 H226 P230Q210-L224 HydrophobicContact CB-CD2 4.32Å; I211-L224 HydrophobicContact CD1-CD2 4.43Å; L214-L224 HydrophobicContact CD1-CD1 3.54Å; L214-L224 HydrophobicContact CD1-CD2 3.74Å; L214-L224 HydrophobicContact CD1-CG 4.12Å; L214-L224 HydrophobicContact CD2-CD1 3.87Å; L214-L224 HydrophobicContact CD2-CD2 4.03Å; L214-L224 HydrophobicContact CD2-CG 3.97Å; L214-L224 HydrophobicContact CG-CD1 4.16Å; L214-L224 HydrophobicContact CG-CD2 3.84Å; L214-L224 HydrophobicContact CG-CG 4.29Å; K221-L224 HydrophobicContact CG-CD1 4.22Å; K221-L224 PolarHBondContact O-N 3.26Å; L224-H226 PolarHBondContact O-N 3.05Å; L224-P230 HydrophobicContact CD1-CG 3.97Å
225H85.8Confident75Confident49 Ų4988.1 Ų88.123%0.22744%0.444CS..  trans-52.9130.6167.2-161-82.6000110.8D97 P99 S227 I228D97-H225 PolarHBondContact O-CE1 3.46Å; D97-H225 IonicContact OD1-CE1 2.72Å; P99-H225 VanDerWaalsContact CA-CD2 3.49Å; P99-H225 WeakPolarHBondContact CA-CD2 3.42Å; P99-H225 HydrophobicContact CB-CB 3.82Å; P99-H225 HydrophobicContact CG-CB 4.36Å; H225-S227 PolarHBondContact CE1-OG 3.24Å; H225-S227 PolarHBondContact ND1-N 3.44Å; H225-S227 PolarHBondContact ND1-OG 3.3Å; H225-S227 PolarHBondContact O-N 3.16Å; H225-I228 HydrophobicContact CB-CD1 3.95Å; H225-I228 HydrophobicContact CB-CG1 4.16Å; H225-I228 VanDerWaalsContact O-CB 3.31Å; H225-I228 WeakPolarHBondContact O-CB 3.44Å; H225-I228 PolarHBondContact O-N 3.04Å
226H86.4Confident75.6Confident126 Ų12686.4 Ų86.458%0.58344%0.438SS*.THydrogen-bonded Turntrans-56.8-28.3-173.866.589.1000113.9D97 L224 I228D97-H226 IonicContact OD1-NE2 3.35Å; D97-H226 IonicContact OD2-CE1 2.69Å; D97-H226 PolarHBondContact OD2-CE1 3.22Å; D97-H226 IonicContact OD2-NE2 3.68Å; D97-H226 PolarHBondContact OD2-NE2 3.32Å; L224-H226 PolarHBondContact O-N 3.05Å; H226-I228 PolarHBondContact O-N 3.39Å
227S84.8Confident76.2Confident30 Ų3082.7 Ų82.721%0.2142%0.42CS..THydrogen-bonded Turntrans-73.31.2176.169.90000114.4D97 K207 H225D97-S227 VanDerWaalsContact O-CB 3.26Å; D97-S227 WeakPolarHBondContact O-CB 3.48Å; D97-S227 PolarHBondContact O-OG 2.91Å; K207-S227 PolarHBondContact NZ-O 2.89Å; H225-S227 PolarHBondContact CE1-OG 3.24Å; H225-S227 PolarHBondContact ND1-N 3.44Å; H225-S227 PolarHBondContact ND1-OG 3.3Å; H225-S227 PolarHBondContact O-N 3.16Å
228I84.9Confident77.1Confident11 Ų1186.8 Ų86.86%0.05643%0.428CS..  trans-104.7118.7177.9-57.4178.3000110.2P99 K207 Q210 I211 H225 H226 P230P99-I228 HydrophobicContact CG-CD1 4.19Å; K207-I228 HydrophobicContact CB-CD1 4.39Å; K207-I228 HydrophobicContact CB-CG1 4.44Å; K207-I228 HydrophobicContact CD-CG1 4.36Å; K207-I228 HydrophobicContact CG-CD1 4.41Å; K207-I228 HydrophobicContact CG-CG1 4.12Å; Q210-I228 HydrophobicContact CB-CD1 3.36Å; Q210-I228 HydrophobicContact CG-CD1 3.55Å; I211-I228 HydrophobicContact CD1-CG2 3.7Å; I211-I228 HydrophobicContact CG1-CG2 4.34Å; H225-I228 HydrophobicContact CB-CD1 3.95Å; H225-I228 HydrophobicContact CB-CG1 4.16Å; H225-I228 VanDerWaalsContact O-CB 3.31Å; H225-I228 WeakPolarHBondContact O-CB 3.44Å; H225-I228 PolarHBondContact O-N 3.04Å; H226-I228 PolarHBondContact O-N 3.39Å; I228-P230 WeakPolarHBondContact O-CD 3.36Å
229K84.8Confident78.4Confident173 Ų17382 Ų8275%0.75240%0.399SS*.  trans-10794.6168.5-64.6-175.3-178.4-175.50108.3V231K229-V231 WeakPolarHBondContact O-CG2 3.27Å; K229-V231 PolarHBondContact O-N 3.37Å
230P85.9Confident79.7Confident50 Ų5076.9 Ų76.933%0.32537%0.37SS..  trans-62127.3-178.624.8-32.7000109.9I211 L214 L224 I228 V239 F240I211-P230 HydrophobicContact CD1-CB 3.8Å; L214-P230 HydrophobicContact CD1-CB 4.2Å; L224-P230 HydrophobicContact CD1-CG 3.97Å; I228-P230 WeakPolarHBondContact O-CD 3.36Å; P230-V239 HydrophobicContact CB-CG1 3.53Å; P230-F240 WeakPolarHBondContact CA-O 3.44Å
231V87.2Confident80.9Confident39 Ų3973.3 Ų73.324%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-111125.2175.2-158.50000109.5K229 F240 L246K229-V231 WeakPolarHBondContact O-CG2 3.27Å; K229-V231 PolarHBondContact O-N 3.37Å; V231-F240 PolarHBondContact N-O 2.87Å; V231-F240 PolarHBondContact O-N 2.91Å; V231-L246 HydrophobicContact CB-CD2 4.05Å; V231-L246 HydrophobicContact CG1-CD2 3.41Å; V231-L246 VanDerWaalsContact CG1-CD2 3.41Å
232K85.2Confident81.8Confident115 Ų11567.1 Ų67.150%0.533%0.33SS..EExtended strand (participates in β ladder)trans-93.3133.2-178.2-170.1176.7-179.8-178.10110.3S234 R237 V239K232-S234 PolarHBondContact O-N 3.46Å; K232-R237 VanDerWaalsContact CE-CB 3.42Å; K232-R237 WeakPolarHBondContact CG-O 3.49Å; K232-V239 HydrophobicContact CG-CG2 4.35Å
233C82.7Confident82.8Confident0 Ų063.1 Ų63.10%031%0.312CS..  trans-66.8122.7167.6177.20000109.8R235 C236 R237 R238 F240 L246 M250 H253C233-R235 PolarHBondContact O-N 3.16Å; C233-R235 PolarHBondContact SG-N 3.02Å; C233-R235 VanDerWaalsContact SG-N 3.4Å; C233-C236 PolarHBondContact SG-N 2.71Å; C233-C236 VanDerWaalsContact SG-SG 3.63Å; C233-R237 WeakPolarHBondContact O-CA 3.35Å; C233-R237 PolarHBondContact O-N 3.15Å; C233-R238 PolarHBondContact N-O 3.47Å; C233-F240 HydrophobicContact CB-CE2 4.08Å; C233-L246 HydrophobicContact CB-CD1 3.6Å; C233-M250 HydrophobicContact CB-CE 4.34Å; C233-M250 VanDerWaalsContact SG-CE 3.58Å; C233-M250 VanDerWaalsContact SG-SD 3.65Å; C233-H253 PolarHBondContact SG-NE2 3.4Å
234S79Confident83.4Confident87 Ų8762.4 Ų62.461%0.60830%0.3SS*.THydrogen-bonded Turntrans-65.2-16.6177.955.30000113.8K232K232-S234 PolarHBondContact O-N 3.46Å
235R74.9Confident83.7Confident61 Ų6161.6 Ų61.623%0.2330%0.296CS..THydrogen-bonded Turntrans-99.5-51-174.7-55.3-55.8-176.4-178.1-0.4113.6C233 L489C233-R235 PolarHBondContact O-N 3.16Å; C233-R235 PolarHBondContact SG-N 3.02Å; C233-R235 VanDerWaalsContact SG-N 3.4Å; R235-L489 HydrophobicContact CG-CD1 4.38Å
236C75.4Confident83.8Confident47 Ų4759.6 Ų59.632%0.31829%0.286SS..THydrogen-bonded Turntrans-103.9-0.3177.969.90000114.2C233 R238 H249C233-C236 PolarHBondContact SG-N 2.71Å; C233-C236 VanDerWaalsContact SG-SG 3.63Å; C236-R238 PolarHBondContact O-N 3.04Å; C236-R238 WeakPolarHBondContact SG-CB 3.35Å; C236-H249 VanDerWaalsContact SG-CE1 3.6Å; C236-H249 PolarHBondContact SG-NE2 3.23Å
237R77.3Confident83.8Confident73 Ų7356.4 Ų56.428%0.27527%0.273SS..  trans62.75.7179.9-59.2180177.1-146.2-6.6115.3K232 C233 I476 S477 D478K232-R237 VanDerWaalsContact CE-CB 3.42Å; K232-R237 WeakPolarHBondContact CG-O 3.49Å; C233-R237 WeakPolarHBondContact O-CA 3.35Å; C233-R237 PolarHBondContact O-N 3.15Å; R237-I476 WeakPolarHBondContact CD-O 3.44Å; R237-I476 PolarHBondContact NE-O 2.98Å; R237-I476 PolarHBondContact NH1-O 3.48Å; R237-S477 PolarHBondContact NH1-O 2.97Å; R237-D478 IonicContact CZ-OD1 3.23Å; R237-D478 IonicContact NH1-OD1 3.8Å; R237-D478 PolarHBondContact NH1-OD1 2.85Å; R237-D478 IonicContact NH2-OD1 3Å; R237-D478 PolarHBondContact NH2-OD1 2.89Å; R237-D478 IonicContact NH2-OD2 2.82Å
238R79Confident83.8Confident134 Ų13458 Ų5851%0.50628%0.284SS..  trans-63.8137.1173-171.5167.3-178.41682.8110.4C233 C236 F240C233-R238 PolarHBondContact N-O 3.47Å; C236-R238 PolarHBondContact O-N 3.04Å; C236-R238 WeakPolarHBondContact SG-CB 3.35Å; R238-F240 HydrophobicContact CB-CE2 3.85Å; R238-F240 HydrophobicContact CB-CZ 4.05Å; R238-F240 HydrophobicContact CG-CE1 4.42Å; R238-F240 HydrophobicContact CG-CE2 3.86Å; R238-F240 HydrophobicContact CG-CZ 3.71Å; R238-F240 WeakPolarHBondContact O-CD2 3.15Å; R238-F240 WeakPolarHBondContact O-CE2 3.49Å
239V83.9Confident83.8Confident27 Ų2758.6 Ų58.616%0.16429%0.287CS..EExtended strand (participates in β ladder)trans-96.6140.3179.4-1740000110.1I211 L214 P230 K232I211-V239 HydrophobicContact CD1-CG1 4.25Å; I211-V239 HydrophobicContact CG2-CB 4.01Å; I211-V239 HydrophobicContact CG2-CG1 3.87Å; I211-V239 VanDerWaalsContact CG2-O 3.32Å; I211-V239 WeakPolarHBondContact CG2-O 3.35Å; L214-V239 HydrophobicContact CD1-CG1 4.37Å; P230-V239 HydrophobicContact CB-CG1 3.53Å; K232-V239 HydrophobicContact CG-CG2 4.35Å
240F86.8Confident83.8Confident27 Ų2751.2 Ų51.212%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-126.8151178.9-61.2-89.6000110.3P230 V231 C233 R238 L245 L246 H249P230-F240 WeakPolarHBondContact CA-O 3.44Å; V231-F240 PolarHBondContact N-O 2.87Å; V231-F240 PolarHBondContact O-N 2.91Å; C233-F240 HydrophobicContact CB-CE2 4.08Å; R238-F240 HydrophobicContact CB-CE2 3.85Å; R238-F240 HydrophobicContact CB-CZ 4.05Å; R238-F240 HydrophobicContact CG-CE1 4.42Å; R238-F240 HydrophobicContact CG-CE2 3.86Å; R238-F240 HydrophobicContact CG-CZ 3.71Å; R238-F240 WeakPolarHBondContact O-CD2 3.15Å; R238-F240 WeakPolarHBondContact O-CE2 3.49Å; F240-L245 HydrophobicContact CB-CB 4.28Å; F240-L245 HydrophobicContact CD1-CB 4.14Å; F240-L246 HydrophobicContact CB-CB 4.27Å; F240-L246 HydrophobicContact CD2-CB 4.11Å; F240-L246 HydrophobicContact CD2-CD1 3.58Å; F240-L246 HydrophobicContact CD2-CG 4.46Å; F240-L246 HydrophobicContact CE2-CD1 3.76Å; F240-L246 HydrophobicContact CG-CB 4.27Å; F240-H249 HydrophobicContact CD1-CB 4.46Å; F240-H249 HydrophobicContact CE1-CB 3.63Å; F240-H249 AromaticContact CE1-CG 3.84Å; F240-H249 HydrophobicContact CE2-CB 4.07Å; F240-H249 AromaticContact CE2-CD2 3.47Å; F240-H249 VanDerWaalsContact CE2-CD2 3.47Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.34Å; F240-H249 AromaticContact CE2-CG 3.71Å; F240-H249 AromaticContact CE2-NE2 4Å; F240-H249 HydrophobicContact CZ-CB 3.41Å; F240-H249 VanDerWaalsContact CZ-CB 3.41Å; F240-H249 AromaticContact CZ-CD2 3.37Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.34Å; F240-H249 AromaticContact CZ-CE1 3.92Å; F240-H249 AromaticContact CZ-CG 3.11Å; F240-H249 AromaticContact CZ-ND1 3.5Å; F240-H249 AromaticContact CZ-NE2 3.86Å
241S87.8Confident83.6Confident5 Ų550.8 Ų50.84%0.03525%0.248CC..SBendtrans-77.4-21.1-178.348.20000114.4L245S241-L245 WeakPolarHBondContact OG-CD1 3.29Å
242T85.3Confident83.3Confident21 Ų2153.2 Ų53.213%0.12925%0.253CS..SBendtrans-143.2151.4-178.567.70000111.1K207 R244 L245 L246K207-T242 HydrophobicContact CD-CG2 4.35Å; T242-R244 PolarHBondContact O-N 3.16Å; T242-L245 PolarHBondContact O-N 2.94Å; T242-L245 WeakPolarHBondContact OG1-CG 3.36Å; T242-L245 PolarHBondContact OG1-N 3.38Å; T242-L246 PolarHBondContact O-N 2.94Å
243Q87.3Confident83Confident102 Ų10249.5 Ų49.548%0.47724%0.237SC..Hα-helixtrans-57.1-38.4176.3-175.76410.500112.2L245 L246 M247Q243-L245 PolarHBondContact O-N 3.27Å; Q243-L246 WeakPolarHBondContact O-CB 3.41Å; Q243-L246 PolarHBondContact O-N 3.43Å; Q243-M247 HydrophobicContact CG-CG 4.38Å; Q243-M247 VanDerWaalsContact NE2-CE 3.3Å; Q243-M247 VanDerWaalsContact O-CG 3.3Å; Q243-M247 WeakPolarHBondContact O-CG 3.07Å; Q243-M247 PolarHBondContact O-N 3.13Å
244R86.7Confident83Confident103 Ų10349.5 Ų49.539%0.38924%0.237SC..Hα-helixtrans-60.2-45177.8175.8179.453.284.52.9111.9D204 T242 L246 M247 S248D204-R244 IonicContact OD1-CZ 2.79Å; D204-R244 IonicContact OD1-NH1 3.88Å; D204-R244 IonicContact OD1-NH2 3.9Å; D204-R244 PolarHBondContact OD1-NH2 3.44Å; D204-R244 IonicContact OD2-CZ 3.54Å; D204-R244 IonicContact OD2-NH1 3.67Å; D204-R244 PolarHBondContact OD2-NH1 3.42Å; D204-R244 IonicContact OD2-NH2 2.75Å; D204-R244 PolarHBondContact OD2-NH2 3.32Å; T242-R244 PolarHBondContact O-N 3.16Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 2.93Å; R244-M247 PolarHBondContact O-N 2.86Å; R244-S248 PolarHBondContact O-N 3.3Å
245L86.4Confident83.3Confident13 Ų1346.1 Ų46.17%0.06821%0.212CC..Hα-helixtrans-65.2-37.9178.2-69-179.1000111.4R208 F240 S241 T242 Q243 S248 H249R208-L245 HydrophobicContact CG-CD1 4.17Å; F240-L245 HydrophobicContact CB-CB 4.28Å; F240-L245 HydrophobicContact CD1-CB 4.14Å; S241-L245 WeakPolarHBondContact OG-CD1 3.29Å; T242-L245 PolarHBondContact O-N 2.94Å; T242-L245 WeakPolarHBondContact OG1-CG 3.36Å; T242-L245 PolarHBondContact OG1-N 3.38Å; Q243-L245 PolarHBondContact O-N 3.27Å; L245-S248 PolarHBondContact O-N 3.49Å; L245-H249 WeakPolarHBondContact O-CB 3.32Å; L245-H249 PolarHBondContact O-N 3.48Å
246L87.2Confident83.6Confident7 Ų746.5 Ų46.54%0.03722%0.221CC..Hα-helixtrans-61.2-47.5171.4176.463.8000111.6V231 C233 F240 T242 Q243 R244 S248 H249 M250V231-L246 HydrophobicContact CB-CD2 4.05Å; V231-L246 HydrophobicContact CG1-CD2 3.41Å; V231-L246 VanDerWaalsContact CG1-CD2 3.41Å; C233-L246 HydrophobicContact CB-CD1 3.6Å; F240-L246 HydrophobicContact CB-CB 4.27Å; F240-L246 HydrophobicContact CD2-CB 4.11Å; F240-L246 HydrophobicContact CD2-CD1 3.58Å; F240-L246 HydrophobicContact CD2-CG 4.46Å; F240-L246 HydrophobicContact CE2-CD1 3.76Å; F240-L246 HydrophobicContact CG-CB 4.27Å; T242-L246 PolarHBondContact O-N 2.94Å; Q243-L246 WeakPolarHBondContact O-CB 3.41Å; Q243-L246 PolarHBondContact O-N 3.43Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 2.93Å; L246-S248 VanDerWaalsContact C-N 3.34Å; L246-S248 PolarHBondContact O-N 2.64Å; L246-H249 CarbonylContact O-C 3.54Å; L246-H249 WeakPolarHBondContact O-CA 3.18Å; L246-H249 WeakPolarHBondContact O-CB 3.45Å; L246-H249 PolarHBondContact O-N 2.89Å; L246-H249 VanDerWaalsContact O-N 3.08Å; L246-M250 HydrophobicContact CD1-CE 4.04Å; L246-M250 HydrophobicContact CD1-CG 4.27Å; L246-M250 HydrophobicContact CG-CE 4.45Å; L246-M250 HydrophobicContact CG-CG 4.34Å; L246-M250 WeakPolarHBondContact O-CG 3.26Å; L246-M250 PolarHBondContact O-N 3.23Å
247M86.9Confident84Confident59 Ų5946.2 Ų46.229%0.29122%0.218SC..Hα-helixtrans-60.6-43.6178.3-66.6-63.792.700111.6Q243 R244 H249 M250 K251 L507Q243-M247 HydrophobicContact CG-CG 4.38Å; Q243-M247 VanDerWaalsContact NE2-CE 3.3Å; Q243-M247 VanDerWaalsContact O-CG 3.3Å; Q243-M247 WeakPolarHBondContact O-CG 3.07Å; Q243-M247 PolarHBondContact O-N 3.13Å; R244-M247 PolarHBondContact O-N 2.86Å; M247-H249 VanDerWaalsContact C-N 3.27Å; M247-H249 PolarHBondContact O-N 3.11Å; M247-M250 HydrophobicContact CE-CG 4.16Å; M247-M250 PolarHBondContact O-N 3.06Å; M247-K251 PolarHBondContact O-N 3.02Å; M247-L507 HydrophobicContact CB-CD2 4.08Å; M247-L507 WeakPolarHBondContact O-CD2 3.35Å; M247-L507 HydrophobicContact SD-CD2 3.97Å
248S85.5Confident84.5Confident65 Ų6548.5 Ų48.546%0.45523%0.23SC..Hα-helixtrans-61.3-36.9173.7-174.70000112.4R244 L245 L246R244-S248 PolarHBondContact O-N 3.3Å; L245-S248 PolarHBondContact O-N 3.49Å; L246-S248 VanDerWaalsContact C-N 3.34Å; L246-S248 PolarHBondContact O-N 2.64Å
249H84.9Confident84.9Confident23 Ų2342.2 Ų42.211%0.10621%0.207CC..Hα-helixtrans-69.5-39.8175.1164.975.9000112.4C236 F240 L245 L246 M247 K251 R252 H253C236-H249 VanDerWaalsContact SG-CE1 3.6Å; C236-H249 PolarHBondContact SG-NE2 3.23Å; F240-H249 HydrophobicContact CD1-CB 4.46Å; F240-H249 HydrophobicContact CE1-CB 3.63Å; F240-H249 AromaticContact CE1-CG 3.84Å; F240-H249 HydrophobicContact CE2-CB 4.07Å; F240-H249 AromaticContact CE2-CD2 3.47Å; F240-H249 VanDerWaalsContact CE2-CD2 3.47Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.34Å; F240-H249 AromaticContact CE2-CG 3.71Å; F240-H249 AromaticContact CE2-NE2 4Å; F240-H249 HydrophobicContact CZ-CB 3.41Å; F240-H249 VanDerWaalsContact CZ-CB 3.41Å; F240-H249 AromaticContact CZ-CD2 3.37Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.34Å; F240-H249 AromaticContact CZ-CE1 3.92Å; F240-H249 AromaticContact CZ-CG 3.11Å; F240-H249 AromaticContact CZ-ND1 3.5Å; F240-H249 AromaticContact CZ-NE2 3.86Å; L245-H249 WeakPolarHBondContact O-CB 3.32Å; L245-H249 PolarHBondContact O-N 3.48Å; L246-H249 CarbonylContact O-C 3.54Å; L246-H249 WeakPolarHBondContact O-CA 3.18Å; L246-H249 WeakPolarHBondContact O-CB 3.45Å; L246-H249 PolarHBondContact O-N 2.89Å; L246-H249 VanDerWaalsContact O-N 3.08Å; M247-H249 VanDerWaalsContact C-N 3.27Å; M247-H249 PolarHBondContact O-N 3.11Å; H249-K251 PolarHBondContact O-N 3.04Å; H249-K251 VanDerWaalsContact O-N 3.12Å; H249-R252 VanDerWaalsContact O-CB 3.3Å; H249-R252 WeakPolarHBondContact O-CB 3.49Å; H249-R252 PolarHBondContact O-N 2.92Å; H249-H253 AromaticContact CE1-NE2 3.86Å; H249-H253 AromaticContact NE2-CD2 3.77Å; H249-H253 AromaticContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact NE2-NE2 3.42Å; H249-H253 VanDerWaalsContact NE2-NE2 3.19Å
250M83.6Confident85.2Confident17 Ų1745.5 Ų45.58%0.08423%0.228CC..Hα-helixtrans-57.8-28.1179.6-74.7-60.6-161.800112.4C233 L246 M247 R252 H253 L507C233-M250 HydrophobicContact CB-CE 4.34Å; C233-M250 VanDerWaalsContact SG-CE 3.58Å; C233-M250 VanDerWaalsContact SG-SD 3.65Å; L246-M250 HydrophobicContact CD1-CE 4.04Å; L246-M250 HydrophobicContact CD1-CG 4.27Å; L246-M250 HydrophobicContact CG-CE 4.45Å; L246-M250 HydrophobicContact CG-CG 4.34Å; L246-M250 WeakPolarHBondContact O-CG 3.26Å; L246-M250 PolarHBondContact O-N 3.23Å; M247-M250 HydrophobicContact CE-CG 4.16Å; M247-M250 PolarHBondContact O-N 3.06Å; M250-R252 PolarHBondContact O-N 3.07Å; M250-H253 WeakPolarHBondContact O-CB 3.32Å; M250-H253 PolarHBondContact O-N 2.89Å; M250-L507 HydrophobicContact CB-CD1 4.27Å; M250-L507 HydrophobicContact CB-CD2 4.03Å
