A0A3Q0KG84_SCHMA Loading...

Snf5, putative

AlphaFold DB , UniProt , Accession A0A3Q0KG84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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
1M35.1Very low62.8Low220 Ų220106.7 Ų106.7100%1.08453%0.531SS*.  0930-65.1-179.5-145.700107.2T3M1-T3 HydrophobicContact CB-CG2 4.49Å; M1-T3 PolarHBondContact O-N 3.05Å
2E38.8Very low65.1Low168 Ų168107.2 Ų107.279%0.78553%0.534SS*.  trans-70.689.1158.8-88.4-176.9159.500105.5V4E2-V4 PolarHBondContact O-N 3.21Å
3T43.1Very low67.3Low78 Ų78106.5 Ų106.548%0.47953%0.528SS..  trans-56121.9171.342.30000107M1 F5M1-T3 HydrophobicContact CB-CG2 4.49Å; M1-T3 PolarHBondContact O-N 3.05Å; T3-F5 VanDerWaalsContact C-N 3.34Å; T3-F5 WeakPolarHBondContact O-CD2 3.45Å; T3-F5 WeakPolarHBondContact O-CG 3.46Å; T3-F5 PolarHBondContact O-N 2.98Å; T3-F5 WeakPolarHBondContact OG1-CZ 3.48Å
4V53.7Low69.2Low53 Ų5399.6 Ų99.632%0.32149%0.494SS..  trans-52.5102.9171.7-178.30000107.1E2 R6 A93E2-V4 PolarHBondContact O-N 3.21Å; V4-R6 VanDerWaalsContact C-N 3.35Å; V4-R6 PolarHBondContact O-N 2.91Å; V4-A93 HydrophobicContact CG2-CB 3.17Å
5F59.5Low70.8Confident145 Ų14596.7 Ų96.764%0.63648%0.479SS*.  trans-73.893.3-171.3-78.5-76.7000108.9T3 R34T3-F5 VanDerWaalsContact C-N 3.34Å; T3-F5 WeakPolarHBondContact O-CD2 3.45Å; T3-F5 WeakPolarHBondContact O-CG 3.46Å; T3-F5 PolarHBondContact O-N 2.98Å; T3-F5 WeakPolarHBondContact OG1-CZ 3.48Å; F5-R34 WeakPolarHBondContact O-CD 3.14Å; F5-R34 PolarHBondContact O-NE 3.19Å
6R73.6Confident72Confident41 Ų4191.5 Ų91.516%0.15545%0.453CS..  trans-71.5158.8168.2-52.6-60.3-176.1177.7-0.6109.5V4 Y32 R34 I86 D90V4-R6 VanDerWaalsContact C-N 3.35Å; V4-R6 PolarHBondContact O-N 2.91Å; R6-Y32 WeakPolarHBondContact CA-O 3.3Å; R6-Y32 HydrophobicContact CB-CD2 3.94Å; R6-Y32 HydrophobicContact CB-CE2 3.62Å; R6-Y32 HydrophobicContact CG-CD2 4.36Å; R6-Y32 HydrophobicContact CG-CE1 4.25Å; R6-Y32 HydrophobicContact CG-CE2 3.69Å; R6-R34 PolarHBondContact O-NH2 3.33Å; R6-R34 VanDerWaalsContact O-NH2 3.1Å; R6-I86 PolarHBondContact NH2-O 3.06Å; R6-D90 IonicContact CZ-OD1 2.67Å; R6-D90 IonicContact NH2-OD1 3.75Å; R6-D90 PolarHBondContact NH2-OD1 3.2Å; R6-D90 IonicContact NH2-OD2 2.67Å
7Y62Low73Confident117 Ų11792.4 Ų92.446%0.45946%0.456SS..  trans-121.9114.2172.7-175.6-101000110.1R31 Y32Y7-R31 HydrophobicContact CD1-CG 3.72Å; Y7-R31 HydrophobicContact CE1-CG 4.24Å; Y7-Y32 PolarHBondContact N-O 2.81Å; Y7-Y32 WeakPolarHBondContact O-CA 3.32Å
8G69.8Low73.6Confident52 Ų5293.2 Ų93.254%0.53647%0.472SS..SBendtrans80.5-172.3-17300000113.4
9E79.3Confident74.1Confident176 Ų17696.7 Ų96.782%0.82249%0.492SS*.SBendtrans-74.3160.1178.9-62.7-176.7172.100111.5Y32E9-Y32 VanDerWaalsContact O-CD2 3.26Å; E9-Y32 WeakPolarHBondContact O-CD2 3.39Å
10K86.6Confident74.8Confident114 Ų11493.2 Ų93.250%0.49648%0.481SS..PPolyproline II helixtrans-57.8135.7173.3-173.9-179.8174.8-176.10108.9Y32K10-Y32 VanDerWaalsContact CA-CE2 3.49Å; K10-Y32 HydrophobicContact CB-CE2 4.04Å; K10-Y32 HydrophobicContact CG-CE1 4.44Å
11P89.6Confident75.7Confident10 Ų1093.1 Ų93.17%0.06548%0.478CS..PPolyproline II helixtrans-54.5146.4177.6-26.335.4000110.9Y24 E28 V29 Y32P11-Y24 HydrophobicContact CB-CD1 3.64Å; P11-Y24 HydrophobicContact CB-CE1 3.87Å; P11-Y24 HydrophobicContact CB-CG 4.35Å; P11-Y24 WeakPolarHBondContact O-CE1 3.47Å; P11-E28 HydrophobicContact CB-CB 3.96Å; P11-E28 HydrophobicContact CG-CB 4.33Å; P11-V29 HydrophobicContact CB-CG2 4.28Å; P11-V29 HydrophobicContact CG-CG2 4.14Å; P11-Y32 HydrophobicContact CG-CD1 4.23Å; P11-Y32 HydrophobicContact CG-CG 3.99Å
12I90Very high78.5Confident112 Ų11287.8 Ų87.857%0.57445%0.447SS*.PPolyproline II helixtrans-85.3123.6178.8-58.7172.9000108.4Y24 L65I12-Y24 WeakPolarHBondContact O-CD1 3.37Å; I12-L65 HydrophobicContact CB-CD2 4.4Å; I12-L65 HydrophobicContact CG2-CD2 4.24Å
13E93.7Very high81.3Confident98 Ų9880.6 Ų80.646%0.45841%0.413SS..PPolyproline II helixtrans-81.8143.1171.555.7-175.6-164.300110.6Y22 Y24 T79E13-Y22 HydrophobicContact CB-CD1 4.48Å; E13-Y24 HydrophobicContact CB-CD1 4.1Å; E13-Y24 HydrophobicContact CB-CE1 3.54Å; E13-Y24 HydrophobicContact CG-CE1 4.48Å; E13-Y24 VanDerWaalsContact N-CE1 3.32Å; E13-T79 HydrophobicContact CB-CG2 3.69Å
14F94Very high83.9Confident10 Ų1077 Ų774%0.04439%0.391CS..EExtended strand (participates in β ladder)trans-149.1157.8-177.860.7-88000111.7L16 Y22 F23 L25 L60 M63 L65 L76F14-L16 HydrophobicContact CD2-CD2 4.38Å; F14-L16 HydrophobicContact CD2-CG 4.33Å; F14-L16 HydrophobicContact CE2-CD1 4.44Å; F14-L16 HydrophobicContact CE2-CD2 4.13Å; F14-L16 HydrophobicContact CE2-CG 4.12Å; F14-Y22 WeakPolarHBondContact O-CA 3.32Å; F14-F23 WeakPolarHBondContact CD1-O 3.19Å; F14-F23 WeakPolarHBondContact CE1-O 3.43Å; F14-F23 HydrophobicContact CE2-CB 4.16Å; F14-F23 HydrophobicContact CZ-CB 4.16Å; F14-F23 PolarHBondContact N-O 2.86Å; F14-F23 PolarHBondContact O-N 3.07Å; F14-L25 HydrophobicContact CE1-CG 3.94Å; F14-L25 HydrophobicContact CZ-CD2 4.21Å; F14-L25 HydrophobicContact CZ-CG 4.02Å; F14-L60 HydrophobicContact CD2-CD2 4.17Å; F14-L60 HydrophobicContact CE1-CD2 4.46Å; F14-L60 HydrophobicContact CE2-CD2 3.45Å; F14-L60 VanDerWaalsContact CE2-CD2 3.45Å; F14-L60 HydrophobicContact CZ-CD2 3.62Å; F14-M63 HydrophobicContact CB-CE 3.85Å; F14-L65 HydrophobicContact CB-CD1 3.72Å; F14-L65 HydrophobicContact CD1-CD1 3.48Å; F14-L65 VanDerWaalsContact CD1-CD1 3.48Å; F14-L65 HydrophobicContact CD2-CD1 3.85Å; F14-L65 HydrophobicContact CE1-CD1 4.01Å; F14-L65 HydrophobicContact CE2-CD1 4.35Å; F14-L65 HydrophobicContact CG-CD1 3.39Å; F14-L65 HydrophobicContact CZ-CD1 4.41Å; F14-L76 HydrophobicContact CE2-CD2 4.01Å; F14-L76 HydrophobicContact CZ-CD2 3.7Å
15Q93.7Very high85.8Confident57 Ų5774.9 Ų74.927%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-109.3146.9170.4-73.2175.9-41.100110.1G20 Y22Q15-G20 PolarHBondContact NE2-O 3.41Å; Q15-Y22 HydrophobicContact CG-CD1 3.57Å; Q15-Y22 HydrophobicContact CG-CD2 3.74Å; Q15-Y22 HydrophobicContact CG-CE1 3.57Å; Q15-Y22 HydrophobicContact CG-CE2 3.75Å; Q15-Y22 HydrophobicContact CG-CG 3.64Å; Q15-Y22 PolarHBondContact OE1-OH 2.86Å
16L89.5Confident87.4Confident13 Ų1368.5 Ų68.57%0.06835%0.352CS..SBendtrans-96.8-22.9175.9-69.2164000112.7F14 F23 E56 K59 L60 L76F14-L16 HydrophobicContact CD2-CD2 4.38Å; F14-L16 HydrophobicContact CD2-CG 4.33Å; F14-L16 HydrophobicContact CE2-CD1 4.44Å; F14-L16 HydrophobicContact CE2-CD2 4.13Å; F14-L16 HydrophobicContact CE2-CG 4.12Å; L16-F23 HydrophobicContact CD1-CD2 4.12Å; L16-F23 HydrophobicContact CD1-CE2 4.42Å; L16-E56 HydrophobicContact CD1-CB 4.26Å; L16-E56 HydrophobicContact CD1-CG 3.9Å; L16-E56 WeakPolarHBondContact CD1-OE1 3.47Å; L16-E56 HydrophobicContact CD2-CB 4.26Å; L16-E56 HydrophobicContact CD2-CG 4.39Å; L16-K59 HydrophobicContact CD2-CB 4.26Å; L16-K59 PolarHBondContact O-NZ 2.89Å; L16-L60 HydrophobicContact CD2-CD2 4.32Å; L16-L60 HydrophobicContact CD2-CG 4.48Å; L16-L76 HydrophobicContact CD1-CD1 3.48Å; L16-L76 VanDerWaalsContact CD1-CD1 3.48Å; L16-L76 HydrophobicContact CD1-CD2 4.43Å
17E88.5Confident88.2Confident107 Ų10769.8 Ų69.850%0.537%0.367SS..SBendtrans-129.8150.7175.6-56.8-55.5153.900109.5D19 G20 K59E17-D19 VanDerWaalsContact C-N 3.26Å; E17-D19 PolarHBondContact O-N 2.64Å; E17-G20 PolarHBondContact O-N 2.81Å; E17-K59 IonicContact OE1-NZ 3.79Å; E17-K59 PolarHBondContact OE1-NZ 2.86Å; E17-K59 IonicContact OE2-NZ 3.64Å; E17-K59 PolarHBondContact OE2-NZ 3.04Å
18S83.4Confident89.6Confident106 Ų10668.1 Ų68.174%0.74136%0.363SS*.THydrogen-bonded Turntrans-60-30.6-173.850.50000114.8
19D84.4Confident90.7Very high160 Ų16065.7 Ų65.786%0.85634%0.338SS*.THydrogen-bonded Turntrans-115.724.7176.4-63.5-42.7000111.9E17E17-D19 VanDerWaalsContact C-N 3.26Å; E17-D19 PolarHBondContact O-N 2.64Å
20G87.9Confident91.2Very high26 Ų2657.5 Ų57.527%0.26830%0.301SS..SBendtrans-90.3171.1-173.500000115.3Q15 E17Q15-G20 PolarHBondContact NE2-O 3.41Å; E17-G20 PolarHBondContact O-N 2.81Å
21E92.6Very high91.1Very high92 Ų9257.4 Ų57.443%0.4330%0.297SS..PPolyproline II helixtrans-64150.4168-66-177.6171.200110.9F23 R78E21-F23 HydrophobicContact CB-CE1 4.37Å; E21-F23 HydrophobicContact CB-CE2 4Å; E21-F23 HydrophobicContact CB-CZ 3.73Å; E21-F23 WeakPolarHBondContact O-CD2 3.27Å; E21-F23 WeakPolarHBondContact O-CE2 3.49Å; E21-R78 IonicContact OE1-CZ 3.7Å; E21-R78 IonicContact OE1-NE 2.67Å; E21-R78 IonicContact OE1-NH2 2.98Å; E21-R78 PolarHBondContact OE1-NH2 3.47Å; E21-R78 IonicContact OE2-CZ 3.07Å; E21-R78 IonicContact OE2-NE 2.64Å; E21-R78 PolarHBondContact OE2-NE 2.83Å; E21-R78 IonicContact OE2-NH2 3.19Å; E21-R78 PolarHBondContact OE2-NH2 3.47Å
22Y95.5Very high91.1Very high109 Ų10958.4 Ų58.443%0.42730%0.3SS..EExtended strand (participates in β ladder)trans-84.8142.7171.3-74.6-100.5000110.5E13 F14 Q15 T79E13-Y22 HydrophobicContact CB-CD1 4.48Å; F14-Y22 WeakPolarHBondContact O-CA 3.32Å; Q15-Y22 HydrophobicContact CG-CD1 3.57Å; Q15-Y22 HydrophobicContact CG-CD2 3.74Å; Q15-Y22 HydrophobicContact CG-CE1 3.57Å; Q15-Y22 HydrophobicContact CG-CE2 3.75Å; Q15-Y22 HydrophobicContact CG-CG 3.64Å; Q15-Y22 PolarHBondContact OE1-OH 2.86Å; Y22-T79 WeakPolarHBondContact CB-OG1 3.36Å; Y22-T79 PolarHBondContact O-N 2.81Å; Y22-T79 PolarHBondContact O-OG1 2.67Å
23F97.2Very high91Very high17 Ų1753.8 Ų53.88%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-127.8156.9179.3-59.2-77.2000112.6F14 L16 E21 W48 L76 L77 R78F14-F23 WeakPolarHBondContact CD1-O 3.19Å; F14-F23 WeakPolarHBondContact CE1-O 3.43Å; F14-F23 HydrophobicContact CE2-CB 4.16Å; F14-F23 HydrophobicContact CZ-CB 4.16Å; F14-F23 PolarHBondContact N-O 2.86Å; F14-F23 PolarHBondContact O-N 3.07Å; L16-F23 HydrophobicContact CD1-CD2 4.12Å; L16-F23 HydrophobicContact CD1-CE2 4.42Å; E21-F23 HydrophobicContact CB-CE1 4.37Å; E21-F23 HydrophobicContact CB-CE2 4Å; E21-F23 HydrophobicContact CB-CZ 3.73Å; E21-F23 WeakPolarHBondContact O-CD2 3.27Å; E21-F23 WeakPolarHBondContact O-CE2 3.49Å; F23-W48 HydrophobicContact CD1-CH2 4.39Å; F23-W48 AromaticContact CD1-CZ3 3.96Å; F23-W48 HydrophobicContact CD1-CZ3 3.96Å; F23-W48 AromaticContact CE1-CH2 3.66Å; F23-W48 HydrophobicContact CE1-CH2 3.66Å; F23-W48 AromaticContact CE1-CZ3 3.62Å; F23-W48 HydrophobicContact CE1-CZ3 3.62Å; F23-W48 HydrophobicContact CZ-CH2 4.45Å; F23-L76 HydrophobicContact CB-CB 4.27Å; F23-L76 HydrophobicContact CB-CD2 4.18Å; F23-L76 HydrophobicContact CD1-CB 3.92Å; F23-L76 HydrophobicContact CD1-CD1 4.48Å; F23-L76 HydrophobicContact CD2-CD1 4.47Å; F23-L76 HydrophobicContact CG-CB 4.19Å; F23-L76 HydrophobicContact CG-CD1 4.29Å; F23-L77 CarbonylContact C-O 3.58Å; F23-L77 WeakPolarHBondContact CA-O 3.49Å; F23-R78 HydrophobicContact CD1-CG 4.39Å; F23-R78 HydrophobicContact CE1-CG 4.03Å
24Y97Very high90.3Very high1 Ų154.6 Ų54.60%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-112.1154.8159.3-69.9-63.9000110.3P11 I12 E13 V29 L76 L77 T79 V82 N83P11-Y24 HydrophobicContact CB-CD1 3.64Å; P11-Y24 HydrophobicContact CB-CE1 3.87Å; P11-Y24 HydrophobicContact CB-CG 4.35Å; P11-Y24 WeakPolarHBondContact O-CE1 3.47Å; I12-Y24 WeakPolarHBondContact O-CD1 3.37Å; E13-Y24 HydrophobicContact CB-CD1 4.1Å; E13-Y24 HydrophobicContact CB-CE1 3.54Å; E13-Y24 HydrophobicContact CG-CE1 4.48Å; E13-Y24 VanDerWaalsContact N-CE1 3.32Å; Y24-V29 VanDerWaalsContact CB-CG2 3.44Å; Y24-V29 HydrophobicContact CD2-CG2 4.2Å; Y24-V29 HydrophobicContact CG-CG2 3.9Å; Y24-L76 WeakPolarHBondContact O-CA 3.3Å; Y24-L77 PolarHBondContact N-O 3.31Å; Y24-L77 PolarHBondContact O-N 3.2Å; Y24-T79 HydrophobicContact CD2-CG2 3.7Å; Y24-T79 HydrophobicContact CE1-CG2 4.49Å; Y24-T79 HydrophobicContact CE2-CG2 3.68Å; Y24-T79 HydrophobicContact CG-CG2 4.14Å; Y24-V82 HydrophobicContact CD2-CB 3.69Å; Y24-V82 HydrophobicContact CD2-CG1 3.66Å; Y24-V82 HydrophobicContact CD2-CG2 4.06Å; Y24-V82 HydrophobicContact CE2-CB 3.95Å; Y24-V82 HydrophobicContact CE2-CG1 3.82Å; Y24-N83 PolarHBondContact OH-OD1 2.99Å; Y24-N83 VanDerWaalsContact OH-OD1 3.04Å
25L94.6Very high89.9Confident9 Ų955.3 Ų55.35%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-75.7129.7164.6-73.6175.1000110.1F14 S27 E28 V29 L60 L65 A74 L76F14-L25 HydrophobicContact CE1-CG 3.94Å; F14-L25 HydrophobicContact CZ-CD2 4.21Å; F14-L25 HydrophobicContact CZ-CG 4.02Å; L25-S27 PolarHBondContact O-N 3.38Å; L25-E28 HydrophobicContact CB-CB 4.33Å; L25-E28 HydrophobicContact CB-CG 3.99Å; L25-E28 HydrophobicContact CD1-CG 4.42Å; L25-E28 PolarHBondContact O-N 2.91Å; L25-E28 VanDerWaalsContact O-N 3.09Å; L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 2.94Å; L25-L60 HydrophobicContact CD2-CD1 4Å; L25-L60 HydrophobicContact CD2-CD2 4.43Å; L25-L65 HydrophobicContact CD1-CB 4.34Å; L25-L65 VanDerWaalsContact CD1-O 3.3Å; L25-L65 WeakPolarHBondContact CD1-O 3.3Å; L25-A74 HydrophobicContact CD2-CB 3.99Å; L25-L76 HydrophobicContact CD2-CD2 4.24Å
26A93.4Very high89.2Confident11 Ų1156.6 Ų56.69%0.09129%0.285CS..Hα-helixtrans-60.5-30178.400000113.2G30 F41 M75 L77A26-G30 PolarHBondContact O-N 3.26Å; A26-F41 HydrophobicContact CB-CZ 3.92Å; A26-M75 HydrophobicContact CB-CB 3.84Å; A26-M75 WeakPolarHBondContact CB-O 3.27Å; A26-M75 PolarHBondContact N-O 3.34Å; A26-L77 HydrophobicContact CB-CD1 3.84Å; A26-L77 HydrophobicContact CB-CD2 4.07Å; A26-L77 HydrophobicContact CB-CG 3.84Å
27S89.8Confident88.2Confident69 Ų6961.4 Ų61.448%0.48330%0.302SS..Hα-helixtrans-63.3-44.3174.251.80000111.9L25 R31L25-S27 PolarHBondContact O-N 3.38Å; S27-R31 WeakPolarHBondContact O-CB 3.47Å; S27-R31 PolarHBondContact O-N 3.48Å
28E91.2Very high87.7Confident81 Ų8164.3 Ų64.338%0.37931%0.313SS..Hα-helixtrans-71.6-41.1-179.9-61.2-48.6124.700111.4P11 L25 R31 Y32P11-E28 HydrophobicContact CB-CB 3.96Å; P11-E28 HydrophobicContact CG-CB 4.33Å; L25-E28 HydrophobicContact CB-CB 4.33Å; L25-E28 HydrophobicContact CB-CG 3.99Å; L25-E28 HydrophobicContact CD1-CG 4.42Å; L25-E28 PolarHBondContact O-N 2.91Å; L25-E28 VanDerWaalsContact O-N 3.09Å; E28-R31 WeakPolarHBondContact O-CB 3.33Å; E28-R31 PolarHBondContact O-N 3.19Å; E28-Y32 WeakPolarHBondContact O-CB 3.28Å; E28-Y32 PolarHBondContact O-N 3.41Å
29V92.6Very high87.7Confident1 Ų163.2 Ų63.21%0.00630%0.296CS..Hα-helixtrans-64.2-45.1174.6177.70000110.8P11 Y24 L25 R31 Y32 L33 L40 L77 V82P11-V29 HydrophobicContact CB-CG2 4.28Å; P11-V29 HydrophobicContact CG-CG2 4.14Å; Y24-V29 VanDerWaalsContact CB-CG2 3.44Å; Y24-V29 HydrophobicContact CD2-CG2 4.2Å; Y24-V29 HydrophobicContact CG-CG2 3.9Å; L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 2.94Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 3.24Å; V29-Y32 PolarHBondContact O-N 3.49Å; V29-L33 HydrophobicContact CG1-CD1 3.69Å; V29-L33 HydrophobicContact CG1-CG 4.12Å; V29-L33 VanDerWaalsContact O-CB 3.3Å; V29-L33 WeakPolarHBondContact O-CB 3.3Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 3.27Å; V29-L40 HydrophobicContact CB-CD2 4.32Å; V29-L40 HydrophobicContact CG1-CD1 4.19Å; V29-L40 HydrophobicContact CG1-CD2 4.02Å; V29-L77 HydrophobicContact CB-CD1 3.86Å; V29-L77 HydrophobicContact CG1-CD1 4.03Å; V29-L77 HydrophobicContact CG2-CD1 3.95Å; V29-V82 HydrophobicContact CB-CG1 4.46Å; V29-V82 HydrophobicContact CG1-CG1 3.7Å; V29-V82 HydrophobicContact CG1-CG2 4.3Å; V29-V82 HydrophobicContact CG2-CG1 3.84Å; V29-V82 HydrophobicContact CG2-CG2 4.32Å
30G89.9Confident87.9Confident4 Ų455.8 Ų55.84%0.04126%0.256CS..Hα-helixtrans-57.3-44.9174.100000111.5A26 R34 L35A26-G30 PolarHBondContact O-N 3.26Å; G30-R34 CarbonylContact O-C 3.54Å; G30-R34 WeakPolarHBondContact O-CA 3.48Å; G30-R34 PolarHBondContact O-N 2.82Å; G30-L35 WeakPolarHBondContact CA-O 3.46Å; G30-L35 PolarHBondContact O-N 3.17Å
31R85.7Confident88Confident112 Ų11256.1 Ų56.142%0.42325%0.25SS..Hα-helixtrans-60.4-53.2175.6-174.8-179-175.51314.3112.2Y7 S27 E28 V29 L33 R34 F36Y7-R31 HydrophobicContact CD1-CG 3.72Å; Y7-R31 HydrophobicContact CE1-CG 4.24Å; S27-R31 WeakPolarHBondContact O-CB 3.47Å; S27-R31 PolarHBondContact O-N 3.48Å; E28-R31 WeakPolarHBondContact O-CB 3.33Å; E28-R31 PolarHBondContact O-N 3.19Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 3.24Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.8Å; R31-R34 PolarHBondContact O-N 3.05Å; R31-F36 HydrophobicContact CB-CE1 4.11Å; R31-F36 HydrophobicContact CG-CE1 4.3Å
32Y89.5Confident87.9Confident31 Ų3158.7 Ų58.712%0.12226%0.26CS..Hα-helixtrans-61.2-40.9-177.9-178.9-112.8000113.1R6 Y7 E9 K10 P11 E28 V29 R34 I86R6-Y32 WeakPolarHBondContact CA-O 3.3Å; R6-Y32 HydrophobicContact CB-CD2 3.94Å; R6-Y32 HydrophobicContact CB-CE2 3.62Å; R6-Y32 HydrophobicContact CG-CD2 4.36Å; R6-Y32 HydrophobicContact CG-CE1 4.25Å; R6-Y32 HydrophobicContact CG-CE2 3.69Å; Y7-Y32 PolarHBondContact N-O 2.81Å; Y7-Y32 WeakPolarHBondContact O-CA 3.32Å; E9-Y32 VanDerWaalsContact O-CD2 3.26Å; E9-Y32 WeakPolarHBondContact O-CD2 3.39Å; K10-Y32 VanDerWaalsContact CA-CE2 3.49Å; K10-Y32 HydrophobicContact CB-CE2 4.04Å; K10-Y32 HydrophobicContact CG-CE1 4.44Å; P11-Y32 HydrophobicContact CG-CD1 4.23Å; P11-Y32 HydrophobicContact CG-CG 3.99Å; E28-Y32 WeakPolarHBondContact O-CB 3.28Å; E28-Y32 PolarHBondContact O-N 3.41Å; V29-Y32 PolarHBondContact O-N 3.49Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; Y32-I86 HydrophobicContact CD1-CD1 4.19Å; Y32-I86 HydrophobicContact CE1-CD1 3.94Å; Y32-I86 HydrophobicContact CE1-CG1 4.21Å; Y32-I86 HydrophobicContact CE1-CG2 4.42Å
33L87.6Confident87.6Confident16 Ų1659 Ų598%0.08426%0.264CS..Hα-helixtrans-82.5-4177.6-59.9-174.4000113.5V29 R31 L35 L40 I85 I86V29-L33 HydrophobicContact CG1-CD1 3.69Å; V29-L33 HydrophobicContact CG1-CG 4.12Å; V29-L33 VanDerWaalsContact O-CB 3.3Å; V29-L33 WeakPolarHBondContact O-CB 3.3Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.42Å; V29-L33 PolarHBondContact O-N 3.27Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.8Å; L33-L35 HydrophobicContact CB-CB 4.4Å; L33-L35 HydrophobicContact CB-CD1 3.87Å; L33-L35 HydrophobicContact CB-CG 3.99Å; L33-L35 HydrophobicContact CD1-CD1 4.18Å; L33-L35 PolarHBondContact O-N 2.86Å; L33-L40 HydrophobicContact CD1-CD1 3.79Å; L33-I85 HydrophobicContact CD1-CG2 4.03Å; L33-I86 HydrophobicContact CD2-CG1 4Å
34R79.1Confident87.4Confident115 Ų11560.6 Ų60.643%0.43427%0.269SS..THydrogen-bonded Turntrans55.534.1-170.6-56.3-175.9-179.5-155.8-3.3114F5 R6 G30 R31 Y32 F36F5-R34 WeakPolarHBondContact O-CD 3.14Å; F5-R34 PolarHBondContact O-NE 3.19Å; R6-R34 PolarHBondContact O-NH2 3.33Å; R6-R34 VanDerWaalsContact O-NH2 3.1Å; G30-R34 CarbonylContact O-C 3.54Å; G30-R34 WeakPolarHBondContact O-CA 3.48Å; G30-R34 PolarHBondContact O-N 2.82Å; R31-R34 PolarHBondContact O-N 3.05Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; R34-F36 HydrophobicContact CB-CE2 4.25Å
35L85Confident87.1Confident24 Ų2464.7 Ų64.713%0.12630%0.296CS..  trans-110.780.1179.5-63.3174.2000110G30 L33 L40 K43 Y44G30-L35 WeakPolarHBondContact CA-O 3.46Å; G30-L35 PolarHBondContact O-N 3.17Å; L33-L35 HydrophobicContact CB-CB 4.4Å; L33-L35 HydrophobicContact CB-CD1 3.87Å; L33-L35 HydrophobicContact CB-CG 3.99Å; L33-L35 HydrophobicContact CD1-CD1 4.18Å; L33-L35 PolarHBondContact O-N 2.86Å; L35-L40 HydrophobicContact CB-CB 3.93Å; L35-L40 HydrophobicContact CB-CD1 4.28Å; L35-L40 HydrophobicContact CD1-CD1 3.76Å; L35-K43 HydrophobicContact CD1-CD 3.9Å; L35-K43 HydrophobicContact CD2-CD 3.93Å; L35-Y44 HydrophobicContact CD1-CD2 4.33Å; L35-Y44 HydrophobicContact CD1-CE2 3.79Å
36F78Confident87Confident85 Ų8571.5 Ų71.537%0.37333%0.332SS..THydrogen-bonded Turntrans-84.8168.8-177.5-56.3-77.7000112.7R31 R34 K38 E39R31-F36 HydrophobicContact CB-CE1 4.11Å; R31-F36 HydrophobicContact CG-CE1 4.3Å; R34-F36 HydrophobicContact CB-CE2 4.25Å; F36-K38 PolarHBondContact O-N 2.82Å; F36-E39 WeakPolarHBondContact O-CB 3.24Å; F36-E39 WeakPolarHBondContact O-CG 3.43Å; F36-E39 PolarHBondContact O-N 3.23Å
37R68.4Low87.1Confident114 Ų11471.5 Ų71.543%0.4333%0.331SS..THydrogen-bonded Turntrans47.850170.2-59-161.1-176.892.1-3.7116.3E39 C221 D223 D224R37-E39 PolarHBondContact O-N 3.35Å; R37-C221 PolarHBondContact NH2-SG 3.01Å; R37-C221 VanDerWaalsContact NH2-SG 3.36Å; R37-D223 IonicContact CZ-OD2 4Å; R37-D223 IonicContact NE-OD2 3.23Å; R37-D223 VanDerWaalsContact NH1-C 3.31Å; R37-D223 PolarHBondContact NH1-O 3.5Å; R37-D223 IonicContact NH1-OD2 2.66Å; R37-D223 IonicContact NH2-OD1 2.82Å; R37-D223 IonicContact NH2-OD2 3.88Å; R37-D223 PolarHBondContact NH2-OD2 3.21Å; R37-D224 IonicContact CZ-OD1 3.05Å; R37-D224 IonicContact NE-OD1 2.98Å; R37-D224 IonicContact NH1-OD1 3.99Å; R37-D224 PolarHBondContact NH1-OD1 3.05Å; R37-D224 IonicContact NH2-OD1 3.83Å
38K78.8Confident87.4Confident168 Ų16871.6 Ų71.673%0.7332%0.321SS*.THydrogen-bonded Turntrans70.8-0.2-179.4-44.9171.4-179.7174.90114.9F36 L40 F41 K42F36-K38 PolarHBondContact O-N 2.82Å; K38-L40 PolarHBondContact O-N 3.45Å; K38-F41 HydrophobicContact CB-CD2 4.32Å; K38-F41 CarbonylContact O-C 3.55Å; K38-F41 WeakPolarHBondContact O-CA 3.16Å; K38-F41 PolarHBondContact O-N 3.37Å; K38-K42 PolarHBondContact O-N 3.07Å
39E83.2Confident87.6Confident82 Ų8272 Ų7238%0.38332%0.321SS..Hα-helixtrans-59-31.2173-70.8-63.8132.200111.3F36 R37 F41 K42 K43F36-E39 WeakPolarHBondContact O-CB 3.24Å; F36-E39 WeakPolarHBondContact O-CG 3.43Å; F36-E39 PolarHBondContact O-N 3.23Å; R37-E39 PolarHBondContact O-N 3.35Å; E39-F41 PolarHBondContact O-N 3.46Å; E39-K42 PolarHBondContact O-N 3.14Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-K42 WeakPolarHBondContact OE1-CD 3.43Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.83Å; E39-K42 IonicContact OE2-NZ 3.65Å; E39-K42 PolarHBondContact OE2-NZ 3.3Å; E39-K43 VanDerWaalsContact O-CB 3.31Å; E39-K43 WeakPolarHBondContact O-CB 3.19Å; E39-K43 PolarHBondContact O-N 3.4Å
40L88.7Confident87.7Confident4 Ų475.6 Ų75.62%0.02134%0.335CS..Hα-helixtrans-52.5-45.3170.7-178.364.1000111.5V29 L33 L35 K38 Y44 L47 L77V29-L40 HydrophobicContact CB-CD2 4.32Å; V29-L40 HydrophobicContact CG1-CD1 4.19Å; V29-L40 HydrophobicContact CG1-CD2 4.02Å; L33-L40 HydrophobicContact CD1-CD1 3.79Å; L35-L40 HydrophobicContact CB-CB 3.93Å; L35-L40 HydrophobicContact CB-CD1 4.28Å; L35-L40 HydrophobicContact CD1-CD1 3.76Å; K38-L40 PolarHBondContact O-N 3.45Å; L40-Y44 HydrophobicContact CD1-CD2 4.06Å; L40-Y44 HydrophobicContact CD1-CE2 4.49Å; L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 WeakPolarHBondContact O-CD2 3.39Å; L40-Y44 PolarHBondContact O-N 3.47Å; L40-L47 HydrophobicContact CD1-CD2 4.32Å; L40-L47 HydrophobicContact CD2-CD2 4.28Å; L40-L47 HydrophobicContact CG-CD2 4.06Å; L40-L77 HydrophobicContact CD2-CD1 3.74Å
41F91.2Very high87.9Confident33 Ų3380.6 Ų80.615%0.14536%0.36CS..Hα-helixtrans-84.7-16.9-178.5-56-56.2000113.8A26 K38 E39 Y44 P45 L47 K49 M75 L77A26-F41 HydrophobicContact CB-CZ 3.92Å; K38-F41 HydrophobicContact CB-CD2 4.32Å; K38-F41 CarbonylContact O-C 3.55Å; K38-F41 WeakPolarHBondContact O-CA 3.16Å; K38-F41 PolarHBondContact O-N 3.37Å; E39-F41 PolarHBondContact O-N 3.46Å; F41-Y44 CarbonylContact O-C 3.57Å; F41-P45 WeakPolarHBondContact O-CA 3.32Å; F41-L47 HydrophobicContact CD1-CD2 4.38Å; F41-L47 HydrophobicContact CE1-CD2 4.25Å; F41-K49 HydrophobicContact CD1-CD 3.39Å; F41-K49 HydrophobicContact CD2-CD 4.38Å; F41-K49 HydrophobicContact CE1-CB 3.94Å; F41-K49 HydrophobicContact CE1-CD 3.32Å; F41-K49 HydrophobicContact CE1-CG 4.26Å; F41-K49 HydrophobicContact CE2-CD 4.33Å; F41-K49 HydrophobicContact CG-CD 3.94Å; F41-K49 HydrophobicContact CZ-CB 4.35Å; F41-K49 HydrophobicContact CZ-CD 3.82Å; F41-M75 HydrophobicContact CE2-CE 4.2Å; F41-M75 HydrophobicContact CE2-SD 4.22Å; F41-M75 HydrophobicContact CZ-CE 3.99Å; F41-M75 HydrophobicContact CZ-SD 4.36Å; F41-L77 HydrophobicContact CE1-CD2 3.68Å; F41-L77 HydrophobicContact CZ-CD2 4.06Å
42K89.2Confident88.3Confident147 Ų14775.7 Ų75.764%0.63934%0.342SS*.Hα-helixtrans-79.7-40.1172.3-173.9178.6165.5-160.80110.6K38 E39K38-K42 PolarHBondContact O-N 3.07Å; E39-K42 PolarHBondContact O-N 3.14Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-K42 WeakPolarHBondContact OE1-CD 3.43Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.83Å; E39-K42 IonicContact OE2-NZ 3.65Å; E39-K42 PolarHBondContact OE2-NZ 3.3Å
43K89Confident88.4Confident115 Ų11577 Ų7750%0.535%0.354SS..Hα-helixtrans-71.8-38.5174.9-167.9172.2-176.1178.70111.9L35 E39 P45L35-K43 HydrophobicContact CD1-CD 3.9Å; L35-K43 HydrophobicContact CD2-CD 3.93Å; E39-K43 VanDerWaalsContact O-CB 3.31Å; E39-K43 WeakPolarHBondContact O-CB 3.19Å; E39-K43 PolarHBondContact O-N 3.4Å; K43-P45 VanDerWaalsContact C-CD 3.5Å; K43-P45 WeakPolarHBondContact O-CD 3.32Å
44Y92.7Very high88.6Confident51 Ų5181.4 Ų81.420%0.238%0.383CS..SBendtrans-12175.8177.2-53.9-78.5000110.2L35 L40 F41 N46 L47 I85 Q89L35-Y44 HydrophobicContact CD1-CD2 4.33Å; L35-Y44 HydrophobicContact CD1-CE2 3.79Å; L40-Y44 HydrophobicContact CD1-CD2 4.06Å; L40-Y44 HydrophobicContact CD1-CE2 4.49Å; L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 WeakPolarHBondContact O-CD2 3.39Å; L40-Y44 PolarHBondContact O-N 3.47Å; F41-Y44 CarbonylContact O-C 3.57Å; Y44-N46 VanDerWaalsContact C-N 3.25Å; Y44-N46 PolarHBondContact O-N 3.41Å; Y44-L47 VanDerWaalsContact O-CB 3.24Å; Y44-L47 WeakPolarHBondContact O-CB 3.29Å; Y44-L47 PolarHBondContact O-N 3.06Å; Y44-I85 HydrophobicContact CD1-CD1 3.69Å; Y44-I85 HydrophobicContact CD1-CG1 3.9Å; Y44-I85 HydrophobicContact CD2-CD1 4.07Å; Y44-I85 HydrophobicContact CD2-CG2 4.47Å; Y44-I85 HydrophobicContact CE1-CB 4.45Å; Y44-I85 HydrophobicContact CE1-CD1 4.05Å; Y44-I85 HydrophobicContact CE1-CG1 3.81Å; Y44-I85 HydrophobicContact CE1-CG2 3.88Å; Y44-I85 HydrophobicContact CE2-CD1 4.4Å; Y44-I85 HydrophobicContact CE2-CG2 3.76Å; Y44-I85 HydrophobicContact CG-CD1 3.71Å; Y44-I85 HydrophobicContact CG-CG1 4.4Å; Y44-I85 VanDerWaalsContact CZ-CG2 3.43Å; Y44-I85 WeakPolarHBondContact OH-CG2 3.49Å; Y44-Q89 PolarHBondContact OH-NE2 3.01Å
45P91.7Very high89.2Confident86 Ų8683.3 Ų83.356%0.55840%0.397SS*.THydrogen-bonded Turntrans-65.6-27-175.425.7-34.3000113.9F41 K43F41-P45 WeakPolarHBondContact O-CA 3.32Å; K43-P45 VanDerWaalsContact C-CD 3.5Å; K43-P45 WeakPolarHBondContact O-CD 3.32Å
46N93Very high89.7Confident152 Ų15283.3 Ų83.381%0.81340%0.396SS*.THydrogen-bonded Turntrans-89.5-0.3179.8-60.8-31.9000113.4Y44 W48Y44-N46 VanDerWaalsContact C-N 3.25Å; Y44-N46 PolarHBondContact O-N 3.41Å; N46-W48 PolarHBondContact O-N 2.79Å
47L94.8Very high90.4Very high11 Ų1182 Ų826%0.05839%0.391CS..  trans-63121.9179.4-178.363000109.9L40 F41 Y44 K49 L77 E81 V82 I85L40-L47 HydrophobicContact CD1-CD2 4.32Å; L40-L47 HydrophobicContact CD2-CD2 4.28Å; L40-L47 HydrophobicContact CG-CD2 4.06Å; F41-L47 HydrophobicContact CD1-CD2 4.38Å; F41-L47 HydrophobicContact CE1-CD2 4.25Å; Y44-L47 VanDerWaalsContact O-CB 3.24Å; Y44-L47 WeakPolarHBondContact O-CB 3.29Å; Y44-L47 PolarHBondContact O-N 3.06Å; L47-K49 PolarHBondContact O-N 3.27Å; L47-L77 HydrophobicContact CD2-CD1 4.12Å; L47-L77 HydrophobicContact CD2-CD2 4.1Å; L47-L77 HydrophobicContact CG-CD2 4.24Å; L47-E81 HydrophobicContact CD1-CB 3.7Å; L47-E81 WeakPolarHBondContact CD1-OE2 3.48Å; L47-V82 HydrophobicContact CD1-CG2 4.35Å; L47-I85 HydrophobicContact CD1-CD1 3.87Å; L47-I85 HydrophobicContact CD2-CD1 4.4Å
48W96.2Very high91.5Very high71 Ų7182.6 Ų82.627%0.26940%0.398SS..  trans-60.2132.5177.2-176.199.2000110.1F23 N46 R50 L76 L77 R78 E81F23-W48 HydrophobicContact CD1-CH2 4.39Å; F23-W48 AromaticContact CD1-CZ3 3.96Å; F23-W48 HydrophobicContact CD1-CZ3 3.96Å; F23-W48 AromaticContact CE1-CH2 3.66Å; F23-W48 HydrophobicContact CE1-CH2 3.66Å; F23-W48 AromaticContact CE1-CZ3 3.62Å; F23-W48 HydrophobicContact CE1-CZ3 3.62Å; F23-W48 HydrophobicContact CZ-CH2 4.45Å; N46-W48 PolarHBondContact O-N 2.79Å; W48-R50 HydrophobicContact CH2-CB 3.53Å; W48-R50 HydrophobicContact CZ2-CB 3.87Å; W48-R50 HydrophobicContact CZ3-CB 4.07Å; W48-L76 HydrophobicContact CZ3-CB 4.3Å; W48-L77 WeakPolarHBondContact O-CD2 3.31Å; W48-R78 HydrophobicContact CD2-CG 3.92Å; W48-R78 HydrophobicContact CE3-CB 4.33Å; W48-R78 HydrophobicContact CE3-CG 3.6Å; W48-R78 HydrophobicContact CG-CG 4.4Å; W48-R78 HydrophobicContact CZ3-CG 4Å; W48-E81 WeakPolarHBondContact CB-OE2 3.15Å; W48-E81 PolarHBondContact N-OE2 2.84Å
49K95.1Very high92.2Very high90 Ų9077.5 Ų77.539%0.39138%0.376SS..EExtended strand (participates in β ladder)trans-149.8143.7179.370.1-159.3176.9-157.30112F41 L47 M75 L76 L77F41-K49 HydrophobicContact CD1-CD 3.39Å; F41-K49 HydrophobicContact CD2-CD 4.38Å; F41-K49 HydrophobicContact CE1-CB 3.94Å; F41-K49 HydrophobicContact CE1-CD 3.32Å; F41-K49 HydrophobicContact CE1-CG 4.26Å; F41-K49 HydrophobicContact CE2-CD 4.33Å; F41-K49 HydrophobicContact CG-CD 3.94Å; F41-K49 HydrophobicContact CZ-CB 4.35Å; F41-K49 HydrophobicContact CZ-CD 3.82Å; L47-K49 PolarHBondContact O-N 3.27Å; K49-M75 HydrophobicContact CB-CE 3.75Å; K49-M75 HydrophobicContact CD-CE 3.62Å; K49-M75 HydrophobicContact CG-CE 3.56Å; K49-L76 VanDerWaalsContact CA-O 3.3Å; K49-L76 WeakPolarHBondContact CA-O 3.32Å; K49-L77 HydrophobicContact CB-CD2 3.75Å
50R94.6Very high92.7Very high77 Ų7773.6 Ų73.629%0.29136%0.358SS..EExtended strand (participates in β ladder)trans-142.8144.1175.6-171.8-176.754.984.5-14.5111.2W48 E56 M75 L76W48-R50 HydrophobicContact CH2-CB 3.53Å; W48-R50 HydrophobicContact CZ2-CB 3.87Å; W48-R50 HydrophobicContact CZ3-CB 4.07Å; R50-E56 IonicContact CZ-OE1 3.64Å; R50-E56 IonicContact CZ-OE2 3.65Å; R50-E56 IonicContact NH1-OE1 3.58Å; R50-E56 IonicContact NH1-OE2 3.08Å; R50-E56 PolarHBondContact NH1-OE2 3.46Å; R50-E56 IonicContact NH2-OE1 3.35Å; R50-E56 PolarHBondContact NH2-OE1 3.28Å; R50-E56 IonicContact NH2-OE2 2.88Å; R50-E56 PolarHBondContact NH2-OE2 2.89Å; R50-M75 CarbonylContact O-C 3.52Å; R50-M75 WeakPolarHBondContact O-CA 3.46Å; R50-L76 PolarHBondContact N-O 3.05Å; R50-L76 VanDerWaalsContact N-O 3.14Å; R50-L76 PolarHBondContact O-N 2.85Å
51L94Very high92.8Very high108 Ų10875.8 Ų75.857%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-69.7140.6169-74.8167.6000111M75L51-M75 HydrophobicContact CD2-CG 3.71Å; L51-M75 HydrophobicContact CG-CG 4.45Å
52V93.6Very high92.9Very high10 Ų1082 Ų826%0.06140%0.399CS..PPolyproline II helixtrans-67.7133.3176.6-179.90000110.3E56 K57 L60 A74 L76V52-E56 HydrophobicContact CG1-CB 3.38Å; V52-K57 HydrophobicContact CB-CG 4.25Å; V52-K57 HydrophobicContact CG1-CB 4.35Å; V52-K57 HydrophobicContact CG1-CG 3.64Å; V52-L60 HydrophobicContact CB-CD1 4.44Å; V52-L60 HydrophobicContact CG1-CD1 3.81Å; V52-L60 HydrophobicContact CG2-CD1 3.82Å; V52-A74 HydrophobicContact CB-CB 4.32Å; V52-A74 HydrophobicContact CG2-CB 3.68Å; V52-A74 VanDerWaalsContact CG2-O 3.29Å; V52-A74 WeakPolarHBondContact CG2-O 3.2Å; V52-A74 PolarHBondContact N-O 2.85Å; V52-A74 VanDerWaalsContact N-O 3.07Å; V52-L76 HydrophobicContact CG2-CD1 4.15Å; V52-L76 HydrophobicContact CG2-CD2 3.77Å; V52-L76 HydrophobicContact CG2-CG 3.64Å
53T93.3Very high93Very high58 Ų5879.3 Ų79.336%0.35639%0.389SS..PPolyproline II helixtrans-73.7162175.562.70000111.8E55 E56 K57T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 3.2Å; T53-E56 WeakPolarHBondContact CB-OE2 3.33Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.49Å; T53-E56 PolarHBondContact N-OE2 3Å; T53-E56 PolarHBondContact O-N 3.4Å; T53-E56 WeakPolarHBondContact OG1-CB 3.27Å; T53-E56 WeakPolarHBondContact OG1-CG 3.3Å; T53-E56 PolarHBondContact OG1-N 3.25Å; T53-E56 PolarHBondContact OG1-OE2 3.25Å; T53-K57 WeakPolarHBondContact O-CG 3.45Å; T53-K57 PolarHBondContact O-N 3.31Å
54P91.7Very high93.1Very high109 Ų10977 Ų7771%0.70840%0.398SS*.Hα-helixtrans-55.5-37.5179.6-25.635.1000114.4K57 E58P54-K57 WeakPolarHBondContact O-CB 3.5Å; P54-K57 PolarHBondContact O-N 3.33Å; P54-E58 PolarHBondContact O-N 3.4Å
55E91.5Very high92.9Very high155 Ų15576.5 Ų76.572%0.72440%0.399SS*.Hα-helixtrans-70.8-42.6177.9-64.7175.9-170.700111.8T53 K57 E58 K59T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 3.2Å; E55-K57 VanDerWaalsContact C-N 3.27Å; E55-K57 PolarHBondContact O-N 3.32Å; E55-E58 PolarHBondContact O-N 3.3Å; E55-K59 PolarHBondContact O-N 2.72Å
56E94Very high92.6Very high23 Ų2373 Ų7311%0.10738%0.377CS..Hα-helixtrans-66.6-29.2176.4-66.5168145.800112.1L16 R50 V52 T53 E58 K59 L60L16-E56 HydrophobicContact CD1-CB 4.26Å; L16-E56 HydrophobicContact CD1-CG 3.9Å; L16-E56 WeakPolarHBondContact CD1-OE1 3.47Å; L16-E56 HydrophobicContact CD2-CB 4.26Å; L16-E56 HydrophobicContact CD2-CG 4.39Å; R50-E56 IonicContact CZ-OE1 3.64Å; R50-E56 IonicContact CZ-OE2 3.65Å; R50-E56 IonicContact NH1-OE1 3.58Å; R50-E56 IonicContact NH1-OE2 3.08Å; R50-E56 PolarHBondContact NH1-OE2 3.46Å; R50-E56 IonicContact NH2-OE1 3.35Å; R50-E56 PolarHBondContact NH2-OE1 3.28Å; R50-E56 IonicContact NH2-OE2 2.88Å; R50-E56 PolarHBondContact NH2-OE2 2.89Å; V52-E56 HydrophobicContact CG1-CB 3.38Å; T53-E56 WeakPolarHBondContact CB-OE2 3.33Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.49Å; T53-E56 PolarHBondContact N-OE2 3Å; T53-E56 PolarHBondContact O-N 3.4Å; T53-E56 WeakPolarHBondContact OG1-CB 3.27Å; T53-E56 WeakPolarHBondContact OG1-CG 3.3Å; T53-E56 PolarHBondContact OG1-N 3.25Å; T53-E56 PolarHBondContact OG1-OE2 3.25Å; E56-E58 VanDerWaalsContact C-N 3.34Å; E56-K59 PolarHBondContact O-N 3.18Å; E56-L60 WeakPolarHBondContact O-CG 3.37Å; E56-L60 PolarHBondContact O-N 2.92Å
57K93.1Very high92.4Very high59 Ų5969.3 Ų69.326%0.25736%0.36SS..Hα-helixtrans-60.7-45.5173.8-74.2177.2-178.6179.40111.1V52 T53 P54 E55 K59 L60 I61 A71 T72V52-K57 HydrophobicContact CB-CG 4.25Å; V52-K57 HydrophobicContact CG1-CB 4.35Å; V52-K57 HydrophobicContact CG1-CG 3.64Å; T53-K57 WeakPolarHBondContact O-CG 3.45Å; T53-K57 PolarHBondContact O-N 3.31Å; P54-K57 WeakPolarHBondContact O-CB 3.5Å; P54-K57 PolarHBondContact O-N 3.33Å; E55-K57 VanDerWaalsContact C-N 3.27Å; E55-K57 PolarHBondContact O-N 3.32Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-L60 PolarHBondContact O-N 3.03Å; K57-I61 WeakPolarHBondContact O-CG1 3.42Å; K57-I61 PolarHBondContact O-N 2.91Å; K57-I61 VanDerWaalsContact O-N 3.13Å; K57-A71 HydrophobicContact CB-CB 4.4Å; K57-A71 VanDerWaalsContact CE-O 3.31Å; K57-A71 WeakPolarHBondContact CE-O 3.38Å; K57-A71 HydrophobicContact CG-CB 4.44Å; K57-A71 WeakPolarHBondContact CG-O 3.44Å; K57-T72 WeakPolarHBondContact CE-O 3.34Å; K57-T72 PolarHBondContact NZ-O 3Å
58E92.9Very high91.8Very high126 Ų12672.9 Ų72.959%0.58938%0.384SS*.Hα-helixtrans-63.2-42.2177.7-167.760.3-15100110.7P54 E55 E56 L60 I61 Q62P54-E58 PolarHBondContact O-N 3.4Å; E55-E58 PolarHBondContact O-N 3.3Å; E56-E58 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.38Å; E58-I61 PolarHBondContact O-N 3.13Å; E58-Q62 WeakPolarHBondContact O-CB 3.45Å; E58-Q62 PolarHBondContact O-N 2.91Å