251K82.4Confident85.4Confident42 Ų4250.5 Ų50.518%0.18325%0.25CS..G310 helixtrans-58-33.6172.2-54.8-174.7-166-171.50112.7M247 H249 H253 I254 L507 E510M247-K251 PolarHBondContact O-N 3.02Å; H249-K251 PolarHBondContact O-N 3.04Å; H249-K251 VanDerWaalsContact O-N 3.12Å; K251-H253 PolarHBondContact O-N 3.26Å; K251-I254 PolarHBondContact O-N 3.34Å; K251-I254 VanDerWaalsContact O-N 3.09Å; K251-L507 VanDerWaalsContact CD-O 3.23Å; K251-L507 WeakPolarHBondContact CD-O 3.44Å; K251-L507 WeakPolarHBondContact CE-O 3.38Å; K251-L507 HydrophobicContact CG-CB 4.47Å; K251-L507 PolarHBondContact NZ-O 3.43Å; K251-E510 IonicContact NZ-OE2 2.87Å; K251-E510 PolarHBondContact NZ-OE2 3.1Å
252R80.3Confident85.3Confident90 Ų9052.1 Ų52.134%0.3426%0.261SS..G310 helixtrans-72.2-14.7177.2-63-17854.9163-3.5113.4H249 M250 I254 D323H249-R252 VanDerWaalsContact O-CB 3.3Å; H249-R252 WeakPolarHBondContact O-CB 3.49Å; H249-R252 PolarHBondContact O-N 2.92Å; M250-R252 PolarHBondContact O-N 3.07Å; R252-I254 VanDerWaalsContact C-N 3.35Å; R252-D323 IonicContact CZ-OD1 2.68Å; R252-D323 VanDerWaalsContact CZ-OD1 3.32Å; R252-D323 IonicContact CZ-OD2 3.86Å; R252-D323 IonicContact NH1-OD1 2.95Å; R252-D323 PolarHBondContact NH1-OD1 3.31Å; R252-D323 IonicContact NH1-OD2 2.78Å; R252-D323 PolarHBondContact NH1-OD2 3.03Å; R252-D323 IonicContact NH2-OD1 2.66Å; R252-D323 PolarHBondContact NH2-OD1 3.46Å; R252-D323 IonicContact NH2-OD2 2.72Å; R252-D323 PolarHBondContact NH2-OD2 2.95Å
253H80Confident85.2Confident37 Ų3755.6 Ų55.617%0.17128%0.279CS..G310 helixtrans-78.3-24.7170.1-75-55.7000112.2C233 H249 M250 K251 L489C233-H253 PolarHBondContact SG-NE2 3.4Å; H249-H253 AromaticContact CE1-NE2 3.86Å; H249-H253 AromaticContact NE2-CD2 3.77Å; H249-H253 AromaticContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact NE2-NE2 3.42Å; H249-H253 VanDerWaalsContact NE2-NE2 3.19Å; M250-H253 WeakPolarHBondContact O-CB 3.32Å; M250-H253 PolarHBondContact O-N 2.89Å; K251-H253 PolarHBondContact O-N 3.26Å; H253-L489 CarbonylContact C-O 3.4Å; H253-L489 HydrophobicContact CB-CB 4.29Å; H253-L489 HydrophobicContact CB-CD1 3.95Å; H253-L489 CarbonylContact O-C 3.6Å
254I82.9Confident85Confident0 Ų052.4 Ų52.40%027%0.265CS..SBendtrans-97.5112.3-175.5-52.3175.1000109.6K251 R252 T256 L489 V492 A495 V504 L507K251-I254 PolarHBondContact O-N 3.34Å; K251-I254 VanDerWaalsContact O-N 3.09Å; R252-I254 VanDerWaalsContact C-N 3.35Å; I254-T256 HydrophobicContact CG2-CG2 4.25Å; I254-L489 VanDerWaalsContact CA-O 3.27Å; I254-L489 WeakPolarHBondContact CA-O 3.49Å; I254-L489 HydrophobicContact CG1-CB 4.13Å; I254-L489 HydrophobicContact CG1-CD1 4.46Å; I254-V492 HydrophobicContact CG2-CG2 4.09Å; I254-A495 HydrophobicContact CD1-CB 3.79Å; I254-A495 HydrophobicContact CG1-CB 3.84Å; I254-A495 HydrophobicContact CG2-CB 4.11Å; I254-V504 HydrophobicContact CD1-CG1 4.45Å; I254-L507 HydrophobicContact CD1-CD1 3.9Å
255N84.3Confident84.9Confident16 Ų1648.8 Ų48.89%0.08625%0.254CS..  trans-80.7125.5169-57.9-33.9000109.8T265 V266 W267 D490N255-T265 WeakPolarHBondContact CB-OG1 3.07Å; N255-T265 PolarHBondContact ND2-O 3.25Å; N255-T265 PolarHBondContact ND2-OG1 2.81Å; N255-V266 CarbonylContact C-O 3.51Å; N255-V266 WeakPolarHBondContact CA-O 3.45Å; N255-V266 VanDerWaalsContact CB-C 3.48Å; N255-V266 WeakPolarHBondContact CB-O 3.49Å; N255-V266 WeakPolarHBondContact OD1-CA 2.94Å; N255-W267 PolarHBondContact OD1-N 3.38Å; N255-D490 VanDerWaalsContact CB-O 3.25Å; N255-D490 WeakPolarHBondContact CB-O 3.24Å
256T82.5Confident84.7Confident68 Ų6848.5 Ų48.542%0.41725%0.253SS..  trans-107.7-14.1-177.659.70000112.5I254 V266 V492 L508I254-T256 HydrophobicContact CG2-CG2 4.25Å; T256-V266 PolarHBondContact N-O 3.31Å; T256-V492 HydrophobicContact CG2-CG2 4.04Å; T256-L508 HydrophobicContact CG2-CD2 3.61Å
257V84Confident84.4Confident41 Ų4152.2 Ų52.225%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-123.8123.3-172.2-164.60000109.5T265 V266 L272V257-T265 CarbonylContact O-C 3.58Å; V257-T265 WeakPolarHBondContact O-CA 3.48Å; V257-V266 HydrophobicContact CB-CG2 4.1Å; V257-V266 PolarHBondContact N-O 3.45Å; V257-V266 PolarHBondContact O-N 3.26Å; V257-L272 HydrophobicContact CG1-CB 4.49Å; V257-L272 HydrophobicContact CG1-CD2 3.62Å
258K85.8Confident84.2Confident121 Ų12150.8 Ų50.853%0.52626%0.262SS..EExtended strand (participates in β ladder)trans-88142.1172.7-167.5-176.5177.91790109.7D263 T265K258-D263 WeakPolarHBondContact CE-OD1 3.49Å; K258-D263 IonicContact NZ-OD1 2.89Å; K258-D263 PolarHBondContact NZ-OD1 3.25Å; K258-T265 HydrophobicContact CB-CG2 4.33Å; K258-T265 HydrophobicContact CG-CG2 4.22Å
259C87.5Confident84.4Confident3 Ų353.9 Ų53.92%0.0227%0.267CS..  trans-67.7135167.8-176.10000110.3F261 M264 L272 H275 H280C259-F261 PolarHBondContact O-N 2.9Å; C259-F261 PolarHBondContact SG-N 3.35Å; C259-F261 VanDerWaalsContact SG-N 3.41Å; C259-M264 HydrophobicContact CB-CB 4.34Å; C259-M264 WeakPolarHBondContact CB-O 3.29Å; C259-M264 PolarHBondContact N-O 3.2Å; C259-L272 HydrophobicContact CB-CD1 3.81Å; C259-H275 PolarHBondContact SG-CD2 3.19Å; C259-H275 PolarHBondContact SG-NE2 3.06Å; C259-H280 PolarHBondContact SG-NE2 3.23Å
260P91.4Very high84.4Confident95 Ų9556.5 Ų56.562%0.61729%0.288SS*.SBendtrans-71.5-18.617627.2-33.3000113.2I276P260-I276 HydrophobicContact CG-CD1 4.48Å
261F89.7Confident84.6Confident132 Ų13256 Ų5658%0.57929%0.287SS*.SBendtrans-106-6.8-173.8-52.8-66.7000114.1C259 I276 H280C259-F261 PolarHBondContact O-N 2.9Å; C259-F261 PolarHBondContact SG-N 3.35Å; C259-F261 VanDerWaalsContact SG-N 3.41Å; F261-I276 HydrophobicContact CD2-CD1 4.41Å; F261-I276 HydrophobicContact CD2-CG1 4.21Å; F261-I276 HydrophobicContact CD2-CG2 4.37Å; F261-I276 HydrophobicContact CE2-CD1 4.16Å; F261-I276 HydrophobicContact CE2-CG1 4.33Å; F261-I276 HydrophobicContact CE2-CG2 4.05Å; F261-H280 HydrophobicContact CB-CB 4.4Å; F261-H280 VanDerWaalsContact CB-CE1 3.44Å; F261-H280 WeakPolarHBondContact CB-CE1 3.37Å; F261-H280 WeakPolarHBondContact CB-ND1 3.33Å; F261-H280 HydrophobicContact CD2-CB 3.98Å; F261-H280 AromaticContact CD2-CD2 3.95Å; F261-H280 AromaticContact CD2-CG 3.89Å; F261-H280 HydrophobicContact CG-CB 4.35Å
262C87.7Confident84.9Confident40 Ų4055 Ų5527%0.2728%0.284SS..SBendtrans-159.5175.1174.369.20000111.6M264 H275 H280C262-M264 PolarHBondContact O-N 2.94Å; C262-M264 VanDerWaalsContact O-N 3.17Å; C262-M264 WeakPolarHBondContact SG-CB 3.47Å; C262-H275 PolarHBondContact SG-NE2 3.47Å; C262-H280 PolarHBondContact SG-NE2 3.16Å
263D83.2Confident85.3Confident93 Ų9355.8 Ų55.850%0.49729%0.291SS..SBendtrans-77.66.1179.9-65.8-45.8000115.1K258 T265K258-D263 WeakPolarHBondContact CE-OD1 3.49Å; K258-D263 IonicContact NZ-OD1 2.89Å; K258-D263 PolarHBondContact NZ-OD1 3.25Å; D263-T265 PolarHBondContact O-N 2.74Å
264M82.9Confident85.7Confident36 Ų3659 Ų5918%0.17730%0.301CS..  trans-64.6131.2176-175.967.5179.200110.7C259 C262 V266C259-M264 HydrophobicContact CB-CB 4.34Å; C259-M264 WeakPolarHBondContact CB-O 3.29Å; C259-M264 PolarHBondContact N-O 3.2Å; C262-M264 PolarHBondContact O-N 2.94Å; C262-M264 VanDerWaalsContact O-N 3.17Å; C262-M264 WeakPolarHBondContact SG-CB 3.47Å; M264-V266 HydrophobicContact CE-CG1 4.08Å; M264-V266 HydrophobicContact CG-CG1 4.22Å
265T83.1Confident85.9Confident27 Ų2760.3 Ų60.317%0.16631%0.307CS..EExtended strand (participates in β ladder)trans-108.9145.5168.462.30000110.3N255 V257 K258 D263 D490N255-T265 WeakPolarHBondContact CB-OG1 3.07Å; N255-T265 PolarHBondContact ND2-O 3.25Å; N255-T265 PolarHBondContact ND2-OG1 2.81Å; V257-T265 CarbonylContact O-C 3.58Å; V257-T265 WeakPolarHBondContact O-CA 3.48Å; K258-T265 HydrophobicContact CB-CG2 4.33Å; K258-T265 HydrophobicContact CG-CG2 4.22Å; D263-T265 PolarHBondContact O-N 2.74Å; T265-D490 PolarHBondContact OG1-O 2.85Å
266V82Confident86.2Confident6 Ų661.6 Ų61.64%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-135.5159.3178.9-61.50000112.1N255 T256 V257 M264 S268 A271 L272N255-V266 CarbonylContact C-O 3.51Å; N255-V266 WeakPolarHBondContact CA-O 3.45Å; N255-V266 VanDerWaalsContact CB-C 3.48Å; N255-V266 WeakPolarHBondContact CB-O 3.49Å; N255-V266 WeakPolarHBondContact OD1-CA 2.94Å; T256-V266 PolarHBondContact N-O 3.31Å; V257-V266 HydrophobicContact CB-CG2 4.1Å; V257-V266 PolarHBondContact N-O 3.45Å; V257-V266 PolarHBondContact O-N 3.26Å; M264-V266 HydrophobicContact CE-CG1 4.08Å; M264-V266 HydrophobicContact CG-CG1 4.22Å; V266-S268 WeakPolarHBondContact CG2-O 3.25Å; V266-A271 HydrophobicContact CB-CB 4.12Å; V266-A271 HydrophobicContact CG2-CB 4.4Å; V266-L272 HydrophobicContact CG2-CB 3.66Å; V266-L272 HydrophobicContact CG2-CD1 4.42Å
267W81.4Confident86.6Confident86 Ų8660 Ų6033%0.32630%0.303SS..SBendtrans-84.4-12.3-174.97085.5000114.9N255 A271N255-W267 PolarHBondContact OD1-N 3.38Å; W267-A271 HydrophobicContact CD2-CB 4.44Å; W267-A271 HydrophobicContact CH2-CB 4.33Å; W267-A271 HydrophobicContact CZ2-CB 4.07Å
268S83.6Confident86.8Confident28 Ų2861.8 Ų61.820%0.19631%0.307CS..SBendtrans-149156.5179.773.60000112.7V266 S270 A271 L272V266-S268 WeakPolarHBondContact CG2-O 3.25Å; S268-S270 PolarHBondContact O-N 3.11Å; S268-S270 PolarHBondContact OG-OG 3Å; S268-A271 WeakPolarHBondContact O-CB 3.35Å; S268-A271 PolarHBondContact O-N 3.38Å; S268-A271 VanDerWaalsContact OG-CB 3.32Å; S268-A271 WeakPolarHBondContact OG-CB 3.3Å; S268-A271 PolarHBondContact OG-N 3.43Å; S268-A271 VanDerWaalsContact OG-N 3.12Å; S268-L272 PolarHBondContact O-N 2.81Å
269K88.4Confident86.9Confident130 Ų13063 Ų6357%0.56531%0.308SS*.Hα-helixtrans-60.6-42.1174.8-172-179.2176.6-177.90112.3A271 L272 E273K269-A271 VanDerWaalsContact C-N 3.29Å; K269-A271 PolarHBondContact O-N 3.19Å; K269-L272 CarbonylContact O-C 3.57Å; K269-L272 WeakPolarHBondContact O-CA 3.46Å; K269-L272 VanDerWaalsContact O-CB 3.29Å; K269-L272 WeakPolarHBondContact O-CB 3.41Å; K269-L272 PolarHBondContact O-N 2.92Å; K269-E273 WeakPolarHBondContact CE-OE1 3.37Å; K269-E273 PolarHBondContact O-N 2.98Å
270S86.6Confident87Confident79 Ų7966.3 Ų66.355%0.55232%0.324SS*.Hα-helixtrans-62.4-3517554.30000113.2S268 L272 R274S268-S270 PolarHBondContact O-N 3.11Å; S268-S270 PolarHBondContact OG-OG 3Å; S270-L272 VanDerWaalsContact C-N 3.31Å; S270-R274 PolarHBondContact O-N 2.79Å; S270-R274 VanDerWaalsContact O-N 3.16Å
271A86Confident86.9Confident6 Ų663.1 Ų63.15%0.0530%0.303CS..Hα-helixtrans-69.6-32.1172.800000111.5V266 W267 S268 K269 H275V266-A271 HydrophobicContact CB-CB 4.12Å; V266-A271 HydrophobicContact CG2-CB 4.4Å; W267-A271 HydrophobicContact CD2-CB 4.44Å; W267-A271 HydrophobicContact CH2-CB 4.33Å; W267-A271 HydrophobicContact CZ2-CB 4.07Å; S268-A271 WeakPolarHBondContact O-CB 3.35Å; S268-A271 PolarHBondContact O-N 3.38Å; S268-A271 VanDerWaalsContact OG-CB 3.32Å; S268-A271 WeakPolarHBondContact OG-CB 3.3Å; S268-A271 PolarHBondContact OG-N 3.43Å; S268-A271 VanDerWaalsContact OG-N 3.12Å; K269-A271 VanDerWaalsContact C-N 3.29Å; K269-A271 PolarHBondContact O-N 3.19Å; A271-H275 VanDerWaalsContact O-CB 3.3Å; A271-H275 WeakPolarHBondContact O-CB 3.39Å; A271-H275 PolarHBondContact O-N 3.49Å
272L89.1Confident86.9Confident22 Ų2261 Ų6112%0.11531%0.305CS..Hα-helixtrans-67.9-48.8174.3177.462.4000111.4V257 C259 V266 S268 K269 S270 R274 H275 I276V257-L272 HydrophobicContact CG1-CB 4.49Å; V257-L272 HydrophobicContact CG1-CD2 3.62Å; C259-L272 HydrophobicContact CB-CD1 3.81Å; V266-L272 HydrophobicContact CG2-CB 3.66Å; V266-L272 HydrophobicContact CG2-CD1 4.42Å; S268-L272 PolarHBondContact O-N 2.81Å; K269-L272 CarbonylContact O-C 3.57Å; K269-L272 WeakPolarHBondContact O-CA 3.46Å; K269-L272 VanDerWaalsContact O-CB 3.29Å; K269-L272 WeakPolarHBondContact O-CB 3.41Å; K269-L272 PolarHBondContact O-N 2.92Å; S270-L272 VanDerWaalsContact C-N 3.31Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 3.24Å; L272-H275 CarbonylContact O-C 3.48Å; L272-H275 WeakPolarHBondContact O-CA 3.29Å; L272-H275 WeakPolarHBondContact O-CB 3.34Å; L272-H275 PolarHBondContact O-N 2.92Å; L272-I276 HydrophobicContact CD1-CD1 3.91Å; L272-I276 HydrophobicContact CD1-CG1 3.96Å; L272-I276 HydrophobicContact CD2-CD1 4.28Å; L272-I276 HydrophobicContact CG-CD1 3.79Å; L272-I276 HydrophobicContact CG-CG1 4.25Å; L272-I276 WeakPolarHBondContact O-CG1 3.36Å; L272-I276 PolarHBondContact O-N 3.29Å
273E90.1Very high87Confident105 Ų10564.6 Ų64.649%0.49132%0.318SS..Hα-helixtrans-55.9-46.7177.6-72.9162-172.700110.7K269 H275 I276 L277K269-E273 WeakPolarHBondContact CE-OE1 3.37Å; K269-E273 PolarHBondContact O-N 2.98Å; E273-H275 VanDerWaalsContact C-N 3.34Å; E273-H275 PolarHBondContact O-N 3.07Å; E273-I276 PolarHBondContact O-N 3.25Å; E273-L277 WeakPolarHBondContact O-CB 3.29Å; E273-L277 PolarHBondContact O-N 2.95Å
274R87.9Confident87.3Confident105 Ų10564.1 Ų64.140%0.39631%0.311SS..Hα-helixtrans-61.7-41.7172.8-176.1172.959-162.9-2.5111.8S270 L272 L277 F278 L297S270-R274 PolarHBondContact O-N 2.79Å; S270-R274 VanDerWaalsContact O-N 3.16Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 3.24Å; R274-L277 PolarHBondContact O-N 3Å; R274-F278 HydrophobicContact CG-CD2 3.97Å; R274-F278 HydrophobicContact CG-CE2 4Å; R274-F278 WeakPolarHBondContact O-CD2 3.33Å; R274-F278 PolarHBondContact O-N 3.13Å; R274-F278 VanDerWaalsContact O-N 3.09Å; R274-L297 HydrophobicContact CG-CD1 4.31Å
275H87.6Confident87.5Confident27 Ų2766.4 Ų66.413%0.12533%0.329CS..Hα-helixtrans-60.7-47.9176.9164.680.4000111.9C259 C262 A271 L272 E273 F278 R279 H280C259-H275 PolarHBondContact SG-CD2 3.19Å; C259-H275 PolarHBondContact SG-NE2 3.06Å; C262-H275 PolarHBondContact SG-NE2 3.47Å; A271-H275 VanDerWaalsContact O-CB 3.3Å; A271-H275 WeakPolarHBondContact O-CB 3.39Å; A271-H275 PolarHBondContact O-N 3.49Å; L272-H275 CarbonylContact O-C 3.48Å; L272-H275 WeakPolarHBondContact O-CA 3.29Å; L272-H275 WeakPolarHBondContact O-CB 3.34Å; L272-H275 PolarHBondContact O-N 2.92Å; E273-H275 VanDerWaalsContact C-N 3.34Å; E273-H275 PolarHBondContact O-N 3.07Å; H275-F278 PolarHBondContact O-N 3.27Å; H275-R279 WeakPolarHBondContact O-CB 3.34Å; H275-R279 PolarHBondContact O-N 2.99Å; H275-H280 AromaticContact NE2-CD2 3.67Å; H275-H280 AromaticContact NE2-NE2 3.34Å; H275-H280 PolarHBondContact NE2-NE2 2.81Å
276I90.7Very high87.9Confident44 Ų4467 Ų6723%0.22633%0.331CS..Hα-helixtrans-59.6-48.9177.5-67171.5000110P260 F261 L272 E273 F278 R279 H280 S281P260-I276 HydrophobicContact CG-CD1 4.48Å; F261-I276 HydrophobicContact CD2-CD1 4.41Å; F261-I276 HydrophobicContact CD2-CG1 4.21Å; F261-I276 HydrophobicContact CD2-CG2 4.37Å; F261-I276 HydrophobicContact CE2-CD1 4.16Å; F261-I276 HydrophobicContact CE2-CG1 4.33Å; F261-I276 HydrophobicContact CE2-CG2 4.05Å; L272-I276 HydrophobicContact CD1-CD1 3.91Å; L272-I276 HydrophobicContact CD1-CG1 3.96Å; L272-I276 HydrophobicContact CD2-CD1 4.28Å; L272-I276 HydrophobicContact CG-CD1 3.79Å; L272-I276 HydrophobicContact CG-CG1 4.25Å; L272-I276 WeakPolarHBondContact O-CG1 3.36Å; L272-I276 PolarHBondContact O-N 3.29Å; E273-I276 PolarHBondContact O-N 3.25Å; I276-F278 PolarHBondContact O-N 2.75Å; I276-F278 VanDerWaalsContact O-N 3.17Å; I276-R279 PolarHBondContact O-N 3.07Å; I276-H280 HydrophobicContact CG2-CB 4.2Å; I276-H280 CarbonylContact O-C 3.57Å; I276-H280 WeakPolarHBondContact O-CA 3.42Å; I276-H280 PolarHBondContact O-N 2.93Å; I276-S281 PolarHBondContact O-N 3.29Å
277L90.7Very high88.5Confident34 Ų3474.5 Ų74.518%0.17836%0.363CS..Hα-helixtrans-55.6-36.9177.8-17763.4000112.2E273 R274 E283 K296 L297E273-L277 WeakPolarHBondContact O-CB 3.29Å; E273-L277 PolarHBondContact O-N 2.95Å; R274-L277 PolarHBondContact O-N 3Å; L277-E283 HydrophobicContact CD1-CB 4.19Å; L277-K296 HydrophobicContact CD2-CB 4.18Å; L277-K296 WeakPolarHBondContact CD2-O 3.43Å; L277-K296 HydrophobicContact CG-CB 4.32Å; L277-K296 HydrophobicContact CG-CD 4.42Å; L277-K296 WeakPolarHBondContact O-CD 3.33Å; L277-K296 WeakPolarHBondContact O-CE 3.41Å; L277-K296 PolarHBondContact O-NZ 3.34Å; L277-L297 HydrophobicContact CD2-CD2 4.46Å
278F88.4Confident88.9Confident78 Ų7870.8 Ų70.834%0.34235%0.35SS..Hα-helixtrans-85.1-35.4-178.5-85.1-98.6000114.5R274 H275 I276 K296 L297R274-F278 HydrophobicContact CG-CD2 3.97Å; R274-F278 HydrophobicContact CG-CE2 4Å; R274-F278 WeakPolarHBondContact O-CD2 3.33Å; R274-F278 PolarHBondContact O-N 3.13Å; R274-F278 VanDerWaalsContact O-N 3.09Å; H275-F278 PolarHBondContact O-N 3.27Å; I276-F278 PolarHBondContact O-N 2.75Å; I276-F278 VanDerWaalsContact O-N 3.17Å; F278-K296 HydrophobicContact CD1-CD 3.99Å; F278-K296 HydrophobicContact CD2-CD 4.27Å; F278-K296 HydrophobicContact CE1-CB 4.24Å; F278-K296 HydrophobicContact CE1-CD 4.09Å; F278-K296 HydrophobicContact CE2-CB 3.88Å; F278-K296 HydrophobicContact CE2-CD 4.38Å; F278-K296 HydrophobicContact CG-CD 4.11Å; F278-K296 HydrophobicContact CZ-CB 3.72Å; F278-K296 HydrophobicContact CZ-CD 4.31Å; F278-K296 PolarHBondContact O-NZ 3.14Å; F278-L297 HydrophobicContact CE2-CD1 3.36Å; F278-L297 HydrophobicContact CE2-CD2 4.22Å; F278-L297 HydrophobicContact CE2-CG 3.53Å; F278-L297 HydrophobicContact CZ-CD1 3.42Å; F278-L297 VanDerWaalsContact CZ-CD1 3.42Å; F278-L297 HydrophobicContact CZ-CG 3.65Å
279R86.3Confident89.3Confident146 Ų14674 Ų7455%0.55137%0.37SS*.Hα-helixtrans-106.1-27.5-169.4-66.5-59.5-172.1134.5-4114.8H275 I276 V470H275-R279 WeakPolarHBondContact O-CB 3.34Å; H275-R279 PolarHBondContact O-N 2.99Å; I276-R279 PolarHBondContact O-N 3.07Å; R279-V470 VanDerWaalsContact NH2-CG1 3.31Å; R279-V470 VanDerWaalsContact NH2-CG2 3.28Å
280H90.2Very high89.5Confident74 Ų7473.8 Ų73.834%0.34337%0.367SS..THydrogen-bonded Turntrans-121.9-5.6-172-59.4-61.6000112.7C259 F261 C262 H275 I276C259-H280 PolarHBondContact SG-NE2 3.23Å; F261-H280 HydrophobicContact CB-CB 4.4Å; F261-H280 VanDerWaalsContact CB-CE1 3.44Å; F261-H280 WeakPolarHBondContact CB-CE1 3.37Å; F261-H280 WeakPolarHBondContact CB-ND1 3.33Å; F261-H280 HydrophobicContact CD2-CB 3.98Å; F261-H280 AromaticContact CD2-CD2 3.95Å; F261-H280 AromaticContact CD2-CG 3.89Å; F261-H280 HydrophobicContact CG-CB 4.35Å; C262-H280 PolarHBondContact SG-NE2 3.16Å; H275-H280 AromaticContact NE2-CD2 3.67Å; H275-H280 AromaticContact NE2-NE2 3.34Å; H275-H280 PolarHBondContact NE2-NE2 2.81Å; I276-H280 HydrophobicContact CG2-CB 4.2Å; I276-H280 CarbonylContact O-C 3.57Å; I276-H280 WeakPolarHBondContact O-CA 3.42Å; I276-H280 PolarHBondContact O-N 2.93Å
281S90.1Very high89.8Confident27 Ų2771.9 Ų71.919%0.18935%0.353CS..  trans-123.8143.9173.9-179.80000111.1I276 E283 K296I276-S281 PolarHBondContact O-N 3.29Å; S281-E283 VanDerWaalsContact OG-CB 3.25Å; S281-E283 WeakPolarHBondContact OG-CB 3.4Å; S281-E283 VanDerWaalsContact OG-CG 3.26Å; S281-E283 WeakPolarHBondContact OG-CG 3.47Å; S281-E283 PolarHBondContact OG-N 2.96Å; S281-K296 PolarHBondContact O-NZ 3.47Å
282S89.3Confident90.1Very high88 Ų8877.4 Ų77.462%0.61539%0.391SS*.  trans-91.5-3.2168.352.20000112.3
283E89.1Confident90.2Very high115 Ų11582.4 Ų82.454%0.53741%0.412SS..  trans-60.5137.7-176.5-70172.3-149.300112.1L277 S281 K296L277-E283 HydrophobicContact CD1-CB 4.19Å; S281-E283 VanDerWaalsContact OG-CB 3.25Å; S281-E283 WeakPolarHBondContact OG-CB 3.4Å; S281-E283 VanDerWaalsContact OG-CG 3.26Å; S281-E283 WeakPolarHBondContact OG-CG 3.47Å; S281-E283 PolarHBondContact OG-N 2.96Å; E283-K296 WeakPolarHBondContact O-CG 3.42Å
284K89.2Confident90.3Very high84 Ų8478.8 Ų78.837%0.36540%0.4SS..  trans-129.176.8176.5-70.6167.8-177.2169.30108I286 A294 F295 K296K284-I286 PolarHBondContact O-N 3.47Å; K284-I286 VanDerWaalsContact O-N 3.16Å; K284-A294 HydrophobicContact CB-CB 3.63Å; K284-A294 HydrophobicContact CD-CB 4.44Å; K284-F295 CarbonylContact C-O 3.54Å; K284-F295 VanDerWaalsContact C-O 3.29Å; K284-F295 WeakPolarHBondContact CA-O 3.34Å; K284-K296 HydrophobicContact CG-CG 4.14Å
285P88.2Confident90.4Very high84 Ų8475.4 Ų75.455%0.54539%0.388SS..  trans-63.7-22.3-170.622.5-33.8000113.9
286I91.9Very high90.5Very high39 Ų3975.9 Ų75.920%0.239%0.39CS..EExtended strand (participates in β ladder)trans-104.3102.5-169.9-61.6161.8000109.6K284 A294 F295 T298 L301K284-I286 PolarHBondContact O-N 3.47Å; K284-I286 VanDerWaalsContact O-N 3.16Å; I286-A294 CarbonylContact O-C 3.54Å; I286-A294 VanDerWaalsContact O-CA 3.3Å; I286-A294 WeakPolarHBondContact O-CA 3.3Å; I286-F295 HydrophobicContact CB-CB 4.5Å; I286-F295 WeakPolarHBondContact CB-O 3.49Å; I286-F295 PolarHBondContact N-O 2.77Å; I286-F295 PolarHBondContact O-N 3.28Å; I286-T298 HydrophobicContact CD1-CG2 3.58Å; I286-T298 VanDerWaalsContact CD1-N 3.27Å; I286-L301 HydrophobicContact CG2-CB 3.84Å; I286-L301 HydrophobicContact CG2-CD2 3.5Å; I286-L301 VanDerWaalsContact CG2-CD2 3.5Å; I286-L301 HydrophobicContact CG2-CG 4.23Å
287K92.9Very high90.4Very high163 Ų16375.5 Ų75.571%0.70939%0.388SS*.EExtended strand (participates in β ladder)trans-85.7144.6178.3-62.5-176.8179.8-179.30111.1A294K287-A294 HydrophobicContact CG-CB 4.02Å
288C91.5Very high90.2Very high8 Ų876.3 Ų76.35%0.05439%0.394CS..  trans-71.9132165.8-172.70000109Y290 C291 F293 F295 L301 H304C288-Y290 PolarHBondContact O-N 2.75Å; C288-Y290 PolarHBondContact SG-N 3.08Å; C288-Y290 VanDerWaalsContact SG-N 3.44Å; C288-C291 VanDerWaalsContact CB-SG 3.56Å; C288-F293 WeakPolarHBondContact CB-O 3.44Å; C288-F293 PolarHBondContact N-O 3.46Å; C288-F295 HydrophobicContact CB-CE2 4.25Å; C288-L301 HydrophobicContact CB-CD1 3.82Å; C288-H304 VanDerWaalsContact SG-CD2 3.54Å; C288-H304 PolarHBondContact SG-NE2 2.93Å
289P92Very high90.1Very high96 Ų9678 Ų7862%0.62340%0.399SS*.SBendtrans-73.1-18.117525.6-30.2000113
290Y91.7Very high90.2Very high125 Ų12571.8 Ų71.849%0.4938%0.378SS..SBendtrans-105.9-3.6-174.9-53.9-74.3000114.2C288 L305 H309 I311C288-Y290 PolarHBondContact O-N 2.75Å; C288-Y290 PolarHBondContact SG-N 3.08Å; C288-Y290 VanDerWaalsContact SG-N 3.44Å; Y290-L305 HydrophobicContact CD2-CD2 3.6Å; Y290-L305 HydrophobicContact CE2-CD2 3.93Å; Y290-H309 WeakPolarHBondContact CB-CE1 3.44Å; Y290-H309 WeakPolarHBondContact CB-ND1 3.49Å; Y290-H309 PolarHBondContact O-CE1 3.24Å; Y290-I311 HydrophobicContact CD1-CD1 4.44Å; Y290-I311 HydrophobicContact CD2-CD1 3.66Å; Y290-I311 HydrophobicContact CE1-CD1 4.02Å; Y290-I311 HydrophobicContact CE2-CD1 3.15Å; Y290-I311 HydrophobicContact CG-CD1 4.28Å
291C93.5Very high90.2Very high40 Ų4069.5 Ų69.527%0.2737%0.368SS..SBendtrans-158.3170.2173.168.10000111.6C288 F293 H304C288-C291 VanDerWaalsContact CB-SG 3.56Å; C291-F293 HydrophobicContact CB-CD2 4.37Å; C291-F293 PolarHBondContact O-N 3.07Å; C291-F293 VanDerWaalsContact O-N 3.08Å; C291-H304 PolarHBondContact SG-CE1 2.72Å; C291-H304 PolarHBondContact SG-NE2 3.04Å
292S91.5Very high90.1Very high121 Ų12169.7 Ų69.785%0.84637%0.368SS*.SBendtrans-70.5-0.7-178.355.20000115.1
293F92.5Very high89.9Confident128 Ų12871.2 Ų71.256%0.56136%0.361SS*.  trans-75.5137-178.5-75.3-88.4000112C288 C291 F295C288-F293 WeakPolarHBondContact CB-O 3.44Å; C288-F293 PolarHBondContact N-O 3.46Å; C291-F293 HydrophobicContact CB-CD2 4.37Å; C291-F293 PolarHBondContact O-N 3.07Å; C291-F293 VanDerWaalsContact O-N 3.08Å; F293-F295 HydrophobicContact CB-CE2 4.07Å; F293-F295 HydrophobicContact CB-CZ 3.8Å
294A92.1Very high90Very high28 Ų2866.6 Ų66.623%0.23134%0.339CS..EExtended strand (participates in β ladder)trans-122.4153.6173.400000111.2K284 I286 K287K284-A294 HydrophobicContact CB-CB 3.63Å; K284-A294 HydrophobicContact CD-CB 4.44Å; I286-A294 CarbonylContact O-C 3.54Å; I286-A294 VanDerWaalsContact O-CA 3.3Å; I286-A294 WeakPolarHBondContact O-CA 3.3Å; K287-A294 HydrophobicContact CG-CB 4.02Å
295F90.1Very high90Very high35 Ų3562.8 Ų62.815%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-133.1153.3-170.6-55.9-78.7000111.4K284 I286 C288 F293 C300 L301 H304K284-F295 CarbonylContact C-O 3.54Å; K284-F295 VanDerWaalsContact C-O 3.29Å; K284-F295 WeakPolarHBondContact CA-O 3.34Å; I286-F295 HydrophobicContact CB-CB 4.5Å; I286-F295 WeakPolarHBondContact CB-O 3.49Å; I286-F295 PolarHBondContact N-O 2.77Å; I286-F295 PolarHBondContact O-N 3.28Å; C288-F295 HydrophobicContact CB-CE2 4.25Å; F293-F295 HydrophobicContact CB-CE2 4.07Å; F293-F295 HydrophobicContact CB-CZ 3.8Å; F295-C300 HydrophobicContact CB-CB 3.89Å; F295-C300 HydrophobicContact CD1-CB 3.74Å; F295-C300 HydrophobicContact CG-CB 4.01Å; F295-L301 HydrophobicContact CD2-CB 3.81Å; F295-L301 HydrophobicContact CD2-CD1 3.87Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CB 4.39Å; F295-L301 HydrophobicContact CE2-CD1 3.78Å; F295-L301 HydrophobicContact CG-CB 4.39Å; F295-H304 HydrophobicContact CE1-CB 4Å; F295-H304 HydrophobicContact CE2-CB 3.9Å; F295-H304 AromaticContact CE2-CD2 3.81Å; F295-H304 AromaticContact CE2-CG 3.75Å; F295-H304 HydrophobicContact CZ-CB 3.4Å; F295-H304 VanDerWaalsContact CZ-CB 3.4Å; F295-H304 AromaticContact CZ-CD2 3.81Å; F295-H304 AromaticContact CZ-CG 3.29Å; F295-H304 AromaticContact CZ-ND1 3.55Å
296K88.1Confident90.2Very high37 Ų3760.8 Ų60.816%0.16131%0.311CS..SBendtrans-77.9-30.9175.8-59.9-164.8169.6-168.90113.1L277 F278 S281 E283 K284L277-K296 HydrophobicContact CD2-CB 4.18Å; L277-K296 WeakPolarHBondContact CD2-O 3.43Å; L277-K296 HydrophobicContact CG-CB 4.32Å; L277-K296 HydrophobicContact CG-CD 4.42Å; L277-K296 WeakPolarHBondContact O-CD 3.33Å; L277-K296 WeakPolarHBondContact O-CE 3.41Å; L277-K296 PolarHBondContact O-NZ 3.34Å; F278-K296 HydrophobicContact CD1-CD 3.99Å; F278-K296 HydrophobicContact CD2-CD 4.27Å; F278-K296 HydrophobicContact CE1-CB 4.24Å; F278-K296 HydrophobicContact CE1-CD 4.09Å; F278-K296 HydrophobicContact CE2-CB 3.88Å; F278-K296 HydrophobicContact CE2-CD 4.38Å; F278-K296 HydrophobicContact CG-CD 4.11Å; F278-K296 HydrophobicContact CZ-CB 3.72Å; F278-K296 HydrophobicContact CZ-CD 4.31Å; F278-K296 PolarHBondContact O-NZ 3.14Å; S281-K296 PolarHBondContact O-NZ 3.47Å; E283-K296 WeakPolarHBondContact O-CG 3.42Å; K284-K296 HydrophobicContact CG-CG 4.14Å
297L88.4Confident90.1Very high36 Ų3662 Ų6219%0.18832%0.322CS..SBendtrans-135.8152.9-175.2-65.4178000111.5R274 L277 F278 Y299 C300 L301R274-L297 HydrophobicContact CG-CD1 4.31Å; L277-L297 HydrophobicContact CD2-CD2 4.46Å; F278-L297 HydrophobicContact CE2-CD1 3.36Å; F278-L297 HydrophobicContact CE2-CD2 4.22Å; F278-L297 HydrophobicContact CE2-CG 3.53Å; F278-L297 HydrophobicContact CZ-CD1 3.42Å; F278-L297 VanDerWaalsContact CZ-CD1 3.42Å; F278-L297 HydrophobicContact CZ-CG 3.65Å; L297-Y299 HydrophobicContact CB-CD1 3.85Å; L297-Y299 HydrophobicContact CB-CE1 3.75Å; L297-Y299 HydrophobicContact CD1-CD1 4.09Å; L297-Y299 HydrophobicContact CD1-CE1 3.28Å; L297-Y299 HydrophobicContact CG-CE1 4.15Å; L297-Y299 PolarHBondContact O-N 3.28Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 2.84Å; L297-C300 VanDerWaalsContact O-N 3.15Å; L297-L301 PolarHBondContact O-N 3.19Å
298T88.4Confident89.9Confident50 Ų5061.6 Ų61.631%0.30732%0.321SS..Hα-helixtrans-62.2-42.5-176.549.40000112.2I286 C300 L301 T302I286-T298 HydrophobicContact CD1-CG2 3.58Å; I286-T298 VanDerWaalsContact CD1-N 3.27Å; T298-C300 PolarHBondContact O-N 3.41Å; T298-C300 VanDerWaalsContact O-N 3.16Å; T298-L301 WeakPolarHBondContact O-CA 3.26Å; T298-L301 WeakPolarHBondContact O-CB 3.38Å; T298-L301 PolarHBondContact O-N 2.94Å; T298-T302 PolarHBondContact O-N 3.26Å; T298-T302 PolarHBondContact O-OG1 3.02Å; T298-T302 VanDerWaalsContact O-OG1 3.07Å
299Y85.2Confident89.9Confident113 Ų11364.3 Ų64.344%0.44333%0.333SS..Hα-helixtrans-61.9-27.4178.177.9-102.8000113.3L297 R303L297-Y299 HydrophobicContact CB-CD1 3.85Å; L297-Y299 HydrophobicContact CB-CE1 3.75Å; L297-Y299 HydrophobicContact CD1-CD1 4.09Å; L297-Y299 HydrophobicContact CD1-CE1 3.28Å; L297-Y299 HydrophobicContact CG-CE1 4.15Å; L297-Y299 PolarHBondContact O-N 3.28Å; Y299-R303 WeakPolarHBondContact O-CB 3.08Å; Y299-R303 PolarHBondContact O-N 2.92Å
300C88.2Confident89.6Confident16 Ų1662.7 Ų62.711%0.10833%0.333CS..Hα-helixtrans-68.6-41.8174.8-69.30000110.5F295 L297 T298 H304F295-C300 HydrophobicContact CB-CB 3.89Å; F295-C300 HydrophobicContact CD1-CB 3.74Å; F295-C300 HydrophobicContact CG-CB 4.01Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 2.84Å; L297-C300 VanDerWaalsContact O-N 3.15Å; T298-C300 PolarHBondContact O-N 3.41Å; T298-C300 VanDerWaalsContact O-N 3.16Å; C300-H304 WeakPolarHBondContact O-CB 3.49Å; C300-H304 PolarHBondContact O-N 3.27Å
301L90.4Very high89.1Confident26 Ų2659 Ų5914%0.13632%0.321CS..Hα-helixtrans-62.4-49.2172.6174.764000110.5I286 C288 F295 L297 T298 R303 H304 L305I286-L301 HydrophobicContact CG2-CB 3.84Å; I286-L301 HydrophobicContact CG2-CD2 3.5Å; I286-L301 VanDerWaalsContact CG2-CD2 3.5Å; I286-L301 HydrophobicContact CG2-CG 4.23Å; C288-L301 HydrophobicContact CB-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CB 3.81Å; F295-L301 HydrophobicContact CD2-CD1 3.87Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CB 4.39Å; F295-L301 HydrophobicContact CE2-CD1 3.78Å; F295-L301 HydrophobicContact CG-CB 4.39Å; L297-L301 PolarHBondContact O-N 3.19Å; T298-L301 WeakPolarHBondContact O-CA 3.26Å; T298-L301 WeakPolarHBondContact O-CB 3.38Å; T298-L301 PolarHBondContact O-N 2.94Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.21Å; L301-H304 CarbonylContact O-C 3.57Å; L301-H304 WeakPolarHBondContact O-CA 3.42Å; L301-H304 VanDerWaalsContact O-CB 3.29Å; L301-H304 WeakPolarHBondContact O-CB 3.38Å; L301-H304 PolarHBondContact O-N 3.41Å; L301-L305 HydrophobicContact CD1-CD1 4.19Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å; L301-L305 HydrophobicContact CD1-CG 3.86Å; L301-L305 HydrophobicContact CD2-CD1 4.39Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.06Å; L301-L305 WeakPolarHBondContact O-CG 3.37Å; L301-L305 PolarHBondContact O-N 2.86Å
302T87.9Confident88.1Confident31 Ų3167.6 Ų67.619%0.1935%0.348CS..Hα-helixtrans-57.9-43.3-179.7-47.20000112.3T298 H304 L305 S306 N315T298-T302 PolarHBondContact O-N 3.26Å; T298-T302 PolarHBondContact O-OG1 3.02Å; T298-T302 VanDerWaalsContact O-OG1 3.07Å; T302-H304 VanDerWaalsContact C-N 3.3Å; T302-H304 PolarHBondContact O-N 3.5Å; T302-L305 PolarHBondContact O-N 3.14Å; T302-S306 WeakPolarHBondContact O-CB 3.42Å; T302-S306 PolarHBondContact O-N 3.42Å; T302-N315 PolarHBondContact OG1-ND2 3.39Å; T302-N315 PolarHBondContact OG1-OD1 3.33Å
303R85.7Confident86.4Confident121 Ų12166.8 Ų66.846%0.45733%0.331SS..Hα-helixtrans-64.3-37.8174.2-175.5-178.864.2-175.20.1111.8Y299 L301 S307Y299-R303 WeakPolarHBondContact O-CB 3.08Å; Y299-R303 PolarHBondContact O-N 2.92Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.21Å; R303-S307 VanDerWaalsContact O-CB 3.29Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 2.73Å; R303-S307 VanDerWaalsContact O-N 3.07Å; R303-S307 PolarHBondContact O-OG 3.34Å
304H89.8Confident84.2Confident18 Ų1867.2 Ų67.28%0.08334%0.338CS..Hα-helixtrans-65.2-51.6175.7167.486.6000111.3C288 C291 F295 C300 L301 T302 S306 S307 K308 H309C288-H304 VanDerWaalsContact SG-CD2 3.54Å; C288-H304 PolarHBondContact SG-NE2 2.93Å; C291-H304 PolarHBondContact SG-CE1 2.72Å; C291-H304 PolarHBondContact SG-NE2 3.04Å; F295-H304 HydrophobicContact CE1-CB 4Å; F295-H304 HydrophobicContact CE2-CB 3.9Å; F295-H304 AromaticContact CE2-CD2 3.81Å; F295-H304 AromaticContact CE2-CG 3.75Å; F295-H304 HydrophobicContact CZ-CB 3.4Å; F295-H304 VanDerWaalsContact CZ-CB 3.4Å; F295-H304 AromaticContact CZ-CD2 3.81Å; F295-H304 AromaticContact CZ-CG 3.29Å; F295-H304 AromaticContact CZ-ND1 3.55Å; C300-H304 WeakPolarHBondContact O-CB 3.49Å; C300-H304 PolarHBondContact O-N 3.27Å; L301-H304 CarbonylContact O-C 3.57Å; L301-H304 WeakPolarHBondContact O-CA 3.42Å; L301-H304 VanDerWaalsContact O-CB 3.29Å; L301-H304 WeakPolarHBondContact O-CB 3.38Å; L301-H304 PolarHBondContact O-N 3.41Å; T302-H304 VanDerWaalsContact C-N 3.3Å; T302-H304 PolarHBondContact O-N 3.5Å; H304-S306 VanDerWaalsContact C-N 3.32Å; H304-S306 PolarHBondContact O-N 3.29Å; H304-S307 PolarHBondContact O-N 3.4Å; H304-S307 PolarHBondContact O-OG 2.89Å; H304-K308 WeakPolarHBondContact O-CB 3.46Å; H304-K308 PolarHBondContact O-N 2.87Å; H304-H309 AromaticContact CD2-CD2 3.89Å; H304-H309 AromaticContact CE1-NE2 3.88Å; H304-H309 AromaticContact NE2-CD2 3.47Å; H304-H309 PolarHBondContact NE2-CD2 3.35Å; H304-H309 AromaticContact NE2-NE2 3.14Å; H304-H309 PolarHBondContact NE2-NE2 3.17Å; H304-H309 VanDerWaalsContact NE2-NE2 3.14Å
305L91Very high81.9Confident4 Ų468 Ų682%0.02134%0.339CS..Iπ-helixtrans-51.9-50.2174.8-68.4177.4000111.1Y290 L301 T302 S307 H309 G310 I311 E313Y290-L305 HydrophobicContact CD2-CD2 3.6Å; Y290-L305 HydrophobicContact CE2-CD2 3.93Å; L301-L305 HydrophobicContact CD1-CD1 4.19Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å; L301-L305 HydrophobicContact CD1-CG 3.86Å; L301-L305 HydrophobicContact CD2-CD1 4.39Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.06Å; L301-L305 WeakPolarHBondContact O-CG 3.37Å; L301-L305 PolarHBondContact O-N 2.86Å; T302-L305 PolarHBondContact O-N 3.14Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 3.21Å; L305-H309 CarbonylContact O-C 3.59Å; L305-H309 WeakPolarHBondContact O-CA 3.43Å; L305-H309 WeakPolarHBondContact O-CB 3.49Å; L305-H309 PolarHBondContact O-N 2.78Å; L305-G310 PolarHBondContact O-N 3Å; L305-I311 CarbonylContact C-O 3.51Å; L305-I311 VanDerWaalsContact C-O 3.31Å; L305-I311 HydrophobicContact CB-CB 4.3Å; L305-I311 PolarHBondContact O-N 3.21Å; L305-E313 HydrophobicContact CD1-CG 4.32Å