59K92.6Very high91Very high61 Ų6176.5 Ų76.527%0.26541%0.407SS..Hα-helixtrans-59.2-45.8174.5-68.8-177.2176.1-173.40112.3L16 E17 E55 E56 K57 I61 Q62 M63L16-K59 HydrophobicContact CD2-CB 4.26Å; L16-K59 PolarHBondContact O-NZ 2.89Å; E17-K59 IonicContact OE1-NZ 3.79Å; E17-K59 PolarHBondContact OE1-NZ 2.86Å; E17-K59 IonicContact OE2-NZ 3.64Å; E17-K59 PolarHBondContact OE2-NZ 3.04Å; E55-K59 PolarHBondContact O-N 2.72Å; E56-K59 PolarHBondContact O-N 3.18Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 3.23Å; K59-Q62 PolarHBondContact O-N 3.31Å; K59-M63 WeakPolarHBondContact O-CB 3.37Å; K59-M63 WeakPolarHBondContact O-CG 3.5Å; K59-M63 PolarHBondContact O-N 3.49Å
60L93.7Very high90.3Very high0 Ų076 Ų760%041%0.412CS..Hα-helixtrans-61.5-38.4178.6-73.4176.8000112.9F14 L16 L25 V52 E56 K57 E58 G64 L65 A66 A74F14-L60 HydrophobicContact CD2-CD2 4.17Å; F14-L60 HydrophobicContact CE1-CD2 4.46Å; F14-L60 HydrophobicContact CE2-CD2 3.45Å; F14-L60 VanDerWaalsContact CE2-CD2 3.45Å; F14-L60 HydrophobicContact CZ-CD2 3.62Å; L16-L60 HydrophobicContact CD2-CD2 4.32Å; L16-L60 HydrophobicContact CD2-CG 4.48Å; L25-L60 HydrophobicContact CD2-CD1 4Å; L25-L60 HydrophobicContact CD2-CD2 4.43Å; V52-L60 HydrophobicContact CB-CD1 4.44Å; V52-L60 HydrophobicContact CG1-CD1 3.81Å; V52-L60 HydrophobicContact CG2-CD1 3.82Å; E56-L60 WeakPolarHBondContact O-CG 3.37Å; E56-L60 PolarHBondContact O-N 2.92Å; K57-L60 PolarHBondContact O-N 3.03Å; E58-L60 PolarHBondContact O-N 3.38Å; L60-G64 PolarHBondContact O-N 3.22Å; L60-L65 HydrophobicContact CD2-CB 4.21Å; L60-L65 HydrophobicContact CD2-CD1 4.08Å; L60-L65 PolarHBondContact O-N 2.93Å; L60-A66 HydrophobicContact CB-CB 4.14Å; L60-A66 PolarHBondContact O-N 3.43Å; L60-A74 HydrophobicContact CD1-CB 4.22Å
61I91.8Very high89.8Confident50 Ų5072.4 Ų72.426%0.25640%0.399SS..Hα-helixtrans-68.3-45.2176.7-63.8162.6000109.9K57 E58 K59 M63 G64 A66 P68 A71K57-I61 WeakPolarHBondContact O-CG1 3.42Å; K57-I61 PolarHBondContact O-N 2.91Å; K57-I61 VanDerWaalsContact O-N 3.13Å; E58-I61 PolarHBondContact O-N 3.13Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 3.23Å; I61-M63 VanDerWaalsContact C-N 3.29Å; I61-M63 PolarHBondContact O-N 3.27Å; I61-G64 PolarHBondContact O-N 3.27Å; I61-A66 WeakPolarHBondContact CA-O 3.4Å; I61-P68 HydrophobicContact CD1-CB 4.21Å; I61-P68 HydrophobicContact CD1-CG 4.19Å; I61-P68 HydrophobicContact CG2-CG 4.44Å; I61-A71 HydrophobicContact CD1-CB 4.1Å; I61-A71 HydrophobicContact CG1-CB 3.98Å
62Q91.5Very high89.3Confident164 Ų16470.7 Ų70.777%0.76639%0.392SS*.Hα-helixtrans-62.2-35.7177.7-170.117724.600112.7E58 K59 G64E58-Q62 WeakPolarHBondContact O-CB 3.45Å; E58-Q62 PolarHBondContact O-N 2.91Å; K59-Q62 PolarHBondContact O-N 3.31Å; Q62-G64 PolarHBondContact O-N 3.11Å
63M91.7Very high88.8Confident90 Ų9076.4 Ų76.444%0.44342%0.423SS..THydrogen-bonded Turntrans-76.3-6.3175.3-66.4171.677.100113.3F14 K59 I61 L65F14-M63 HydrophobicContact CB-CE 3.85Å; K59-M63 WeakPolarHBondContact O-CB 3.37Å; K59-M63 WeakPolarHBondContact O-CG 3.5Å; K59-M63 PolarHBondContact O-N 3.49Å; I61-M63 VanDerWaalsContact C-N 3.29Å; I61-M63 PolarHBondContact O-N 3.27Å; M63-L65 HydrophobicContact CB-CD1 4.01Å; M63-L65 HydrophobicContact CB-CG 3.99Å; M63-L65 HydrophobicContact CE-CD1 3.9Å; M63-L65 PolarHBondContact O-N 3.27Å; M63-L65 HydrophobicContact SD-CD1 4.28Å
64G90.7Very high88.7Confident67 Ų6774.1 Ų74.169%0.69141%0.41SS*.THydrogen-bonded Turntrans71.213.4-177.200000114.4L60 I61 Q62L60-G64 PolarHBondContact O-N 3.22Å; I61-G64 PolarHBondContact O-N 3.27Å; Q62-G64 PolarHBondContact O-N 3.11Å
65L89.3Confident88.8Confident40 Ų4071.3 Ų71.321%0.20939%0.388CS..SBendtrans-83.7-19.1-179.3-64.6173.8000112.7I12 F14 L25 L60 M63I12-L65 HydrophobicContact CB-CD2 4.4Å; I12-L65 HydrophobicContact CG2-CD2 4.24Å; F14-L65 HydrophobicContact CB-CD1 3.72Å; F14-L65 HydrophobicContact CD1-CD1 3.48Å; F14-L65 VanDerWaalsContact CD1-CD1 3.48Å; F14-L65 HydrophobicContact CD2-CD1 3.85Å; F14-L65 HydrophobicContact CE1-CD1 4.01Å; F14-L65 HydrophobicContact CE2-CD1 4.35Å; F14-L65 HydrophobicContact CG-CD1 3.39Å; F14-L65 HydrophobicContact CZ-CD1 4.41Å; L25-L65 HydrophobicContact CD1-CB 4.34Å; L25-L65 VanDerWaalsContact CD1-O 3.3Å; L25-L65 WeakPolarHBondContact CD1-O 3.3Å; L60-L65 HydrophobicContact CD2-CB 4.21Å; L60-L65 HydrophobicContact CD2-CD1 4.08Å; L60-L65 PolarHBondContact O-N 2.93Å; M63-L65 HydrophobicContact CB-CD1 4.01Å; M63-L65 HydrophobicContact CB-CG 3.99Å; M63-L65 HydrophobicContact CE-CD1 3.9Å; M63-L65 PolarHBondContact O-N 3.27Å; M63-L65 HydrophobicContact SD-CD1 4.28Å
66A86.6Confident89Confident12 Ų1264 Ų6410%0.09935%0.353CS..SBendtrans-146.5145.1177.100000111.4L60 I61 A71L60-A66 HydrophobicContact CB-CB 4.14Å; L60-A66 PolarHBondContact O-N 3.43Å; I61-A66 WeakPolarHBondContact CA-O 3.4Å; A66-A71 HydrophobicContact CB-CB 3.9Å
67T87.7Confident89.2Confident74 Ų7462.9 Ų62.945%0.45435%0.348SS..  trans-74.3160.3163.169.40000110.4I69 T70 A71T67-I69 PolarHBondContact O-N 3.02Å; T67-I69 VanDerWaalsContact O-N 3.1Å; T67-T70 PolarHBondContact N-OG1 2.89Å; T67-T70 PolarHBondContact O-N 3.42Å; T67-T70 VanDerWaalsContact O-N 3.1Å; T67-T70 PolarHBondContact O-OG1 2.92Å; T67-T70 VanDerWaalsContact O-OG1 3.05Å; T67-T70 WeakPolarHBondContact OG1-CG2 3.3Å; T67-T70 PolarHBondContact OG1-N 2.84Å; T67-T70 VanDerWaalsContact OG1-N 3.14Å; T67-T70 PolarHBondContact OG1-OG1 3.14Å; T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 2.95Å
68P82.1Confident89.3Confident86 Ų8662.7 Ų62.756%0.55835%0.346SS*.Hα-helixtrans-52-35173.7-27.934.8000113.7I61 T72I61-P68 HydrophobicContact CD1-CB 4.21Å; I61-P68 HydrophobicContact CD1-CG 4.19Å; I61-P68 HydrophobicContact CG2-CG 4.44Å; P68-T72 PolarHBondContact O-OG1 3.32Å
69I79.8Confident89.5Confident147 Ų14757.5 Ų57.575%0.75432%0.323SS*.Hα-helixtrans-69.4-51.4178.3-60.8170.1000110.3T67 A71 T72T67-I69 PolarHBondContact O-N 3.02Å; T67-I69 VanDerWaalsContact O-N 3.1Å; I69-A71 PolarHBondContact O-N 2.9Å; I69-T72 WeakPolarHBondContact O-CB 3.49Å; I69-T72 PolarHBondContact O-N 3.44Å; I69-T72 PolarHBondContact O-OG1 3.38Å
70T80.2Confident89.5Confident81 Ų8159.5 Ų59.550%0.49733%0.329SS..Hα-helixtrans-70.7-30.3-177.451.50000112.9T67 T72T67-T70 PolarHBondContact N-OG1 2.89Å; T67-T70 PolarHBondContact O-N 3.42Å; T67-T70 VanDerWaalsContact O-N 3.1Å; T67-T70 PolarHBondContact O-OG1 2.92Å; T67-T70 VanDerWaalsContact O-OG1 3.05Å; T67-T70 WeakPolarHBondContact OG1-CG2 3.3Å; T67-T70 PolarHBondContact OG1-N 2.84Å; T67-T70 VanDerWaalsContact OG1-N 3.14Å; T67-T70 PolarHBondContact OG1-OG1 3.14Å; T70-T72 VanDerWaalsContact C-N 3.25Å; T70-T72 PolarHBondContact O-N 3.41Å
71A83.5Confident89.6Confident1 Ų161.4 Ų61.41%0.00834%0.338CS..Hα-helixtrans-66.8-26177.900000112.7K57 I61 A66 T67 I69 N73 A74K57-A71 HydrophobicContact CB-CB 4.4Å; K57-A71 VanDerWaalsContact CE-O 3.31Å; K57-A71 WeakPolarHBondContact CE-O 3.38Å; K57-A71 HydrophobicContact CG-CB 4.44Å; K57-A71 WeakPolarHBondContact CG-O 3.44Å; I61-A71 HydrophobicContact CD1-CB 4.1Å; I61-A71 HydrophobicContact CG1-CB 3.98Å; A66-A71 HydrophobicContact CB-CB 3.9Å; T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 2.95Å; I69-A71 PolarHBondContact O-N 2.9Å; A71-N73 VanDerWaalsContact C-N 3.27Å; A71-N73 PolarHBondContact O-N 3.49Å; A71-A74 PolarHBondContact O-N 2.9Å
72T83.1Confident89.7Confident71 Ų7159.1 Ų59.144%0.43633%0.326SS..THydrogen-bonded Turntrans-56.5-39-173.3-63.80000113.1K57 P68 I69 T70K57-T72 WeakPolarHBondContact CE-O 3.34Å; K57-T72 PolarHBondContact NZ-O 3Å; P68-T72 PolarHBondContact O-OG1 3.32Å; I69-T72 WeakPolarHBondContact O-CB 3.49Å; I69-T72 PolarHBondContact O-N 3.44Å; I69-T72 PolarHBondContact O-OG1 3.38Å; T70-T72 VanDerWaalsContact C-N 3.25Å; T70-T72 PolarHBondContact O-N 3.41Å
73N84.7Confident89.7Confident130 Ų13053.7 Ų53.770%0.69530%0.303SS*.THydrogen-bonded Turntrans-123.625.1179-65-37.5000112.1A71A71-N73 VanDerWaalsContact C-N 3.27Å; A71-N73 PolarHBondContact O-N 3.49Å
74A90.8Very high89.7Confident10 Ų1055.3 Ų55.38%0.08331%0.309CS..  trans-60.5140.6178.500000110.6L25 V52 L60 A71L25-A74 HydrophobicContact CD2-CB 3.99Å; V52-A74 HydrophobicContact CB-CB 4.32Å; V52-A74 HydrophobicContact CG2-CB 3.68Å; V52-A74 VanDerWaalsContact CG2-O 3.29Å; V52-A74 WeakPolarHBondContact CG2-O 3.2Å; V52-A74 PolarHBondContact N-O 2.85Å; V52-A74 VanDerWaalsContact N-O 3.07Å; L60-A74 HydrophobicContact CD1-CB 4.22Å; A71-A74 PolarHBondContact O-N 2.9Å
75M94.3Very high89.7Confident51 Ų5153.1 Ų53.125%0.25128%0.281SS..EExtended strand (participates in β ladder)trans-120.5135.5176.1-68-177.966.900109.1A26 F41 K49 R50 L51A26-M75 HydrophobicContact CB-CB 3.84Å; A26-M75 WeakPolarHBondContact CB-O 3.27Å; A26-M75 PolarHBondContact N-O 3.34Å; F41-M75 HydrophobicContact CE2-CE 4.2Å; F41-M75 HydrophobicContact CE2-SD 4.22Å; F41-M75 HydrophobicContact CZ-CE 3.99Å; F41-M75 HydrophobicContact CZ-SD 4.36Å; K49-M75 HydrophobicContact CB-CE 3.75Å; K49-M75 HydrophobicContact CD-CE 3.62Å; K49-M75 HydrophobicContact CG-CE 3.56Å; R50-M75 CarbonylContact O-C 3.52Å; R50-M75 WeakPolarHBondContact O-CA 3.46Å; L51-M75 HydrophobicContact CD2-CG 3.71Å; L51-M75 HydrophobicContact CG-CG 4.45Å
76L95.9Very high89.6Confident0 Ų051.7 Ų51.70%027%0.274CS..EExtended strand (participates in β ladder)trans-94.3142.3177-57.3175.8000110F14 L16 F23 Y24 L25 W48 K49 R50 V52F14-L76 HydrophobicContact CE2-CD2 4.01Å; F14-L76 HydrophobicContact CZ-CD2 3.7Å; L16-L76 HydrophobicContact CD1-CD1 3.48Å; L16-L76 VanDerWaalsContact CD1-CD1 3.48Å; L16-L76 HydrophobicContact CD1-CD2 4.43Å; F23-L76 HydrophobicContact CB-CB 4.27Å; F23-L76 HydrophobicContact CB-CD2 4.18Å; F23-L76 HydrophobicContact CD1-CB 3.92Å; F23-L76 HydrophobicContact CD1-CD1 4.48Å; F23-L76 HydrophobicContact CD2-CD1 4.47Å; F23-L76 HydrophobicContact CG-CB 4.19Å; F23-L76 HydrophobicContact CG-CD1 4.29Å; Y24-L76 WeakPolarHBondContact O-CA 3.3Å; L25-L76 HydrophobicContact CD2-CD2 4.24Å; W48-L76 HydrophobicContact CZ3-CB 4.3Å; K49-L76 VanDerWaalsContact CA-O 3.3Å; K49-L76 WeakPolarHBondContact CA-O 3.32Å; R50-L76 PolarHBondContact N-O 3.05Å; R50-L76 VanDerWaalsContact N-O 3.14Å; R50-L76 PolarHBondContact O-N 2.85Å; V52-L76 HydrophobicContact CG2-CD1 4.15Å; V52-L76 HydrophobicContact CG2-CD2 3.77Å; V52-L76 HydrophobicContact CG2-CG 3.64Å
77L96.8Very high89.6Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-121.9141.6171.1-53.2177.5000108.2F23 Y24 A26 V29 L40 F41 L47 W48 K49 V82F23-L77 CarbonylContact C-O 3.58Å; F23-L77 WeakPolarHBondContact CA-O 3.49Å; Y24-L77 PolarHBondContact N-O 3.31Å; Y24-L77 PolarHBondContact O-N 3.2Å; A26-L77 HydrophobicContact CB-CD1 3.84Å; A26-L77 HydrophobicContact CB-CD2 4.07Å; A26-L77 HydrophobicContact CB-CG 3.84Å; V29-L77 HydrophobicContact CB-CD1 3.86Å; V29-L77 HydrophobicContact CG1-CD1 4.03Å; V29-L77 HydrophobicContact CG2-CD1 3.95Å; L40-L77 HydrophobicContact CD2-CD1 3.74Å; F41-L77 HydrophobicContact CE1-CD2 3.68Å; F41-L77 HydrophobicContact CZ-CD2 4.06Å; L47-L77 HydrophobicContact CD2-CD1 4.12Å; L47-L77 HydrophobicContact CD2-CD2 4.1Å; L47-L77 HydrophobicContact CG-CD2 4.24Å; W48-L77 WeakPolarHBondContact O-CD2 3.31Å; K49-L77 HydrophobicContact CB-CD2 3.75Å; L77-V82 HydrophobicContact CB-CG2 3.75Å; L77-V82 HydrophobicContact CD1-CG2 4.01Å
78R96.6Very high89.4Confident56 Ų5654.5 Ų54.521%0.21129%0.288CS..EExtended strand (participates in β ladder)trans-69.2133.2175.1-80163.4158.8-168.6-1.1110.2E21 F23 W48 Y80 E81 V82E21-R78 IonicContact OE1-CZ 3.7Å; E21-R78 IonicContact OE1-NE 2.67Å; E21-R78 IonicContact OE1-NH2 2.98Å; E21-R78 PolarHBondContact OE1-NH2 3.47Å; E21-R78 IonicContact OE2-CZ 3.07Å; E21-R78 IonicContact OE2-NE 2.64Å; E21-R78 PolarHBondContact OE2-NE 2.83Å; E21-R78 IonicContact OE2-NH2 3.19Å; E21-R78 PolarHBondContact OE2-NH2 3.47Å; F23-R78 HydrophobicContact CD1-CG 4.39Å; F23-R78 HydrophobicContact CE1-CG 4.03Å; W48-R78 HydrophobicContact CD2-CG 3.92Å; W48-R78 HydrophobicContact CE3-CB 4.33Å; W48-R78 HydrophobicContact CE3-CG 3.6Å; W48-R78 HydrophobicContact CG-CG 4.4Å; W48-R78 HydrophobicContact CZ3-CG 4Å; R78-Y80 VanDerWaalsContact C-N 3.31Å; R78-Y80 HydrophobicContact CB-CD1 3.93Å; R78-Y80 HydrophobicContact CB-CE1 3.6Å; R78-Y80 VanDerWaalsContact CD-OH 3.27Å; R78-Y80 WeakPolarHBondContact CD-OH 3.47Å; R78-Y80 HydrophobicContact CG-CE1 3.88Å; R78-Y80 PolarHBondContact NH1-OH 2.98Å; R78-Y80 PolarHBondContact O-N 2.86Å; R78-E81 PolarHBondContact O-N 3.1Å; R78-V82 PolarHBondContact O-N 3.1Å
79T95.4Very high89.1Confident16 Ų1651.9 Ų51.910%0.09827%0.268CS..Hα-helixtrans-62-37.9-17649.80000113E13 Y22 Y24 E81 V82 N83E13-T79 HydrophobicContact CB-CG2 3.69Å; Y22-T79 WeakPolarHBondContact CB-OG1 3.36Å; Y22-T79 PolarHBondContact O-N 2.81Å; Y22-T79 PolarHBondContact O-OG1 2.67Å; Y24-T79 HydrophobicContact CD2-CG2 3.7Å; Y24-T79 HydrophobicContact CE1-CG2 4.49Å; Y24-T79 HydrophobicContact CE2-CG2 3.68Å; Y24-T79 HydrophobicContact CG-CG2 4.14Å; T79-E81 PolarHBondContact O-N 3.36Å; T79-V82 PolarHBondContact O-N 3.36Å; T79-N83 VanDerWaalsContact O-CB 3.28Å; T79-N83 WeakPolarHBondContact O-CB 3.31Å; T79-N83 PolarHBondContact O-N 3.09Å; T79-N83 PolarHBondContact O-ND2 3.26Å
80Y93.5Very high89Confident104 Ų10448 Ų4841%0.40825%0.249SC..Hα-helixtrans-62.6-42.5-176.969.9-96.9000112.3R78 N83 E84R78-Y80 VanDerWaalsContact C-N 3.31Å; R78-Y80 HydrophobicContact CB-CD1 3.93Å; R78-Y80 HydrophobicContact CB-CE1 3.6Å; R78-Y80 VanDerWaalsContact CD-OH 3.27Å; R78-Y80 WeakPolarHBondContact CD-OH 3.47Å; R78-Y80 HydrophobicContact CG-CE1 3.88Å; R78-Y80 PolarHBondContact NH1-OH 2.98Å; R78-Y80 PolarHBondContact O-N 2.86Å; Y80-N83 PolarHBondContact O-N 2.91Å; Y80-E84 WeakPolarHBondContact O-CG 3.37Å; Y80-E84 PolarHBondContact O-N 3.2Å
81E95Very high88.7Confident40 Ų4051.7 Ų51.719%0.18725%0.254CS..Hα-helixtrans-67.2-39.9177.4-59.2-172-169.800111.8L47 W48 R78 T79 E84 I85L47-E81 HydrophobicContact CD1-CB 3.7Å; L47-E81 WeakPolarHBondContact CD1-OE2 3.48Å; W48-E81 WeakPolarHBondContact CB-OE2 3.15Å; W48-E81 PolarHBondContact N-OE2 2.84Å; R78-E81 PolarHBondContact O-N 3.1Å; T79-E81 PolarHBondContact O-N 3.36Å; E81-E84 PolarHBondContact O-N 2.71Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.45Å; E81-I85 PolarHBondContact O-N 3.29Å
82V94Very high87.9Confident1 Ų156.1 Ų56.11%0.00628%0.277CS..Hα-helixtrans-68.7-40178.3176.20000111Y24 V29 L47 L77 R78 T79 I85 I86Y24-V82 HydrophobicContact CD2-CB 3.69Å; Y24-V82 HydrophobicContact CD2-CG1 3.66Å; Y24-V82 HydrophobicContact CD2-CG2 4.06Å; Y24-V82 HydrophobicContact CE2-CB 3.95Å; Y24-V82 HydrophobicContact CE2-CG1 3.82Å; V29-V82 HydrophobicContact CB-CG1 4.46Å; V29-V82 HydrophobicContact CG1-CG1 3.7Å; V29-V82 HydrophobicContact CG1-CG2 4.3Å; V29-V82 HydrophobicContact CG2-CG1 3.84Å; V29-V82 HydrophobicContact CG2-CG2 4.32Å; L47-V82 HydrophobicContact CD1-CG2 4.35Å; L77-V82 HydrophobicContact CB-CG2 3.75Å; L77-V82 HydrophobicContact CD1-CG2 4.01Å; R78-V82 PolarHBondContact O-N 3.1Å; T79-V82 PolarHBondContact O-N 3.36Å; V82-I85 WeakPolarHBondContact O-CB 3.33Å; V82-I85 PolarHBondContact O-N 2.9Å; V82-I86 HydrophobicContact CG1-CD1 3.83Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 3.39Å
83N93.2Very high86.9Confident50 Ų5053.9 Ų53.927%0.26727%0.266SS..Hα-helixtrans-66.3-37.4177.7-73.7-27.6000111.4Y24 T79 Y80 I86 C87Y24-N83 PolarHBondContact OH-OD1 2.99Å; Y24-N83 VanDerWaalsContact OH-OD1 3.04Å; T79-N83 VanDerWaalsContact O-CB 3.28Å; T79-N83 WeakPolarHBondContact O-CB 3.31Å; T79-N83 PolarHBondContact O-N 3.09Å; T79-N83 PolarHBondContact O-ND2 3.26Å; Y80-N83 PolarHBondContact O-N 2.91Å; N83-I86 PolarHBondContact O-N 3.22Å; N83-C87 VanDerWaalsContact O-CB 3.27Å; N83-C87 WeakPolarHBondContact O-CB 3.44Å; N83-C87 PolarHBondContact O-N 2.93Å
84E91Very high85.7Confident125 Ų12553 Ų5358%0.58426%0.261SS*.Hα-helixtrans-60.5-47170.3-76179.4-179.400111.4Y80 E81 I86 C87 D88Y80-E84 WeakPolarHBondContact O-CG 3.37Å; Y80-E84 PolarHBondContact O-N 3.2Å; E81-E84 PolarHBondContact O-N 2.71Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 3.03Å; E84-C87 PolarHBondContact O-N 3.07Å; E84-D88 WeakPolarHBondContact O-CB 3.5Å; E84-D88 PolarHBondContact O-N 3.2Å
85I90.2Very high84.3Confident20 Ų2058.3 Ų58.310%0.10329%0.287CS..Hα-helixtrans-59.3-44.1176.9-71.5166.1000112L33 Y44 L47 E81 V82 Q89L33-I85 HydrophobicContact CD1-CG2 4.03Å; Y44-I85 HydrophobicContact CD1-CD1 3.69Å; Y44-I85 HydrophobicContact CD1-CG1 3.9Å; Y44-I85 HydrophobicContact CD2-CD1 4.07Å; Y44-I85 HydrophobicContact CD2-CG2 4.47Å; Y44-I85 HydrophobicContact CE1-CB 4.45Å; Y44-I85 HydrophobicContact CE1-CD1 4.05Å; Y44-I85 HydrophobicContact CE1-CG1 3.81Å; Y44-I85 HydrophobicContact CE1-CG2 3.88Å; Y44-I85 HydrophobicContact CE2-CD1 4.4Å; Y44-I85 HydrophobicContact CE2-CG2 3.76Å; Y44-I85 HydrophobicContact CG-CD1 3.71Å; Y44-I85 HydrophobicContact CG-CG1 4.4Å; Y44-I85 VanDerWaalsContact CZ-CG2 3.43Å; Y44-I85 WeakPolarHBondContact OH-CG2 3.49Å; L47-I85 HydrophobicContact CD1-CD1 3.87Å; L47-I85 HydrophobicContact CD2-CD1 4.4Å; E81-I85 VanDerWaalsContact O-CG1 3.3Å; E81-I85 WeakPolarHBondContact O-CG1 3.45Å; E81-I85 PolarHBondContact O-N 3.29Å; V82-I85 WeakPolarHBondContact O-CB 3.33Å; V82-I85 PolarHBondContact O-N 2.9Å; I85-Q89 WeakPolarHBondContact O-CG 3.26Å; I85-Q89 PolarHBondContact O-N 3.04Å; I85-Q89 VanDerWaalsContact O-N 3.11Å
86I88.1Confident82.4Confident11 Ų1161.6 Ų61.66%0.05630%0.3CS..Hα-helixtrans-63.9-47.4178.8-69.9167000109.6R6 Y32 L33 V82 N83 E84 D88 Q89 D90R6-I86 PolarHBondContact NH2-O 3.06Å; Y32-I86 HydrophobicContact CD1-CD1 4.19Å; Y32-I86 HydrophobicContact CE1-CD1 3.94Å; Y32-I86 HydrophobicContact CE1-CG1 4.21Å; Y32-I86 HydrophobicContact CE1-CG2 4.42Å; L33-I86 HydrophobicContact CD2-CG1 4Å; V82-I86 HydrophobicContact CG1-CD1 3.83Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 3.39Å; N83-I86 PolarHBondContact O-N 3.22Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 3.03Å; I86-D88 PolarHBondContact O-N 3.39Å; I86-Q89 PolarHBondContact O-N 3.5Å; I86-D90 PolarHBondContact O-N 3.04Å
87C85.9Confident80.3Confident51 Ų5164.6 Ų64.635%0.34532%0.321SS..Hα-helixtrans-62.9-42-179.9-171.10000112.5N83 E84 D90 R91N83-C87 VanDerWaalsContact O-CB 3.27Å; N83-C87 WeakPolarHBondContact O-CB 3.44Å; N83-C87 PolarHBondContact O-N 2.93Å; E84-C87 PolarHBondContact O-N 3.07Å; C87-D90 PolarHBondContact O-N 3.08Å; C87-R91 WeakPolarHBondContact O-CG 3.46Å; C87-R91 PolarHBondContact O-N 3.02Å
88D83.4Confident77.8Confident93 Ų9366.4 Ų66.450%0.49734%0.339SS..Hα-helixtrans-66.9-36.6178-77.9-12.8000112.2E84 I86 R91 L92E84-D88 WeakPolarHBondContact O-CB 3.5Å; E84-D88 PolarHBondContact O-N 3.2Å; I86-D88 PolarHBondContact O-N 3.39Å; D88-R91 IonicContact OD1-NH1 3.59Å; D88-L92 VanDerWaalsContact O-CB 3.3Å; D88-L92 WeakPolarHBondContact O-CB 3.36Å; D88-L92 PolarHBondContact O-N 3.14Å
89Q76.7Confident75.4Confident32 Ų3270.6 Ų70.615%0.1536%0.361CS..Hα-helixtrans-66.7-38.2173-76.3-174.8-2.400112.3Y44 I85 I86 L92 A93Y44-Q89 PolarHBondContact OH-NE2 3.01Å; I85-Q89 WeakPolarHBondContact O-CG 3.26Å; I85-Q89 PolarHBondContact O-N 3.04Å; I85-Q89 VanDerWaalsContact O-N 3.11Å; I86-Q89 PolarHBondContact O-N 3.5Å; Q89-L92 PolarHBondContact O-N 3.36Å; Q89-A93 PolarHBondContact O-N 2.85Å
90D76.6Confident72.8Confident64 Ų6477 Ų7734%0.34240%0.395SS..Hα-helixtrans-66.4-45.2176.5-64.5-24.2000110.3R6 I86 C87 L92 A93 D94R6-D90 IonicContact CZ-OD1 2.67Å; R6-D90 IonicContact NH2-OD1 3.75Å; R6-D90 PolarHBondContact NH2-OD1 3.2Å; R6-D90 IonicContact NH2-OD2 2.67Å; I86-D90 PolarHBondContact O-N 3.04Å; C87-D90 PolarHBondContact O-N 3.08Å; D90-L92 PolarHBondContact O-N 3.43Å; D90-A93 WeakPolarHBondContact O-CB 3.37Å; D90-A93 PolarHBondContact O-N 2.64Å; D90-D94 PolarHBondContact O-N 2.99Å
91R74.8Confident70Confident160 Ų16078.8 Ų78.860%0.60441%0.409SS*.Hα-helixtrans-60.9-40.2173.5-73174.8178163.7-0.6113C87 D88 A93 D94 L95C87-R91 WeakPolarHBondContact O-CG 3.46Å; C87-R91 PolarHBondContact O-N 3.02Å; D88-R91 IonicContact OD1-NH1 3.59Å; R91-A93 VanDerWaalsContact C-N 3.29Å; R91-A93 PolarHBondContact O-N 3.15Å; R91-D94 PolarHBondContact O-N 3.32Å; R91-L95 WeakPolarHBondContact O-CB 3.2Å; R91-L95 PolarHBondContact O-N 2.85Å
92L67.2Low67.1Low94 Ų9481.9 Ų81.949%0.49244%0.435SS..Hα-helixtrans-65.9-35.2178.4-170.973.1000111.3D88 Q89 D90 L95 K96D88-L92 VanDerWaalsContact O-CB 3.3Å; D88-L92 WeakPolarHBondContact O-CB 3.36Å; D88-L92 PolarHBondContact O-N 3.14Å; Q89-L92 PolarHBondContact O-N 3.36Å; D90-L92 PolarHBondContact O-N 3.43Å; L92-L95 PolarHBondContact O-N 3.06Å; L92-K96 WeakPolarHBondContact O-CB 3.41Å; L92-K96 WeakPolarHBondContact O-CG 3.47Å; L92-K96 PolarHBondContact O-N 3.17Å
93A60.7Low64.2Low24 Ų2491 Ų9120%0.19848%0.475CS..Hα-helixtrans-68.2-40.3174.700000111.8V4 Q89 D90 R91 S97V4-A93 HydrophobicContact CG2-CB 3.17Å; Q89-A93 PolarHBondContact O-N 2.85Å; D90-A93 WeakPolarHBondContact O-CB 3.37Å; D90-A93 PolarHBondContact O-N 2.64Å; R91-A93 VanDerWaalsContact C-N 3.29Å; R91-A93 PolarHBondContact O-N 3.15Å; A93-S97 PolarHBondContact O-N 3.34Å
94D60.9Low60.9Low110 Ų11096.1 Ų96.159%0.58850%0.502SS*.Hα-helixtrans-63.1-43.7173.4-67.8-24.1000111.4D90 R91 S97 G98D90-D94 PolarHBondContact O-N 2.99Å; R91-D94 PolarHBondContact O-N 3.32Å; D94-S97 WeakPolarHBondContact O-CB 3.1Å; D94-S97 PolarHBondContact O-N 3.38Å; D94-S97 PolarHBondContact O-OG 2.75Å; D94-G98 PolarHBondContact O-N 3.46Å; D94-G98 VanDerWaalsContact O-N 3.08Å
95L60.7Low57.8Low122 Ų12295.9 Ų95.964%0.63951%0.513SS*.Hα-helixtrans-66.6-41.8-179.7-138.676.2000112.8R91 L92 S97 G98 E99R91-L95 WeakPolarHBondContact O-CB 3.2Å; R91-L95 PolarHBondContact O-N 2.85Å; L92-L95 PolarHBondContact O-N 3.06Å; L95-S97 PolarHBondContact O-N 2.96Å; L95-G98 PolarHBondContact O-N 3Å; L95-E99 PolarHBondContact O-N 2.78Å
96K53.9Low54.7Low120 Ų12099.7 Ų99.752%0.52254%0.541SS..Hα-helixtrans-63.8-31.7174-76.1-178.1176.1-170.70112.3L92 G98L92-K96 WeakPolarHBondContact O-CB 3.41Å; L92-K96 WeakPolarHBondContact O-CG 3.47Å; L92-K96 PolarHBondContact O-N 3.17Å; K96-G98 VanDerWaalsContact C-N 3.31Å
97S52.2Low51.9Low64 Ų64104.4 Ų104.445%0.44858%0.575SS.*Hα-helixtrans-69.8-29.9172.682.10000112.6A93 D94 L95A93-S97 PolarHBondContact O-N 3.34Å; D94-S97 WeakPolarHBondContact O-CB 3.1Å; D94-S97 PolarHBondContact O-N 3.38Å; D94-S97 PolarHBondContact O-OG 2.75Å; L95-S97 PolarHBondContact O-N 2.96Å
98G43.7Very low48.9Very low37 Ų37107.3 Ų107.338%0.38160%0.597SS.*Hα-helixtrans-77.4-36.4177.200000114.8D94 L95 K96 L100 I101D94-G98 PolarHBondContact O-N 3.46Å; D94-G98 VanDerWaalsContact O-N 3.08Å; L95-G98 PolarHBondContact O-N 3Å; K96-G98 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 3.25Å; G98-I101 PolarHBondContact O-N 3.31Å; G98-I101 VanDerWaalsContact O-N 3.15Å
99E47.2Very low46.2Very low144 Ų144108.4 Ų108.467%0.67361%0.611SS**Hα-helixtrans-66.6-24.2178-80.1-173.7150.700113.3L95 I101 S102L95-E99 PolarHBondContact O-N 2.78Å; E99-I101 PolarHBondContact O-N 3.33Å; E99-S102 PolarHBondContact O-N 2.63Å
100L40.9Very low43.7Very low152 Ų152113.7 Ų113.780%0.79664%0.641SS**THydrogen-bonded Turntrans-70.6-9.4174.9-74.2168.8000113.7G98G98-L100 PolarHBondContact O-N 3.25Å
101I33.8Very low41.5Very low140 Ų140117.5 Ų117.572%0.71866%0.661SS**THydrogen-bonded Turntrans-93.1-11.8176.6-56.9-179.4000112.1G98 E99G98-I101 PolarHBondContact O-N 3.31Å; G98-I101 VanDerWaalsContact O-N 3.15Å; E99-I101 PolarHBondContact O-N 3.33Å
102S34.7Very low39.2Very low105 Ų105117.1 Ų117.173%0.73467%0.67SS**SBendtrans-10922.4-171.9-59.80000115.7E99E99-S102 PolarHBondContact O-N 2.63Å
103K31.5Very low37Very low194 Ų194118.9 Ų118.984%0.84368%0.68SS**  trans-123.841.7176.2-110.5178-175.81700114.2
104D24.9Very low35.6Very low156 Ų156126.5 Ų126.583%0.83471%0.714SS**  trans-104.293.8152.1-79.7-33.3000108.3
105C25.5Very low33.8Very low120 Ų120128 Ų12881%0.81172%0.722SS**  trans175.4119.7143.6-104.90000112.7
106S26.2Very low32.5Very low100 Ų100128 Ų12870%0.69973%0.732SS**  trans81.9103133.6-46.80000120.1
107S27.4Very low31.2Very low110 Ų110126.8 Ų126.877%0.76974%0.739SS**  83.4111.2121.8-540000120.3
108S23.2Very low30Very low113 Ų113129.3 Ų129.379%0.7975%0.747SS**  41114.7127.7-57.50000119.1
109S28.1Very low29.6Very low115 Ų115136.5 Ų136.580%0.80478%0.776SS**  176134.7106.9-77.40000112.8
110N24.5Very low28.5Very low144 Ų144139.5 Ų139.577%0.7778%0.781SS**  trans-12.5131.7152.8-57-30.7000117
111N29Very low27.6Very low143 Ų143138.7 Ų138.777%0.76578%0.777SS**  176.6127.3114.2-91.5-35.6000113.5
112L26.3Very low27.2Very low152 Ų152142.4 Ų142.480%0.79679%0.789SS**  trans50.1110.6132.8-59.8167.2000120.5
113N21.7Very low26.7Very low132 Ų132144.1 Ų144.171%0.70679%0.79SS**  29.6111123-164.315.8000118.2
114M31.2Very low26.7Very low183 Ų183140.1 Ų140.190%0.90179%0.786SS**  trans-135.7112.4150-91.6-69.7174.100110.1
115N22.9Very low26.6Very low142 Ų142139.6 Ų139.676%0.75978%0.784SS**  trans-58.8136.1156.6-88.6-26000110
116S33.9Very low26.8Very low123 Ų123138.8 Ų138.886%0.8679%0.786SS**  trans-142.5120.4140.966.70000109.6
117S27Very low26.8Very low94 Ų94139.9 Ų139.966%0.65779%0.788SS**  trans-96.4159175.344.60000109.9
118N26.6Very low27.4Very low116 Ų116139.6 Ų139.662%0.6278%0.784SS**  trans88.5100.3161.6-49.3-64.2000117.6
119L34.5Very low27.5Very low188 Ų188144.5 Ų144.598%0.98479%0.791SS**  -121.1111.1127.7-99.195.9000109.3
120R24.3Very low27.2Very low207 Ų207145 Ų14578%0.78179%0.788SS**  trans-92.2150.8174-82.4180175.6173.8-2.2110.2
121N22.7Very low27.3Very low135 Ų135143.8 Ų143.872%0.72279%0.791SS**  trans59.3118.1143.3-69.226.3000119.5
122F26Very low27.1Very low218 Ų218141.6 Ų141.696%0.95679%0.794SS**  -141.5112.9119.7-101-82.9000109.3
123N23.1Very low27.1Very low141 Ų141138 Ų13875%0.75479%0.793SS**  trans-118.9119.9168.4-168.412.1000106.3
124S31.4Very low27.1Very low110 Ų110141.4 Ų141.477%0.76980%0.802SS**  trans-119.998.2175.855.40000109.1
125N23.6Very low26.7Very low146 Ų146137 Ų13778%0.78179%0.794SS**  trans-67.7132.6163.6-98.1-9.8000110
126A29.9Very low26.9Very low103 Ų103136 Ų13685%0.85180%0.799SS**  trans-126.7111159.800000109.3
127T24.9Very low26.3Very low122 Ų122137.5 Ų137.575%0.74880%0.802SS**  trans-109.5-176.9162.853.30000107.6
128P41.3Very low26.2Very low105 Ų105136.2 Ų136.268%0.68280%0.804SS**  cis-128.7174.6-30.823-1.7000111.4
129K24.2Very low26Very low215 Ų215141.5 Ų141.594%0.93582%0.816SS**  trans-148.7126.7147.4-110172.3-170.4179.30111.5
130V23.2Very low25.4Very low125 Ų125138.1 Ų138.176%0.75880%0.803SS**  trans-99140.7-176.3174.90000109.1
131S26.3Very low25.3Very low119 Ų119133 Ų13383%0.83280%0.799SS**  trans-161.398.7156-69.80000106.2
132A23.7Very low25.4Very low98 Ų98135.1 Ų135.181%0.8181%0.809SS**  59.5101.283.800000113.1
133G27.1Very low25.3Very low77 Ų77127.6 Ų127.679%0.79479%0.793SS**  trans-161.8118.1171.500000110.2
134F22.2Very low25.2Very low202 Ų202126.4 Ų126.489%0.88680%0.796SS**  trans-78146.9-163.2-91.4-105.6000115.6
135A22.4Very low25.1Very low90 Ų90127.4 Ų127.474%0.74480%0.802SS**  trans26.8128134.400000121.2
136S27.2Very low25.1Very low123 Ų123126.3 Ų126.386%0.8680%0.802SS**  -162.9124.1119.459.10000111.8
137V20.5Very low24.9Very low153 Ų153129.7 Ų129.793%0.92781%0.805SS**  trans-85141.6169.9166.20000109.2
138G24.6Very low24.8Very low67 Ų67129.3 Ų129.369%0.69181%0.808SS**  trans-170.398.5170.500000115.4
139R23.8Very low24.2Very low228 Ų228129.2 Ų129.286%0.8682%0.816SS**  trans61.2105.8138.1-74.7178.4155.1-165.5-7.2119.6
140T22.2Very low24.2Very low117 Ų117125 Ų12572%0.71881%0.808SS**  67.7105.688.462.10000116.3
141S22.2Very low24.1Very low99 Ų99124.3 Ų124.369%0.69281%0.809SS**  trans40.3128.2130.564.20000120.3
142L24Very low24.3Very low179 Ų179123.9 Ų123.994%0.93781%0.812SS**  178140.4123-96.9143.3000112.4
143G22.7Very low24.2Very low60 Ų60124.6 Ų124.662%0.61981%0.807SS**  trans92.997.2146.100000116.4
144S23Very low24.1Very low117 Ų117128.4 Ų128.482%0.81881%0.808SS**  69109.481.169.40000114.2
145S27.7Very low24.5Very low130 Ų130124.1 Ų124.191%0.90980%0.801SS**  trans-155.6111.9144.6-780000109.3
146T23.4Very low24.6Very low124 Ų124123.2 Ų123.276%0.76180%0.8SS**  trans-64.6139.8167470000110.5
147N26.8Very low24.6Very low174 Ų174124.5 Ų124.593%0.9380%0.802SS**  trans-137.8105.6149.8-96.5-17.7000108.8
148S21.7Very low24.7Very low114 Ų114125.6 Ų125.680%0.79780%0.799SS**  trans-77130.5164.9-600000108.5
149A30.5Very low24.8Very low103 Ų103130.1 Ų130.185%0.85181%0.807SS**  trans-135.4131.9158.700000108.6
150T22.3Very low24.8Very low126 Ų126124.4 Ų124.477%0.77380%0.798SS**  trans-94.4156.7-160.745.30000113.2
151S21.9Very low24.9Very low111 Ų111124.4 Ų124.478%0.77680%0.803SS**  trans60.8113.2142.9-65.90000120.1
152A31.2Very low24.9Very low109 Ų109123.4 Ų123.490%0.90181%0.808SS**  -150.9139.2125.700000109.2
153T21.4Very low25.2Very low114 Ų114119.9 Ų119.970%0.69981%0.805SS**  trans-124.9140.2-160.1-67.90000109.1
154L24.9Very low25.2Very low156 Ų156124 Ų12482%0.81781%0.811SS**  trans72161.8159.1-73165.6000120
155P30.7Very low25.3Very low113 Ų113126.3 Ų126.373%0.73482%0.815SS**  cis-134.5156.5-14.326.1-4.2000116.5
156G23.2Very low25.1Very low70 Ų70127.4 Ų127.472%0.72281%0.805SS**  55119.3127.600000122.3
157V28.4Very low25.1Very low150 Ų150127.3 Ų127.391%0.90980%0.804SS**  -148.2127.7119.6172.70000108.1
158M22.1Very low25.1Very low176 Ų176125.6 Ų125.687%0.86780%0.8SS**  trans-69.9139171.5-71163.2150.600110.7
159N27.7Very low25.2Very low162 Ų162124.6 Ų124.687%0.86680%0.799SS**  trans-143.4140.4141-144.217.7000110.6
160T22.4Very low25Very low109 Ų109125.6 Ų125.667%0.66980%0.8SS**  trans-93.2164.1-15846.40000113.8
161S25.8Very low25.2Very low116 Ų116123.2 Ų123.281%0.81180%0.801SS**  trans81115.5158.4-44.30000114.3
162G22.1Very low25.4Very low78 Ų78124.4 Ų124.480%0.80480%0.798SS**  cis103.981.231.300000109
163A29.2Very low25.2Very low105 Ų105128.8 Ų128.887%0.86880%0.797SS**  trans-151.6106.1158.600000107.4
164I23.3Very low25.5Very low147 Ų147132 Ų13275%0.75480%0.802SS**  trans-100.9123.7179.4-49.7162.8000103.8
165D25.6Very low25.6Very low166 Ų166129.3 Ų129.389%0.88880%0.796SS**  trans-143.7137.3156.7-110.6-28000111.5
166H23Very low25.3Very low153 Ų153134.9 Ų134.971%0.70880%0.802SS**  trans-82.2146.4-169.4-73.1-100.6000111.6
167T23.2Very low25.4Very low122 Ų122142.1 Ų142.175%0.74881%0.808SS**  141.2141.8117.757.30000115.2
168T25.8Very low25.3Very low137 Ų137141.1 Ų141.184%0.8480%0.797SS**  trans85.7105.1158.363.80000120.7
169A23.8Very low25.7Very low94 Ų94137.8 Ų137.878%0.77779%0.791SS**  trans-27.4134.6153.400000116.8
170S28.2Very low25.7Very low123 Ų123140.3 Ų140.386%0.8679%0.789SS**  trans-159.3135.8137-84.10000109.7N172S170-N172 PolarHBondContact O-N 2.98Å
171G25.8Very low26.2Very low77 Ų77146.8 Ų146.879%0.79480%0.801SS**  trans-61.3128.3-16500000114.1F173G171-F173 PolarHBondContact O-N 3.1Å
172N25.1Very low26.3Very low135 Ų135149.6 Ų149.672%0.72281%0.806SS**  trans-95.488.6174.6-152.316.2000109.2S170 K174S170-N172 PolarHBondContact O-N 2.98Å; N172-K174 VanDerWaalsContact C-N 3.32Å; N172-K174 PolarHBondContact O-N 2.66Å
173F26.9Very low26.8Very low201 Ų201149.4 Ų149.488%0.88280%0.804SS**  trans-63.396.6160.9-91.9-90000107.6G171 S175G171-F173 PolarHBondContact O-N 3.1Å; F173-S175 PolarHBondContact O-N 2.67Å
174K28.1Very low26.8Very low183 Ų183151.3 Ų151.380%0.79681%0.805SS**  trans-70.181.4170.3-74.6179.7176.3173.80108.7N172 R176N172-K174 VanDerWaalsContact C-N 3.32Å; N172-K174 PolarHBondContact O-N 2.66Å; K174-R176 PolarHBondContact O-N 2.93Å
175S27Very low27.1Very low99 Ų99146.7 Ų146.769%0.69279%0.793SS**  trans-60.7116164.1175.50000108.3F173 R177F173-S175 PolarHBondContact O-N 2.67Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 2.73Å
176R24.8Very low27.5Very low229 Ų229142.9 Ų142.986%0.86478%0.779SS**  trans-65.388.6176.3-167.2178.1-178.4179.5-0.2107.9K174 D178K174-R176 PolarHBondContact O-N 2.93Å; R176-D178 PolarHBondContact O-N 3.14Å; R176-D178 VanDerWaalsContact O-N 3.17Å
177R26.4Very low28.3Very low223 Ų223140.8 Ų140.884%0.84278%0.778SS**  trans-73.3103.6169.4-81.8-175.9175151.8-0.8108S175 S179S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 2.73Å; R177-S179 VanDerWaalsContact C-N 3.31Å; R177-S179 PolarHBondContact O-N 3.36Å
178D24.5Very low29.5Very low129 Ų129136.9 Ų136.969%0.6975%0.754SS**  trans-54.998.1158.2-85.9-41.4000108.4R176 R180R176-D178 PolarHBondContact O-N 3.14Å; R176-D178 VanDerWaalsContact O-N 3.17Å; D178-R180 PolarHBondContact O-N 2.98Å
179S31.3Very low31.1Very low106 Ų106133.8 Ų133.874%0.74173%0.732SS**  trans-69.379.9168.6-64.70000109.2R177 W181R177-S179 VanDerWaalsContact C-N 3.31Å; R177-S179 PolarHBondContact O-N 3.36Å; S179-W181 PolarHBondContact O-N 2.68Å
180R28.6Very low33.2Very low215 Ų215130.6 Ų130.681%0.81170%0.703SS**  trans-76.296.6158.6-70.4-173.7-160167.86.4107.8D178 L182D178-R180 PolarHBondContact O-N 2.98Å; R180-L182 PolarHBondContact O-N 3.15Å
181W32.4Very low35.5Very low245 Ų245125.6 Ų125.693%0.92867%0.668SS**  trans-7.891.2157.1-64.985.6000115.9S179S179-W181 PolarHBondContact O-N 2.68Å
182L27.8Very low38.1Very low175 Ų175124.5 Ų124.592%0.91664%0.642SS**  trans-129.885.9149.4-73.1174.3000106.2R180R180-L182 PolarHBondContact O-N 3.15Å
183G32.1Very low40.8Very low74 Ų74118.6 Ų118.676%0.76361%0.61SS**  trans-112.198.5179.100000110.1
184V29.7Very low43.4Very low145 Ų145112.4 Ų112.488%0.87959%0.586SS**  trans-47.6141.7168.9175.10000112.8
185G28.6Very low46Very low49 Ų49105.1 Ų105.151%0.50556%0.555SS.*  trans116.68.6138.100000120.8T187G185-T187 PolarHBondContact O-N 3.01Å
186S34.1Very low48.8Very low87 Ų87101.8 Ų101.861%0.60853%0.532SS*.  trans-78.8115.9169.853.80000109.7P188S186-P188 WeakPolarHBondContact O-CD 3.5Å
187T39.3Very low51.8Low109 Ų10991.1 Ų91.167%0.66949%0.492SS*.  trans-51.7128.6157.8560000106.7G185 N189G185-T187 PolarHBondContact O-N 3.01Å; T187-N189 PolarHBondContact O-N 2.79Å
188P48.4Very low54.4Low39 Ų3980.5 Ų80.525%0.25345%0.452SS..  trans-59113.8-178.7-28.339.4000107.7S186 T190 Q297 A301S186-P188 WeakPolarHBondContact O-CD 3.5Å; P188-T190 VanDerWaalsContact C-N 3.28Å; P188-T190 PolarHBondContact O-N 3.49Å; P188-Q297 HydrophobicContact CB-CG 4.37Å; P188-Q297 HydrophobicContact CG-CG 3.86Å; P188-A301 HydrophobicContact CB-CB 3.84Å; P188-A301 HydrophobicContact CG-CB 3.67Å
189N60Low57.4Low73 Ų7375.9 Ų75.939%0.3943%0.43SS..  trans-73.388.9-178.8-17915.2000108.1T187 S191 F192T187-N189 PolarHBondContact O-N 2.79Å; N189-S191 PolarHBondContact ND2-OG 2.89Å; N189-S191 VanDerWaalsContact ND2-OG 3.08Å; N189-S191 PolarHBondContact O-N 2.91Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CB 3.02Å; N189-S191 PolarHBondContact OD1-N 3.11Å; N189-S191 VanDerWaalsContact OD1-N 3.15Å; N189-S191 PolarHBondContact OD1-OG 3.02Å; N189-F192 WeakPolarHBondContact O-CD1 3.35Å; N189-F192 WeakPolarHBondContact O-CE1 3.42Å