306S91.5Very high79.5Confident42 Ų4271.7 Ų71.729%0.29436%0.356SS..Iπ-helixtrans-67.7-23.5179.7177.20000114.4T302 H304 I311T302-S306 WeakPolarHBondContact O-CB 3.42Å; T302-S306 PolarHBondContact O-N 3.42Å; H304-S306 VanDerWaalsContact C-N 3.32Å; H304-S306 PolarHBondContact O-N 3.29Å; S306-I311 VanDerWaalsContact CA-O 3.3Å; S306-I311 WeakPolarHBondContact CA-O 3.16Å; S306-I311 PolarHBondContact N-O 2.95Å; S306-I311 VanDerWaalsContact N-O 3.14Å
307S90.3Very high77.2Confident63 Ų6374.2 Ų74.244%0.44137%0.371SS..Iπ-helixtrans-101.9-26.1-177.760.20000114.7R303 H304 L305R303-S307 VanDerWaalsContact O-CB 3.29Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 2.73Å; R303-S307 VanDerWaalsContact O-N 3.07Å; R303-S307 PolarHBondContact O-OG 3.34Å; H304-S307 PolarHBondContact O-N 3.4Å; H304-S307 PolarHBondContact O-OG 2.89Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 3.21Å
308K89.1Confident74.7Confident156 Ų15678.7 Ų78.768%0.67840%0.396SS*.Iπ-helixtrans-109.6-32.6-176-64.1-59.2-172.6172.90113H304H304-K308 WeakPolarHBondContact O-CB 3.46Å; H304-K308 PolarHBondContact O-N 2.87Å
309H90.4Very high72.3Confident65 Ų6581.8 Ų81.830%0.30140%0.402SS..Iπ-helixtrans-113.6-8.4-177.2-58.8-68.2000112.8Y290 H304 L305 I311Y290-H309 WeakPolarHBondContact CB-CE1 3.44Å; Y290-H309 WeakPolarHBondContact CB-ND1 3.49Å; Y290-H309 PolarHBondContact O-CE1 3.24Å; H304-H309 AromaticContact CD2-CD2 3.89Å; H304-H309 AromaticContact CE1-NE2 3.88Å; H304-H309 AromaticContact NE2-CD2 3.47Å; H304-H309 PolarHBondContact NE2-CD2 3.35Å; H304-H309 AromaticContact NE2-NE2 3.14Å; H304-H309 PolarHBondContact NE2-NE2 3.17Å; H304-H309 VanDerWaalsContact NE2-NE2 3.14Å; L305-H309 CarbonylContact O-C 3.59Å; L305-H309 WeakPolarHBondContact O-CA 3.43Å; L305-H309 WeakPolarHBondContact O-CB 3.49Å; L305-H309 PolarHBondContact O-N 2.78Å; H309-I311 HydrophobicContact CB-CD1 3.88Å; H309-I311 HydrophobicContact CB-CG1 4.06Å; H309-I311 PolarHBondContact O-N 3.47Å
310G86.3Confident69.9Low61 Ų6184.8 Ų84.863%0.62942%0.417SS*.  trans71.22.6-175.600000114.1L305L305-G310 PolarHBondContact O-N 3Å
311I80.6Confident67.2Low47 Ų4787.6 Ų87.624%0.24144%0.437CS..  trans-83.5126.9-174.8-61.6168.6000109.7Y290 L305 S306 H309 E313Y290-I311 HydrophobicContact CD1-CD1 4.44Å; Y290-I311 HydrophobicContact CD2-CD1 3.66Å; Y290-I311 HydrophobicContact CE1-CD1 4.02Å; Y290-I311 HydrophobicContact CE2-CD1 3.15Å; Y290-I311 HydrophobicContact CG-CD1 4.28Å; L305-I311 CarbonylContact C-O 3.51Å; L305-I311 VanDerWaalsContact C-O 3.31Å; L305-I311 HydrophobicContact CB-CB 4.3Å; L305-I311 PolarHBondContact O-N 3.21Å; S306-I311 VanDerWaalsContact CA-O 3.3Å; S306-I311 WeakPolarHBondContact CA-O 3.16Å; S306-I311 PolarHBondContact N-O 2.95Å; S306-I311 VanDerWaalsContact N-O 3.14Å; H309-I311 HydrophobicContact CB-CD1 3.88Å; H309-I311 HydrophobicContact CB-CG1 4.06Å; H309-I311 PolarHBondContact O-N 3.47Å; I311-E313 HydrophobicContact CG2-CG 3.76Å
312R73.6Confident64.1Low221 Ų22193.3 Ų93.383%0.83447%0.473SS*.  trans-105.289.2166.8-72.8-178.5171.1-179.6-0.6107.9L314R312-L314 PolarHBondContact O-N 3.28Å
313E54.4Low61.3Low104 Ų10494.4 Ų94.449%0.48648%0.478SS..  trans-71.4130164.9-68.3-148.9167.100109.5L305 I311 N315L305-E313 HydrophobicContact CD1-CG 4.32Å; I311-E313 HydrophobicContact CG2-CG 3.76Å; E313-N315 PolarHBondContact O-N 2.82Å
314L47.9Very low58.5Low138 Ų13894.5 Ų94.572%0.72349%0.494SS*.  trans-6796.2165.7-70.3161.2000106.9R312 E316R312-L314 PolarHBondContact O-N 3.28Å; L314-E316 PolarHBondContact O-N 2.97Å
315N41.8Very low55.6Low44 Ų4498.9 Ų98.924%0.23552%0.522CS..  trans-64.2120-176.5-93.4-22.3000111.9T302 E313 N317 D318T302-N315 PolarHBondContact OG1-ND2 3.39Å; T302-N315 PolarHBondContact OG1-OD1 3.33Å; E313-N315 PolarHBondContact O-N 2.82Å; N315-N317 PolarHBondContact O-N 3.45Å; N315-D318 PolarHBondContact O-N 3.41Å
316E40.5Very low52.4Low112 Ų112103.8 Ų103.852%0.52355%0.547SS..G310 helixtrans-51-18.3160.1-84.5-71.8141.100114.1L314 R319L314-E316 PolarHBondContact O-N 2.97Å; E316-R319 WeakPolarHBondContact O-CD 3.49Å; E316-R319 VanDerWaalsContact O-CG 3.3Å; E316-R319 WeakPolarHBondContact O-CG 3.29Å; E316-R319 PolarHBondContact O-NE 3.18Å; E316-R319 IonicContact OE1-CZ 3.32Å; E316-R319 IonicContact OE1-NH2 2.8Å; E316-R319 PolarHBondContact OE1-NH2 3.26Å; E316-R319 IonicContact OE2-CZ 2.97Å; E316-R319 IonicContact OE2-NE 2.7Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.92Å; E316-R319 PolarHBondContact OE2-NH2 3.44Å
317N39.9Very low49.1Very low90 Ų90105.9 Ų105.948%0.48156%0.555SS.*G310 helixtrans-96.6-1.9-175.1-79.7-50.9000116.1N315 R319 K320N315-N317 PolarHBondContact O-N 3.45Å; N317-R319 PolarHBondContact O-N 2.63Å; N317-R319 VanDerWaalsContact O-N 3.16Å; N317-K320 PolarHBondContact O-N 2.96Å
318D35.9Very low46Very low131 Ų131108.6 Ų108.670%0.70157%0.565SS**G310 helixtrans-67.8-5.6165.3-90.1-41.8000112.3N315 K320N315-D318 PolarHBondContact O-N 3.41Å; D318-K320 PolarHBondContact O-N 2.96Å
319R38.1Very low42.7Very low115 Ų115106.5 Ų106.543%0.43457%0.565SS.*G310 helixtrans-62.2-17.4168.9-62.8-177.4-153.7-120.34.9114.3E316 N317E316-R319 WeakPolarHBondContact O-CD 3.49Å; E316-R319 VanDerWaalsContact O-CG 3.3Å; E316-R319 WeakPolarHBondContact O-CG 3.29Å; E316-R319 PolarHBondContact O-NE 3.18Å; E316-R319 IonicContact OE1-CZ 3.32Å; E316-R319 IonicContact OE1-NH2 2.8Å; E316-R319 PolarHBondContact OE1-NH2 3.26Å; E316-R319 IonicContact OE2-CZ 2.97Å; E316-R319 IonicContact OE2-NE 2.7Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.92Å; E316-R319 PolarHBondContact OE2-NH2 3.44Å; N317-R319 PolarHBondContact O-N 2.63Å; N317-R319 VanDerWaalsContact O-N 3.16Å
320K35Very low39.7Very low176 Ų176111.5 Ų111.577%0.76559%0.592SS**SBendtrans-135.56.9-170.5-79.5-175.8-178.1171.70119.2N317 D318N317-K320 PolarHBondContact O-N 2.96Å; D318-K320 PolarHBondContact O-N 2.96Å
321S31.1Very low36.5Very low75 Ų75116.4 Ų116.452%0.52460%0.599SS.*  trans-138.783.7-177.2-173.20000115.7D323S321-D323 PolarHBondContact O-N 3.48Å
322T25.4Very low33.9Very low146 Ų146118 Ų11890%0.89661%0.614SS**  trans-89.581.9158.139.20000110.2
323D30.2Very low31.5Very low53 Ų53113.4 Ų113.428%0.28361%0.606SS.*  trans-153.9106.3165.7-136.91.1000112.8R252 S321 V325R252-D323 IonicContact CZ-OD1 2.68Å; R252-D323 VanDerWaalsContact CZ-OD1 3.32Å; R252-D323 IonicContact CZ-OD2 3.86Å; R252-D323 IonicContact NH1-OD1 2.95Å; R252-D323 PolarHBondContact NH1-OD1 3.31Å; R252-D323 IonicContact NH1-OD2 2.78Å; R252-D323 PolarHBondContact NH1-OD2 3.03Å; R252-D323 IonicContact NH2-OD1 2.66Å; R252-D323 PolarHBondContact NH2-OD1 3.46Å; R252-D323 IonicContact NH2-OD2 2.72Å; R252-D323 PolarHBondContact NH2-OD2 2.95Å; S321-D323 PolarHBondContact O-N 3.48Å; D323-V325 PolarHBondContact O-N 2.93Å
324P25.1Very low30Very low124 Ų124115.7 Ų115.781%0.80562%0.621SS**  trans-86.698.617630.8-27.2000110
325V29Very low28.9Very low109 Ų109115.4 Ų115.466%0.66162%0.624SS**  trans-134.2101163.3-176.30000110.8D323D323-V325 PolarHBondContact O-N 2.93Å
326L25.2Very low28Very low107 Ų107117.4 Ų117.456%0.5665%0.647SS**  trans38.4108.7143.8-141.7139.2000119.5
327L21Very low27.1Very low86 Ų86120.5 Ų120.545%0.4566%0.661SS.*  trans-72.1113.8168.3-177.380.9000111
328D25.3Very low26.2Very low121 Ų121125.4 Ų125.465%0.64768%0.678SS**  trans-115.1120.7159.5-78.2-37.8000108.8R471D328-R471 IonicContact OD2-NH1 2.73Å
329T21.1Very low25.6Very low112 Ų112129.8 Ų129.869%0.68769%0.685SS**  trans-75.5123.7-177.3-56.80000110.6
330I25.7Very low25.1Very low170 Ų170129.9 Ų129.987%0.87270%0.701SS**  trans-139.6133.3148.8-61.7-174.2000108.5
331Q20.1Very low24.7Very low163 Ų163130.3 Ų130.376%0.76271%0.705SS**  trans-90.2170.4-175.9-172.7173-34.900110.3
332S25Very low24.4Very low80 Ų80131.6 Ų131.656%0.55971%0.714SS**  trans102.2119.9157.6-44.30000118.4
333D23.8Very low24.4Very low125 Ų125130.6 Ų130.667%0.66871%0.708SS**  trans85.2104.3134-49.8-17.7000123.1
334L22.4Very low24.1Very low153 Ų153133.2 Ų133.280%0.80173%0.73SS**  48.4142.5124.6-63.5171.3000124.4
335V25.9Very low24.2Very low131 Ų131133.8 Ų133.879%0.79473%0.725SS**  trans78.8121.4167.8-160.60000117.9
336A22Very low24Very low86 Ų86131 Ų13171%0.71171%0.713SS**  trans-102.7141.9-17500000110
337E21.9Very low24.1Very low177 Ų177130.5 Ų130.583%0.82772%0.716SS**  trans-139.7138.7156.8-91.6-63.415300108.3
338K20.3Very low24.8Very low193 Ų193131.4 Ų131.484%0.83972%0.721SS**  trans-80.2136.3-168.1-74.6167.7172.6173.10110.8
339R24.6Very low25.5Very low224 Ų224132.2 Ų132.285%0.84572%0.72SS**  trans-160.6143.8140-110.2168.4-171.9-161.82.2112.1
340P27.2Very low26.8Very low116 Ų116127.2 Ų127.275%0.75369%0.691SS**  trans-93.6118.5-169.733.8-27.3000111
341H27.4Very low28.1Very low186 Ų186121.6 Ų121.686%0.86167%0.665SS**  trans-105.592.4161.9-76.3-59.2000110.1
342S23Very low29.8Very low101 Ų101113.9 Ų113.971%0.70663%0.629SS**  trans-63122.9161.41760000109.6
343T26.5Very low31.1Very low126 Ų126111 Ų11177%0.77361%0.611SS**  trans-120.4881495.90000105.7I345T343-I345 PolarHBondContact O-N 2.87Å
344S23.4Very low32.3Very low107 Ų107109.9 Ų109.975%0.74860%0.601SS**  trans-62.896.1172.1-178.60000108.8
345I26.9Very low33.5Very low137 Ų137103.4 Ų103.470%0.70357%0.57SS**  trans-95.1112.4153.6-63.5171.3000103.5T343T343-I345 PolarHBondContact O-N 2.87Å
346A26.3Very low34.1Very low49 Ų4998.8 Ų98.841%0.40555%0.549SS..  trans-45.7127177.300000109.7I348A346-I348 PolarHBondContact O-N 3.23Å
347P26.6Very low34.9Very low97 Ų9797.8 Ų97.863%0.6354%0.54SS*.  trans-65.3126-179.424.4-30.1000109.2H349P347-H349 PolarHBondContact O-N 2.96Å
348I35Very low35.2Very low105 Ų10594.2 Ų94.254%0.53853%0.526SS..  trans-74.470-179.2-50.4173000108.4T180 Q183 A346 G350T180-I348 WeakPolarHBondContact O-CG2 3.36Å; Q183-I348 PolarHBondContact NE2-O 2.87Å; A346-I348 PolarHBondContact O-N 3.23Å; I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.18Å
349H39.7Very low35.5Very low139 Ų13987.8 Ų87.864%0.64450%0.504SS*.  trans-86.973.5166.3-65.2-72.1000108.1P347P347-H349 PolarHBondContact O-N 2.96Å
350G50.1Low35.7Very low6 Ų685.2 Ų85.26%0.06250%0.501CS..  trans-74.6150.8157.500000108.5H181 I348 L352 A353H181-G350 WeakPolarHBondContact O-CA 3.46Å; I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.18Å; G350-L352 PolarHBondContact O-N 3.16Å; G350-A353 WeakPolarHBondContact O-CB 3.15Å; G350-A353 PolarHBondContact O-N 2.72Å
351P51.4Low35.5Very low52 Ų5284.1 Ų84.134%0.33849%0.492SS..THydrogen-bonded Turntrans-60.5-16-176.323.9-33.9000113.6F118 F135F118-P351 HydrophobicContact CD1-CB 3.6Å; F118-P351 HydrophobicContact CD1-CG 3.74Å; F118-P351 HydrophobicContact CE1-CB 3.83Å; F118-P351 HydrophobicContact CE1-CG 4.22Å; F135-P351 HydrophobicContact CE1-CG 3.81Å; F135-P351 HydrophobicContact CZ-CG 4.39Å
352L57.1Low35.3Very low1 Ų182.2 Ų82.21%0.00548%0.484CS..THydrogen-bonded Turntrans-100.112.3179.3-53.3177000114.4F78 W81 F118 V132 I136 T182 Q183 G350 Q354 A355F78-L352 HydrophobicContact CD2-CD2 4.38Å; F78-L352 HydrophobicContact CE2-CD2 3.49Å; F78-L352 VanDerWaalsContact CE2-CD2 3.49Å; F78-L352 HydrophobicContact CZ-CD2 4.29Å; W81-L352 HydrophobicContact CH2-CD1 3.91Å; W81-L352 HydrophobicContact CZ3-CD1 4.38Å; F118-L352 HydrophobicContact CE1-CD2 4.05Å; F118-L352 HydrophobicContact CZ-CD2 4.41Å; V132-L352 HydrophobicContact CG2-CD1 3.79Å; V132-L352 HydrophobicContact CG2-CD2 3.94Å; V132-L352 HydrophobicContact CG2-CG 4.38Å; I136-L352 HydrophobicContact CD1-CD1 4.46Å; T182-L352 WeakPolarHBondContact O-CD1 3.34Å; Q183-L352 HydrophobicContact CB-CB 4.15Å; Q183-L352 PolarHBondContact OE1-O 3.31Å; G350-L352 PolarHBondContact O-N 3.16Å; L352-Q354 PolarHBondContact O-N 2.78Å; L352-Q354 VanDerWaalsContact O-N 3.16Å; L352-A355 HydrophobicContact CB-CB 4.42Å; L352-A355 WeakPolarHBondContact O-CB 3.45Å; L352-A355 PolarHBondContact O-N 3.27Å
353A52.6Low35.3Very low21 Ų2181.1 Ų81.117%0.17448%0.481CS..THydrogen-bonded Turntrans-55.2-34.9-176.100000114G350G350-A353 WeakPolarHBondContact O-CB 3.15Å; G350-A353 PolarHBondContact O-N 2.72Å
354Q48.1Very low35.1Very low101 Ų10182.1 Ų82.147%0.47248%0.481SS..THydrogen-bonded Turntrans-77.8-28177.5-94.279.9-14.300113P112 L352 G356 A357P112-Q354 HydrophobicContact CB-CB 3.64Å; P112-Q354 HydrophobicContact CG-CB 3.81Å; L352-Q354 PolarHBondContact O-N 2.78Å; L352-Q354 VanDerWaalsContact O-N 3.16Å; Q354-G356 VanDerWaalsContact C-N 3.26Å; Q354-G356 PolarHBondContact O-N 3.45Å; Q354-A357 PolarHBondContact O-N 3.24Å
355A48.2Very low35.2Very low17 Ų1783.9 Ų83.914%0.1448%0.481CS..THydrogen-bonded Turntrans-68.2-21.1-170.100000114.6F78 P112 L195 L352F78-A355 HydrophobicContact CZ-CB 3.86Å; P112-A355 HydrophobicContact CG-CB 3.57Å; P112-A355 VanDerWaalsContact CG-N 3.28Å; L195-A355 HydrophobicContact CD1-CB 3.72Å; L352-A355 HydrophobicContact CB-CB 4.42Å; L352-A355 WeakPolarHBondContact O-CB 3.45Å; L352-A355 PolarHBondContact O-N 3.27Å
356G38.8Very low35Very low34 Ų3485.2 Ų85.235%0.35149%0.489SS..THydrogen-bonded Turntrans-86.4-7.6-179.200000114.9Q354Q354-G356 VanDerWaalsContact C-N 3.26Å; Q354-G356 PolarHBondContact O-N 3.45Å
357A37.2Very low34.8Very low64 Ų6488.6 Ų88.653%0.52951%0.505SS..SBendtrans-100.7129.9178.200000109.2Q354 P359Q354-A357 PolarHBondContact O-N 3.24Å; A357-P359 VanDerWaalsContact O-CD 3.29Å; A357-P359 WeakPolarHBondContact O-CD 3.3Å
358L28.5Very low34.7Very low103 Ų10389.9 Ų89.954%0.53951%0.513SS..PPolyproline II helixtrans-54.6123.5168-70.5166.3000107.9S107 H360S107-L358 WeakPolarHBondContact OG-CD2 3.47Å; L358-H360 PolarHBondContact O-N 3.43Å
359P26.8Very low34.1Very low58 Ų5890.6 Ų90.638%0.37752%0.522SS..PPolyproline II helixtrans-65.4133.8173.9-21.935.6000109.1L110 A357 V361L110-P359 HydrophobicContact CB-CB 4.49Å; L110-P359 HydrophobicContact CB-CG 3.67Å; L110-P359 HydrophobicContact CD1-CB 3.65Å; L110-P359 HydrophobicContact CD1-CG 3.65Å; L110-P359 HydrophobicContact CG-CG 4.31Å; A357-P359 VanDerWaalsContact O-CD 3.29Å; A357-P359 WeakPolarHBondContact O-CD 3.3Å; P359-V361 PolarHBondContact O-N 3.06Å
360H28Very low33.3Very low169 Ų16990.6 Ų90.678%0.78253%0.527SS*.PPolyproline II helixtrans-72.8122168.4-149.3-63.6000106.8L358 Q362L358-H360 PolarHBondContact O-N 3.43Å; H360-Q362 PolarHBondContact O-N 3.05Å
361V24Very low32.2Very low93 Ų9397.5 Ų97.556%0.56456%0.562SS**  trans-55.3106.8174.3179.30000108P359 A363P359-V361 PolarHBondContact O-N 3.06Å; V361-A363 PolarHBondContact O-N 3.37Å
362Q22.6Very low31Very low147 Ų147102 Ų10269%0.68758%0.583SS**  trans-79.198.3160.3-159107.1-14.500103.9H360 D364H360-Q362 PolarHBondContact O-N 3.05Å; Q362-D364 PolarHBondContact O-N 3.45Å; Q362-D364 VanDerWaalsContact O-N 3.12Å
363A24.1Very low29.4Very low77 Ų77107.6 Ų107.664%0.63662%0.618SS**  trans-67.3112169.400000106.5V361 I365V361-A363 PolarHBondContact O-N 3.37Å; A363-I365 PolarHBondContact O-N 3.47Å
364D22.2Very low28.3Very low147 Ų147112.7 Ų112.779%0.78665%0.647SS**  trans-54.6105.2174.2-67.5-44.1000109.3Q362 L366Q362-D364 PolarHBondContact O-N 3.45Å; Q362-D364 VanDerWaalsContact O-N 3.12Å; D364-L366 PolarHBondContact O-N 3.06Å
365I25.2Very low27.6Very low144 Ų144113.4 Ų113.474%0.73866%0.661SS**  trans-86.199.8161.3-60.5177.7000105.1A363 T367A363-I365 PolarHBondContact O-N 3.47Å; I365-T367 HydrophobicContact CG2-CG2 4.11Å; I365-T367 PolarHBondContact O-N 3.37Å; I365-T367 VanDerWaalsContact O-N 3.08Å
366L21.7Very low26.7Very low166 Ų166118.5 Ų118.587%0.86969%0.694SS**  trans-54108.1162.4-68.1162.1000108D364D364-L366 PolarHBondContact O-N 3.06Å
367T22.2Very low26.5Very low120 Ų120121.3 Ų121.374%0.73671%0.714SS**PPolyproline II helixtrans-102.2120.9167.748.60000109.3I365I365-T367 HydrophobicContact CG2-CG2 4.11Å; I365-T367 PolarHBondContact O-N 3.37Å; I365-T367 VanDerWaalsContact O-N 3.08Å
368P25.5Very low26.4Very low124 Ų124124.5 Ų124.581%0.80573%0.727SS**PPolyproline II helixtrans-70.5163.8173.3-12.227.8000112.6
369T21.8Very low27.3Very low119 Ų119124 Ų12473%0.7373%0.727SS**PPolyproline II helixtrans-68160.6-17947.40000114.8
370D23.5Very low28.8Very low140 Ų140127.2 Ų127.275%0.74974%0.742SS**  trans88.5111.3155.5-56.9-32.9000121