190T68.3Low60.1Low26 Ų2673.8 Ų73.816%0.1641%0.413CS..G310 helixtrans-67.6-1.317856.50000113.1P188 F192 H193P188-T190 VanDerWaalsContact C-N 3.28Å; P188-T190 PolarHBondContact O-N 3.49Å; T190-F192 PolarHBondContact O-N 3.18Å; T190-F192 VanDerWaalsContact O-N 3.08Å; T190-H193 PolarHBondContact O-CD2 3.11Å; T190-H193 VanDerWaalsContact O-CD2 3.26Å; T190-H193 PolarHBondContact O-N 3.05Å
191S76.5Confident63.1Low19 Ų1965 Ų6513%0.13338%0.384CS..G310 helixtrans-63.9-14.1177.686.10000113.3N189 H193 L194N189-S191 PolarHBondContact ND2-OG 2.89Å; N189-S191 VanDerWaalsContact ND2-OG 3.08Å; N189-S191 PolarHBondContact O-N 2.91Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CB 3.02Å; N189-S191 PolarHBondContact OD1-N 3.11Å; N189-S191 VanDerWaalsContact OD1-N 3.15Å; N189-S191 PolarHBondContact OD1-OG 3.02Å; S191-H193 PolarHBondContact O-N 3.45Å; S191-H193 VanDerWaalsContact O-N 3.16Å; S191-L194 WeakPolarHBondContact O-CB 3.38Å; S191-L194 PolarHBondContact O-N 3.05Å
192F80.1Confident65.7Low54 Ų5458.6 Ų58.624%0.23737%0.374CS..G310 helixtrans-62.5-16.8175.366-108.3000113.1N189 T190 L194 D195 R244 Q298N189-F192 WeakPolarHBondContact O-CD1 3.35Å; N189-F192 WeakPolarHBondContact O-CE1 3.42Å; T190-F192 PolarHBondContact O-N 3.18Å; T190-F192 VanDerWaalsContact O-N 3.08Å; F192-L194 PolarHBondContact O-N 2.72Å; F192-D195 PolarHBondContact O-N 3.07Å; F192-R244 HydrophobicContact CD2-CB 3.99Å; F192-R244 VanDerWaalsContact CD2-CD 3.42Å; F192-R244 HydrophobicContact CD2-CG 4.34Å; F192-R244 HydrophobicContact CE2-CB 3.46Å; F192-R244 VanDerWaalsContact CE2-CB 3.46Å; F192-R244 HydrophobicContact CE2-CG 4.3Å; F192-R244 HydrophobicContact CZ-CB 4.34Å; F192-R244 PolarHBondContact O-NH1 2.95Å; F192-Q298 HydrophobicContact CZ-CG 4.46Å
193H81.4Confident68.5Low10 Ų1056.2 Ų56.25%0.04636%0.361CS..G310 helixtrans-71.8-15.2173.6-67.9-74.8000113.2T190 S191 P242 Y367 G371T190-H193 PolarHBondContact O-CD2 3.11Å; T190-H193 VanDerWaalsContact O-CD2 3.26Å; T190-H193 PolarHBondContact O-N 3.05Å; S191-H193 PolarHBondContact O-N 3.45Å; S191-H193 VanDerWaalsContact O-N 3.16Å; H193-P242 PolarHBondContact CE1-O 3.43Å; H193-Y367 AromaticContact CE1-CE2 3.55Å; H193-Y367 AromaticContact CE1-CZ 3.83Å; H193-Y367 PolarHBondContact CE1-OH 2.98Å; H193-Y367 AromaticContact ND1-CE2 3.49Å; H193-Y367 WeakPolarHBondContact ND1-CE2 3.3Å; H193-Y367 AromaticContact ND1-CZ 3.33Å; H193-Y367 VanDerWaalsContact ND1-CZ 3.33Å; H193-Y367 PolarHBondContact ND1-OH 3.15Å; H193-G371 VanDerWaalsContact CG-CA 3.47Å
194L81.6Confident70.7Confident72 Ų7254.1 Ų54.138%0.37733%0.334SS..G310 helixtrans-82.4-18.3176.3-59.1170000113.1S191 F192 Q372 W375S191-L194 WeakPolarHBondContact O-CB 3.38Å; S191-L194 PolarHBondContact O-N 3.05Å; F192-L194 PolarHBondContact O-N 2.72Å; L194-Q372 HydrophobicContact CD2-CG 3.91Å; L194-W375 HydrophobicContact CD1-CD2 3.76Å; L194-W375 HydrophobicContact CD1-CE3 4Å; L194-W375 HydrophobicContact CD1-CG 4.29Å; L194-W375 HydrophobicContact CD1-CH2 4.03Å; L194-W375 HydrophobicContact CD1-CZ2 3.84Å; L194-W375 HydrophobicContact CD1-CZ3 4.11Å; L194-W375 HydrophobicContact CD2-CD2 4.25Å; L194-W375 HydrophobicContact CD2-CE3 3.94Å; L194-W375 HydrophobicContact CD2-CZ3 4.33Å; L194-W375 HydrophobicContact CG-CD2 4.3Å; L194-W375 HydrophobicContact CG-CE3 4.45Å
195D84.1Confident72.9Confident30 Ų3058.7 Ų58.716%0.1634%0.336CS..SBendtrans-75.1159.2174.2-69.8-36.5000110.1F192 V197 N425F192-D195 PolarHBondContact O-N 3.07Å; D195-V197 PolarHBondContact O-N 3.31Å; D195-N425 PolarHBondContact OD1-ND2 3.03Å
196S85.4Confident74.4Confident29 Ų2963.5 Ų63.520%0.20335%0.349CS..PPolyproline II helixtrans-48.3143.8173.1-47.50000111.5R244 N321 Q422S196-R244 PolarHBondContact O-NH1 2.93Å; S196-R244 PolarHBondContact O-NH2 3.04Å; S196-N321 WeakPolarHBondContact CA-O 3.19Å; S196-N321 VanDerWaalsContact OG-CG 3.24Å; S196-N321 PolarHBondContact OG-ND2 3.12Å; S196-Q422 VanDerWaalsContact C-NE2 3.27Å; S196-Q422 PolarHBondContact O-NE2 3.11Å
197V87.2Confident75.4Confident4 Ų464.4 Ų64.42%0.02434%0.339CS..PPolyproline II helixtrans-67.6127.7173.6-177.80000107.7D195 C257 N321 I322 A364 Y367 Q422D195-V197 PolarHBondContact O-N 3.31Å; V197-C257 HydrophobicContact CG1-CB 4.5Å; V197-C257 WeakPolarHBondContact CG1-SG 3.36Å; V197-N321 PolarHBondContact N-O 2.98Å; V197-I322 HydrophobicContact CB-CG1 4.15Å; V197-I322 HydrophobicContact CG2-CG1 3.77Å; V197-A364 HydrophobicContact CG1-CB 4.3Å; V197-Y367 HydrophobicContact CG1-CD1 4.46Å; V197-Y367 HydrophobicContact CG1-CE1 4.43Å; V197-Y367 HydrophobicContact CG2-CD1 4.17Å; V197-Y367 HydrophobicContact CG2-CE1 4.09Å; V197-Q422 VanDerWaalsContact C-NE2 3.31Å; V197-Q422 PolarHBondContact O-NE2 3.13Å
198P81.4Confident75.9Confident1 Ų163.4 Ų63.41%0.00633%0.333CS..PPolyproline II helixtrans-75.4148.5-178.732.1-28.5000109.8R244 Q422P198-R244 VanDerWaalsContact CD-NH2 3.29Å; P198-Q422 VanDerWaalsContact CA-NE2 3.3Å
199C86.2Confident76.1Confident32 Ų3265.6 Ų65.622%0.21635%0.354CS..PPolyproline II helixtrans-59129.1167.4-61.20000108.9
200P89.8Confident75.5Confident61 Ų6172.7 Ų72.740%0.39638%0.375SS..PPolyproline II helixtrans-67.9155.5178.927.7-33.9000111.1R255P200-R255 CarbonylContact C-O 3.58Å; P200-R255 VanDerWaalsContact CA-O 3.28Å; P200-R255 WeakPolarHBondContact CA-O 3.25Å
201T91Very high74.5Confident31 Ų3177.6 Ų77.619%0.1940%0.397CS..PPolyproline II helixtrans-58.4127.9170.8-65.40000108.7K253 L254 R255 L280T201-K253 PolarHBondContact OG1-O 3.12Å; T201-L254 WeakPolarHBondContact OG1-CA 3.27Å; T201-R255 PolarHBondContact N-O 3.23Å; T201-R255 PolarHBondContact OG1-N 2.9Å; T201-L280 HydrophobicContact CG2-CD1 4.28Å; T201-L280 HydrophobicContact CG2-CD2 4.46Å
202P86.7Confident73.1Confident110 Ų11080.3 Ų80.371%0.71441%0.413SS*.PPolyproline II helixtrans-67.1141-175.527-34.8000111.5
203I86.3Confident71.4Confident126 Ų12682.7 Ų82.765%0.64644%0.436SS*.PPolyproline II helixtrans-61.1136.6174.5-62168.9000110.4R205 L280I203-R205 PolarHBondContact O-N 3.49Å; I203-R205 VanDerWaalsContact O-N 3.09Å; I203-L280 HydrophobicContact CG1-CD2 4.26Å
204S78.2Confident69.8Low29 Ų2990.3 Ų90.320%0.20347%0.469CS..  trans-70.1106.2179.6-174.30000111.3L206 D279S204-L206 VanDerWaalsContact C-N 3.33Å; S204-D279 PolarHBondContact N-O 3.42Å
205R76Confident68.1Low242 Ų24290.9 Ų90.991%0.91348%0.479SS*.  trans-82.5-6.7176-61.3-174.1-169.3164.33.2113.7I203 R207I203-R205 PolarHBondContact O-N 3.49Å; I203-R205 VanDerWaalsContact O-N 3.09Å; R205-R207 PolarHBondContact O-N 3.34Å; R205-R207 VanDerWaalsContact O-N 3.16Å
206L61.3Low66.5Low150 Ų15095.2 Ų95.279%0.78550%0.497SS*.  trans-81.112.3-171.4-151.671.1000113.8S204 T208S204-L206 VanDerWaalsContact C-N 3.33Å; L206-T208 VanDerWaalsContact C-N 3.32Å; L206-T208 PolarHBondContact O-N 3.4Å
207R54.9Low64.6Low105 Ų10598.7 Ų98.740%0.39652%0.517SS..  trans-68.890172.7-69.4-173.5-177.1-164.1-1.6110R205 D278R205-R207 PolarHBondContact O-N 3.34Å; R205-R207 VanDerWaalsContact O-N 3.16Å; R207-D278 IonicContact CZ-OD2 3.55Å; R207-D278 IonicContact NH1-OD2 3.46Å; R207-D278 PolarHBondContact NH1-OD2 2.99Å; R207-D278 PolarHBondContact NH2-O 3.31Å; R207-D278 IonicContact NH2-OD1 2.75Å; R207-D278 PolarHBondContact NH2-OD1 2.97Å; R207-D278 IonicContact NH2-OD2 2.72Å; R207-D278 PolarHBondContact NH2-OD2 3.42Å
208T49.5Very low62.7Low89 Ų89105.3 Ų105.355%0.54655%0.545SS..  trans-64.1141.8163.353.70000109L206 R210 Q211L206-T208 VanDerWaalsContact C-N 3.32Å; L206-T208 PolarHBondContact O-N 3.4Å; T208-R210 PolarHBondContact O-N 2.85Å; T208-Q211 PolarHBondContact O-N 2.83Å
209A52.7Low61.3Low84 Ų84109.4 Ų109.469%0.69457%0.572SS**THydrogen-bonded Turntrans-551.7177.900000115.4T212A209-T212 PolarHBondContact O-OG1 2.88Å
210R46.8Very low59.7Low222 Ų222112.3 Ų112.384%0.83858%0.581SS**THydrogen-bonded Turntrans-89.2-19174-79.8179.672.7170.51.7114.3T208 T212T208-R210 PolarHBondContact O-N 2.85Å; R210-T212 VanDerWaalsContact C-N 3.34Å
211Q48.2Very low57.6Low129 Ų129112.3 Ų112.360%0.60358%0.582SS**G310 helixtrans-85.7-8.2173.7-66.5-157.152.800113.2T208 S213 K214T208-Q211 PolarHBondContact O-N 2.83Å; Q211-S213 PolarHBondContact O-N 3.34Å; Q211-S213 VanDerWaalsContact O-N 3.14Å; Q211-K214 PolarHBondContact O-N 2.72Å
212T46.3Very low55.8Low77 Ų77117.2 Ų117.247%0.47261%0.606SS.*G310 helixtrans-66.3-8.8175.462.30000113.8A209 R210 K214 F216A209-T212 PolarHBondContact O-OG1 2.88Å; R210-T212 VanDerWaalsContact C-N 3.34Å; T212-K214 VanDerWaalsContact C-N 3.31Å; T212-F216 HydrophobicContact CG2-CE2 4.48Å
213S45.4Very low54.4Low104 Ų104116.7 Ų116.773%0.72760%0.597SS**G310 helixtrans-76.1-18.3176.767.60000113.2Q211 S215Q211-S213 PolarHBondContact O-N 3.34Å; Q211-S213 VanDerWaalsContact O-N 3.14Å; S213-S215 PolarHBondContact O-N 3.34Å
214K47.6Very low53.1Low170 Ų170116 Ų11674%0.73960%0.595SS**SBendtrans-74.490.6159.3-70-177-176.1174.60105Q211 T212 F216Q211-K214 PolarHBondContact O-N 2.72Å; T212-K214 VanDerWaalsContact C-N 3.31Å; K214-F216 PolarHBondContact O-N 3.23Å; K214-F216 VanDerWaalsContact O-N 3.15Å
215S45.8Very low52.6Low84 Ų84117 Ų11759%0.58760%0.602SS**  trans-10.3111.3166.4176.40000111.5S213 T217S213-S215 PolarHBondContact O-N 3.34Å; S215-T217 PolarHBondContact O-N 3.11Å; S215-T217 PolarHBondContact OG-N 2.69Å
216F49.8Very low52.6Low121 Ų121109.6 Ų109.653%0.53158%0.581SS.*  trans-60.371154.5-86.7-86.9000107.1T212 K214 F218T212-F216 HydrophobicContact CG2-CE2 4.48Å; K214-F216 PolarHBondContact O-N 3.23Å; K214-F216 VanDerWaalsContact O-N 3.15Å; F216-F218 HydrophobicContact CB-CD2 4.21Å; F216-F218 AromaticContact CD1-CD2 3.73Å; F216-F218 HydrophobicContact CD1-CD2 3.73Å; F216-F218 AromaticContact CD1-CE2 3.31Å; F216-F218 HydrophobicContact CD1-CE2 3.31Å; F216-F218 AromaticContact CD1-CZ 3.97Å; F216-F218 HydrophobicContact CD1-CZ 3.97Å; F216-F218 AromaticContact CE1-CE2 3.75Å; F216-F218 HydrophobicContact CE1-CE2 3.75Å; F216-F218 HydrophobicContact CE1-CZ 4.03Å; F216-F218 HydrophobicContact CG-CD2 4.41Å; F216-F218 HydrophobicContact CG-CE2 4.23Å; F216-F218 PolarHBondContact O-N 3.4Å
217T46Very low53.3Low101 Ų101106.1 Ų106.162%0.6257%0.567SS**  trans-68.883.9141.745.80000102.9S215 P219S215-T217 PolarHBondContact O-N 3.11Å; S215-T217 PolarHBondContact OG-N 2.69Å; T217-P219 WeakPolarHBondContact O-CD 3.43Å
218F47Very low54.8Low143 Ų143105.9 Ų105.963%0.62757%0.573SS**  trans-51.2108134.9-79.4-81.2000102.7F216 F220 C221F216-F218 HydrophobicContact CB-CD2 4.21Å; F216-F218 AromaticContact CD1-CD2 3.73Å; F216-F218 HydrophobicContact CD1-CD2 3.73Å; F216-F218 AromaticContact CD1-CE2 3.31Å; F216-F218 HydrophobicContact CD1-CE2 3.31Å; F216-F218 AromaticContact CD1-CZ 3.97Å; F216-F218 HydrophobicContact CD1-CZ 3.97Å; F216-F218 AromaticContact CE1-CE2 3.75Å; F216-F218 HydrophobicContact CE1-CE2 3.75Å; F216-F218 HydrophobicContact CE1-CZ 4.03Å; F216-F218 HydrophobicContact CG-CD2 4.41Å; F216-F218 HydrophobicContact CG-CE2 4.23Å; F216-F218 PolarHBondContact O-N 3.4Å; F218-F220 PolarHBondContact O-N 3.15Å; F218-C221 PolarHBondContact O-N 3.42Å
219P51.3Low56.4Low88 Ų88103 Ų10357%0.57156%0.558SS**SBendtrans-62.4-10.7-175.2-18.232.5000111T217T217-P219 WeakPolarHBondContact O-CD 3.43Å
220F52.6Low57.9Low92 Ų92102 Ų10240%0.40454%0.538SS..  trans-117.764.6-177.5-41.6-68.5000109.6F218 L222 Q271F218-F220 PolarHBondContact O-N 3.15Å; F220-L222 VanDerWaalsContact C-N 3.35Å; F220-L222 PolarHBondContact O-N 2.93Å; F220-Q271 HydrophobicContact CE2-CB 4.31Å; F220-Q271 HydrophobicContact CE2-CG 4.3Å; F220-Q271 HydrophobicContact CZ-CB 4.17Å; F220-Q271 HydrophobicContact CZ-CG 3.69Å
221C47.3Very low59.8Low61 Ų6197.3 Ų97.341%0.41253%0.525SS..  trans-53.4111.9146.8172.60000105.6R37 F218 D223 D224R37-C221 PolarHBondContact NH2-SG 3.01Å; R37-C221 VanDerWaalsContact NH2-SG 3.36Å; F218-C221 PolarHBondContact O-N 3.42Å; C221-D223 PolarHBondContact O-N 3.28Å; C221-D224 PolarHBondContact O-N 3.32Å
222L52.3Low61.7Low135 Ų13596.4 Ų96.471%0.70752%0.521SS*.G310 helixtrans-44.7-25.6-178.2-174.671.1000113.1F220 F230F220-L222 VanDerWaalsContact C-N 3.35Å; F220-L222 PolarHBondContact O-N 2.93Å; L222-F230 HydrophobicContact CD1-CE1 4.08Å; L222-F230 HydrophobicContact CD1-CZ 3.92Å; L222-F230 WeakPolarHBondContact O-CE2 3.37Å
223D57.7Low63.6Low98 Ų9894 Ų9452%0.52451%0.505SS..G310 helixtrans-84.2-3.5-173-176.537.9000113.8R37 C221R37-D223 IonicContact CZ-OD2 4Å; R37-D223 IonicContact NE-OD2 3.23Å; R37-D223 VanDerWaalsContact NH1-C 3.31Å; R37-D223 PolarHBondContact NH1-O 3.5Å; R37-D223 IonicContact NH1-OD2 2.66Å; R37-D223 IonicContact NH2-OD1 2.82Å; R37-D223 IonicContact NH2-OD2 3.88Å; R37-D223 PolarHBondContact NH2-OD2 3.21Å; C221-D223 PolarHBondContact O-N 3.28Å
224D58.6Low65.6Low111 Ų11193 Ų9359%0.59450%0.503SS*.G310 helixtrans-98.7-9.4176.2-82.3-34000116R37 C221R37-D224 IonicContact CZ-OD1 3.05Å; R37-D224 IonicContact NE-OD1 2.98Å; R37-D224 IonicContact NH1-OD1 3.99Å; R37-D224 PolarHBondContact NH1-OD1 3.05Å; R37-D224 IonicContact NH2-OD1 3.83Å; C221-D224 PolarHBondContact O-N 3.32Å
225S67.1Low67.7Low51 Ų5194.1 Ų94.136%0.35750%0.503SS..SBendtrans-90.9155.3179.1-28.40000112.4P227 F230S225-P227 WeakPolarHBondContact O-CD 3.49Å; S225-F230 VanDerWaalsContact CB-CZ 3.44Å
226D76.8Confident69.9Low86 Ų8694.9 Ų94.946%0.4650%0.498SS..  trans-60.4118.4-178.9-178.52.5000111.3I228 A229 F230D226-I228 PolarHBondContact O-N 3.3Å; D226-I228 WeakPolarHBondContact OD1-CB 3.38Å; D226-I228 PolarHBondContact OD1-N 3.13Å; D226-A229 HydrophobicContact CB-CB 3.97Å; D226-A229 WeakPolarHBondContact O-CB 3.49Å; D226-A229 PolarHBondContact O-N 3.06Å; D226-F230 WeakPolarHBondContact O-CD2 3.35Å; D226-F230 PolarHBondContact O-N 3.44Å; D226-F230 VanDerWaalsContact O-N 3.11Å
227P76.1Confident71.8Confident78 Ų7893.4 Ų93.451%0.50650%0.5SS..Hα-helixtrans-56.7-29.6175.424-34.4000113.1S225 F230 H231S225-P227 WeakPolarHBondContact O-CD 3.49Å; P227-F230 PolarHBondContact O-N 2.81Å; P227-H231 PolarHBondContact O-CD2 3.14Å; P227-H231 PolarHBondContact O-N 3Å
228I85Confident74Confident100 Ų10095.2 Ų95.251%0.51350%0.501SS..Hα-helixtrans-66-47.3175.9-59.2173.9000109.4D226 F230 H231 E232D226-I228 PolarHBondContact O-N 3.3Å; D226-I228 WeakPolarHBondContact OD1-CB 3.38Å; D226-I228 PolarHBondContact OD1-N 3.13Å; I228-F230 VanDerWaalsContact C-N 3.3Å; I228-F230 PolarHBondContact O-N 2.86Å; I228-H231 PolarHBondContact O-N 3.18Å; I228-H231 VanDerWaalsContact O-N 3.12Å; I228-E232 HydrophobicContact CG2-CG 4.29Å; I228-E232 WeakPolarHBondContact O-CB 3.32Å; I228-E232 WeakPolarHBondContact O-CG 3.48Å; I228-E232 PolarHBondContact O-N 3.33Å
229A84.1Confident76.2Confident29 Ų2990.2 Ų90.224%0.2448%0.484CS..Hα-helixtrans-59.5-38.8176.700000112.3D226 E232 N233 L266D226-A229 HydrophobicContact CB-CB 3.97Å; D226-A229 WeakPolarHBondContact O-CB 3.49Å; D226-A229 PolarHBondContact O-N 3.06Å; A229-E232 PolarHBondContact O-N 3.35Å; A229-N233 WeakPolarHBondContact O-CB 3.33Å; A229-N233 PolarHBondContact O-N 3.32Å; A229-L266 HydrophobicContact CB-CD2 4.06Å
230F85Confident78.3Confident61 Ų6186.6 Ų86.627%0.26846%0.459SS..Hα-helixtrans-62.1-46.6173.1-74.1-64.5000112.6L222 S225 D226 P227 I228 E232 N233 A234 L266L222-F230 HydrophobicContact CD1-CE1 4.08Å; L222-F230 HydrophobicContact CD1-CZ 3.92Å; L222-F230 WeakPolarHBondContact O-CE2 3.37Å; S225-F230 VanDerWaalsContact CB-CZ 3.44Å; D226-F230 WeakPolarHBondContact O-CD2 3.35Å; D226-F230 PolarHBondContact O-N 3.44Å; D226-F230 VanDerWaalsContact O-N 3.11Å; P227-F230 PolarHBondContact O-N 2.81Å; I228-F230 VanDerWaalsContact C-N 3.3Å; I228-F230 PolarHBondContact O-N 2.86Å; F230-E232 VanDerWaalsContact C-N 3.32Å; F230-E232 PolarHBondContact O-N 3.45Å; F230-N233 PolarHBondContact O-N 3.2Å; F230-A234 VanDerWaalsContact O-CB 3.27Å; F230-A234 WeakPolarHBondContact O-CB 3.34Å; F230-A234 PolarHBondContact O-N 3.26Å; F230-L266 HydrophobicContact CD1-CD1 3.24Å; F230-L266 HydrophobicContact CE1-CD1 3.57Å; F230-L266 HydrophobicContact CG-CD1 4.21Å
231H85.7Confident80.3Confident124 Ų12482.2 Ų82.257%0.57444%0.441SS*.Hα-helixtrans-65.8-35.3177.5-77.6-57000112.5P227 I228 R235P227-H231 PolarHBondContact O-CD2 3.14Å; P227-H231 PolarHBondContact O-N 3Å; I228-H231 PolarHBondContact O-N 3.18Å; I228-H231 VanDerWaalsContact O-N 3.12Å; H231-R235 VanDerWaalsContact O-CG 3.25Å; H231-R235 WeakPolarHBondContact O-CG 3.39Å; H231-R235 PolarHBondContact O-N 3.24Å
232E87.8Confident82.7Confident111 Ų11179.4 Ų79.452%0.51942%0.422SS..Hα-helixtrans-68.2-43.6175-73.8179.3172.800111.9I228 A229 F230 R235I228-E232 HydrophobicContact CG2-CG 4.29Å; I228-E232 WeakPolarHBondContact O-CB 3.32Å; I228-E232 WeakPolarHBondContact O-CG 3.48Å; I228-E232 PolarHBondContact O-N 3.33Å; A229-E232 PolarHBondContact O-N 3.35Å; F230-E232 VanDerWaalsContact C-N 3.32Å; F230-E232 PolarHBondContact O-N 3.45Å; E232-R235 PolarHBondContact O-N 3.32Å
233N86.2Confident84.8Confident25 Ų2573 Ų7313%0.13439%0.388CS..Hα-helixtrans-62.7-45.1175-163.750.8000111A229 F230 R235 Q236 E264 Q265 L266A229-N233 WeakPolarHBondContact O-CB 3.33Å; A229-N233 PolarHBondContact O-N 3.32Å; F230-N233 PolarHBondContact O-N 3.2Å; N233-R235 PolarHBondContact O-N 3.09Å; N233-Q236 WeakPolarHBondContact O-CB 3.46Å; N233-Q236 PolarHBondContact O-N 2.65Å; N233-E264 PolarHBondContact ND2-OE1 3.16Å; N233-Q265 PolarHBondContact OD1-N 2.91Å; N233-Q265 VanDerWaalsContact OD1-N 3.14Å; N233-L266 HydrophobicContact CB-CD1 3.87Å; N233-L266 HydrophobicContact CB-CG 4.01Å; N233-L266 WeakPolarHBondContact ND2-CD1 3.47Å
234A88.2Confident86.5Confident83 Ų8369 Ų6969%0.68637%0.366SS*.Hα-helixtrans-66.6-17.9179.500000114.3F230F230-A234 VanDerWaalsContact O-CB 3.27Å; F230-A234 WeakPolarHBondContact O-CB 3.34Å; F230-A234 PolarHBondContact O-N 3.26Å
235R91.5Very high88.2Confident194 Ų19463.8 Ų63.873%0.73234%0.337SS*.THydrogen-bonded Turntrans-81.4-16.1173.6-77.5169.9-178.4167.22.4113H231 E232 N233H231-R235 VanDerWaalsContact O-CG 3.25Å; H231-R235 WeakPolarHBondContact O-CG 3.39Å; H231-R235 PolarHBondContact O-N 3.24Å; E232-R235 PolarHBondContact O-N 3.32Å; N233-R235 PolarHBondContact O-N 3.09Å
236Q91.2Very high89.4Confident101 Ų10163.2 Ų63.247%0.47233%0.331SS..SBendtrans-71.5140.2178.3-59.6-55.4-5000109.9N233 N263N233-Q236 WeakPolarHBondContact O-CB 3.46Å; N233-Q236 PolarHBondContact O-N 2.65Å; Q236-N263 HydrophobicContact CB-CB 4.22Å
237P91Very high90.3Very high89 Ų8960.1 Ų60.158%0.57831%0.314SS*.PPolyproline II helixtrans-63.3142.4171.827.6-33.4000109.9C239 N263P237-C239 PolarHBondContact O-N 3.14Å; P237-N263 PolarHBondContact O-ND2 3.1Å
238E91.1Very high91.1Very high139 Ų13962 Ų6265%0.6532%0.315SS*.PPolyproline II helixtrans-73.3125.1177.7-165.7-177.3-168.800110.4L240E238-L240 HydrophobicContact CG-CD2 3.9Å; E238-L240 HydrophobicContact CG-CG 3.82Å; E238-L240 WeakPolarHBondContact OE1-CD1 3.46Å; E238-L240 VanDerWaalsContact OE1-CD2 3.24Å; E238-L240 WeakPolarHBondContact OE1-CD2 3.41Å; E238-L240 WeakPolarHBondContact OE1-CG 3.38Å
239C92.9Very high91.5Very high39 Ų3958.3 Ų58.326%0.26430%0.299SS..  trans-124.386.5176.7-174.80000109.3P237 V241 N261 R262P237-C239 PolarHBondContact O-N 3.14Å; C239-V241 PolarHBondContact O-N 2.87Å; C239-N261 PolarHBondContact N-OD1 3.07Å; C239-N261 WeakPolarHBondContact O-CA 3.34Å; C239-R262 HydrophobicContact CB-CB 4.2Å; C239-R262 WeakPolarHBondContact O-CB 3.4Å; C239-R262 PolarHBondContact O-N 2.79Å
240L95.8Very high91.9Very high11 Ų1163.4 Ų63.46%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-80.5117.9-175-68.2-176.9000112.7E238 W260 N261 E345 R370E238-L240 HydrophobicContact CG-CD2 3.9Å; E238-L240 HydrophobicContact CG-CG 3.82Å; E238-L240 WeakPolarHBondContact OE1-CD1 3.46Å; E238-L240 VanDerWaalsContact OE1-CD2 3.24Å; E238-L240 WeakPolarHBondContact OE1-CD2 3.41Å; E238-L240 WeakPolarHBondContact OE1-CG 3.38Å; L240-W260 WeakPolarHBondContact CA-O 3.27Å; L240-N261 HydrophobicContact CD2-CB 4.19Å; L240-E345 HydrophobicContact CD1-CG 4.28Å; L240-E345 VanDerWaalsContact CD1-OE1 3.31Å; L240-E345 WeakPolarHBondContact CD1-OE1 3.14Å; L240-R370 PolarHBondContact O-NH1 3.16Å
241V95.8Very high92.2Very high1 Ų163.5 Ų63.51%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-97.6125.3173.4-178.40000109.3C239 I243 T259 W260 R262 I299 H302C239-V241 PolarHBondContact O-N 2.87Å; V241-I243 HydrophobicContact CB-CD1 4.41Å; V241-I243 HydrophobicContact CG1-CD1 3.8Å; V241-I243 PolarHBondContact O-N 3.05Å; V241-T259 CarbonylContact O-C 3.6Å; V241-T259 WeakPolarHBondContact O-CA 3.47Å; V241-W260 PolarHBondContact N-O 2.98Å; V241-W260 PolarHBondContact O-N 3.31Å; V241-R262 HydrophobicContact CG2-CB 3.93Å; V241-I299 HydrophobicContact CG1-CG1 4.43Å; V241-H302 HydrophobicContact CG1-CB 3.73Å; V241-H302 HydrophobicContact CG2-CB 4.28Å
242P96.3Very high92.6Very high2 Ų261 Ų611%0.01333%0.333CS..EExtended strand (participates in β ladder)trans-71.3124172.230.4-33.3000110.2H193 H302 Y367 R370H193-P242 PolarHBondContact CE1-O 3.43Å; P242-H302 VanDerWaalsContact CD-CE1 3.5Å; P242-H302 WeakPolarHBondContact CD-CE1 3.12Å; P242-Y367 HydrophobicContact CB-CD2 3.72Å; P242-Y367 HydrophobicContact CB-CE2 3.95Å; P242-R370 HydrophobicContact CB-CB 4.01Å; P242-R370 HydrophobicContact CG-CB 3.99Å
243I96.1Very high92.8Very high0 Ų059.7 Ų59.70%033%0.326CS..EExtended strand (participates in β ladder)trans-113.3128.3-179.2-57.5-59.7000109.4V241 L245 C257 F258 W260 M295 Q298 I299 Y367V241-I243 HydrophobicContact CB-CD1 4.41Å; V241-I243 HydrophobicContact CG1-CD1 3.8Å; V241-I243 PolarHBondContact O-N 3.05Å; I243-L245 HydrophobicContact CG2-CD2 4.02Å; I243-L245 HydrophobicContact CG2-CG 4.32Å; I243-C257 VanDerWaalsContact O-CA 3.27Å; I243-C257 WeakPolarHBondContact O-CA 3.23Å; I243-F258 HydrophobicContact CB-CD2 4.08Å; I243-F258 HydrophobicContact CB-CE1 4.43Å; I243-F258 HydrophobicContact CB-CE2 3.78Å; I243-F258 HydrophobicContact CB-CZ 3.97Å; I243-F258 HydrophobicContact CG1-CD2 4.38Å; I243-F258 HydrophobicContact CG1-CE2 3.96Å; I243-F258 HydrophobicContact CG1-CZ 4.49Å; I243-F258 HydrophobicContact CG2-CE1 4.04Å; I243-F258 HydrophobicContact CG2-CE2 3.93Å; I243-F258 HydrophobicContact CG2-CZ 3.61Å; I243-F258 PolarHBondContact N-O 3.34Å; I243-F258 PolarHBondContact O-N 3.15Å; I243-W260 HydrophobicContact CD1-CB 4.48Å; I243-W260 HydrophobicContact CG1-CB 3.78Å; I243-M295 HydrophobicContact CG2-CG 4.06Å; I243-Q298 HydrophobicContact CD1-CB 3.72Å; I243-I299 HydrophobicContact CD1-CG1 4Å; I243-Y367 VanDerWaalsContact O-CE2 3.28Å; I243-Y367 WeakPolarHBondContact O-CE2 3.3Å
244R94.4Very high93.2Very high15 Ų1558.5 Ų58.56%0.05732%0.319CS..EExtended strand (participates in β ladder)trans-115.7125.1169.2-161.7-179.1175.8144.52.1109.8F192 S196 P198 Q298 Y367F192-R244 HydrophobicContact CD2-CB 3.99Å; F192-R244 VanDerWaalsContact CD2-CD 3.42Å; F192-R244 HydrophobicContact CD2-CG 4.34Å; F192-R244 HydrophobicContact CE2-CB 3.46Å; F192-R244 VanDerWaalsContact CE2-CB 3.46Å; F192-R244 HydrophobicContact CE2-CG 4.3Å; F192-R244 HydrophobicContact CZ-CB 4.34Å; F192-R244 PolarHBondContact O-NH1 2.95Å; S196-R244 PolarHBondContact O-NH1 2.93Å; S196-R244 PolarHBondContact O-NH2 3.04Å; P198-R244 VanDerWaalsContact CD-NH2 3.29Å; R244-Q298 PolarHBondContact O-NE2 2.95Å; R244-Q298 PolarHBondContact O-OE1 2.85Å; R244-Y367 HydrophobicContact CB-CE2 4.23Å; R244-Y367 VanDerWaalsContact CB-OH 3.29Å; R244-Y367 WeakPolarHBondContact CB-OH 3.47Å; R244-Y367 WeakPolarHBondContact CD-OH 3.09Å; R244-Y367 WeakPolarHBondContact CG-OH 3.35Å
245L94.7Very high93.4Very high0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-101.6128.9171.4-57.5-178.1000109I243 I247 L254 R255 D256 F258 L276 I291 A294 M295I243-L245 HydrophobicContact CG2-CD2 4.02Å; I243-L245 HydrophobicContact CG2-CG 4.32Å; L245-I247 HydrophobicContact CD2-CD1 4.25Å; L245-L254 HydrophobicContact CD1-CD2 4.23Å; L245-R255 WeakPolarHBondContact O-CA 3.49Å; L245-D256 HydrophobicContact CB-CB 4.28Å; L245-D256 HydrophobicContact CD1-CB 4.35Å; L245-D256 PolarHBondContact N-O 3.13Å; L245-D256 PolarHBondContact O-N 3Å; L245-D256 VanDerWaalsContact O-N 3.11Å; L245-F258 HydrophobicContact CD1-CE1 3.83Å; L245-F258 HydrophobicContact CD1-CZ 4.38Å; L245-F258 HydrophobicContact CG-CE1 4.14Å; L245-L276 HydrophobicContact CD1-CD2 3.61Å; L245-I291 HydrophobicContact CD1-CG1 4.36Å; L245-I291 HydrophobicContact CD1-CG2 3.98Å; L245-I291 HydrophobicContact CD2-CG2 4.4Å; L245-A294 HydrophobicContact CD2-CB 4.04Å; L245-M295 HydrophobicContact CD2-CG 4.32Å
246D92.7Very high93.6Very high40 Ų4048.5 Ų48.521%0.21427%0.266CS..EExtended strand (participates in β ladder)trans-146.179.3172-167.6-23.7000107.4L254 R255 R430D246-L254 WeakPolarHBondContact CA-O 3.48Å; D246-R255 IonicContact OD1-NE 3.74Å; D246-R430 IonicContact OD1-NH2 2.63Å; D246-R430 PolarHBondContact OD1-NH2 2.66Å; D246-R430 IonicContact OD2-CZ 3Å; D246-R430 IonicContact OD2-NH2 3.17Å; D246-R430 PolarHBondContact OD2-NH2 2.67Å
247I94Very high93.7Very high20 Ų2044.2 Ų44.210%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-114.7137.9-169.1-63.7167.7000108.3L245 K253 L254 F287 A290 I291 A294L245-I247 HydrophobicContact CD2-CD1 4.25Å; I247-K253 CarbonylContact O-C 3.59Å; I247-K253 WeakPolarHBondContact O-CA 3.44Å; I247-L254 HydrophobicContact CB-CB 4.34Å; I247-L254 HydrophobicContact CD1-CD2 4.39Å; I247-L254 PolarHBondContact N-O 3.24Å; I247-L254 PolarHBondContact O-N 3.25Å; I247-F287 HydrophobicContact CG2-CD1 3.96Å; I247-F287 HydrophobicContact CG2-CE1 3.95Å; I247-A290 HydrophobicContact CD1-CB 4.2Å; I247-A290 HydrophobicContact CG2-CB 3.75Å; I247-I291 HydrophobicContact CD1-CB 4.28Å; I247-I291 HydrophobicContact CD1-CG1 3.71Å; I247-A294 HydrophobicContact CD1-CB 4.26Å
248E94Very high93.9Very high117 Ų11741 Ų4155%0.54722%0.224SC..EExtended strand (participates in β ladder)trans-128.1121.1174.3-175.1168.7-174.800109.1V252 K253E248-V252 VanDerWaalsContact CA-O 3.31Å; E248-V252 WeakPolarHBondContact CA-O 3.35Å; E248-K253 HydrophobicContact CB-CG 4.15Å; E248-K253 HydrophobicContact CG-CG 3.86Å; E248-K253 WeakPolarHBondContact OE1-CE 3.21Å; E248-K253 WeakPolarHBondContact OE2-CE 3.49Å; E248-K253 IonicContact OE2-NZ 3.46Å
249C93.6Very high94.1Very high24 Ų2436.3 Ų36.316%0.16221%0.205CC..EExtended strand (participates in β ladder)trans-133.2127.5177.7-62.80000108.7G251 V252 N286 F287C249-G251 PolarHBondContact O-N 2.84Å; C249-G251 VanDerWaalsContact O-N 3.1Å; C249-V252 PolarHBondContact N-O 3.1Å; C249-V252 WeakPolarHBondContact O-CB 3.26Å; C249-V252 PolarHBondContact O-N 3.14Å; C249-N286 HydrophobicContact CB-CB 4.04Å; C249-F287 HydrophobicContact CB-CD2 4.3Å; C249-F287 HydrophobicContact CB-CE1 4.18Å; C249-F287 HydrophobicContact CB-CE2 3.84Å; C249-F287 HydrophobicContact CB-CZ 3.77Å
250D91.9Very high94.3Very high136 Ų13635.6 Ų35.673%0.72720%0.197SC*.THydrogen-bonded Turntrans5035.8180-54.1-38.8000114.6V252 N286D250-V252 PolarHBondContact O-N 3.13Å; D250-N286 PolarHBondContact OD2-ND2 3.01Å
251G91.8Very high94.3Very high62 Ų6236.6 Ų36.664%0.63920%0.202SC*.THydrogen-bonded Turntrans77.9-2.4-178.300000115.1C249C249-G251 PolarHBondContact O-N 2.84Å; C249-G251 VanDerWaalsContact O-N 3.1Å
252V94.3Very high94.2Very high71 Ų7138 Ų3843%0.4321%0.208SC..EExtended strand (participates in β ladder)trans-89.4134171.3-177.70000108.9E248 C249 D250 L282 F287E248-V252 VanDerWaalsContact CA-O 3.31Å; E248-V252 WeakPolarHBondContact CA-O 3.35Å; C249-V252 PolarHBondContact N-O 3.1Å; C249-V252 WeakPolarHBondContact O-CB 3.26Å; C249-V252 PolarHBondContact O-N 3.14Å; D250-V252 PolarHBondContact O-N 3.13Å; V252-L282 HydrophobicContact CG1-CD2 3.69Å; V252-F287 HydrophobicContact CB-CE2 4.1Å; V252-F287 HydrophobicContact CB-CZ 3.86Å; V252-F287 HydrophobicContact CG1-CE2 4.1Å; V252-F287 HydrophobicContact CG1-CZ 3.8Å; V252-F287 WeakPolarHBondContact O-CZ 3.35Å
253K92.2Very high94.1Very high85 Ų8540 Ų4037%0.3722%0.218SC..EExtended strand (participates in β ladder)trans-109.8129.7-179.7-68.5179.9176.1174.20111T201 I247 E248T201-K253 PolarHBondContact OG1-O 3.12Å; I247-K253 CarbonylContact O-C 3.59Å; I247-K253 WeakPolarHBondContact O-CA 3.44Å; E248-K253 HydrophobicContact CB-CG 4.15Å; E248-K253 HydrophobicContact CG-CG 3.86Å; E248-K253 WeakPolarHBondContact OE1-CE 3.21Å; E248-K253 WeakPolarHBondContact OE2-CE 3.49Å; E248-K253 IonicContact OE2-NZ 3.46Å
254L94.4Very high93.9Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-105.7123.5168.2168.759.3000108.9T201 L245 D246 I247 L276 L280 L282 F287 I291T201-L254 WeakPolarHBondContact OG1-CA 3.27Å; L245-L254 HydrophobicContact CD1-CD2 4.23Å; D246-L254 WeakPolarHBondContact CA-O 3.48Å; I247-L254 HydrophobicContact CB-CB 4.34Å; I247-L254 HydrophobicContact CD1-CD2 4.39Å; I247-L254 PolarHBondContact N-O 3.24Å; I247-L254 PolarHBondContact O-N 3.25Å; L254-L276 HydrophobicContact CD2-CD2 4.24Å; L254-L280 HydrophobicContact CD1-CD1 3.38Å; L254-L282 HydrophobicContact CB-CD1 4.14Å; L254-L282 HydrophobicContact CD1-CD1 3.99Å; L254-L282 HydrophobicContact CD2-CD1 4.07Å; L254-L282 HydrophobicContact CG-CD1 4.29Å; L254-F287 HydrophobicContact CB-CD1 3.96Å; L254-F287 HydrophobicContact CB-CE1 3.62Å; L254-F287 HydrophobicContact CD2-CD1 4.05Å; L254-I291 HydrophobicContact CD2-CD1 3.62Å; L254-I291 HydrophobicContact CD2-CG1 3.64Å
255R92.7Very high93.6Very high31 Ų3148.3 Ų48.312%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-126.5129.4169.7-66.6-172.6175.1-171.63109.8P200 T201 L245 D246 D423P200-R255 CarbonylContact C-O 3.58Å; P200-R255 VanDerWaalsContact CA-O 3.28Å; P200-R255 WeakPolarHBondContact CA-O 3.25Å; T201-R255 PolarHBondContact N-O 3.23Å; T201-R255 PolarHBondContact OG1-N 2.9Å; L245-R255 WeakPolarHBondContact O-CA 3.49Å; D246-R255 IonicContact OD1-NE 3.74Å; R255-D423 IonicContact CZ-OD1 2.8Å; R255-D423 IonicContact NH1-OD1 3.66Å; R255-D423 PolarHBondContact NH1-OD1 3.18Å; R255-D423 IonicContact NH2-OD1 2.71Å; R255-D423 PolarHBondContact NH2-OD1 2.65Å; R255-D423 IonicContact NH2-OD2 3.83Å
256D94.2Very high93.3Very high35 Ų3550.9 Ų50.919%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-157.4160175.7-151.1-11.9000110.8L245L245-D256 HydrophobicContact CB-CB 4.28Å; L245-D256 HydrophobicContact CD1-CB 4.35Å; L245-D256 PolarHBondContact N-O 3.13Å; L245-D256 PolarHBondContact O-N 3Å; L245-D256 VanDerWaalsContact O-N 3.11Å
257C94Very high93.1Very high11 Ų1152.7 Ų52.77%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-146.6132.3172.959.80000111.4V197 I243 Y367V197-C257 HydrophobicContact CG1-CB 4.5Å; V197-C257 WeakPolarHBondContact CG1-SG 3.36Å; I243-C257 VanDerWaalsContact O-CA 3.27Å; I243-C257 WeakPolarHBondContact O-CA 3.23Å; C257-Y367 HydrophobicContact CB-CD1 3.73Å; C257-Y367 HydrophobicContact CB-CD2 3.94Å; C257-Y367 HydrophobicContact CB-CE1 3.7Å; C257-Y367 HydrophobicContact CB-CE2 3.88Å; C257-Y367 HydrophobicContact CB-CG 3.88Å
258F95.6Very high93Very high22 Ų2254.7 Ų54.710%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-157.2175.4-178.655.5-91.9000110.4I243 L245 W260 M272 M295I243-F258 HydrophobicContact CB-CD2 4.08Å; I243-F258 HydrophobicContact CB-CE1 4.43Å; I243-F258 HydrophobicContact CB-CE2 3.78Å; I243-F258 HydrophobicContact CB-CZ 3.97Å; I243-F258 HydrophobicContact CG1-CD2 4.38Å; I243-F258 HydrophobicContact CG1-CE2 3.96Å; I243-F258 HydrophobicContact CG1-CZ 4.49Å; I243-F258 HydrophobicContact CG2-CE1 4.04Å; I243-F258 HydrophobicContact CG2-CE2 3.93Å; I243-F258 HydrophobicContact CG2-CZ 3.61Å; I243-F258 PolarHBondContact N-O 3.34Å; I243-F258 PolarHBondContact O-N 3.15Å; L245-F258 HydrophobicContact CD1-CE1 3.83Å; L245-F258 HydrophobicContact CD1-CZ 4.38Å; L245-F258 HydrophobicContact CG-CE1 4.14Å; F258-W260 HydrophobicContact CE2-CB 4.33Å; F258-W260 HydrophobicContact CE2-CE3 4.35Å; F258-M272 HydrophobicContact CD2-CE 4.41Å; F258-M272 HydrophobicContact CE2-CE 4.13Å; F258-M272 HydrophobicContact CZ-CE 4.36Å; F258-M295 HydrophobicContact CE2-CE 3.71Å; F258-M295 HydrophobicContact CZ-CE 3.79Å; F258-M295 HydrophobicContact CZ-SD 4.14Å
259T96Very high93.1Very high40 Ų4050.2 Ų50.225%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-105.9139.217150.20000109.7V241V241-T259 CarbonylContact O-C 3.6Å; V241-T259 WeakPolarHBondContact O-CA 3.47Å
260W96.7Very high93.2Very high25 Ų2552.2 Ų52.210%0.09528%0.28CS..EExtended strand (participates in β ladder)trans-119.6130.3179-177.7-95000110.2L240 V241 I243 F258 R262 E264 I267 L269 M272 M295 I299L240-W260 WeakPolarHBondContact CA-O 3.27Å; V241-W260 PolarHBondContact N-O 2.98Å; V241-W260 PolarHBondContact O-N 3.31Å; I243-W260 HydrophobicContact CD1-CB 4.48Å; I243-W260 HydrophobicContact CG1-CB 3.78Å; F258-W260 HydrophobicContact CE2-CB 4.33Å; F258-W260 HydrophobicContact CE2-CE3 4.35Å; W260-R262 PolarHBondContact O-N 3.06Å; W260-E264 HydrophobicContact CH2-CG 4.19Å; W260-E264 HydrophobicContact CZ2-CB 3.97Å; W260-E264 HydrophobicContact CZ2-CG 3.77Å; W260-I267 HydrophobicContact CH2-CB 4.19Å; W260-I267 HydrophobicContact CH2-CG2 3.97Å; W260-I267 WeakPolarHBondContact CZ2-O 3.5Å; W260-L269 HydrophobicContact CD2-CD2 4.37Å; W260-L269 HydrophobicContact CH2-CD2 4.49Å; W260-L269 HydrophobicContact CZ2-CD2 3.81Å; W260-M272 HydrophobicContact CE3-CE 4.35Å; W260-M272 HydrophobicContact CE3-CG 4.38Å; W260-M272 HydrophobicContact CH2-CB 4.05Å; W260-M272 HydrophobicContact CH2-CG 4.3Å; W260-M272 HydrophobicContact CZ3-CB 3.94Å; W260-M272 HydrophobicContact CZ3-CE 4.09Å; W260-M272 HydrophobicContact CZ3-CG 3.66Å; W260-M272 HydrophobicContact CZ3-SD 4.09Å; W260-M295 HydrophobicContact CB-CE 4.45Å; W260-M295 HydrophobicContact CD2-CE 3.76Å; W260-M295 HydrophobicContact CE3-CE 3.74Å; W260-M295 HydrophobicContact CG-CE 4.07Å; W260-M295 HydrophobicContact CZ3-CE 4.32Å; W260-I299 HydrophobicContact CG-CD1 4.3Å
261N95.4Very high93.2Very high31 Ų3147.9 Ų47.917%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-73.1109.9172.5-177.113.3000109.5C239 L240 N263 E264C239-N261 PolarHBondContact N-OD1 3.07Å; C239-N261 WeakPolarHBondContact O-CA 3.34Å; L240-N261 HydrophobicContact CD2-CB 4.19Å; N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.15Å; N261-N263 PolarHBondContact OD1-N 3.45Å; N261-N263 VanDerWaalsContact OD1-N 3.07Å; N261-E264 HydrophobicContact CB-CB 4.32Å; N261-E264 WeakPolarHBondContact O-CB 3.31Å; N261-E264 PolarHBondContact O-N 2.76Å
262R94Very high93.4Very high32 Ų3247.6 Ų47.612%0.12124%0.238CC..THydrogen-bonded Turntrans-55.8-29.8175.3169.7-176.6-78.7161-12.6112.8C239 V241 W260 E264 I299 H302 P303 M304C239-R262 HydrophobicContact CB-CB 4.2Å; C239-R262 WeakPolarHBondContact O-CB 3.4Å; C239-R262 PolarHBondContact O-N 2.79Å; V241-R262 HydrophobicContact CG2-CB 3.93Å; W260-R262 PolarHBondContact O-N 3.06Å; R262-E264 VanDerWaalsContact C-N 3.29Å; R262-I299 HydrophobicContact CG-CG2 4.22Å; R262-I299 PolarHBondContact NH2-O 2.89Å; R262-H302 VanDerWaalsContact NH2-CB 3.33Å; R262-H302 PolarHBondContact NH2-O 3.17Å; R262-P303 PolarHBondContact NH1-O 2.96Å; R262-M304 VanDerWaalsContact CD-CE 3.42Å; R262-M304 VanDerWaalsContact NE-CE 3.25Å; R262-M304 PolarHBondContact NH1-SD 3.23Å