371N26.6Very low31.1Very low150 Ų150122.9 Ų122.980%0.80273%0.727SS**  trans49.3144.5133.6-72.5-13.3000123.1
372D27Very low33.8Very low146 Ų146121.3 Ų121.378%0.78171%0.713SS**  trans93.297.6163-68.2-33.2000120.4
373T23.7Very low36.5Very low119 Ų119118.5 Ų118.573%0.7371%0.705SS**  37.2102.3124.6-29.80000119.6
374T28.8Very low39.2Very low129 Ų129115.2 Ų115.279%0.79168%0.678SS**  trans67.8147.9160140000117.9
375P32.8Very low41.8Very low116 Ų116112.4 Ų112.475%0.75367%0.668SS**  cis-127.8168.59.634.8-14.7000116A377P375-A377 PolarHBondContact O-N 3.44Å
376C28.8Very low44.2Very low124 Ų124110.8 Ų110.884%0.83866%0.657SS**  trans-31117.2174.3-81.80000114T378C376-T378 PolarHBondContact O-N 3.31Å
377A35.6Very low46.3Very low92 Ų92112.8 Ų112.876%0.7666%0.658SS**  trans-47.9115171.300000110.5P375 V379P375-A377 PolarHBondContact O-N 3.44Å; A377-V379 PolarHBondContact O-N 3.46Å
378T34.9Very low48.8Very low131 Ų131111 Ų11180%0.80466%0.663SS**  trans-58105.7167.846.50000107.6C376 D380C376-T378 PolarHBondContact O-N 3.31Å; T378-D380 PolarHBondContact O-N 3.14Å
379V46.5Very low51.3Low92 Ų92106.2 Ų106.256%0.55863%0.633SS**  trans-57.9121.6177-179.70000107.6A377 V381 N394A377-V379 PolarHBondContact O-N 3.46Å; V379-V381 WeakPolarHBondContact O-CG2 3.36Å; V379-V381 PolarHBondContact O-N 2.89Å; V379-N394 HydrophobicContact CG1-CB 3.43Å; V379-N394 VanDerWaalsContact CG1-CB 3.43Å
380D59.2Low53.8Low127 Ų127108 Ų10868%0.67964%0.638SS**  trans-57.7102.1174.2-79.4-34.4000109.8T378 F382T378-D380 PolarHBondContact O-N 3.14Å; D380-F382 PolarHBondContact O-N 3.2Å
381V77Confident56.5Low77 Ų77104.3 Ų104.347%0.46762%0.615SS.*  trans-87.7105.1174.7-178.40000107.6V379 V383 K392 T393V379-V381 WeakPolarHBondContact O-CG2 3.36Å; V379-V381 PolarHBondContact O-N 2.89Å; V381-V383 HydrophobicContact CG1-CG2 4.03Å; V381-V383 PolarHBondContact O-N 2.92Å; V381-V383 VanDerWaalsContact O-N 3.08Å; V381-K392 HydrophobicContact CG1-CB 3.72Å; V381-K392 HydrophobicContact CG1-CG 4.48Å; V381-T393 CarbonylContact C-O 3.6Å
382F79.1Confident58.8Low61 Ų61104.6 Ų104.627%0.26861%0.609SS.*EExtended strand (participates in β ladder)trans-67.7102.4169.3-60.7-87.8000109.4D380 K392 T393 R396 Y399D380-F382 PolarHBondContact O-N 3.2Å; F382-K392 CarbonylContact O-C 3.57Å; F382-K392 WeakPolarHBondContact O-CA 3.44Å; F382-T393 WeakPolarHBondContact CA-O 3.33Å; F382-T393 HydrophobicContact CB-CG2 4.09Å; F382-T393 WeakPolarHBondContact CB-O 3.39Å; F382-T393 PolarHBondContact N-O 3.46Å; F382-T393 PolarHBondContact O-N 3.23Å; F382-R396 HydrophobicContact CE1-CG 4.35Å; F382-R396 HydrophobicContact CE2-CB 4.25Å; F382-R396 HydrophobicContact CZ-CB 4.08Å; F382-R396 HydrophobicContact CZ-CG 4.33Å; F382-Y399 HydrophobicContact CB-CD1 4.5Å; F382-Y399 HydrophobicContact CB-CD2 3.9Å; F382-Y399 HydrophobicContact CB-CG 3.87Å; F382-Y399 HydrophobicContact CD1-CD1 4.27Å; F382-Y399 HydrophobicContact CD1-CG 4.44Å; F382-Y399 HydrophobicContact CG-CG 4.38Å
383V80.6Confident61Low87 Ų8799 Ų9953%0.52758%0.58SS.*EExtended strand (participates in β ladder)trans-93.1136.6173.2-174.90000109.2V381 P385 F391 K392V381-V383 HydrophobicContact CG1-CG2 4.03Å; V381-V383 PolarHBondContact O-N 2.92Å; V381-V383 VanDerWaalsContact O-N 3.08Å; V383-P385 WeakPolarHBondContact O-CD 3.28Å; V383-F391 WeakPolarHBondContact CA-O 3.44Å; V383-K392 HydrophobicContact CG2-CB 4.11Å
384C80.3Confident63.3Low9 Ų998 Ų986%0.06157%0.571CS.*  trans-64.2125.4174.4-172.60000110.4H386 C389 F391 H407C384-H386 PolarHBondContact O-N 2.92Å; C384-C389 HydrophobicContact CB-CB 4.11Å; C384-F391 HydrophobicContact CB-CB 4.08Å; C384-F391 PolarHBondContact N-O 2.72Å; C384-H407 PolarHBondContact SG-CD2 3.46Å; C384-H407 PolarHBondContact SG-NE2 3.06Å; C384-H407 VanDerWaalsContact SG-NE2 3.38Å
385P76.7Confident65.1Low88 Ų8896.1 Ų96.157%0.57155%0.551SS**  trans-75.1-7-179.729.1-34.8000113.8V383 K387 Y399 L410V383-P385 WeakPolarHBondContact O-CD 3.28Å; P385-K387 PolarHBondContact O-N 3.08Å; P385-Y399 WeakPolarHBondContact CD-OH 3.26Å; P385-L410 HydrophobicContact CG-CD1 4.24Å
386H75.7Confident66.8Low110 Ų11098.9 Ų98.951%0.50955%0.547SS..SBendtrans-74.1122.7-174.6-156.284.8000111.4C384 G388 C389 H407C384-H386 PolarHBondContact O-N 2.92Å; H386-G388 PolarHBondContact O-N 3.03Å; H386-C389 HydrophobicContact CB-CB 4.09Å; H386-C389 WeakPolarHBondContact O-CB 3.32Å; H386-C389 PolarHBondContact O-N 3.45Å; H386-H407 AromaticContact CD2-CE1 3.43Å; H386-H407 PolarHBondContact CD2-CE1 3.16Å; H386-H407 VanDerWaalsContact CD2-CE1 3.43Å; H386-H407 AromaticContact CD2-ND1 3.48Å; H386-H407 PolarHBondContact CD2-ND1 3.37Å; H386-H407 AromaticContact CE1-ND1 3.9Å; H386-H407 AromaticContact CG-CE1 3.48Å; H386-H407 VanDerWaalsContact CG-CE1 3.48Å; H386-H407 AromaticContact CG-ND1 3.38Å; H386-H407 AromaticContact ND1-ND1 3.66Å; H386-H407 AromaticContact NE2-ND1 3.79Å
387K66.6Low68.2Low208 Ų20899 Ų9990%0.90454%0.539SS*.THydrogen-bonded Turntrans-52124.2178.1-90.7-166.6174.2-176.40110.6P385P385-K387 PolarHBondContact O-N 3.08Å
388G74.2Confident69.6Low82 Ų8296 Ų9685%0.84552%0.517SS*.THydrogen-bonded Turntrans89.2-3.2-177.800000115.6H386H386-G388 PolarHBondContact O-N 3.03Å
389C78.9Confident71.4Confident24 Ų2492 Ų9216%0.16249%0.488CS..  trans-96.7107.8176.9-168.60000112.4C384 H386 F391 H402 H407C384-C389 HydrophobicContact CB-CB 4.11Å; H386-C389 HydrophobicContact CB-CB 4.09Å; H386-C389 WeakPolarHBondContact O-CB 3.32Å; H386-C389 PolarHBondContact O-N 3.45Å; C389-F391 PolarHBondContact O-N 3.27Å; C389-F391 VanDerWaalsContact O-N 3.14Å; C389-H402 VanDerWaalsContact SG-CE1 3.51Å; C389-H402 PolarHBondContact SG-NE2 3.49Å; C389-H407 PolarHBondContact SG-NE2 3.44Å
390N74.2Confident72.4Confident157 Ų15792.2 Ų92.284%0.8449%0.485SS*.  trans-82.420.1-179-64.1-20.7000114.1K392N390-K392 PolarHBondContact O-N 3.02Å
391F79Confident72.6Confident62 Ų6289.7 Ų89.727%0.27247%0.474SS..  trans-77127.7-177.5-177.8-93.8000111.4V383 C384 C389 T393 H402V383-F391 WeakPolarHBondContact CA-O 3.44Å; C384-F391 HydrophobicContact CB-CB 4.08Å; C384-F391 PolarHBondContact N-O 2.72Å; C389-F391 PolarHBondContact O-N 3.27Å; C389-F391 VanDerWaalsContact O-N 3.14Å; F391-T393 HydrophobicContact CE1-CG2 3.53Å; F391-T393 HydrophobicContact CZ-CG2 3.89Å; F391-H402 WeakPolarHBondContact CB-CE1 3.46Å; F391-H402 WeakPolarHBondContact CB-NE2 3.28Å; F391-H402 HydrophobicContact CD1-CB 3.83Å; F391-H402 AromaticContact CD1-CD2 3.42Å; F391-H402 VanDerWaalsContact CD1-CD2 3.42Å; F391-H402 WeakPolarHBondContact CD1-CD2 3.38Å; F391-H402 AromaticContact CD1-CG 3.38Å; F391-H402 AromaticContact CD1-ND1 3.79Å; F391-H402 AromaticContact CD1-NE2 3.86Å; F391-H402 HydrophobicContact CD2-CB 4.36Å; F391-H402 AromaticContact CD2-CE1 3.84Å; F391-H402 AromaticContact CD2-CG 3.83Å; F391-H402 AromaticContact CD2-ND1 3.42Å; F391-H402 WeakPolarHBondContact CD2-ND1 3.34Å; F391-H402 HydrophobicContact CE1-CB 3.5Å; F391-H402 VanDerWaalsContact CE1-CB 3.5Å; F391-H402 AromaticContact CE1-CG 3.63Å; F391-H402 HydrophobicContact CE2-CB 4.08Å; F391-H402 AromaticContact CE2-ND1 3.9Å; F391-H402 HydrophobicContact CG-CB 4.24Å; F391-H402 AromaticContact CG-CD2 3.66Å; F391-H402 AromaticContact CG-CE1 3.44Å; F391-H402 VanDerWaalsContact CG-CE1 3.44Å; F391-H402 WeakPolarHBondContact CG-CE1 3.32Å; F391-H402 AromaticContact CG-CG 3.48Å; F391-H402 VanDerWaalsContact CG-CG 3.48Å; F391-H402 AromaticContact CG-ND1 3.35Å; F391-H402 WeakPolarHBondContact CG-ND1 3.32Å; F391-H402 AromaticContact CG-NE2 3.64Å; F391-H402 HydrophobicContact CZ-CB 3.64Å; F391-H402 AromaticContact CZ-CG 3.96Å
392K74.4Confident72.3Confident156 Ų15686.8 Ų86.868%0.67846%0.456SS*.EExtended strand (participates in β ladder)trans-138.5138175.260.6-177.3177.8-178.20110.3V381 F382 V383 N390V381-K392 HydrophobicContact CG1-CB 3.72Å; V381-K392 HydrophobicContact CG1-CG 4.48Å; F382-K392 CarbonylContact O-C 3.57Å; F382-K392 WeakPolarHBondContact O-CA 3.44Å; V383-K392 HydrophobicContact CG2-CB 4.11Å; N390-K392 PolarHBondContact O-N 3.02Å
393T75.1Confident72Confident28 Ų2885.2 Ų85.217%0.17245%0.45CS..EExtended strand (participates in β ladder)trans-150.6150.2178.9-173.40000111V381 F382 F391 K395V381-T393 CarbonylContact C-O 3.6Å; F382-T393 WeakPolarHBondContact CA-O 3.33Å; F382-T393 HydrophobicContact CB-CG2 4.09Å; F382-T393 WeakPolarHBondContact CB-O 3.39Å; F382-T393 PolarHBondContact N-O 3.46Å; F382-T393 PolarHBondContact O-N 3.23Å; F391-T393 HydrophobicContact CE1-CG2 3.53Å; F391-T393 HydrophobicContact CZ-CG2 3.89Å; T393-K395 VanDerWaalsContact C-N 3.28Å; T393-K395 WeakPolarHBondContact CG2-O 3.4Å; T393-K395 PolarHBondContact OG1-N 3.24Å
394N72Confident71.2Confident98 Ų9884.1 Ų84.152%0.52446%0.456SS..SBendtrans-88.110.5170.662.5-7.8000113.4V379V379-N394 HydrophobicContact CG1-CB 3.43Å; V379-N394 VanDerWaalsContact CG1-CB 3.43Å
395K65.1Low70.3Confident89 Ų8993.5 Ų93.539%0.38749%0.49SS..  trans-124.9118.9-177-64-169.5-179.8-165.50112.4T393 N397 G398 Y399T393-K395 VanDerWaalsContact C-N 3.28Å; T393-K395 WeakPolarHBondContact CG2-O 3.4Å; T393-K395 PolarHBondContact OG1-N 3.24Å; K395-N397 VanDerWaalsContact C-N 3.32Å; K395-N397 PolarHBondContact O-N 2.97Å; K395-G398 WeakPolarHBondContact O-CA 3.34Å; K395-G398 PolarHBondContact O-N 2.85Å; K395-Y399 PolarHBondContact O-N 3.44Å
396R69.1Low69.8Low175 Ų17596.8 Ų96.866%0.6650%0.495SS*.Hα-helixtrans-53.7-42.3176.6-161.4174.9-160.7163.35.3113.5F382 G398 Y399 L400F382-R396 HydrophobicContact CE1-CG 4.35Å; F382-R396 HydrophobicContact CE2-CB 4.25Å; F382-R396 HydrophobicContact CZ-CB 4.08Å; F382-R396 HydrophobicContact CZ-CG 4.33Å; R396-G398 VanDerWaalsContact C-N 3.32Å; R396-G398 PolarHBondContact O-N 2.91Å; R396-Y399 WeakPolarHBondContact O-CB 3.29Å; R396-Y399 PolarHBondContact O-N 2.93Å; R396-L400 HydrophobicContact CG-CD1 4.35Å; R396-L400 HydrophobicContact CG-CG 4.49Å; R396-L400 WeakPolarHBondContact O-CG 3.4Å; R396-L400 PolarHBondContact O-N 3.39Å
397N58.8Low69.2Low127 Ų12793 Ų9368%0.67948%0.478SS*.Hα-helixtrans-63.9-37.1176.1-75.51.5000112.5K395 Y399 V401K395-N397 VanDerWaalsContact C-N 3.32Å; K395-N397 PolarHBondContact O-N 2.97Å; N397-Y399 VanDerWaalsContact C-N 3.33Å; N397-V401 WeakPolarHBondContact O-CB 3.38Å; N397-V401 WeakPolarHBondContact O-CG2 3.26Å; N397-V401 PolarHBondContact O-N 3.35Å
398G64.5Low68.8Low29 Ų2990.8 Ų90.830%0.29948%0.476SS..Hα-helixtrans-64.5-40.1174.600000111.6K395 R396 H402K395-G398 WeakPolarHBondContact O-CA 3.34Å; K395-G398 PolarHBondContact O-N 2.85Å; R396-G398 VanDerWaalsContact C-N 3.32Å; R396-G398 PolarHBondContact O-N 2.91Å; G398-H402 VanDerWaalsContact O-CB 3.26Å; G398-H402 WeakPolarHBondContact O-CB 3.43Å; G398-H402 PolarHBondContact O-N 3.25Å
399Y72.3Confident67.3Low46 Ų4692 Ų9218%0.1847%0.469CS..Hα-helixtrans-65.4-46.5174.8176.8-110.6000112.7F382 P385 K395 R396 N397 V401 H402 I403F382-Y399 HydrophobicContact CB-CD1 4.5Å; F382-Y399 HydrophobicContact CB-CD2 3.9Å; F382-Y399 HydrophobicContact CB-CG 3.87Å; F382-Y399 HydrophobicContact CD1-CD1 4.27Å; F382-Y399 HydrophobicContact CD1-CG 4.44Å; F382-Y399 HydrophobicContact CG-CG 4.38Å; P385-Y399 WeakPolarHBondContact CD-OH 3.26Å; K395-Y399 PolarHBondContact O-N 3.44Å; R396-Y399 WeakPolarHBondContact O-CB 3.29Å; R396-Y399 PolarHBondContact O-N 2.93Å; N397-Y399 VanDerWaalsContact C-N 3.33Å; Y399-V401 PolarHBondContact O-N 3.22Å; Y399-H402 WeakPolarHBondContact O-CB 3.45Å; Y399-H402 PolarHBondContact O-N 2.96Å; Y399-H402 VanDerWaalsContact O-N 3.16Å; Y399-I403 HydrophobicContact CD1-CD1 3.9Å; Y399-I403 HydrophobicContact CD2-CD1 4.11Å; Y399-I403 HydrophobicContact CD2-CG1 4.46Å; Y399-I403 HydrophobicContact CE1-CD1 3.32Å; Y399-I403 HydrophobicContact CE2-CD1 3.56Å; Y399-I403 HydrophobicContact CE2-CG1 4.14Å; Y399-I403 HydrophobicContact CG-CD1 4.27Å; Y399-I403 PolarHBondContact O-N 2.81Å; Y399-I403 WeakPolarHBondContact OH-CD1 3.28Å
400L66.9Low65.2Low97 Ų9796.8 Ų96.851%0.50849%0.492SS..Hα-helixtrans-63.7-41.3177.4-69.4173.7000112.2R396 H402 G404R396-L400 HydrophobicContact CG-CD1 4.35Å; R396-L400 HydrophobicContact CG-CG 4.49Å; R396-L400 WeakPolarHBondContact O-CG 3.4Å; R396-L400 PolarHBondContact O-N 3.39Å; L400-H402 VanDerWaalsContact C-N 3.32Å; L400-G404 PolarHBondContact O-N 3.3Å
401V64.4Low63.4Low73 Ų7395 Ų9544%0.44249%0.489SS..Hα-helixtrans-66.2-36.6174.1171.30000111.2N397 Y399 R405N397-V401 WeakPolarHBondContact O-CB 3.38Å; N397-V401 WeakPolarHBondContact O-CG2 3.26Å; N397-V401 PolarHBondContact O-N 3.35Å; Y399-V401 PolarHBondContact O-N 3.22Å; V401-R405 HydrophobicContact CG1-CG 4.5Å; V401-R405 VanDerWaalsContact O-CB 3.29Å; V401-R405 WeakPolarHBondContact O-CB 3.36Å; V401-R405 VanDerWaalsContact O-CG 3.22Å; V401-R405 WeakPolarHBondContact O-CG 3.14Å; V401-R405 PolarHBondContact O-N 2.78Å
402H70Confident61.3Low17 Ų1797.2 Ų97.28%0.07951%0.512CS..Hα-helixtrans-65.9-52.4176.6171.579.8000111.7C389 F391 G398 Y399 L400 R405 K406 H407C389-H402 VanDerWaalsContact SG-CE1 3.51Å; C389-H402 PolarHBondContact SG-NE2 3.49Å; F391-H402 WeakPolarHBondContact CB-CE1 3.46Å; F391-H402 WeakPolarHBondContact CB-NE2 3.28Å; F391-H402 HydrophobicContact CD1-CB 3.83Å; F391-H402 AromaticContact CD1-CD2 3.42Å; F391-H402 VanDerWaalsContact CD1-CD2 3.42Å; F391-H402 WeakPolarHBondContact CD1-CD2 3.38Å; F391-H402 AromaticContact CD1-CG 3.38Å; F391-H402 AromaticContact CD1-ND1 3.79Å; F391-H402 AromaticContact CD1-NE2 3.86Å; F391-H402 HydrophobicContact CD2-CB 4.36Å; F391-H402 AromaticContact CD2-CE1 3.84Å; F391-H402 AromaticContact CD2-CG 3.83Å; F391-H402 AromaticContact CD2-ND1 3.42Å; F391-H402 WeakPolarHBondContact CD2-ND1 3.34Å; F391-H402 HydrophobicContact CE1-CB 3.5Å; F391-H402 VanDerWaalsContact CE1-CB 3.5Å; F391-H402 AromaticContact CE1-CG 3.63Å; F391-H402 HydrophobicContact CE2-CB 4.08Å; F391-H402 AromaticContact CE2-ND1 3.9Å; F391-H402 HydrophobicContact CG-CB 4.24Å; F391-H402 AromaticContact CG-CD2 3.66Å; F391-H402 AromaticContact CG-CE1 3.44Å; F391-H402 VanDerWaalsContact CG-CE1 3.44Å; F391-H402 WeakPolarHBondContact CG-CE1 3.32Å; F391-H402 AromaticContact CG-CG 3.48Å; F391-H402 VanDerWaalsContact CG-CG 3.48Å; F391-H402 AromaticContact CG-ND1 3.35Å; F391-H402 WeakPolarHBondContact CG-ND1 3.32Å; F391-H402 AromaticContact CG-NE2 3.64Å; F391-H402 HydrophobicContact CZ-CB 3.64Å; F391-H402 AromaticContact CZ-CG 3.96Å; G398-H402 VanDerWaalsContact O-CB 3.26Å; G398-H402 WeakPolarHBondContact O-CB 3.43Å; G398-H402 PolarHBondContact O-N 3.25Å; Y399-H402 WeakPolarHBondContact O-CB 3.45Å; Y399-H402 PolarHBondContact O-N 2.96Å; Y399-H402 VanDerWaalsContact O-N 3.16Å; L400-H402 VanDerWaalsContact C-N 3.32Å; H402-R405 PolarHBondContact O-N 2.85Å; H402-K406 WeakPolarHBondContact O-CB 3.4Å; H402-K406 PolarHBondContact O-N 3.45Å; H402-H407 AromaticContact NE2-CD2 3.71Å; H402-H407 AromaticContact NE2-NE2 3.54Å
403I72.8Confident59Low27 Ų2797.4 Ų97.414%0.13852%0.521CS..Hα-helixtrans-56.8-58.6175.8-69.8170.9000109.1Y399 R405 K406 H407Y399-I403 HydrophobicContact CD1-CD1 3.9Å; Y399-I403 HydrophobicContact CD2-CD1 4.11Å; Y399-I403 HydrophobicContact CD2-CG1 4.46Å; Y399-I403 HydrophobicContact CE1-CD1 3.32Å; Y399-I403 HydrophobicContact CE2-CD1 3.56Å; Y399-I403 HydrophobicContact CE2-CG1 4.14Å; Y399-I403 HydrophobicContact CG-CD1 4.27Å; Y399-I403 PolarHBondContact O-N 2.81Å; Y399-I403 WeakPolarHBondContact OH-CD1 3.28Å; I403-R405 PolarHBondContact O-N 3.41Å; I403-K406 PolarHBondContact O-N 2.98Å; I403-K406 VanDerWaalsContact O-N 3.11Å; I403-H407 CarbonylContact C-O 3.6Å; I403-H407 CarbonylContact O-C 3.31Å; I403-H407 PolarHBondContact O-N 3.29Å
404G63.4Low56.8Low64 Ų64101.7 Ų101.766%0.6655%0.552SS**Hα-helixtrans-61.2-11.5-175.100000115.6L400L400-G404 PolarHBondContact O-N 3.3Å
405R62.2Low54.6Low207 Ų207101.7 Ų101.778%0.78156%0.56SS**Hα-helixtrans-105.8-29.9175-72.5-179177.4-177.81.7114.7V401 H402 I403V401-R405 HydrophobicContact CG1-CG 4.5Å; V401-R405 VanDerWaalsContact O-CB 3.29Å; V401-R405 WeakPolarHBondContact O-CB 3.36Å; V401-R405 VanDerWaalsContact O-CG 3.22Å; V401-R405 WeakPolarHBondContact O-CG 3.14Å; V401-R405 PolarHBondContact O-N 2.78Å; H402-R405 PolarHBondContact O-N 2.85Å; I403-R405 PolarHBondContact O-N 3.41Å
406K65.8Low52.8Low156 Ų156105.1 Ų105.168%0.67858%0.581SS**Hα-helixtrans-112.7-25.5-172.2-74-145.2178-171.10114.3H402 I403H402-K406 WeakPolarHBondContact O-CB 3.4Å; H402-K406 PolarHBondContact O-N 3.45Å; I403-K406 PolarHBondContact O-N 2.98Å; I403-K406 VanDerWaalsContact O-N 3.11Å