263N93.7Very high93.4Very high44 Ų4444.2 Ų44.224%0.23522%0.217CC..THydrogen-bonded Turntrans-86.52.1-179-63.4-19.1000113Q236 P237 N261 Q265Q236-N263 HydrophobicContact CB-CB 4.22Å; P237-N263 PolarHBondContact O-ND2 3.1Å; N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.15Å; N261-N263 PolarHBondContact OD1-N 3.45Å; N261-N263 VanDerWaalsContact OD1-N 3.07Å; N263-Q265 WeakPolarHBondContact O-CG 3.24Å; N263-Q265 PolarHBondContact O-N 2.85Å; N263-Q265 PolarHBondContact O-NE2 2.81Å; N263-Q265 VanDerWaalsContact O-NE2 3.13Å
264E91.7Very high93.5Very high49 Ų4945.4 Ų45.423%0.22922%0.224CC..  trans-57.9123.9177.3-178.556-102.900111.8N233 W260 N261 R262 L266 I267N233-E264 PolarHBondContact ND2-OE1 3.16Å; W260-E264 HydrophobicContact CH2-CG 4.19Å; W260-E264 HydrophobicContact CZ2-CB 3.97Å; W260-E264 HydrophobicContact CZ2-CG 3.77Å; N261-E264 HydrophobicContact CB-CB 4.32Å; N261-E264 WeakPolarHBondContact O-CB 3.31Å; N261-E264 PolarHBondContact O-N 2.76Å; R262-E264 VanDerWaalsContact C-N 3.29Å; E264-L266 WeakPolarHBondContact OE1-CB 3.39Å; E264-L266 PolarHBondContact OE1-N 2.84Å; E264-I267 HydrophobicContact CG-CB 4.17Å; E264-I267 PolarHBondContact OE1-N 3.1Å
265Q88.6Confident93.3Very high140 Ų14048.4 Ų48.465%0.65424%0.242SC*.  trans-112.2-16.8-180-59.9-55.5-48.300114N233 N263N233-Q265 PolarHBondContact OD1-N 2.91Å; N233-Q265 VanDerWaalsContact OD1-N 3.14Å; N263-Q265 WeakPolarHBondContact O-CG 3.24Å; N263-Q265 PolarHBondContact O-N 2.85Å; N263-Q265 PolarHBondContact O-NE2 2.81Å; N263-Q265 VanDerWaalsContact O-NE2 3.13Å
266L87.2Confident93.4Very high54 Ų5447.8 Ų47.828%0.28324%0.241SC..SBendtrans-96.5-37.1-169.9-59.8175.1000112.5A229 F230 N233 E264A229-L266 HydrophobicContact CB-CD2 4.06Å; F230-L266 HydrophobicContact CD1-CD1 3.24Å; F230-L266 HydrophobicContact CE1-CD1 3.57Å; F230-L266 HydrophobicContact CG-CD1 4.21Å; N233-L266 HydrophobicContact CB-CD1 3.87Å; N233-L266 HydrophobicContact CB-CG 4.01Å; N233-L266 WeakPolarHBondContact ND2-CD1 3.47Å; E264-L266 WeakPolarHBondContact OE1-CB 3.39Å; E264-L266 PolarHBondContact OE1-N 2.84Å
267I89.5Confident93.3Very high78 Ų7846.2 Ų46.240%0.423%0.233SC..SBendtrans-103.6113.5178.8-55.9175.3000108.4W260 E264 Q271 M272W260-I267 HydrophobicContact CH2-CB 4.19Å; W260-I267 HydrophobicContact CH2-CG2 3.97Å; W260-I267 WeakPolarHBondContact CZ2-O 3.5Å; E264-I267 HydrophobicContact CG-CB 4.17Å; E264-I267 PolarHBondContact OE1-N 3.1Å; I267-Q271 HydrophobicContact CG2-CB 4.31Å; I267-M272 HydrophobicContact CG2-CB 4.29Å
268T91.9Very high93.1Very high61 Ų6150 Ų5037%0.37425%0.253SS..  trans-74.5156.9175.679.60000110.9E270 Q271 M272T268-E270 PolarHBondContact O-N 3.35Å; T268-E270 PolarHBondContact OG1-OE2 2.84Å; T268-Q271 PolarHBondContact O-N 3.38Å; T268-Q271 VanDerWaalsContact O-N 3.13Å; T268-Q271 VanDerWaalsContact OG1-CG 3.32Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.45Å; T268-Q271 PolarHBondContact OG1-N 3.35Å; T268-M272 PolarHBondContact O-N 2.89Å
269L95.6Very high92.8Very high24 Ų2452.5 Ų52.513%0.12627%0.267CS..Hα-helixtrans-60.4-35.7176.4-61.5179.9000111.8W260 A273 V292 M295 R296 I299W260-L269 HydrophobicContact CD2-CD2 4.37Å; W260-L269 HydrophobicContact CH2-CD2 4.49Å; W260-L269 HydrophobicContact CZ2-CD2 3.81Å; L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 3.02Å; L269-V292 HydrophobicContact CB-CG1 4.22Å; L269-V292 HydrophobicContact CB-CG2 4.22Å; L269-M295 HydrophobicContact CD1-CB 4.39Å; L269-M295 HydrophobicContact CD2-CB 4.25Å; L269-M295 HydrophobicContact CD2-CE 3.56Å; L269-M295 HydrophobicContact CD2-SD 4.08Å; L269-R296 HydrophobicContact CD1-CG 3.42Å; L269-R296 VanDerWaalsContact CD1-CG 3.42Å; L269-I299 HydrophobicContact CD1-CD1 4.27Å; L269-I299 HydrophobicContact CD2-CD1 3.95Å
270E95.6Very high92.6Very high65 Ų6551.4 Ų51.430%0.30426%0.259SS..Hα-helixtrans-62-46.2174.7-66.274.1-167.500111.3T268 A273 E274 V292 R296T268-E270 PolarHBondContact O-N 3.35Å; T268-E270 PolarHBondContact OG1-OE2 2.84Å; E270-A273 PolarHBondContact O-N 3.13Å; E270-E274 WeakPolarHBondContact O-CB 3.45Å; E270-E274 WeakPolarHBondContact O-CG 3.49Å; E270-E274 PolarHBondContact O-N 2.99Å; E270-V292 HydrophobicContact CB-CG2 4.48Å; E270-V292 HydrophobicContact CG-CG2 4.09Å; E270-R296 IonicContact OE1-CZ 3.09Å; E270-R296 IonicContact OE1-NH2 3.99Å; E270-R296 PolarHBondContact OE1-NH2 2.97Å; E270-R296 IonicContact OE2-NH2 2.73Å
271Q92.9Very high92.3Very high46 Ų4656.1 Ų56.122%0.21529%0.287CS..Hα-helixtrans-63.4-45.1178.6-69.3167.7-19.500111.4F220 I267 T268 A273 E274 V275F220-Q271 HydrophobicContact CE2-CB 4.31Å; F220-Q271 HydrophobicContact CE2-CG 4.3Å; F220-Q271 HydrophobicContact CZ-CB 4.17Å; F220-Q271 HydrophobicContact CZ-CG 3.69Å; I267-Q271 HydrophobicContact CG2-CB 4.31Å; T268-Q271 PolarHBondContact O-N 3.38Å; T268-Q271 VanDerWaalsContact O-N 3.13Å; T268-Q271 VanDerWaalsContact OG1-CG 3.32Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.45Å; T268-Q271 PolarHBondContact OG1-N 3.35Å; Q271-A273 VanDerWaalsContact C-N 3.32Å; Q271-A273 PolarHBondContact O-N 3.03Å; Q271-E274 PolarHBondContact O-N 3.13Å; Q271-V275 WeakPolarHBondContact O-CG2 3.47Å; Q271-V275 PolarHBondContact O-N 2.96Å
272M94.9Very high92.2Very high56 Ų5655.6 Ų55.628%0.27628%0.284SS..Hα-helixtrans-58.5-45.1174.6178.559.8158.800111.4F258 W260 I267 T268 V275 L276 M295F258-M272 HydrophobicContact CD2-CE 4.41Å; F258-M272 HydrophobicContact CE2-CE 4.13Å; F258-M272 HydrophobicContact CZ-CE 4.36Å; W260-M272 HydrophobicContact CE3-CE 4.35Å; W260-M272 HydrophobicContact CE3-CG 4.38Å; W260-M272 HydrophobicContact CH2-CB 4.05Å; W260-M272 HydrophobicContact CH2-CG 4.3Å; W260-M272 HydrophobicContact CZ3-CB 3.94Å; W260-M272 HydrophobicContact CZ3-CE 4.09Å; W260-M272 HydrophobicContact CZ3-CG 3.66Å; W260-M272 HydrophobicContact CZ3-SD 4.09Å; I267-M272 HydrophobicContact CG2-CB 4.29Å; T268-M272 PolarHBondContact O-N 2.89Å; M272-V275 PolarHBondContact O-N 3.44Å; M272-L276 WeakPolarHBondContact O-CB 3.35Å; M272-L276 PolarHBondContact O-N 3.39Å; M272-M295 HydrophobicContact CG-CE 4.42Å
273A95.7Very high92.1Very high0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-66.4-3717900000112.9L269 E270 Q271 C277 V288 I291 V292L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 3.02Å; E270-A273 PolarHBondContact O-N 3.13Å; Q271-A273 VanDerWaalsContact C-N 3.32Å; Q271-A273 PolarHBondContact O-N 3.03Å; A273-C277 WeakPolarHBondContact O-CB 3.34Å; A273-C277 PolarHBondContact O-N 3.42Å; A273-C277 PolarHBondContact O-SG 3.24Å; A273-V288 HydrophobicContact CB-CB 4.36Å; A273-V288 HydrophobicContact CB-CG1 4Å; A273-V288 HydrophobicContact CB-CG2 4.3Å; A273-I291 HydrophobicContact CB-CB 3.84Å; A273-I291 HydrophobicContact CB-CD1 4.18Å; A273-I291 HydrophobicContact CB-CG2 3.65Å; A273-V292 HydrophobicContact CB-CG2 3.94Å
274E93.4Very high92.1Very high109 Ų10958.6 Ų58.651%0.50931%0.306SS..Hα-helixtrans-63.8-46.9174.5-77.4174.9-176.900111.5E270 Q271 L276 C277 D278 V288E270-E274 WeakPolarHBondContact O-CB 3.45Å; E270-E274 WeakPolarHBondContact O-CG 3.49Å; E270-E274 PolarHBondContact O-N 2.99Å; Q271-E274 PolarHBondContact O-N 3.13Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.77Å; E274-C277 PolarHBondContact O-N 3.38Å; E274-D278 PolarHBondContact O-N 3.49Å; E274-V288 HydrophobicContact CG-CG1 4.4Å; E274-V288 HydrophobicContact CG-CG2 3.94Å
275V91Very high92.3Very high63 Ų6362.6 Ų62.638%0.38233%0.327SS..Hα-helixtrans-60.5-45.8176.1172.50000110.5Q271 M272 C277 D278 D279Q271-V275 WeakPolarHBondContact O-CG2 3.47Å; Q271-V275 PolarHBondContact O-N 2.96Å; M272-V275 PolarHBondContact O-N 3.44Å; V275-C277 VanDerWaalsContact C-N 3.33Å; V275-C277 PolarHBondContact O-N 3.11Å; V275-D278 WeakPolarHBondContact O-CB 3.24Å; V275-D278 PolarHBondContact O-N 3.46Å; V275-D278 VanDerWaalsContact O-N 3.15Å; V275-D279 PolarHBondContact O-N 2.94Å
276L93.3Very high92.6Very high18 Ų1858.5 Ų58.59%0.09431%0.31CS..Hα-helixtrans-61.4-41.2177.7-176.361.4000112.3L245 L254 M272 E274 D278 L280 I291L245-L276 HydrophobicContact CD1-CD2 3.61Å; L254-L276 HydrophobicContact CD2-CD2 4.24Å; M272-L276 WeakPolarHBondContact O-CB 3.35Å; M272-L276 PolarHBondContact O-N 3.39Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.77Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-L280 HydrophobicContact CD1-CD1 3.6Å; L276-L280 HydrophobicContact CD1-CG 4.06Å; L276-L280 HydrophobicContact CG-CD1 4.04Å; L276-L280 WeakPolarHBondContact O-CB 3.33Å; L276-L280 WeakPolarHBondContact O-CG 3.29Å; L276-L280 PolarHBondContact O-N 3.3Å; L276-L280 VanDerWaalsContact O-N 3.14Å; L276-I291 HydrophobicContact CD2-CD1 4.17Å
277C92.9Very high93Very high2 Ų256.2 Ų56.21%0.01430%0.298CS..Hα-helixtrans-65.5-38.9175.8-69.20000111.8A273 E274 V275 D281 L282 P284 F287 V288A273-C277 WeakPolarHBondContact O-CB 3.34Å; A273-C277 PolarHBondContact O-N 3.42Å; A273-C277 PolarHBondContact O-SG 3.24Å; E274-C277 PolarHBondContact O-N 3.38Å; V275-C277 VanDerWaalsContact C-N 3.33Å; V275-C277 PolarHBondContact O-N 3.11Å; C277-D281 PolarHBondContact O-N 3.45Å; C277-L282 HydrophobicContact CB-CB 4.21Å; C277-L282 PolarHBondContact O-N 3.32Å; C277-P284 HydrophobicContact CB-CB 4.31Å; C277-F287 WeakPolarHBondContact SG-CB 3.44Å; C277-V288 HydrophobicContact CB-CG2 4.49Å
278D89.1Confident93.4Very high92 Ų9253.3 Ų53.349%0.49228%0.284SS..Hα-helixtrans-63.8-51.9176.2-170.362.9000110.8R207 E274 V275 L276 L280 D281R207-D278 IonicContact CZ-OD2 3.55Å; R207-D278 IonicContact NH1-OD2 3.46Å; R207-D278 PolarHBondContact NH1-OD2 2.99Å; R207-D278 PolarHBondContact NH2-O 3.31Å; R207-D278 IonicContact NH2-OD1 2.75Å; R207-D278 PolarHBondContact NH2-OD1 2.97Å; R207-D278 IonicContact NH2-OD2 2.72Å; R207-D278 PolarHBondContact NH2-OD2 3.42Å; E274-D278 PolarHBondContact O-N 3.49Å; V275-D278 WeakPolarHBondContact O-CB 3.24Å; V275-D278 PolarHBondContact O-N 3.46Å; V275-D278 VanDerWaalsContact O-N 3.15Å; L276-D278 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.45Å; D278-D281 PolarHBondContact O-N 3.46Å; D278-D281 VanDerWaalsContact O-N 3.11Å
279D89.1Confident93.7Very high73 Ų7354.2 Ų54.239%0.3929%0.291SS..Hα-helixtrans-58.5-35.5-178.1-75.3-19.1000113S204 V275S204-D279 PolarHBondContact N-O 3.42Å; V275-D279 PolarHBondContact O-N 2.94Å
280L92.5Very high93.7Very high17 Ų1754.4 Ų54.49%0.08930%0.296CS..THydrogen-bonded Turntrans-96.51.4-178.4-59.2-177.4000113.9T201 I203 L254 L276 D278 L282T201-L280 HydrophobicContact CG2-CD1 4.28Å; T201-L280 HydrophobicContact CG2-CD2 4.46Å; I203-L280 HydrophobicContact CG1-CD2 4.26Å; L254-L280 HydrophobicContact CD1-CD1 3.38Å; L276-L280 HydrophobicContact CD1-CD1 3.6Å; L276-L280 HydrophobicContact CD1-CG 4.06Å; L276-L280 HydrophobicContact CG-CD1 4.04Å; L276-L280 WeakPolarHBondContact O-CB 3.33Å; L276-L280 WeakPolarHBondContact O-CG 3.29Å; L276-L280 PolarHBondContact O-N 3.3Å; L276-L280 VanDerWaalsContact O-N 3.14Å; D278-L280 PolarHBondContact O-N 3.45Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 HydrophobicContact CB-CD1 3.82Å; L280-L282 HydrophobicContact CB-CG 3.76Å; L280-L282 HydrophobicContact CD1-CD1 4.05Å; L280-L282 PolarHBondContact O-N 2.82Å
281D90.8Very high93.8Very high125 Ų12551.4 Ų51.467%0.66828%0.282SS*.THydrogen-bonded Turntrans54.445.2-177-163.225.6000112.7C277 D278C277-D281 PolarHBondContact O-N 3.45Å; D278-D281 PolarHBondContact O-N 3.46Å; D278-D281 VanDerWaalsContact O-N 3.11Å
282L92.9Very high94.1Very high19 Ų1949.6 Ų49.610%0.09927%0.274CS..  trans-97.9152179.1-59.9174.6000111.1V252 L254 C277 L280 P284 F287V252-L282 HydrophobicContact CG1-CD2 3.69Å; L254-L282 HydrophobicContact CB-CD1 4.14Å; L254-L282 HydrophobicContact CD1-CD1 3.99Å; L254-L282 HydrophobicContact CD2-CD1 4.07Å; L254-L282 HydrophobicContact CG-CD1 4.29Å; C277-L282 HydrophobicContact CB-CB 4.21Å; C277-L282 PolarHBondContact O-N 3.32Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 HydrophobicContact CB-CD1 3.82Å; L280-L282 HydrophobicContact CB-CG 3.76Å; L280-L282 HydrophobicContact CD1-CD1 4.05Å; L280-L282 PolarHBondContact O-N 2.82Å; L282-P284 WeakPolarHBondContact O-CD 3.36Å; L282-F287 HydrophobicContact CB-CD2 3.89Å; L282-F287 HydrophobicContact CB-CE2 4.33Å; L282-F287 HydrophobicContact CB-CG 4.18Å; L282-F287 HydrophobicContact CD1-CD1 4.21Å; L282-F287 HydrophobicContact CD1-CE1 4.47Å; L282-F287 HydrophobicContact CD1-CG 4.28Å; L282-F287 HydrophobicContact CD2-CE2 4.22Å; L282-F287 HydrophobicContact CD2-CZ 4.3Å
283N92.8Very high94.2Very high71 Ų7152 Ų5238%0.3829%0.288SS..  trans-69.9109.7175.8-179.810.7000111I285 N286 F287N283-I285 PolarHBondContact O-N 2.67Å; N283-I285 PolarHBondContact OD1-N 2.77Å; N283-N286 PolarHBondContact ND2-ND2 2.81Å; N283-N286 VanDerWaalsContact ND2-ND2 3.18Å; N283-N286 PolarHBondContact O-N 2.76Å; N283-F287 WeakPolarHBondContact O-CD2 3.37Å; N283-F287 PolarHBondContact O-N 3.11Å; N283-F287 VanDerWaalsContact O-N 3.1Å
284P93.5Very high94.3Very high69 Ų6952.9 Ų52.945%0.44830%0.295SS..Hα-helixtrans-65.1-26.9-174.226.9-35.4000112.8C277 L282 N286 V288C277-P284 HydrophobicContact CB-CB 4.31Å; L282-P284 WeakPolarHBondContact O-CD 3.36Å; P284-N286 PolarHBondContact O-N 3.19Å; P284-V288 HydrophobicContact CB-CG2 3.83Å; P284-V288 VanDerWaalsContact O-CB 3.23Å; P284-V288 WeakPolarHBondContact O-CB 3.28Å; P284-V288 WeakPolarHBondContact O-CG2 3.41Å; P284-V288 PolarHBondContact O-N 3.33Å
285I94.9Very high94.4Very high132 Ų13247.7 Ų47.768%0.67727%0.271SS*.Hα-helixtrans-58.7-38.4-179.5-62.2171.1000111.3N283N283-I285 PolarHBondContact O-N 2.67Å; N283-I285 PolarHBondContact OD1-N 2.77Å
286N94.4Very high94.7Very high55 Ų5550.4 Ų50.429%0.29427%0.274SS..Hα-helixtrans-98.2-38.5-175.5-61-24.9000111.7C249 D250 N283 P284C249-N286 HydrophobicContact CB-CB 4.04Å; D250-N286 PolarHBondContact OD2-ND2 3.01Å; N283-N286 PolarHBondContact ND2-ND2 2.81Å; N283-N286 VanDerWaalsContact ND2-ND2 3.18Å; N283-N286 PolarHBondContact O-N 2.76Å; P284-N286 PolarHBondContact O-N 3.19Å
287F97Very high94.8Very high5 Ų553.7 Ų53.72%0.02229%0.289CS..Hα-helixtrans-82.7-38.8-174.2-79.6-83.9000113.7I247 C249 V252 L254 C277 L282 N283 A290 I291I247-F287 HydrophobicContact CG2-CD1 3.96Å; I247-F287 HydrophobicContact CG2-CE1 3.95Å; C249-F287 HydrophobicContact CB-CD2 4.3Å; C249-F287 HydrophobicContact CB-CE1 4.18Å; C249-F287 HydrophobicContact CB-CE2 3.84Å; C249-F287 HydrophobicContact CB-CZ 3.77Å; V252-F287 HydrophobicContact CB-CE2 4.1Å; V252-F287 HydrophobicContact CB-CZ 3.86Å; V252-F287 HydrophobicContact CG1-CE2 4.1Å; V252-F287 HydrophobicContact CG1-CZ 3.8Å; V252-F287 WeakPolarHBondContact O-CZ 3.35Å; L254-F287 HydrophobicContact CB-CD1 3.96Å; L254-F287 HydrophobicContact CB-CE1 3.62Å; L254-F287 HydrophobicContact CD2-CD1 4.05Å; C277-F287 WeakPolarHBondContact SG-CB 3.44Å; L282-F287 HydrophobicContact CB-CD2 3.89Å; L282-F287 HydrophobicContact CB-CE2 4.33Å; L282-F287 HydrophobicContact CB-CG 4.18Å; L282-F287 HydrophobicContact CD1-CD1 4.21Å; L282-F287 HydrophobicContact CD1-CE1 4.47Å; L282-F287 HydrophobicContact CD1-CG 4.28Å; L282-F287 HydrophobicContact CD2-CE2 4.22Å; L282-F287 HydrophobicContact CD2-CZ 4.3Å; N283-F287 WeakPolarHBondContact O-CD2 3.37Å; N283-F287 PolarHBondContact O-N 3.11Å; N283-F287 VanDerWaalsContact O-N 3.1Å; F287-A290 PolarHBondContact O-N 2.94Å; F287-A290 VanDerWaalsContact O-N 3.14Å; F287-I291 HydrophobicContact CB-CD1 4.12Å; F287-I291 WeakPolarHBondContact O-CB 3.46Å; F287-I291 WeakPolarHBondContact O-CD1 3.36Å; F287-I291 WeakPolarHBondContact O-CG1 3.31Å; F287-I291 PolarHBondContact O-N 2.81Å
288V96.9Very high95Very high18 Ų1854.7 Ų54.711%0.10929%0.294CS..Hα-helixtrans-57.8-51-177.41710000111.8A273 E274 C277 P284 A290 I291 V292A273-V288 HydrophobicContact CB-CB 4.36Å; A273-V288 HydrophobicContact CB-CG1 4Å; A273-V288 HydrophobicContact CB-CG2 4.3Å; E274-V288 HydrophobicContact CG-CG1 4.4Å; E274-V288 HydrophobicContact CG-CG2 3.94Å; C277-V288 HydrophobicContact CB-CG2 4.49Å; P284-V288 HydrophobicContact CB-CG2 3.83Å; P284-V288 VanDerWaalsContact O-CB 3.23Å; P284-V288 WeakPolarHBondContact O-CB 3.28Å; P284-V288 WeakPolarHBondContact O-CG2 3.41Å; P284-V288 PolarHBondContact O-N 3.33Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 2.89Å; V288-I291 PolarHBondContact O-N 3.44Å; V288-V292 HydrophobicContact CG1-CG2 4.32Å; V288-V292 WeakPolarHBondContact O-CB 3.28Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.42Å
289P97.6Very high95.2Very high79 Ų7951.3 Ų51.351%0.51328%0.275SS..Hα-helixtrans-62.1-36178.3-21.934.3000113N293P289-N293 VanDerWaalsContact O-CB 3.29Å; P289-N293 WeakPolarHBondContact O-CB 3.26Å; P289-N293 PolarHBondContact O-N 3.47Å
290A97.1Very high95.4Very high29 Ų2954.1 Ų54.124%0.2429%0.29CS..Hα-helixtrans-69-43.2179.600000112.1I247 F287 V288 A294I247-A290 HydrophobicContact CD1-CB 4.2Å; I247-A290 HydrophobicContact CG2-CB 3.75Å; F287-A290 PolarHBondContact O-N 2.94Å; F287-A290 VanDerWaalsContact O-N 3.14Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 2.89Å; A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 3.46Å