407H64.2Low50.6Low32 Ų32106.5 Ų106.515%0.14860%0.595CS.*SBendtrans-131123.8-176.6-57.1-61.7000108.7C384 H386 C389 H402 I403C384-H407 PolarHBondContact SG-CD2 3.46Å; C384-H407 PolarHBondContact SG-NE2 3.06Å; C384-H407 VanDerWaalsContact SG-NE2 3.38Å; H386-H407 AromaticContact CD2-CE1 3.43Å; H386-H407 PolarHBondContact CD2-CE1 3.16Å; H386-H407 VanDerWaalsContact CD2-CE1 3.43Å; H386-H407 AromaticContact CD2-ND1 3.48Å; H386-H407 PolarHBondContact CD2-ND1 3.37Å; H386-H407 AromaticContact CE1-ND1 3.9Å; H386-H407 AromaticContact CG-CE1 3.48Å; H386-H407 VanDerWaalsContact CG-CE1 3.48Å; H386-H407 AromaticContact CG-ND1 3.38Å; H386-H407 AromaticContact ND1-ND1 3.66Å; H386-H407 AromaticContact NE2-ND1 3.79Å; C389-H407 PolarHBondContact SG-NE2 3.44Å; H402-H407 AromaticContact NE2-CD2 3.71Å; H402-H407 AromaticContact NE2-NE2 3.54Å; I403-H407 CarbonylContact C-O 3.6Å; I403-H407 CarbonylContact O-C 3.31Å; I403-H407 PolarHBondContact O-N 3.29Å
408N57.7Low49Very low161 Ų161105.6 Ų105.686%0.86160%0.599SS**PPolyproline II helixtrans-57.6138.6172.7-79.5-5.6000109.3L410N408-L410 PolarHBondContact O-N 3.5Å
409P42Very low47Very low107 Ų107109.2 Ų109.270%0.69562%0.619SS**PPolyproline II helixtrans-58.5134-165.519.6-30.4000111.7
410L36.3Very low44.8Very low125 Ų125112 Ų11265%0.65465%0.646SS**PPolyproline II helixtrans-58130.5174-71.8163.4000109P385 N408 S412P385-L410 HydrophobicContact CG-CD1 4.24Å; N408-L410 PolarHBondContact O-N 3.5Å; L410-S412 PolarHBondContact O-N 2.87Å
411P35.7Very low42.9Very low119 Ų119114.7 Ų114.777%0.77366%0.661SS**PPolyproline II helixtrans-58.3126.9172.7-18.929.8000109.5N413P411-N413 PolarHBondContact O-N 2.8Å
412S34.8Very low40.8Very low109 Ų109122.6 Ų122.676%0.76268%0.682SS**PPolyproline II helixtrans-60.3126.8172.344.80000109.9L410 S414L410-S412 PolarHBondContact O-N 2.87Å; S412-S414 PolarHBondContact O-N 3.35Å
413N26Very low38.8Very low160 Ų160127.5 Ų127.586%0.85672%0.716SS**  trans-48.2101.8169.9-79.7-15.4000110.9P411P411-N413 PolarHBondContact O-N 2.8Å
414S28.1Very low36.7Very low117 Ų117137 Ų13782%0.81875%0.752SS**  trans-92.1101.5157.855.60000107.2S412S412-S414 PolarHBondContact O-N 3.35Å
415S27.4Very low34.6Very low99 Ų99138.5 Ų138.569%0.69275%0.752SS**  trans-81.7120.6171.3-56.60000109.3
416L26.3Very low32.8Very low160 Ų160134.2 Ų134.284%0.83875%0.749SS**  trans5997.3154.2-68.990.4000118.1
417E22.9Very low30.8Very low205 Ų205133.2 Ų133.296%0.95875%0.751SS**  -140.7132.7120.7-74.3-160.9156.400109.8
418S25Very low29Very low107 Ų107138.8 Ų138.875%0.74878%0.782SS**  trans-85.9142.5-174.741.80000112.2
419S23.9Very low27.6Very low105 Ų105136.6 Ų136.673%0.73478%0.779SS**  trans58.1106.3145.455.10000118.7
420S25Very low27.1Very low105 Ų105136.6 Ų136.673%0.73478%0.779SS**  172.914795.239.60000111.1
421D26.4Very low26.8Very low154 Ų154138.7 Ų138.782%0.82479%0.791SS**  trans83.494.2158.2-54.8-20.8000121.3
422R20.9Very low27Very low238 Ų238138.1 Ų138.190%0.89879%0.785SS**  trans-47.8152.8138.2-85.8179.4172.7-169.9-1.7110.7
423P29Very low27.7Very low120 Ų120138.4 Ų138.478%0.77979%0.787SS**  -150.5175.954.336.8-14.3000117.9
424Y27.3Very low29.1Very low227 Ų227139.4 Ų139.489%0.8979%0.787SS**  trans97.8110.5162.9-115.3-93.1000119.8
425S20.9Very low31.1Very low95 Ų95139.4 Ų139.466%0.66477%0.774SS**  trans-57.2147.5164.7-52.30000113.2
426T23.9Very low33.7Very low117 Ų117141.9 Ų141.972%0.71877%0.768SS**  161.3126102.542.30000110.5
427D23.8Very low36.9Very low135 Ų135136.4 Ų136.472%0.72274%0.739SS**  trans72109.3140.3-59.5-28.3000122.4
428N25.6Very low40.2Very low149 Ų149129 Ų12980%0.79770%0.703SS**  56.882.4126.5-64.4-27.6000117.7
429S27.7Very low43.4Very low116 Ų116125.7 Ų125.781%0.81168%0.676SS**  trans-108.1113.1151.9-1550000109.9N431S429-N431 PolarHBondContact O-N 3.09Å
430P33.1Very low46.6Very low106 Ų106120.8 Ų120.869%0.68864%0.642SS**  trans-75100-178.429.3-30.5000109.3T432P430-T432 PolarHBondContact O-N 2.9Å
431N29.5Very low49.6Very low169 Ų169118.9 Ų118.990%0.90462%0.621SS**  trans-78.856169.4-136.2-9.6000109.6S429S429-N431 PolarHBondContact O-N 3.09Å
432T38.8Very low52.6Low107 Ų107115.8 Ų115.866%0.65660%0.604SS**  trans-91.3101.3171.639.80000108P430 Q434P430-T432 PolarHBondContact O-N 2.9Å; T432-Q434 VanDerWaalsContact C-N 3.32Å; T432-Q434 PolarHBondContact O-N 2.68Å
433S49.8Very low55.9Low115 Ų115106.6 Ų106.680%0.80458%0.575SS**  trans-48.598.7161.1440000108.9E435S433-E435 PolarHBondContact O-N 2.66Å
434Q55.5Low58.9Low181 Ų181106.4 Ų106.485%0.84658%0.577SS**  trans-52.8110.3-179.7-80.2174.9-27.200108.7T432 R436T432-Q434 VanDerWaalsContact C-N 3.32Å; T432-Q434 PolarHBondContact O-N 2.68Å; Q434-R436 PolarHBondContact O-N 2.85Å; Q434-R436 VanDerWaalsContact O-N 3.15Å
435E71.3Confident61.9Low117 Ų11797.7 Ų97.755%0.54755%0.547SS..  trans-61.1117.8177.1-170177-169.300107.7S433 L437S433-E435 PolarHBondContact O-N 2.66Å; E435-L437 HydrophobicContact CB-CD2 4.33Å; E435-L437 HydrophobicContact CG-CD2 4.04Å; E435-L437 WeakPolarHBondContact O-CG 3.32Å; E435-L437 PolarHBondContact O-N 3.35Å
436R82.3Confident65.3Low152 Ų15296.1 Ų96.157%0.57453%0.533SS*.  trans-70.396.9178.7-66.9-179.3-174.51622.6109.6Q434 Y482Q434-R436 PolarHBondContact O-N 2.85Å; Q434-R436 VanDerWaalsContact O-N 3.15Å; R436-Y482 HydrophobicContact CB-CD2 4.15Å; R436-Y482 HydrophobicContact CB-CE2 3.78Å
437L92.2Very high68.7Low44 Ų4493.8 Ų93.823%0.2351%0.513CS..  trans-79.5166.8-179-51171.8000112.2E435 V446 R448 Y482E435-L437 HydrophobicContact CB-CD2 4.33Å; E435-L437 HydrophobicContact CG-CD2 4.04Å; E435-L437 WeakPolarHBondContact O-CG 3.32Å; E435-L437 PolarHBondContact O-N 3.35Å; L437-V446 HydrophobicContact CB-CG1 3.48Å; L437-V446 VanDerWaalsContact CB-CG1 3.48Å; L437-V446 HydrophobicContact CD1-CG1 3.52Å; L437-V446 HydrophobicContact CG-CG1 4.09Å; L437-R448 HydrophobicContact CD2-CG 4.05Å; L437-Y482 PolarHBondContact O-N 3.48Å
438Y92.8Very high71.9Confident51 Ų5195.7 Ų95.720%0.251%0.511CS..EExtended strand (participates in β ladder)trans-104.1113.2177-72.5-99.7000109.8V446 K447 R448 G450 L453 Y474 Y482Y438-V446 CarbonylContact O-C 3.41Å; Y438-K447 PolarHBondContact N-O 3.46Å; Y438-K447 PolarHBondContact O-N 3.15Å; Y438-R448 WeakPolarHBondContact CD2-O 3.34Å; Y438-G450 VanDerWaalsContact CD1-CA 3.42Å; Y438-G450 VanDerWaalsContact CE1-CA 3.5Å; Y438-L453 HydrophobicContact CD1-CD2 4.4Å; Y438-Y474 HydrophobicContact CD1-CD1 4.15Å; Y438-Y474 HydrophobicContact CD1-CD2 4.24Å; Y438-Y474 AromaticContact CD1-CG 3.98Å; Y438-Y474 HydrophobicContact CD1-CG 3.98Å; Y438-Y474 AromaticContact CE1-CD2 3.95Å; Y438-Y474 HydrophobicContact CE1-CD2 3.95Å; Y438-Y474 AromaticContact CE1-CG 3.9Å; Y438-Y474 HydrophobicContact CE1-CG 3.9Å; Y438-Y482 CarbonylContact C-O 3.53Å; Y438-Y482 WeakPolarHBondContact CA-O 3.44Å; Y438-Y482 VanDerWaalsContact CD1-CB 3.41Å; Y438-Y482 HydrophobicContact CD1-CD2 4.43Å; Y438-Y482 HydrophobicContact CD1-CG 4.09Å; Y438-Y482 HydrophobicContact CD2-CD2 4.27Å; Y438-Y482 HydrophobicContact CE1-CD1 4.36Å; Y438-Y482 HydrophobicContact CE1-CD2 4.04Å; Y438-Y482 AromaticContact CE1-CG 3.75Å; Y438-Y482 HydrophobicContact CE1-CG 3.75Å; Y438-Y482 AromaticContact CE2-CD2 3.85Å; Y438-Y482 HydrophobicContact CE2-CD2 3.85Å; Y438-Y482 HydrophobicContact CE2-CE2 4.42Å; Y438-Y482 HydrophobicContact CE2-CG 4.4Å; Y438-Y482 AromaticContact CZ-CD2 3.72Å; Y438-Y482 AromaticContact CZ-CG 3.91Å
439M92.3Very high74.9Confident36 Ų3696.3 Ų96.318%0.17750%0.502CS..EExtended strand (participates in β ladder)trans-106.7139.1-176.7-60.7-175.578.600111.4V446 L453 H481 Y482 R483M439-V446 HydrophobicContact CE-CG2 3.73Å; M439-V446 HydrophobicContact CG-CB 4.46Å; M439-V446 HydrophobicContact CG-CG1 4.01Å; M439-V446 HydrophobicContact CG-CG2 3.97Å; M439-L453 WeakPolarHBondContact O-CD2 3.47Å; M439-H481 HydrophobicContact CG-CB 3.83Å; M439-H481 HydrophobicContact SD-CB 3.58Å; M439-H481 VanDerWaalsContact SD-CB 3.58Å; M439-Y482 PolarHBondContact N-O 3.17Å; M439-R483 HydrophobicContact CB-CG 4.29Å
440C90.7Very high77.7Confident2 Ų291.3 Ų91.31%0.01447%0.468CS..  trans-66.7146.3166.1-170.80000109.8I442 C443 V445 L453 H456 H461 R483C440-I442 PolarHBondContact SG-N 3.18Å; C440-I442 VanDerWaalsContact SG-N 3.41Å; C440-C443 CarbonylContact C-O 3.42Å; C440-C443 WeakPolarHBondContact CB-O 3.39Å; C440-V445 HydrophobicContact CB-CB 4.21Å; C440-V445 PolarHBondContact N-O 3.38Å; C440-L453 HydrophobicContact CB-CD1 3.91Å; C440-H456 WeakPolarHBondContact CB-NE2 3.37Å; C440-H456 PolarHBondContact SG-NE2 3.06Å; C440-H461 VanDerWaalsContact SG-CD2 3.55Å; C440-H461 PolarHBondContact SG-NE2 3.39Å; C440-R483 PolarHBondContact O-NH1 3.1Å
441H87.9Confident80.5Confident65 Ų6590.6 Ų90.630%0.30146%0.459SS..SBendtrans-96.5-11.4177.965.3-74.3000112.5L486H441-L486 WeakPolarHBondContact NE2-CD2 3.38Å
442I89.2Confident83.4Confident90 Ų9085.9 Ų85.946%0.46243%0.431SS..SBendtrans-100.4-33.5-179.4-56.1170.1000110.5C440 H461 L463C440-I442 PolarHBondContact SG-N 3.18Å; C440-I442 VanDerWaalsContact SG-N 3.41Å; I442-H461 HydrophobicContact CD1-CB 3.76Å; I442-H461 WeakPolarHBondContact CG2-CE1 3.27Å; I442-L463 HydrophobicContact CD1-CD1 4.18Å
443C91.1Very high86Confident44 Ų4480.8 Ų80.830%0.29740%0.4SS..SBendtrans-136.9175.4178.572.70000111.9C440 V445 H456 H461C440-C443 CarbonylContact C-O 3.42Å; C440-C443 WeakPolarHBondContact CB-O 3.39Å; C443-V445 PolarHBondContact O-N 2.92Å; C443-V445 VanDerWaalsContact O-N 3.14Å; C443-V445 VanDerWaalsContact SG-CG2 3.55Å; C443-H456 PolarHBondContact SG-CE1 2.61Å; C443-H456 PolarHBondContact SG-NE2 3.37Å; C443-H461 PolarHBondContact SG-NE2 2.82Å
444S90.6Very high88Confident117 Ų11776 Ų7682%0.81837%0.367SS*.SBendtrans-77.510.2-175.9-47.10000114.9V446S444-V446 PolarHBondContact O-N 3.35Å
445V92.1Very high89.8Confident43 Ų4374.7 Ų74.726%0.26136%0.358SS..  trans-68.1128.9-178.5168.40000111C440 C443 K447C440-V445 HydrophobicContact CB-CB 4.21Å; C440-V445 PolarHBondContact N-O 3.38Å; C443-V445 PolarHBondContact O-N 2.92Å; C443-V445 VanDerWaalsContact O-N 3.14Å; C443-V445 VanDerWaalsContact SG-CG2 3.55Å; V445-K447 HydrophobicContact CG1-CD 4.14Å; V445-K447 HydrophobicContact CG1-CG 4.11Å
446V91.9Very high90.8Very high62 Ų6269.4 Ų69.438%0.37633%0.334SS..EExtended strand (participates in β ladder)trans-118.1134.9174.6-170.20000109.6L437 Y438 M439 S444L437-V446 HydrophobicContact CB-CG1 3.48Å; L437-V446 VanDerWaalsContact CB-CG1 3.48Å; L437-V446 HydrophobicContact CD1-CG1 3.52Å; L437-V446 HydrophobicContact CG-CG1 4.09Å; Y438-V446 CarbonylContact O-C 3.41Å; M439-V446 HydrophobicContact CE-CG2 3.73Å; M439-V446 HydrophobicContact CG-CB 4.46Å; M439-V446 HydrophobicContact CG-CG1 4.01Å; M439-V446 HydrophobicContact CG-CG2 3.97Å; S444-V446 PolarHBondContact O-N 3.35Å
447K94Very high91.3Very high68 Ų6862.2 Ų62.230%0.29631%0.306SS..EExtended strand (participates in β ladder)trans-126.7151.9-179-62.8-58.4-172.6-168.40110.2Y438 V445 E452 L453Y438-K447 PolarHBondContact N-O 3.46Å; Y438-K447 PolarHBondContact O-N 3.15Å; V445-K447 HydrophobicContact CG1-CD 4.14Å; V445-K447 HydrophobicContact CG1-CG 4.11Å; K447-E452 HydrophobicContact CB-CB 3.91Å; K447-E452 HydrophobicContact CD-CB 3.91Å; K447-E452 HydrophobicContact CG-CB 3.89Å; K447-L453 HydrophobicContact CB-CB 4.24Å; K447-L453 HydrophobicContact CG-CB 4.2Å
448R90.7Very high91.3Very high176 Ų17663 Ų6366%0.66431%0.313SS*.SBendtrans-81.8-27.2176.4-65.9-169.4-176.1-169.92.3111.7L437 Y438 E452L437-R448 HydrophobicContact CD2-CG 4.05Å; Y438-R448 WeakPolarHBondContact CD2-O 3.34Å; R448-E452 PolarHBondContact N-OE2 3.19Å
449R88.9Confident91.2Very high161 Ų16168.6 Ų68.661%0.60833%0.334SS*.SBendtrans-124.9144.8-176.7-60.3178.2178.3175.82.1112.2N451 E452 L453R449-N451 VanDerWaalsContact C-N 3.27Å; R449-N451 WeakPolarHBondContact CB-OD1 3.29Å; R449-N451 PolarHBondContact O-N 3.2Å; R449-E452 HydrophobicContact CB-CG 4.24Å; R449-E452 PolarHBondContact N-OE2 3.36Å; R449-E452 WeakPolarHBondContact O-CB 3.32Å; R449-E452 PolarHBondContact O-N 2.94Å; R449-L453 PolarHBondContact O-N 3.15Å
450G87.9Confident91.3Very high11 Ų1170.2 Ų70.211%0.11334%0.343CS..Hα-helixtrans-64.7-25.7179.100000114.5Y438 S454 Y474Y438-G450 VanDerWaalsContact CD1-CA 3.42Å; Y438-G450 VanDerWaalsContact CE1-CA 3.5Å; G450-S454 WeakPolarHBondContact O-CB 3.35Å; G450-S454 PolarHBondContact O-N 2.84Å; G450-S454 PolarHBondContact O-OG 3.02Å; G450-Y474 PolarHBondContact O-OH 3.37Å
451N90.2Very high91.4Very high91 Ų9172.3 Ų72.349%0.48735%0.353SS..Hα-helixtrans-70.5-35.2174.865.2-15.8000112.3R449 S454 K455R449-N451 VanDerWaalsContact C-N 3.27Å; R449-N451 WeakPolarHBondContact CB-OD1 3.29Å; R449-N451 PolarHBondContact O-N 3.2Å; N451-S454 WeakPolarHBondContact O-CB 3.39Å; N451-S454 PolarHBondContact O-N 2.95Å; N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 2.72Å
452E92.1Very high91.5Very high70 Ų7077 Ų7733%0.32737%0.374SS..Hα-helixtrans-66.1-43.9173.9-64.7162.4-175.700110.5K447 R448 R449 S454 K455 H456K447-E452 HydrophobicContact CB-CB 3.91Å; K447-E452 HydrophobicContact CD-CB 3.91Å; K447-E452 HydrophobicContact CG-CB 3.89Å; R448-E452 PolarHBondContact N-OE2 3.19Å; R449-E452 HydrophobicContact CB-CG 4.24Å; R449-E452 PolarHBondContact N-OE2 3.36Å; R449-E452 WeakPolarHBondContact O-CB 3.32Å; R449-E452 PolarHBondContact O-N 2.94Å; E452-S454 VanDerWaalsContact C-N 3.29Å; E452-S454 PolarHBondContact O-N 2.76Å; E452-K455 PolarHBondContact O-N 2.84Å; E452-H456 PolarHBondContact O-N 3.28Å
453L92.7Very high91.4Very high1 Ų175.1 Ų75.11%0.00537%0.365CS..Hα-helixtrans-63.5-39.5174.3-176.960.5000110.7Y438 M439 C440 K447 R449 K455 H456 L457 Y474Y438-L453 HydrophobicContact CD1-CD2 4.4Å; M439-L453 WeakPolarHBondContact O-CD2 3.47Å; C440-L453 HydrophobicContact CB-CD1 3.91Å; K447-L453 HydrophobicContact CB-CB 4.24Å; K447-L453 HydrophobicContact CG-CB 4.2Å; R449-L453 PolarHBondContact O-N 3.15Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 3.28Å; L453-H456 WeakPolarHBondContact O-CB 3.46Å; L453-H456 PolarHBondContact O-N 2.83Å; L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.24Å; L453-L457 HydrophobicContact CG-CD1 4.02Å; L453-L457 HydrophobicContact CG-CG 4.27Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.24Å; L453-L457 PolarHBondContact O-N 3.28Å; L453-Y474 HydrophobicContact CB-CE1 4.4Å; L453-Y474 HydrophobicContact CD2-CD1 3.95Å; L453-Y474 HydrophobicContact CD2-CE1 3.42Å; L453-Y474 VanDerWaalsContact CD2-CE1 3.42Å; L453-Y474 HydrophobicContact CG-CE1 3.93Å
454S91.9Very high91Very high14 Ų1477.1 Ų77.110%0.09839%0.385CS..Hα-helixtrans-60.3-44176.7-55.80000111.9G450 N451 E452 L457 V458 Y474G450-S454 WeakPolarHBondContact O-CB 3.35Å; G450-S454 PolarHBondContact O-N 2.84Å; G450-S454 PolarHBondContact O-OG 3.02Å; N451-S454 WeakPolarHBondContact O-CB 3.39Å; N451-S454 PolarHBondContact O-N 2.95Å; E452-S454 VanDerWaalsContact C-N 3.29Å; E452-S454 PolarHBondContact O-N 2.76Å; S454-L457 PolarHBondContact O-N 3.29Å; S454-V458 WeakPolarHBondContact O-CG2 3.01Å; S454-V458 PolarHBondContact O-N 3Å; S454-V458 VanDerWaalsContact O-N 3.12Å; S454-Y474 VanDerWaalsContact CA-OH 3.23Å; S454-Y474 WeakPolarHBondContact CA-OH 3.36Å; S454-Y474 WeakPolarHBondContact CB-OH 3.47Å; S454-Y474 PolarHBondContact N-OH 3.38Å; S454-Y474 VanDerWaalsContact N-OH 3.1Å; S454-Y474 PolarHBondContact OG-OH 3.15Å
455K92.4Very high90.5Very high153 Ų15377.2 Ų77.267%0.66537%0.367SS*.Hα-helixtrans-63.2-43.6176.6-72.5177.4-180-173.80111.4N451 E452 L453 V458 R459N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 2.72Å; E452-K455 PolarHBondContact O-N 2.84Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 3.28Å; K455-V458 PolarHBondContact O-N 2.87Å; K455-R459 VanDerWaalsContact O-CB 3.26Å; K455-R459 WeakPolarHBondContact O-CB 3.2Å; K455-R459 PolarHBondContact O-N 3.28Å
456H92.9Very high89.4Confident7 Ų778.1 Ų78.13%0.03237%0.374CS..Hα-helixtrans-58.7-48.3175.5165.169.9000111.9C440 C443 E452 L453 V458 R459 D460 H461C440-H456 WeakPolarHBondContact CB-NE2 3.37Å; C440-H456 PolarHBondContact SG-NE2 3.06Å; C443-H456 PolarHBondContact SG-CE1 2.61Å; C443-H456 PolarHBondContact SG-NE2 3.37Å; E452-H456 PolarHBondContact O-N 3.28Å; L453-H456 WeakPolarHBondContact O-CB 3.46Å; L453-H456 PolarHBondContact O-N 2.83Å; H456-V458 VanDerWaalsContact C-N 3.35Å; H456-V458 PolarHBondContact O-N 3.07Å; H456-R459 PolarHBondContact O-N 2.98Å; H456-D460 IonicContact CE1-OD2 3.47Å; H456-D460 PolarHBondContact CE1-OD2 3.18Å; H456-D460 IonicContact CG-OD2 3.69Å; H456-D460 IonicContact ND1-OD2 2.69Å; H456-D460 PolarHBondContact ND1-OD2 3.46Å; H456-D460 WeakPolarHBondContact O-CB 3.22Å; H456-D460 PolarHBondContact O-N 2.88Å; H456-H461 AromaticContact CE1-CD2 3.92Å; H456-H461 AromaticContact CE1-NE2 3.61Å; H456-H461 AromaticContact NE2-CD2 3.47Å; H456-H461 PolarHBondContact NE2-CD2 2.92Å; H456-H461 AromaticContact NE2-NE2 3.27Å; H456-H461 PolarHBondContact NE2-NE2 3.01Å
457L92.6Very high88.2Confident0 Ų079.4 Ų79.40%039%0.385CS..Hα-helixtrans-61.9-38.8179.2-69.1170.4000113L453 S454 H461 H462 L463 F472 Y474 L484L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.24Å; L453-L457 HydrophobicContact CG-CD1 4.02Å; L453-L457 HydrophobicContact CG-CG 4.27Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.24Å; L453-L457 PolarHBondContact O-N 3.28Å; S454-L457 PolarHBondContact O-N 3.29Å; L457-H461 CarbonylContact O-C 3.51Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-N 3.46Å; L457-H462 PolarHBondContact O-N 3.4Å; L457-L463 HydrophobicContact CB-CB 4.49Å; L457-L463 HydrophobicContact CB-CD1 4.15Å; L457-L463 HydrophobicContact CD2-CD1 3.89Å; L457-L463 HydrophobicContact CG-CD1 4.45Å; L457-L463 PolarHBondContact O-N 3.48Å; L457-F472 HydrophobicContact CB-CE2 3.98Å; L457-F472 HydrophobicContact CD1-CD2 4.23Å; L457-F472 HydrophobicContact CD1-CE2 4.37Å; L457-Y474 HydrophobicContact CD1-CE1 4.21Å; L457-L484 HydrophobicContact CD1-CB 4.21Å; L457-L484 HydrophobicContact CD1-CD1 4.2Å; L457-L484 HydrophobicContact CD1-CD2 4.14Å; L457-L484 HydrophobicContact CD1-CG 4.42Å
458V91.5Very high86.8Confident62 Ų6278.2 Ų78.238%0.37639%0.392SS..Hα-helixtrans-70.5-45.3176.4174.70000111.3S454 K455 H456 H462 F472S454-V458 WeakPolarHBondContact O-CG2 3.01Å; S454-V458 PolarHBondContact O-N 3Å; S454-V458 VanDerWaalsContact O-N 3.12Å; K455-V458 PolarHBondContact O-N 2.87Å; H456-V458 VanDerWaalsContact C-N 3.35Å; H456-V458 PolarHBondContact O-N 3.07Å; V458-H462 VanDerWaalsContact O-CA 3.3Å; V458-H462 WeakPolarHBondContact O-CA 3.41Å; V458-H462 PolarHBondContact O-N 2.94Å; V458-F472 HydrophobicContact CG2-CE2 3.8Å; V458-F472 HydrophobicContact CG2-CZ 4.22Å
459R92.6Very high85.8Confident167 Ų16771.8 Ų71.863%0.6337%0.37SS*.Hα-helixtrans-78.5-47.1-171.8-174.3-169.864-173.8-1112.8K455 H456K455-R459 VanDerWaalsContact O-CB 3.26Å; K455-R459 WeakPolarHBondContact O-CB 3.2Å; K455-R459 PolarHBondContact O-N 3.28Å; H456-R459 PolarHBondContact O-N 2.98Å
460D93.1Very high85Confident70 Ų7068.1 Ų68.137%0.37437%0.365SS..Hα-helixtrans-97.9-20.3-168-55-27.6000112.4H456H456-D460 IonicContact CE1-OD2 3.47Å; H456-D460 PolarHBondContact CE1-OD2 3.18Å; H456-D460 IonicContact CG-OD2 3.69Å; H456-D460 IonicContact ND1-OD2 2.69Å; H456-D460 PolarHBondContact ND1-OD2 3.46Å; H456-D460 WeakPolarHBondContact O-CB 3.22Å; H456-D460 PolarHBondContact O-N 2.88Å
461H93.2Very high84.6Confident47 Ų4772.3 Ų72.322%0.21838%0.378CS..SBendtrans-122.15.9179-62.9-56.5000113.6C440 I442 C443 H456 L457 L463C440-H461 VanDerWaalsContact SG-CD2 3.55Å; C440-H461 PolarHBondContact SG-NE2 3.39Å; I442-H461 HydrophobicContact CD1-CB 3.76Å; I442-H461 WeakPolarHBondContact CG2-CE1 3.27Å; C443-H461 PolarHBondContact SG-NE2 2.82Å; H456-H461 AromaticContact CE1-CD2 3.92Å; H456-H461 AromaticContact CE1-NE2 3.61Å; H456-H461 AromaticContact NE2-CD2 3.47Å; H456-H461 PolarHBondContact NE2-CD2 2.92Å; H456-H461 AromaticContact NE2-NE2 3.27Å; H456-H461 PolarHBondContact NE2-NE2 3.01Å; L457-H461 CarbonylContact O-C 3.51Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-N 3.46Å; H461-L463 HydrophobicContact CB-CG 4.15Å; H461-L463 PolarHBondContact O-N 3.37Å
462H89.4Confident84.3Confident162 Ų16268.7 Ų68.775%0.7536%0.358SS*.  trans50.229.9178.5-55.6-58.2000114.5L457 V458 A464L457-H462 PolarHBondContact O-N 3.4Å; V458-H462 VanDerWaalsContact O-CA 3.3Å; V458-H462 WeakPolarHBondContact O-CA 3.41Å; V458-H462 PolarHBondContact O-N 2.94Å; H462-A464 PolarHBondContact O-N 3.19Å
463L87.8Confident83.8Confident51 Ų5168 Ų6827%0.26736%0.358SS..PPolyproline II helixtrans-75.2123.8179.6-67.6-177.8000110.4I442 L457 H461 F472 L484I442-L463 HydrophobicContact CD1-CD1 4.18Å; L457-L463 HydrophobicContact CB-CB 4.49Å; L457-L463 HydrophobicContact CB-CD1 4.15Å; L457-L463 HydrophobicContact CD2-CD1 3.89Å; L457-L463 HydrophobicContact CG-CD1 4.45Å; L457-L463 PolarHBondContact O-N 3.48Å; H461-L463 HydrophobicContact CB-CG 4.15Å; H461-L463 PolarHBondContact O-N 3.37Å; L463-F472 HydrophobicContact CB-CE1 4.49Å; L463-F472 HydrophobicContact CB-CZ 3.91Å; L463-L484 HydrophobicContact CD1-CD2 3.8Å
464A82.6Confident83.5Confident86 Ų8669.9 Ų69.971%0.71137%0.365SS*.PPolyproline II helixtrans-84.9150.316800000110.9H462H462-A464 PolarHBondContact O-N 3.19Å
465R79.5Confident82.9Confident120 Ų12070.6 Ų70.645%0.45337%0.369SS..PPolyproline II helixtrans-75.2144.3169.8-62.3171.1-168.7144.89.6108.3V470 F472R465-V470 PolarHBondContact NH1-O 3.41Å; R465-F472 HydrophobicContact CB-CE1 4.42Å; R465-F472 HydrophobicContact CG-CD1 4.06Å; R465-F472 HydrophobicContact CG-CE1 3.8Å; R465-F472 HydrophobicContact CG-CE2 4.39Å; R465-F472 HydrophobicContact CG-CG 4.45Å; R465-F472 HydrophobicContact CG-CZ 3.98Å
466P70.5Confident82.3Confident62 Ų6266 Ų6640%0.40335%0.351SS..PPolyproline II helixtrans-56.3147.1172-22.932.9000111.2G468 H469P466-G468 PolarHBondContact O-N 3.28Å; P466-H469 WeakPolarHBondContact O-CB 3.41Å; P466-H469 PolarHBondContact O-N 3.37Å; P466-H469 VanDerWaalsContact O-N 3.08Å
467S66.5Low81.6Confident88 Ų8866.7 Ų66.762%0.61536%0.357SS*.THydrogen-bonded Turntrans-50.8136.4-179.5-55.30000111.9H469S467-H469 VanDerWaalsContact C-N 3.29Å; S467-H469 PolarHBondContact O-N 3.26Å
468G64.6Low80.7Confident43 Ų4373.5 Ų73.544%0.44339%0.394SS..THydrogen-bonded Turntrans81.1-9.1-178.200000115.9P466P466-G468 PolarHBondContact O-N 3.28Å
469H69.8Low80.2Confident41 Ų4174 Ų7419%0.1939%0.394CS..  trans-95.3127.7-180-74-78.5000114P466 S467 R488P466-H469 WeakPolarHBondContact O-CB 3.41Å; P466-H469 PolarHBondContact O-N 3.37Å; P466-H469 VanDerWaalsContact O-N 3.08Å; S467-H469 VanDerWaalsContact C-N 3.29Å; S467-H469 PolarHBondContact O-N 3.26Å; H469-R488 PolarHBondContact CD2-NH1 2.94Å; H469-R488 PolarHBondContact CE1-NH1 3.29Å; H469-R488 PolarHBondContact CE1-NH2 2.96Å; H469-R488 PolarHBondContact NE2-NH1 3.28Å; H469-R488 PolarHBondContact NE2-NH2 3.41Å
470V71.9Confident79.6Confident84 Ų8467.6 Ų67.651%0.50938%0.379SS..SBendtrans-75.3-23.2177.1-1070000114.1R279 R465R279-V470 VanDerWaalsContact NH2-CG1 3.31Å; R279-V470 VanDerWaalsContact NH2-CG2 3.28Å; R465-V470 PolarHBondContact NH1-O 3.41Å
471R79.6Confident79.3Confident100 Ų10066.8 Ų66.838%0.37737%0.374SS..SBendtrans-149.3157.2-176.365.4179.6-177.2-173.3-1.5112.5D328D328-R471 IonicContact OD2-NH1 2.73Å
472F84.2Confident79.2Confident15 Ų1567.3 Ų67.37%0.06637%0.374CS..  trans-64.7149.2164.6-69-53.8000111.1L457 V458 L463 R465 Y474 L484L457-F472 HydrophobicContact CB-CE2 3.98Å; L457-F472 HydrophobicContact CD1-CD2 4.23Å; L457-F472 HydrophobicContact CD1-CE2 4.37Å; V458-F472 HydrophobicContact CG2-CE2 3.8Å; V458-F472 HydrophobicContact CG2-CZ 4.22Å; L463-F472 HydrophobicContact CB-CE1 4.49Å; L463-F472 HydrophobicContact CB-CZ 3.91Å; R465-F472 HydrophobicContact CB-CE1 4.42Å; R465-F472 HydrophobicContact CG-CD1 4.06Å; R465-F472 HydrophobicContact CG-CE1 3.8Å; R465-F472 HydrophobicContact CG-CE2 4.39Å; R465-F472 HydrophobicContact CG-CG 4.45Å; R465-F472 HydrophobicContact CG-CZ 3.98Å; F472-Y474 HydrophobicContact CB-CE2 4.06Å; F472-L484 HydrophobicContact CB-CD1 3.6Å; F472-L484 HydrophobicContact CD1-CD1 3.64Å; F472-L484 HydrophobicContact CE1-CD1 4.47Å; F472-L484 HydrophobicContact CG-CD1 3.7Å
473T81.3Confident79.1Confident55 Ų5562.4 Ų62.434%0.33735%0.349SS..  trans-108.1138.6174.1-53.80000108.5Q485T473-Q485 WeakPolarHBondContact O-CB 3.16Å; T473-Q485 PolarHBondContact O-N 3.43Å
474Y85.6Confident79Confident40 Ų4061 Ų6116%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-116142.2-177.1-62.1-78.2000110.5Y438 G450 L453 S454 L457 F472 R483 L484Y438-Y474 HydrophobicContact CD1-CD1 4.15Å; Y438-Y474 HydrophobicContact CD1-CD2 4.24Å; Y438-Y474 AromaticContact CD1-CG 3.98Å; Y438-Y474 HydrophobicContact CD1-CG 3.98Å; Y438-Y474 AromaticContact CE1-CD2 3.95Å; Y438-Y474 HydrophobicContact CE1-CD2 3.95Å; Y438-Y474 AromaticContact CE1-CG 3.9Å; Y438-Y474 HydrophobicContact CE1-CG 3.9Å; G450-Y474 PolarHBondContact O-OH 3.37Å; L453-Y474 HydrophobicContact CB-CE1 4.4Å; L453-Y474 HydrophobicContact CD2-CD1 3.95Å; L453-Y474 HydrophobicContact CD2-CE1 3.42Å; L453-Y474 VanDerWaalsContact CD2-CE1 3.42Å; L453-Y474 HydrophobicContact CG-CE1 3.93Å; S454-Y474 VanDerWaalsContact CA-OH 3.23Å; S454-Y474 WeakPolarHBondContact CA-OH 3.36Å; S454-Y474 WeakPolarHBondContact CB-OH 3.47Å; S454-Y474 PolarHBondContact N-OH 3.38Å; S454-Y474 VanDerWaalsContact N-OH 3.1Å; S454-Y474 PolarHBondContact OG-OH 3.15Å; L457-Y474 HydrophobicContact CD1-CE1 4.21Å; F472-Y474 HydrophobicContact CB-CE2 4.06Å; Y474-R483 CarbonylContact C-O 3.46Å; Y474-R483 VanDerWaalsContact CA-O 3.29Å; Y474-R483 WeakPolarHBondContact CA-O 3.37Å; Y474-L484 HydrophobicContact CE1-CB 4.41Å; Y474-L484 HydrophobicContact CE1-CD1 4.26Å
475T79.7Confident78.9Confident30 Ų3058.5 Ų58.518%0.18432%0.315CS..EExtended strand (participates in β ladder)trans-124.3147.7175.146.80000109.8R483 Q485T475-R483 PolarHBondContact N-O 3.12Å; T475-R483 PolarHBondContact O-N 2.98Å; T475-Q485 HydrophobicContact CG2-CB 3.94Å; T475-Q485 HydrophobicContact CG2-CG 3.88Å
476I80.3Confident78.7Confident56 Ų5658.4 Ų58.429%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-70132.2175.2-60.6172.7000108.8R237 H481 Y482R237-I476 WeakPolarHBondContact CD-O 3.44Å; R237-I476 PolarHBondContact NE-O 2.98Å; R237-I476 PolarHBondContact NH1-O 3.48Å; I476-H481 CarbonylContact C-O 3.58Å; I476-H481 WeakPolarHBondContact CA-O 3.4Å; I476-Y482 HydrophobicContact CD1-CE1 4.06Å; I476-Y482 HydrophobicContact CG1-CD1 3.78Å; I476-Y482 HydrophobicContact CG1-CE1 3.42Å; I476-Y482 VanDerWaalsContact CG1-CE1 3.42Å
477S78.4Confident78.4Confident21 Ų2158.3 Ų58.315%0.14732%0.321CS..  trans-93.5177177.1-59.60000111.4R237 D479 G480 H481 R483R237-S477 PolarHBondContact NH1-O 2.97Å; S477-D479 VanDerWaalsContact CB-OD1 3.22Å; S477-D479 WeakPolarHBondContact CB-OD1 3.32Å; S477-D479 PolarHBondContact O-N 3.07Å; S477-G480 PolarHBondContact O-N 3.05Å; S477-H481 PolarHBondContact N-O 3.3Å; S477-R483 VanDerWaalsContact OG-CB 3.32Å; S477-R483 WeakPolarHBondContact OG-CB 3.23Å; S477-R483 WeakPolarHBondContact OG-CD 3.49Å; S477-R483 WeakPolarHBondContact OG-CG 3.36Å
478D73.6Confident78.4Confident144 Ų14457 Ų5777%0.7730%0.303SS*.THydrogen-bonded Turntrans-69.3-24.1-172-61.6-35.2000113.4R237 G480R237-D478 IonicContact CZ-OD1 3.23Å; R237-D478 IonicContact NH1-OD1 3.8Å; R237-D478 PolarHBondContact NH1-OD1 2.85Å; R237-D478 IonicContact NH2-OD1 3Å; R237-D478 PolarHBondContact NH2-OD1 2.89Å; R237-D478 IonicContact NH2-OD2 2.82Å; D478-G480 PolarHBondContact O-N 3.25Å
479D79.7Confident78.6Confident73 Ų7355.2 Ų55.239%0.3928%0.283SS..THydrogen-bonded Turntrans-77.44.7169.859.35.8000114S477 H481 R483S477-D479 VanDerWaalsContact CB-OD1 3.22Å; S477-D479 WeakPolarHBondContact CB-OD1 3.32Å; S477-D479 PolarHBondContact O-N 3.07Å; D479-H481 VanDerWaalsContact C-N 3.28Å; D479-H481 PolarHBondContact O-N 2.75Å; D479-H481 PolarHBondContact O-ND1 3.46Å; D479-H481 PolarHBondContact OD1-N 3.28Å; D479-H481 IonicContact OD1-ND1 3.12Å; D479-R483 IonicContact OD2-CZ 3.45Å; D479-R483 IonicContact OD2-NE 3.39Å; D479-R483 PolarHBondContact OD2-NE 3.49Å; D479-R483 IonicContact OD2-NH2 2.69Å; D479-R483 PolarHBondContact OD2-NH2 3.26Å
480G80.2Confident78.6Confident31 Ų3155.9 Ų55.932%0.3229%0.288SS..SBendtrans80.2-1.5-179.900000115.7S477 D478S477-G480 PolarHBondContact O-N 3.05Å; D478-G480 PolarHBondContact O-N 3.25Å
481H87.9Confident78.8Confident54 Ų5454 Ų5425%0.2528%0.277CS..  trans-94.4151.1-176.7-67.584.2000112.6M439 I476 S477 D479M439-H481 HydrophobicContact CG-CB 3.83Å; M439-H481 HydrophobicContact SD-CB 3.58Å; M439-H481 VanDerWaalsContact SD-CB 3.58Å; I476-H481 CarbonylContact C-O 3.58Å; I476-H481 WeakPolarHBondContact CA-O 3.4Å; S477-H481 PolarHBondContact N-O 3.3Å; D479-H481 VanDerWaalsContact C-N 3.28Å; D479-H481 PolarHBondContact O-N 2.75Å; D479-H481 PolarHBondContact O-ND1 3.46Å; D479-H481 PolarHBondContact OD1-N 3.28Å; D479-H481 IonicContact OD1-ND1 3.12Å
482Y89.7Confident78.8Confident58 Ų5852 Ų5223%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-75.7126.6174.8-71.1-76.9000110.7R436 L437 Y438 M439 I476R436-Y482 HydrophobicContact CB-CD2 4.15Å; R436-Y482 HydrophobicContact CB-CE2 3.78Å; L437-Y482 PolarHBondContact O-N 3.48Å; Y438-Y482 CarbonylContact C-O 3.53Å; Y438-Y482 WeakPolarHBondContact CA-O 3.44Å; Y438-Y482 VanDerWaalsContact CD1-CB 3.41Å; Y438-Y482 HydrophobicContact CD1-CD2 4.43Å; Y438-Y482 HydrophobicContact CD1-CG 4.09Å; Y438-Y482 HydrophobicContact CD2-CD2 4.27Å; Y438-Y482 HydrophobicContact CE1-CD1 4.36Å; Y438-Y482 HydrophobicContact CE1-CD2 4.04Å; Y438-Y482 AromaticContact CE1-CG 3.75Å; Y438-Y482 HydrophobicContact CE1-CG 3.75Å; Y438-Y482 AromaticContact CE2-CD2 3.85Å; Y438-Y482 HydrophobicContact CE2-CD2 3.85Å; Y438-Y482 HydrophobicContact CE2-CE2 4.42Å; Y438-Y482 HydrophobicContact CE2-CG 4.4Å; Y438-Y482 AromaticContact CZ-CD2 3.72Å; Y438-Y482 AromaticContact CZ-CG 3.91Å; M439-Y482 PolarHBondContact N-O 3.17Å; I476-Y482 HydrophobicContact CD1-CE1 4.06Å; I476-Y482 HydrophobicContact CG1-CD1 3.78Å; I476-Y482 HydrophobicContact CG1-CE1 3.42Å; I476-Y482 VanDerWaalsContact CG1-CE1 3.42Å
483R89Confident78.5Confident59 Ų5961 Ų6122%0.22331%0.309CS..EExtended strand (participates in β ladder)trans-125.9161.7171.5-60.6-175.1-173.7-101.95.3110.3M439 C440 Y474 T475 S477 D479 Q485M439-R483 HydrophobicContact CB-CG 4.29Å; C440-R483 PolarHBondContact O-NH1 3.1Å; Y474-R483 CarbonylContact C-O 3.46Å; Y474-R483 VanDerWaalsContact CA-O 3.29Å; Y474-R483 WeakPolarHBondContact CA-O 3.37Å; T475-R483 PolarHBondContact N-O 3.12Å; T475-R483 PolarHBondContact O-N 2.98Å; S477-R483 VanDerWaalsContact OG-CB 3.32Å; S477-R483 WeakPolarHBondContact OG-CB 3.23Å; S477-R483 WeakPolarHBondContact OG-CD 3.49Å; S477-R483 WeakPolarHBondContact OG-CG 3.36Å; D479-R483 IonicContact OD2-CZ 3.45Å; D479-R483 IonicContact OD2-NE 3.39Å; D479-R483 PolarHBondContact OD2-NE 3.49Å; D479-R483 IonicContact OD2-NH2 2.69Å; D479-R483 PolarHBondContact OD2-NH2 3.26Å; R483-Q485 PolarHBondContact O-N 3.32Å
484L85.9Confident78.4Confident21 Ų2160.4 Ų60.411%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-57.8131.9177.9-178.466.6000109.9L457 L463 F472 Y474 L486L457-L484 HydrophobicContact CD1-CB 4.21Å; L457-L484 HydrophobicContact CD1-CD1 4.2Å; L457-L484 HydrophobicContact CD1-CD2 4.14Å; L457-L484 HydrophobicContact CD1-CG 4.42Å; L463-L484 HydrophobicContact CD1-CD2 3.8Å; F472-L484 HydrophobicContact CB-CD1 3.6Å; F472-L484 HydrophobicContact CD1-CD1 3.64Å; F472-L484 HydrophobicContact CE1-CD1 4.47Å; F472-L484 HydrophobicContact CG-CD1 3.7Å; Y474-L484 HydrophobicContact CE1-CB 4.41Å; Y474-L484 HydrophobicContact CE1-CD1 4.26Å; L484-L486 HydrophobicContact CB-CD2 4.41Å; L484-L486 HydrophobicContact CD2-CD2 3.92Å; L484-L486 HydrophobicContact CG-CD2 4.18Å; L484-L486 PolarHBondContact O-N 3.4Å; L484-L486 VanDerWaalsContact O-N 3.1Å
485Q80Confident78.2Confident33 Ų3358.5 Ų58.515%0.15430%0.298CS..  trans-72.7103.8173-173.4-179.8-9.300109.7T473 T475 R483 T487 R488T473-Q485 WeakPolarHBondContact O-CB 3.16Å; T473-Q485 PolarHBondContact O-N 3.43Å; T475-Q485 HydrophobicContact CG2-CB 3.94Å; T475-Q485 HydrophobicContact CG2-CG 3.88Å; R483-Q485 PolarHBondContact O-N 3.32Å; Q485-T487 PolarHBondContact NE2-O 2.99Å; Q485-R488 HydrophobicContact CG-CG 4.45Å
486L73.9Confident78.5Confident118 Ų11858 Ų5862%0.61830%0.297SS*.  trans-79.8-34.7-177-59.4177.5000113.4H441 L484H441-L486 WeakPolarHBondContact NE2-CD2 3.38Å; L484-L486 HydrophobicContact CB-CD2 4.41Å; L484-L486 HydrophobicContact CD2-CD2 3.92Å; L484-L486 HydrophobicContact CG-CD2 4.18Å; L484-L486 PolarHBondContact O-N 3.4Å; L484-L486 VanDerWaalsContact O-N 3.1Å
487T65.8Low78.6Confident60 Ų6063.1 Ų63.137%0.36832%0.32SS..  trans-105.7125.9-177.7-37.70000111.3Q485 L498Q485-T487 PolarHBondContact NE2-O 2.99Å; T487-L498 HydrophobicContact CG2-CD1 3.62Å
488R66.7Low78.8Confident62 Ų6265.8 Ų65.823%0.23433%0.332CS..  trans-131.2134.3176.5-58.1-176.569-159.6-12.3109.1H469 Q485 D490 V494H469-R488 PolarHBondContact CD2-NH1 2.94Å; H469-R488 PolarHBondContact CE1-NH1 3.29Å; H469-R488 PolarHBondContact CE1-NH2 2.96Å; H469-R488 PolarHBondContact NE2-NH1 3.28Å; H469-R488 PolarHBondContact NE2-NH2 3.41Å; Q485-R488 HydrophobicContact CG-CG 4.45Å; R488-D490 HydrophobicContact CB-CB 4.34Å; R488-D490 PolarHBondContact O-N 3.48Å; R488-D490 VanDerWaalsContact O-N 3.09Å; R488-V494 VanDerWaalsContact O-CG1 3.3Å; R488-V494 WeakPolarHBondContact O-CG1 3.34Å
489L67Low79.2Confident5 Ų561.3 Ų61.33%0.02631%0.308CS..  trans-84.654.2170.3-58.5167.9000107.8R235 H253 I254 T491 A495 L498 L499R235-L489 HydrophobicContact CG-CD1 4.38Å; H253-L489 CarbonylContact C-O 3.4Å; H253-L489 HydrophobicContact CB-CB 4.29Å; H253-L489 HydrophobicContact CB-CD1 3.95Å; H253-L489 CarbonylContact O-C 3.6Å; I254-L489 VanDerWaalsContact CA-O 3.27Å; I254-L489 WeakPolarHBondContact CA-O 3.49Å; I254-L489 HydrophobicContact CG1-CB 4.13Å; I254-L489 HydrophobicContact CG1-CD1 4.46Å; L489-T491 PolarHBondContact O-N 2.94Å; L489-T491 VanDerWaalsContact O-N 3.15Å; L489-A495 HydrophobicContact CB-CB 4.12Å; L489-A495 HydrophobicContact CD2-CB 4.07Å; L489-L498 HydrophobicContact CD2-CB 3.9Å; L489-L498 HydrophobicContact CD2-CD1 3.77Å; L489-L498 HydrophobicContact CD2-CG 4.45Å; L489-L499 HydrophobicContact CD1-CD1 3.8Å; L489-L499 HydrophobicContact CD1-CG 4.44Å; L489-L499 HydrophobicContact CD2-CD1 4.24Å; L489-L499 HydrophobicContact CD2-CG 4.13Å
490D69.7Low79.4Confident55 Ų5559.3 Ų59.329%0.29430%0.304SS..  trans-65-18.2-168.561.9-5.5000115.1N255 T265 R488 V494N255-D490 VanDerWaalsContact CB-O 3.25Å; N255-D490 WeakPolarHBondContact CB-O 3.24Å; T265-D490 PolarHBondContact OG1-O 2.85Å; R488-D490 HydrophobicContact CB-CB 4.34Å; R488-D490 PolarHBondContact O-N 3.48Å; R488-D490 VanDerWaalsContact O-N 3.09Å; D490-V494 VanDerWaalsContact OD1-CB 3.25Å; D490-V494 WeakPolarHBondContact OD1-CB 3.12Å; D490-V494 WeakPolarHBondContact OD1-CG2 3.28Å
491T76.7Confident79.7Confident44 Ų4465 Ų6527%0.2732%0.322SS..SBendtrans-144158.9-178.858.50000109.4L489 R493 V494 A495L489-T491 PolarHBondContact O-N 2.94Å; L489-T491 VanDerWaalsContact O-N 3.15Å; T491-R493 PolarHBondContact O-N 3.16Å; T491-V494 PolarHBondContact O-N 3.3Å; T491-V494 WeakPolarHBondContact OG1-CB 3.41Å; T491-V494 VanDerWaalsContact OG1-CG2 3.31Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.19Å; T491-V494 PolarHBondContact OG1-N 3.03Å; T491-V494 VanDerWaalsContact OG1-N 3.14Å; T491-A495 VanDerWaalsContact O-CB 3.31Å; T491-A495 WeakPolarHBondContact O-CB 3.32Å; T491-A495 PolarHBondContact O-N 3.01Å
492V79.6Confident79.7Confident58 Ų5867.2 Ų67.235%0.35234%0.34SS..Hα-helixtrans-55.5-37.9172.2-179.70000111.2I254 T256 A495 A496 V504 L508I254-V492 HydrophobicContact CG2-CG2 4.09Å; T256-V492 HydrophobicContact CG2-CG2 4.04Å; V492-A495 PolarHBondContact O-N 3.45Å; V492-A496 WeakPolarHBondContact O-CB 3.24Å; V492-A496 PolarHBondContact O-N 3.45Å; V492-V504 HydrophobicContact CG1-CG1 3.94Å; V492-L508 HydrophobicContact CG1-CD1 3.85Å; V492-L508 HydrophobicContact CG2-CD1 3.9Å
493R78.5Confident79.4Confident203 Ų20367.2 Ų67.277%0.76635%0.346SS*.Hα-helixtrans-63.6-51.9178.8-174179.4-179.7-179.31112.1T491 A495 A496 Q497T491-R493 PolarHBondContact O-N 3.16Å; R493-A495 VanDerWaalsContact C-N 3.28Å; R493-A495 PolarHBondContact O-N 3.16Å; R493-A496 PolarHBondContact O-N 3.11Å; R493-Q497 PolarHBondContact O-N 3.08Å
494V78.9Confident79.2Confident43 Ų4364.6 Ų64.626%0.26134%0.336SS..Hα-helixtrans-64.3-37.6177.51730000110.5R488 D490 T491 A496 Q497 L498R488-V494 VanDerWaalsContact O-CG1 3.3Å; R488-V494 WeakPolarHBondContact O-CG1 3.34Å; D490-V494 VanDerWaalsContact OD1-CB 3.25Å; D490-V494 WeakPolarHBondContact OD1-CB 3.12Å; D490-V494 WeakPolarHBondContact OD1-CG2 3.28Å; T491-V494 PolarHBondContact O-N 3.3Å; T491-V494 WeakPolarHBondContact OG1-CB 3.41Å; T491-V494 VanDerWaalsContact OG1-CG2 3.31Å; T491-V494 WeakPolarHBondContact OG1-CG2 3.19Å; T491-V494 PolarHBondContact OG1-N 3.03Å; T491-V494 VanDerWaalsContact OG1-N 3.14Å; V494-A496 PolarHBondContact O-N 3.16Å; V494-Q497 PolarHBondContact O-N 3.4Å; V494-L498 HydrophobicContact CG1-CD1 3.82Å; V494-L498 HydrophobicContact CG1-CG 4.4Å; V494-L498 WeakPolarHBondContact O-CB 3.33Å; V494-L498 WeakPolarHBondContact O-CG 3.31Å; V494-L498 PolarHBondContact O-N 3.34Å
495A81.9Confident79.1Confident0 Ų066.8 Ų66.80%035%0.353CS..Hα-helixtrans-62.3-43174.900000112.5I254 L489 T491 V492 R493 L498 L499 V504I254-A495 HydrophobicContact CD1-CB 3.79Å; I254-A495 HydrophobicContact CG1-CB 3.84Å; I254-A495 HydrophobicContact CG2-CB 4.11Å; L489-A495 HydrophobicContact CB-CB 4.12Å; L489-A495 HydrophobicContact CD2-CB 4.07Å; T491-A495 VanDerWaalsContact O-CB 3.31Å; T491-A495 WeakPolarHBondContact O-CB 3.32Å; T491-A495 PolarHBondContact O-N 3.01Å; V492-A495 PolarHBondContact O-N 3.45Å; R493-A495 VanDerWaalsContact C-N 3.28Å; R493-A495 PolarHBondContact O-N 3.16Å; A495-L498 PolarHBondContact O-N 2.79Å; A495-L499 VanDerWaalsContact O-CB 3.31Å; A495-L499 WeakPolarHBondContact O-CB 3.48Å; A495-L499 PolarHBondContact O-N 2.85Å; A495-V504 VanDerWaalsContact C-CG2 3.47Å; A495-V504 HydrophobicContact CB-CG2 3.81Å; A495-V504 WeakPolarHBondContact O-CG2 3.33Å
496A84.8Confident79.1Confident21 Ų2172.9 Ų72.917%0.17438%0.379CS..Hα-helixtrans-65.8-40.1179.500000111.3V492 R493 V494 L498 G500 E501 V504V492-A496 WeakPolarHBondContact O-CB 3.24Å; V492-A496 PolarHBondContact O-N 3.45Å; R493-A496 PolarHBondContact O-N 3.11Å; V494-A496 PolarHBondContact O-N 3.16Å; A496-L498 VanDerWaalsContact C-N 3.33Å; A496-L498 PolarHBondContact O-N 3.09Å; A496-G500 CarbonylContact O-C 3.46Å; A496-G500 WeakPolarHBondContact O-CA 3.49Å; A496-G500 PolarHBondContact O-N 3.19Å; A496-E501 HydrophobicContact CB-CG 4.15Å; A496-V504 HydrophobicContact CB-CG2 4.4Å
497Q83.1Confident79.4Confident162 Ų16267.5 Ų67.576%0.75735%0.351SS*.Hα-helixtrans-65.8-34.7176.4-169.6174.34.500112.7R493 V494R493-Q497 PolarHBondContact O-N 3.08Å; V494-Q497 PolarHBondContact O-N 3.4Å
498L81.5Confident80Confident78 Ų7866.7 Ų66.741%0.40834%0.344SS..Hα-helixtrans-91.4-27-176.6-68.4178.3000114.8T487 L489 V494 A495 A496T487-L498 HydrophobicContact CG2-CD1 3.62Å; L489-L498 HydrophobicContact CD2-CB 3.9Å; L489-L498 HydrophobicContact CD2-CD1 3.77Å; L489-L498 HydrophobicContact CD2-CG 4.45Å; V494-L498 HydrophobicContact CG1-CD1 3.82Å; V494-L498 HydrophobicContact CG1-CG 4.4Å; V494-L498 WeakPolarHBondContact O-CB 3.33Å; V494-L498 WeakPolarHBondContact O-CG 3.31Å; V494-L498 PolarHBondContact O-N 3.34Å; A495-L498 PolarHBondContact O-N 2.79Å; A496-L498 VanDerWaalsContact C-N 3.33Å; A496-L498 PolarHBondContact O-N 3.09Å
499L83.3Confident80.1Confident50 Ų5067.8 Ų67.826%0.26236%0.358SS..Hα-helixtrans-114.6-12.7-176.4-58.7179000113.4L489 A495 V503 V504 L507L489-L499 HydrophobicContact CD1-CD1 3.8Å; L489-L499 HydrophobicContact CD1-CG 4.44Å; L489-L499 HydrophobicContact CD2-CD1 4.24Å; L489-L499 HydrophobicContact CD2-CG 4.13Å; A495-L499 VanDerWaalsContact O-CB 3.31Å; A495-L499 WeakPolarHBondContact O-CB 3.48Å; A495-L499 PolarHBondContact O-N 2.85Å; L499-V503 HydrophobicContact CB-CB 4.28Å; L499-V503 HydrophobicContact CB-CG1 4.18Å; L499-V503 WeakPolarHBondContact O-CB 3.22Å; L499-V503 VanDerWaalsContact O-CG2 3.28Å; L499-V503 WeakPolarHBondContact O-CG2 3.15Å; L499-V504 HydrophobicContact CB-CG2 4.2Å; L499-V504 HydrophobicContact CD1-CG2 4.44Å; L499-L507 HydrophobicContact CD1-CD1 4.19Å
500G84.3Confident79.4Confident30 Ų3073.1 Ų73.131%0.30938%0.382SS..  trans85.7144.8-168.500000112.8A496 T502 V503 V504A496-G500 CarbonylContact O-C 3.46Å; A496-G500 WeakPolarHBondContact O-CA 3.49Å; A496-G500 PolarHBondContact O-N 3.19Å; G500-T502 VanDerWaalsContact C-N 3.29Å; G500-T502 PolarHBondContact O-N 3.04Å; G500-V503 PolarHBondContact O-N 3.33Å; G500-V504 PolarHBondContact O-N 3.39Å
501E86.2Confident78.3Confident150 Ų15073.4 Ų73.470%0.70139%0.386SS*.Hα-helixtrans-59.8-37-178.5-66.6-176.3173.500113.3A496 V503 V504 S505A496-E501 HydrophobicContact CB-CG 4.15Å; E501-V503 PolarHBondContact O-N 3.08Å; E501-V504 PolarHBondContact O-N 3.37Å; E501-S505 VanDerWaalsContact O-CB 3.24Å; E501-S505 WeakPolarHBondContact O-CB 3.35Å; E501-S505 PolarHBondContact O-N 3.02Å; E501-S505 PolarHBondContact O-OG 3.14Å
502T86.5Confident76.6Confident101 Ų10180.2 Ų80.262%0.6241%0.407SS*.Hα-helixtrans-65.5-38.9-179.252.70000112.1G500 K506G500-T502 VanDerWaalsContact C-N 3.29Å; G500-T502 PolarHBondContact O-N 3.04Å; T502-K506 WeakPolarHBondContact O-CG 3.43Å; T502-K506 PolarHBondContact O-N 2.94Å; T502-K506 VanDerWaalsContact O-N 3.11Å
503V84.5Confident74.5Confident58 Ų5884.8 Ų84.835%0.35243%0.43SS..Hα-helixtrans-69.6-46.8177.6177.90000110.1L499 G500 E501 S505 K506 L507L499-V503 HydrophobicContact CB-CB 4.28Å; L499-V503 HydrophobicContact CB-CG1 4.18Å; L499-V503 WeakPolarHBondContact O-CB 3.22Å; L499-V503 VanDerWaalsContact O-CG2 3.28Å; L499-V503 WeakPolarHBondContact O-CG2 3.15Å; G500-V503 PolarHBondContact O-N 3.33Å; E501-V503 PolarHBondContact O-N 3.08Å; V503-S505 PolarHBondContact O-N 3.44Å; V503-K506 PolarHBondContact O-N 3.14Å; V503-L507 HydrophobicContact CG1-CD1 4.14Å; V503-L507 HydrophobicContact CG1-CG 4.5Å; V503-L507 WeakPolarHBondContact O-CG 3.27Å; V503-L507 PolarHBondContact O-N 3.18Å
504V83.6Confident72.3Confident4 Ų483.1 Ų83.12%0.02443%0.431CS..Hα-helixtrans-63.1-43.5178.6175.80000111.4I254 V492 A495 A496 L499 G500 E501 K506 L507 L508I254-V504 HydrophobicContact CD1-CG1 4.45Å; V492-V504 HydrophobicContact CG1-CG1 3.94Å; A495-V504 VanDerWaalsContact C-CG2 3.47Å; A495-V504 HydrophobicContact CB-CG2 3.81Å; A495-V504 WeakPolarHBondContact O-CG2 3.33Å; A496-V504 HydrophobicContact CB-CG2 4.4Å; L499-V504 HydrophobicContact CB-CG2 4.2Å; L499-V504 HydrophobicContact CD1-CG2 4.44Å; G500-V504 PolarHBondContact O-N 3.39Å; E501-V504 PolarHBondContact O-N 3.37Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 3.14Å; V504-L507 WeakPolarHBondContact O-CB 3.25Å; V504-L507 PolarHBondContact O-N 3.47Å; V504-L507 VanDerWaalsContact O-N 3.09Å; V504-L508 HydrophobicContact CG1-CD1 3.68Å; V504-L508 HydrophobicContact CG1-CG 4.13Å; V504-L508 WeakPolarHBondContact O-CB 3.33Å; V504-L508 VanDerWaalsContact O-CG 3.32Å; V504-L508 WeakPolarHBondContact O-CG 3.22Å; V504-L508 PolarHBondContact O-N 3.13Å
505S84.1Confident70Confident67 Ų6787.5 Ų87.547%0.46945%0.448SS..Hα-helixtrans-56.9-46.1174-71.70000111.5E501 V503 L507 L508 V509E501-S505 VanDerWaalsContact O-CB 3.24Å; E501-S505 WeakPolarHBondContact O-CB 3.35Å; E501-S505 PolarHBondContact O-N 3.02Å; E501-S505 PolarHBondContact O-OG 3.14Å; V503-S505 PolarHBondContact O-N 3.44Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 PolarHBondContact O-N 3.48Å; S505-L508 PolarHBondContact O-N 2.98Å; S505-L508 VanDerWaalsContact O-N 3.16Å; S505-V509 WeakPolarHBondContact O-CB 3.48Å; S505-V509 WeakPolarHBondContact O-CG2 3.49Å; S505-V509 PolarHBondContact O-N 3.06Å
506K81.5Confident67.6Low162 Ų16293.8 Ų93.870%0.70448%0.481SS*.Hα-helixtrans-61.7-38.8175.1-73.7172.1-177.3174.10112.6T502 V503 V504 L508T502-K506 WeakPolarHBondContact O-CG 3.43Å; T502-K506 PolarHBondContact O-N 2.94Å; T502-K506 VanDerWaalsContact O-N 3.11Å; V503-K506 PolarHBondContact O-N 3.14Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 3.14Å; K506-L508 VanDerWaalsContact C-N 3.32Å; K506-L508 PolarHBondContact O-N 3.05Å
507L80Confident65Low5 Ų598.1 Ų98.13%0.02651%0.507CS..Hα-helixtrans-65-35.5175.9-70171.9000111.9M247 M250 K251 I254 L499 V503 V504 S505M247-L507 HydrophobicContact CB-CD2 4.08Å; M247-L507 WeakPolarHBondContact O-CD2 3.35Å; M247-L507 HydrophobicContact SD-CD2 3.97Å; M250-L507 HydrophobicContact CB-CD1 4.27Å; M250-L507 HydrophobicContact CB-CD2 4.03Å; K251-L507 VanDerWaalsContact CD-O 3.23Å; K251-L507 WeakPolarHBondContact CD-O 3.44Å; K251-L507 WeakPolarHBondContact CE-O 3.38Å; K251-L507 HydrophobicContact CG-CB 4.47Å; K251-L507 PolarHBondContact NZ-O 3.43Å; I254-L507 HydrophobicContact CD1-CD1 3.9Å; L499-L507 HydrophobicContact CD1-CD1 4.19Å; V503-L507 HydrophobicContact CG1-CD1 4.14Å; V503-L507 HydrophobicContact CG1-CG 4.5Å; V503-L507 WeakPolarHBondContact O-CG 3.27Å; V503-L507 PolarHBondContact O-N 3.18Å; V504-L507 WeakPolarHBondContact O-CB 3.25Å; V504-L507 PolarHBondContact O-N 3.47Å; V504-L507 VanDerWaalsContact O-N 3.09Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 PolarHBondContact O-N 3.48Å
508L78.7Confident62.3Low42 Ų4297.4 Ų97.422%0.2251%0.507CS..Hα-helixtrans-93.8-27.1-174.3-61.9-178.2000114.7T256 V492 V504 S505 K506 E510 T511T256-L508 HydrophobicContact CG2-CD2 3.61Å; V492-L508 HydrophobicContact CG1-CD1 3.85Å; V492-L508 HydrophobicContact CG2-CD1 3.9Å; V504-L508 HydrophobicContact CG1-CD1 3.68Å; V504-L508 HydrophobicContact CG1-CG 4.13Å; V504-L508 WeakPolarHBondContact O-CB 3.33Å; V504-L508 VanDerWaalsContact O-CG 3.32Å; V504-L508 WeakPolarHBondContact O-CG 3.22Å; V504-L508 PolarHBondContact O-N 3.13Å; S505-L508 PolarHBondContact O-N 2.98Å; S505-L508 VanDerWaalsContact O-N 3.16Å; K506-L508 VanDerWaalsContact C-N 3.32Å; K506-L508 PolarHBondContact O-N 3.05Å; L508-E510 PolarHBondContact O-N 3.4Å; L508-T511 VanDerWaalsContact O-CB 3.27Å; L508-T511 WeakPolarHBondContact O-CB 3.49Å; L508-T511 PolarHBondContact O-N 2.81Å; L508-T511 VanDerWaalsContact O-N 3.1Å; L508-T511 PolarHBondContact O-OG1 3.34Å
509V68.1Low59.9Low85 Ų8598.1 Ų98.152%0.51552%0.518SS..Hα-helixtrans-64.1-36.3-176.6163.10000112.8S505 T511 R512S505-V509 WeakPolarHBondContact O-CB 3.48Å; S505-V509 WeakPolarHBondContact O-CG2 3.49Å; S505-V509 PolarHBondContact O-N 3.06Å; V509-T511 PolarHBondContact O-N 3.26Å; V509-R512 PolarHBondContact O-N 3.2Å; V509-R512 VanDerWaalsContact O-N 3.08Å
510E53Low57.3Low117 Ų117108.4 Ų108.455%0.54757%0.565SS.*Hα-helixtrans-60.7-15.9175.8-77.1-177.8168.400113.4K251 L508K251-E510 IonicContact NZ-OE2 2.87Å; K251-E510 PolarHBondContact NZ-OE2 3.1Å; L508-E510 PolarHBondContact O-N 3.4Å
511T45.8Very low56Low62 Ų62112.4 Ų112.438%0.3858%0.577SS.*Hα-helixtrans-79.8-29.5177.3-19.90000112.6L508 V509 N513 Q514L508-T511 VanDerWaalsContact O-CB 3.27Å; L508-T511 WeakPolarHBondContact O-CB 3.49Å; L508-T511 PolarHBondContact O-N 2.81Å; L508-T511 VanDerWaalsContact O-N 3.1Å; L508-T511 PolarHBondContact O-OG1 3.34Å; V509-T511 PolarHBondContact O-N 3.26Å; T511-N513 VanDerWaalsContact C-N 3.28Å; T511-N513 PolarHBondContact O-N 2.65Å; T511-Q514 PolarHBondContact O-N 3.04Å; T511-Q514 VanDerWaalsContact O-N 3.12Å
512R40.4Very low54.4Low186 Ų186110.4 Ų110.470%0.70257%0.571SS**Hα-helixtrans-67.5-28.6-179.1-73.7-173-178175.10.6112.5V509 Q514 Q515V509-R512 PolarHBondContact O-N 3.2Å; V509-R512 VanDerWaalsContact O-N 3.08Å; R512-Q514 PolarHBondContact O-N 3Å; R512-Q515 PolarHBondContact O-N 3.39Å
513N35.3Very low52.6Low155 Ų155110.9 Ų110.983%0.82957%0.568SS**THydrogen-bonded Turntrans-75.3-5.7175-74.8-16.7000114.1T511T511-N513 VanDerWaalsContact C-N 3.28Å; T511-N513 PolarHBondContact O-N 2.65Å
514Q32.2Very low50.7Low168 Ų168114 Ų11479%0.78558%0.581SS**THydrogen-bonded Turntrans-103.2-0.8171.5-68.6-175.4-14.200112.8T511 R512 L516T511-Q514 PolarHBondContact O-N 3.04Å; T511-Q514 VanDerWaalsContact O-N 3.12Å; R512-Q514 PolarHBondContact O-N 3Å; Q514-L516 PolarHBondContact O-N 3.24Å
515Q30.8Very low48.7Very low135 Ų135120.9 Ų120.963%0.63162%0.616SS**  trans-81.595170.9-67.8177.1-26.800107.7R512 P517R512-Q515 PolarHBondContact O-N 3.39Å; Q515-P517 WeakPolarHBondContact O-CD 3.41Å
516L32.4Very low46.3Very low132 Ų132124.5 Ų124.569%0.69163%0.626SS**  trans-53.9124.5157.3-77.6160.5000106.8Y166 Q514 I518Y166-L516 HydrophobicContact CD2-CD2 4.17Å; Y166-L516 HydrophobicContact CE2-CD2 4.45Å; Q514-L516 PolarHBondContact O-N 3.24Å; L516-I518 PolarHBondContact O-N 2.93Å; L516-I518 VanDerWaalsContact O-N 3.08Å
517P30.3Very low43.8Very low111 Ų111121.8 Ų121.872%0.72162%0.62SS**  trans-61.8116.3174.1-1527.5000107.8Q515 C519Q515-P517 WeakPolarHBondContact O-CD 3.41Å; P517-C519 PolarHBondContact O-N 3.24Å; P517-C519 VanDerWaalsContact O-N 3.08Å
518I26.8Very low41Very low147 Ų147130.8 Ų130.875%0.75467%0.666SS**  trans-65106.6159.2-59.2171.2000103.4L516 E520L516-I518 PolarHBondContact O-N 2.93Å; L516-I518 VanDerWaalsContact O-N 3.08Å; I518-E520 PolarHBondContact O-N 2.85Å
519C29.9Very low37.9Very low94 Ų94138.2 Ų138.264%0.63570%0.703SS**  trans-66.5127.3168.6-65.80000106.6P517P517-C519 PolarHBondContact O-N 3.24Å; P517-C519 VanDerWaalsContact O-N 3.08Å
520E29.4Very low35.1Very low266 Ų266143 Ų143100%1.24372%0.72SS**  trans-58.80164.1-71.5179.3156.200111.1I518I518-E520 PolarHBondContact O-N 2.85Å

Retrieved 520 of 520 residues in 122.3 ms (Link to these results)

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