291I97.9Very high95.3Very high1 Ų155.2 Ų55.21%0.00530%0.302CS..Hα-helixtrans-62.6-51.5176.3-66160000109.7L245 I247 L254 A273 L276 F287 V288 N293 A294 M295L245-I291 HydrophobicContact CD1-CG1 4.36Å; L245-I291 HydrophobicContact CD1-CG2 3.98Å; L245-I291 HydrophobicContact CD2-CG2 4.4Å; I247-I291 HydrophobicContact CD1-CB 4.28Å; I247-I291 HydrophobicContact CD1-CG1 3.71Å; L254-I291 HydrophobicContact CD2-CD1 3.62Å; L254-I291 HydrophobicContact CD2-CG1 3.64Å; A273-I291 HydrophobicContact CB-CB 3.84Å; A273-I291 HydrophobicContact CB-CD1 4.18Å; A273-I291 HydrophobicContact CB-CG2 3.65Å; L276-I291 HydrophobicContact CD2-CD1 4.17Å; F287-I291 HydrophobicContact CB-CD1 4.12Å; F287-I291 WeakPolarHBondContact O-CB 3.46Å; F287-I291 WeakPolarHBondContact O-CD1 3.36Å; F287-I291 WeakPolarHBondContact O-CG1 3.31Å; F287-I291 PolarHBondContact O-N 2.81Å; V288-I291 PolarHBondContact O-N 3.44Å; I291-N293 VanDerWaalsContact C-N 3.32Å; I291-N293 PolarHBondContact O-N 3.47Å; I291-A294 PolarHBondContact O-N 2.95Å; I291-A294 VanDerWaalsContact O-N 3.13Å; I291-M295 HydrophobicContact CG2-CG 4.24Å; I291-M295 HydrophobicContact CG2-SD 3.87Å; I291-M295 WeakPolarHBondContact O-CG 3.41Å; I291-M295 PolarHBondContact O-N 3.28Å
292V98.3Very high95.3Very high8 Ų850.8 Ų50.85%0.04828%0.277CS..Hα-helixtrans-57.9-45.7-179.7171.80000111L269 E270 A273 V288 M295 R296L269-V292 HydrophobicContact CB-CG1 4.22Å; L269-V292 HydrophobicContact CB-CG2 4.22Å; E270-V292 HydrophobicContact CB-CG2 4.48Å; E270-V292 HydrophobicContact CG-CG2 4.09Å; A273-V292 HydrophobicContact CB-CG2 3.94Å; V288-V292 HydrophobicContact CG1-CG2 4.32Å; V288-V292 WeakPolarHBondContact O-CB 3.28Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.27Å; V288-V292 PolarHBondContact O-N 3.42Å; V292-M295 PolarHBondContact O-N 3.07Å; V292-R296 HydrophobicContact CG1-CG 4.4Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 WeakPolarHBondContact O-CG 3.34Å; V292-R296 PolarHBondContact O-N 3.09Å
293N97.4Very high94.9Very high107 Ų10751.8 Ų51.857%0.57228%0.284SS*.Hα-helixtrans-63.2-42.9177.7-17672.2000112.1P289 I291 Q297P289-N293 VanDerWaalsContact O-CB 3.29Å; P289-N293 WeakPolarHBondContact O-CB 3.26Å; P289-N293 PolarHBondContact O-N 3.47Å; I291-N293 VanDerWaalsContact C-N 3.32Å; I291-N293 PolarHBondContact O-N 3.47Å; N293-Q297 WeakPolarHBondContact O-CB 3.33Å; N293-Q297 PolarHBondContact O-N 2.85Å
294A96.5Very high94Very high18 Ų1854.8 Ų54.815%0.14930%0.298CS..Hα-helixtrans-64.5-38.9177.400000112.5L245 I247 A290 I291 Q298L245-A294 HydrophobicContact CD2-CB 4.04Å; I247-A294 HydrophobicContact CD1-CB 4.26Å; A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 3.46Å; I291-A294 PolarHBondContact O-N 2.95Å; I291-A294 VanDerWaalsContact O-N 3.13Å; A294-Q298 WeakPolarHBondContact O-CG 3.31Å; A294-Q298 PolarHBondContact O-N 3.18Å; A294-Q298 PolarHBondContact O-NE2 3.2Å; A294-Q298 VanDerWaalsContact O-NE2 3.09Å
295M97.4Very high92.9Very high0 Ų056.6 Ų56.60%030%0.304CS..Hα-helixtrans-67.5-50.9176.1-70.5-176.977.300111.2I243 L245 F258 W260 L269 M272 I291 V292 Q297 Q298 I299I243-M295 HydrophobicContact CG2-CG 4.06Å; L245-M295 HydrophobicContact CD2-CG 4.32Å; F258-M295 HydrophobicContact CE2-CE 3.71Å; F258-M295 HydrophobicContact CZ-CE 3.79Å; F258-M295 HydrophobicContact CZ-SD 4.14Å; W260-M295 HydrophobicContact CB-CE 4.45Å; W260-M295 HydrophobicContact CD2-CE 3.76Å; W260-M295 HydrophobicContact CE3-CE 3.74Å; W260-M295 HydrophobicContact CG-CE 4.07Å; W260-M295 HydrophobicContact CZ3-CE 4.32Å; L269-M295 HydrophobicContact CD1-CB 4.39Å; L269-M295 HydrophobicContact CD2-CB 4.25Å; L269-M295 HydrophobicContact CD2-CE 3.56Å; L269-M295 HydrophobicContact CD2-SD 4.08Å; M272-M295 HydrophobicContact CG-CE 4.42Å; I291-M295 HydrophobicContact CG2-CG 4.24Å; I291-M295 HydrophobicContact CG2-SD 3.87Å; I291-M295 WeakPolarHBondContact O-CG 3.41Å; I291-M295 PolarHBondContact O-N 3.28Å; V292-M295 PolarHBondContact O-N 3.07Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; M295-Q297 PolarHBondContact O-N 3.41Å; M295-Q298 PolarHBondContact O-N 3.3Å; M295-Q298 VanDerWaalsContact O-N 3.1Å; M295-I299 HydrophobicContact CB-CD1 4.38Å; M295-I299 WeakPolarHBondContact O-CB 3.37Å; M295-I299 VanDerWaalsContact O-CG1 3.24Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.22Å
296R97.1Very high91.8Very high120 Ų12054.1 Ų54.145%0.45329%0.292SS..Hα-helixtrans-54.2-48.7177.5-75.2-178.6176.51586.3111.4L269 E270 V292 Q298 I299 D300L269-R296 HydrophobicContact CD1-CG 3.42Å; L269-R296 VanDerWaalsContact CD1-CG 3.42Å; E270-R296 IonicContact OE1-CZ 3.09Å; E270-R296 IonicContact OE1-NH2 3.99Å; E270-R296 PolarHBondContact OE1-NH2 2.97Å; E270-R296 IonicContact OE2-NH2 2.73Å; V292-R296 HydrophobicContact CG1-CG 4.4Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 WeakPolarHBondContact O-CG 3.34Å; V292-R296 PolarHBondContact O-N 3.09Å; R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 2.73Å; R296-I299 PolarHBondContact O-N 3.05Å; R296-D300 WeakPolarHBondContact O-CB 3.39Å; R296-D300 PolarHBondContact O-N 3.03Å
297Q95.7Very high90.7Very high87 Ų8758.5 Ų58.541%0.40731%0.309SS..Hα-helixtrans-58.1-41.2178.6-174.3-179.520.100112.7P188 N293 M295 A301P188-Q297 HydrophobicContact CB-CG 4.37Å; P188-Q297 HydrophobicContact CG-CG 3.86Å; N293-Q297 WeakPolarHBondContact O-CB 3.33Å; N293-Q297 PolarHBondContact O-N 2.85Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; M295-Q297 PolarHBondContact O-N 3.41Å; Q297-A301 WeakPolarHBondContact O-CB 3.5Å; Q297-A301 PolarHBondContact O-N 2.95Å; Q297-A301 VanDerWaalsContact O-N 3.15Å
298Q95.2Very high89.6Confident24 Ų2458.6 Ų58.611%0.11231%0.309CS..Hα-helixtrans-73.6-40.4179.6-74.717681.700112.3F192 I243 R244 A294 M295 R296 A301 H302F192-Q298 HydrophobicContact CZ-CG 4.46Å; I243-Q298 HydrophobicContact CD1-CB 3.72Å; R244-Q298 PolarHBondContact O-NE2 2.95Å; R244-Q298 PolarHBondContact O-OE1 2.85Å; A294-Q298 WeakPolarHBondContact O-CG 3.31Å; A294-Q298 PolarHBondContact O-N 3.18Å; A294-Q298 PolarHBondContact O-NE2 3.2Å; A294-Q298 VanDerWaalsContact O-NE2 3.09Å; M295-Q298 PolarHBondContact O-N 3.3Å; M295-Q298 VanDerWaalsContact O-N 3.1Å; R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 2.73Å; Q298-A301 PolarHBondContact O-N 3.15Å; Q298-H302 WeakPolarHBondContact O-CB 3.15Å; Q298-H302 PolarHBondContact O-N 2.77Å; Q298-H302 VanDerWaalsContact O-N 3.07Å
299I95.2Very high88.5Confident20 Ų2063.3 Ų63.310%0.10334%0.338CS..Hα-helixtrans-63.1-45.1176.9-66.7164.9000110.6V241 I243 W260 R262 L269 M295 R296 A301V241-I299 HydrophobicContact CG1-CG1 4.43Å; I243-I299 HydrophobicContact CD1-CG1 4Å; W260-I299 HydrophobicContact CG-CD1 4.3Å; R262-I299 HydrophobicContact CG-CG2 4.22Å; R262-I299 PolarHBondContact NH2-O 2.89Å; L269-I299 HydrophobicContact CD1-CD1 4.27Å; L269-I299 HydrophobicContact CD2-CD1 3.95Å; M295-I299 HydrophobicContact CB-CD1 4.38Å; M295-I299 WeakPolarHBondContact O-CB 3.37Å; M295-I299 VanDerWaalsContact O-CG1 3.24Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.22Å; R296-I299 PolarHBondContact O-N 3.05Å; I299-A301 VanDerWaalsContact C-N 3.34Å
300D93.5Very high87.6Confident132 Ų13263.3 Ų63.371%0.70635%0.352SS*.Hα-helixtrans-69.3-33.2-179.6-67.4-18.3000112.1R296R296-D300 WeakPolarHBondContact O-CB 3.39Å; R296-D300 PolarHBondContact O-N 3.03Å
301A90.1Very high86.9Confident40 Ų4065.9 Ų65.933%0.33136%0.359SS..Hα-helixtrans-82.4-18.1-178.900000114.4P188 Q297 Q298 I299P188-A301 HydrophobicContact CB-CB 3.84Å; P188-A301 HydrophobicContact CG-CB 3.67Å; Q297-A301 WeakPolarHBondContact O-CB 3.5Å; Q297-A301 PolarHBondContact O-N 2.95Å; Q297-A301 VanDerWaalsContact O-N 3.15Å; Q298-A301 PolarHBondContact O-N 3.15Å; I299-A301 VanDerWaalsContact C-N 3.34Å
302H90.5Very high86.3Confident33 Ų3371.6 Ų71.615%0.15339%0.394CS..SBendtrans-71.6134.7-177.5-177.886.6000110.6V241 P242 R262 Q298V241-H302 HydrophobicContact CG1-CB 3.73Å; V241-H302 HydrophobicContact CG2-CB 4.28Å; P242-H302 VanDerWaalsContact CD-CE1 3.5Å; P242-H302 WeakPolarHBondContact CD-CE1 3.12Å; R262-H302 VanDerWaalsContact NH2-CB 3.33Å; R262-H302 PolarHBondContact NH2-O 3.17Å; Q298-H302 WeakPolarHBondContact O-CB 3.15Å; Q298-H302 PolarHBondContact O-N 2.77Å; Q298-H302 VanDerWaalsContact O-N 3.07Å
303P83.2Confident85.7Confident39 Ų3974 Ų7425%0.25341%0.407SS..  trans-58.7148.5-177.823.8-33.2000112.1R262 A374R262-P303 PolarHBondContact NH1-O 2.96Å; P303-A374 HydrophobicContact CG-CB 4.36Å
304M74.5Confident85.3Confident134 Ų13469 Ų6966%0.6638%0.381SS*.  trans-107.5-33177.3-68-86.6-173.400112R262R262-M304 VanDerWaalsContact CD-CE 3.42Å; R262-M304 VanDerWaalsContact NE-CE 3.25Å; R262-M304 PolarHBondContact NH1-SD 3.23Å
305N71.4Confident85Confident107 Ų10769.5 Ų69.557%0.57238%0.379SS*.SBendtrans-96.6130.9-172.6-63.7-19.8000109.7F307N305-F307 HydrophobicContact CB-CD1 4.49Å; N305-F307 HydrophobicContact CB-CE1 4.06Å; N305-F307 HydrophobicContact CB-CE2 4.1Å; N305-F307 HydrophobicContact CB-CZ 3.86Å; N305-F307 WeakPolarHBondContact O-CD2 3.39Å; N305-F307 PolarHBondContact O-N 3.47Å
306D71.4Confident84.7Confident81 Ų8170 Ų7043%0.43338%0.382SS..  trans-78.7101.5164.1-172.51.8000108.7L308 V309D306-L308 PolarHBondContact O-N 3Å; D306-L308 WeakPolarHBondContact OD1-CB 3.33Å; D306-L308 PolarHBondContact OD1-N 3.22Å; D306-V309 HydrophobicContact CB-CG2 3.96Å; D306-V309 WeakPolarHBondContact O-CG2 2.92Å
307F71.7Confident84.6Confident146 Ų14666.4 Ų66.464%0.6437%0.371SS*.THydrogen-bonded Turntrans-76.4-4.9177.4-61.1-76.9000112.7N305N305-F307 HydrophobicContact CB-CD1 4.49Å; N305-F307 HydrophobicContact CB-CE1 4.06Å; N305-F307 HydrophobicContact CB-CE2 4.1Å; N305-F307 HydrophobicContact CB-CZ 3.86Å; N305-F307 WeakPolarHBondContact O-CD2 3.39Å; N305-F307 PolarHBondContact O-N 3.47Å
308L73.1Confident84.6Confident7 Ų762.3 Ų62.34%0.03735%0.352CS..THydrogen-bonded Turntrans-101.66-173.9-52.5176000112.4D306 G310 Q311 L337 Q377 Y380D306-L308 PolarHBondContact O-N 3Å; D306-L308 WeakPolarHBondContact OD1-CB 3.33Å; D306-L308 PolarHBondContact OD1-N 3.22Å; L308-G310 PolarHBondContact O-N 2.88Å; L308-G310 VanDerWaalsContact O-N 3.13Å; L308-Q311 WeakPolarHBondContact O-CB 3.48Å; L308-Q311 PolarHBondContact O-N 2.77Å; L308-L337 HydrophobicContact CD1-CB 3.39Å; L308-L337 HydrophobicContact CD1-CD1 3.94Å; L308-L337 HydrophobicContact CD1-CG 4.2Å; L308-Q377 HydrophobicContact CD1-CG 4.38Å; L308-Y380 HydrophobicContact CD2-CD1 3.53Å; L308-Y380 HydrophobicContact CD2-CE1 3.84Å; L308-Y380 HydrophobicContact CD2-CG 4.2Å
309V73.4Confident84.7Confident117 Ų11767.9 Ų67.971%0.70937%0.372SS*.THydrogen-bonded Turntrans-54.1120175.6176.10000110.2D306D306-V309 HydrophobicContact CB-CG2 3.96Å; D306-V309 WeakPolarHBondContact O-CG2 2.92Å
310G78.3Confident84.8Confident79 Ų7967 Ų6781%0.81437%0.368SS*.THydrogen-bonded Turntrans86.6-2.5179.900000115.1L308L308-G310 PolarHBondContact O-N 2.88Å; L308-G310 VanDerWaalsContact O-N 3.13Å
311Q82.6Confident84.8Confident83 Ų8363.4 Ų63.439%0.38835%0.348SS..  trans-79161.5165.6-58.1-168.21.700110.3L308 T314 S338 Y380L308-Q311 WeakPolarHBondContact O-CB 3.48Å; L308-Q311 PolarHBondContact O-N 2.77Å; Q311-T314 HydrophobicContact CB-CG2 3.58Å; Q311-T314 HydrophobicContact CG-CG2 4.48Å; Q311-T314 VanDerWaalsContact OE1-CG2 3.23Å; Q311-S338 VanDerWaalsContact O-CB 3.31Å; Q311-S338 WeakPolarHBondContact O-CB 3.28Å; Q311-Y380 VanDerWaalsContact OE1-CE1 3.31Å
312T86.2Confident85Confident121 Ų12161.5 Ų61.574%0.74233%0.332SS*.  trans-137.8148.5177.158.10000108.9T314 S338T312-T314 PolarHBondContact O-N 3.44Å; T312-S338 WeakPolarHBondContact CA-OG 3.47Å
313D86Confident85.1Confident59 Ų5960.3 Ų60.332%0.31633%0.327SS..  trans56.846178.3-163.725.3000113.5R315 S338 T389D313-R315 VanDerWaalsContact C-N 3.28Å; D313-R315 PolarHBondContact O-N 3.33Å; D313-R315 IonicContact OD1-CZ 2.72Å; D313-R315 IonicContact OD1-NE 2.76Å; D313-R315 PolarHBondContact OD1-NE 2.95Å; D313-R315 IonicContact OD1-NH2 3.98Å; D313-R315 PolarHBondContact OD1-NH2 3.08Å; D313-R315 VanDerWaalsContact OD1-NH2 3.16Å; D313-R315 IonicContact OD2-CZ 3.5Å; D313-R315 IonicContact OD2-NE 2.65Å; D313-R315 IonicContact OD2-NH2 3.34Å; D313-R315 PolarHBondContact OD2-NH2 2.88Å; D313-S338 PolarHBondContact N-OG 3.04Å; D313-T389 WeakPolarHBondContact OD2-CG2 3.36Å
314T88.6Confident85.5Confident3 Ų359.9 Ų59.92%0.01832%0.323CS..  trans-92.861.6178.458.70000110.5Q311 T312 D336 L337 S338 Y380Q311-T314 HydrophobicContact CB-CG2 3.58Å; Q311-T314 HydrophobicContact CG-CG2 4.48Å; Q311-T314 VanDerWaalsContact OE1-CG2 3.23Å; T312-T314 PolarHBondContact O-N 3.44Å; T314-D336 PolarHBondContact N-OD1 3.42Å; T314-D336 PolarHBondContact OG1-OD1 3.01Å; T314-L337 WeakPolarHBondContact O-CB 3.49Å; T314-L337 PolarHBondContact O-N 3.5Å; T314-S338 PolarHBondContact N-OG 2.67Å; T314-S338 WeakPolarHBondContact OG1-CB 3.12Å; T314-S338 PolarHBondContact OG1-N 2.94Å; T314-S338 PolarHBondContact OG1-OG 3.5Å; T314-Y380 HydrophobicContact CG2-CE1 4.37Å; T314-Y380 WeakPolarHBondContact CG2-OH 3.37Å
315R90.6Very high86.2Confident27 Ų2756 Ų5610%0.10232%0.317CS..EExtended strand (participates in β ladder)trans-75.7140.6-175.6-75.9-179.2-72.4120.812.3113.6D313 E334 W335 D336 L387 P388 T389D313-R315 VanDerWaalsContact C-N 3.28Å; D313-R315 PolarHBondContact O-N 3.33Å; D313-R315 IonicContact OD1-CZ 2.72Å; D313-R315 IonicContact OD1-NE 2.76Å; D313-R315 PolarHBondContact OD1-NE 2.95Å; D313-R315 IonicContact OD1-NH2 3.98Å; D313-R315 PolarHBondContact OD1-NH2 3.08Å; D313-R315 VanDerWaalsContact OD1-NH2 3.16Å; D313-R315 IonicContact OD2-CZ 3.5Å; D313-R315 IonicContact OD2-NE 2.65Å; D313-R315 IonicContact OD2-NH2 3.34Å; D313-R315 PolarHBondContact OD2-NH2 2.88Å; R315-E334 IonicContact CZ-OE2 3.34Å; R315-E334 IonicContact NE-OE2 3.19Å; R315-E334 IonicContact NH1-OE2 3.56Å; R315-E334 PolarHBondContact NH1-OE2 3.48Å; R315-W335 CarbonylContact C-O 3.58Å; R315-W335 VanDerWaalsContact CA-O 3.31Å; R315-W335 WeakPolarHBondContact CA-O 3.5Å; R315-D336 HydrophobicContact CG-CB 4.01Å; R315-L387 HydrophobicContact CB-CD1 3.89Å; R315-P388 PolarHBondContact NH1-O 3.21Å; R315-P388 PolarHBondContact NH2-O 3.42Å; R315-T389 VanDerWaalsContact NH2-CA 3.34Å
316V91.5Very high87.2Confident11 Ų1153.8 Ų53.87%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-129.3158.1169.8-63.20000110.2I318 E334 W335 L337 L373 H376V316-I318 HydrophobicContact CG2-CD1 4.11Å; V316-E334 CarbonylContact O-C 3.56Å; V316-E334 WeakPolarHBondContact O-CA 3.47Å; V316-W335 HydrophobicContact CG2-CB 4.42Å; V316-W335 PolarHBondContact N-O 3.27Å; V316-W335 PolarHBondContact O-N 3.18Å; V316-L337 HydrophobicContact CB-CD1 4.49Å; V316-L337 HydrophobicContact CG1-CD1 3.58Å; V316-L337 HydrophobicContact CG1-CG 4.34Å; V316-L337 HydrophobicContact CG2-CD1 4.08Å; V316-L337 HydrophobicContact CG2-CD2 4.44Å; V316-L337 HydrophobicContact CG2-CG 4.01Å; V316-L373 HydrophobicContact CG2-CD2 4.39Å; V316-H376 HydrophobicContact CG1-CB 4.09Å; V316-H376 HydrophobicContact CG2-CB 4.37Å
317I93.4Very high88.4Confident45 Ų4552.6 Ų52.623%0.23130%0.299CS..EExtended strand (participates in β ladder)trans-93.5117.9175.6-58.3175.5000108.6R319 Q332 F333 E334 L387 W403I317-R319 HydrophobicContact CG2-CG 4.15Å; I317-Q332 HydrophobicContact CG2-CB 4.44Å; I317-F333 WeakPolarHBondContact CA-O 3.41Å; I317-E334 HydrophobicContact CG1-CG 4.29Å; I317-L387 HydrophobicContact CD1-CD2 4.44Å; I317-L387 HydrophobicContact CG1-CD1 4.06Å; I317-W403 HydrophobicContact CD1-CH2 3.88Å; I317-W403 HydrophobicContact CD1-CZ2 4.48Å; I317-W403 HydrophobicContact CG1-CH2 4.06Å; I317-W403 HydrophobicContact CG2-CH2 4.11Å; I317-W403 HydrophobicContact CG2-CZ3 4.22Å
318I96.2Very high89.5Confident0 Ų045.8 Ų45.80%027%0.269CS..EExtended strand (participates in β ladder)trans-90.5135.5170.7-57-61.6000108.6V316 L320 Q332 F333 W335 I369 Q372 L373V316-I318 HydrophobicContact CG2-CD1 4.11Å; I318-L320 HydrophobicContact CG2-CD2 4.19Å; I318-Q332 WeakPolarHBondContact O-CA 3.31Å; I318-F333 HydrophobicContact CB-CD2 4.02Å; I318-F333 HydrophobicContact CB-CE2 3.57Å; I318-F333 HydrophobicContact CB-CZ 3.95Å; I318-F333 HydrophobicContact CG1-CD2 4.48Å; I318-F333 HydrophobicContact CG1-CE2 4Å; I318-F333 HydrophobicContact CG2-CE1 4.48Å; I318-F333 HydrophobicContact CG2-CE2 3.8Å; I318-F333 HydrophobicContact CG2-CZ 3.69Å; I318-F333 PolarHBondContact N-O 3.12Å; I318-F333 PolarHBondContact O-N 2.76Å; I318-W335 HydrophobicContact CD1-CB 4.42Å; I318-W335 HydrophobicContact CG1-CB 3.58Å; I318-W335 HydrophobicContact CG1-CG 4.24Å; I318-I369 HydrophobicContact CG2-CG1 4.06Å; I318-Q372 HydrophobicContact CD1-CB 3.7Å; I318-L373 HydrophobicContact CD1-CD2 3.79Å; I318-L373 HydrophobicContact CD1-CG 4.39Å; I318-L373 HydrophobicContact CG1-CD2 4.47Å
319R96.7Very high90.6Very high142 Ų14245.4 Ų45.454%0.53627%0.267SS..EExtended strand (participates in β ladder)trans-122.4117.7179.8-63.8178.3179.2-78.3-11.8110.1I317 D331 Q332 Q372I317-R319 HydrophobicContact CG2-CG 4.15Å; R319-D331 CarbonylContact C-O 3.47Å; R319-Q332 HydrophobicContact CG-CB 4.23Å; R319-Q332 VanDerWaalsContact CZ-OE1 3.27Å; R319-Q372 PolarHBondContact O-NE2 3.44Å
320L97.1Very high91.7Very high2 Ų242.9 Ų42.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-92.7132.9175.6-55.2-175.9000110I318 I322 V330 D331 F333 L351 V365 I369I318-L320 HydrophobicContact CG2-CD2 4.19Å; L320-I322 HydrophobicContact CB-CD1 4.36Å; L320-I322 HydrophobicContact CD2-CD1 4.39Å; L320-V330 WeakPolarHBondContact O-CA 3.37Å; L320-D331 HydrophobicContact CB-CB 4.13Å; L320-D331 HydrophobicContact CD1-CB 4.18Å; L320-D331 HydrophobicContact CG-CB 4.4Å; L320-D331 PolarHBondContact N-O 2.94Å; L320-D331 PolarHBondContact O-N 3.39Å; L320-D331 VanDerWaalsContact O-N 3.12Å; L320-F333 HydrophobicContact CD1-CE1 3.7Å; L320-F333 HydrophobicContact CD1-CZ 4.25Å; L320-F333 HydrophobicContact CD2-CZ 4.46Å; L320-F333 HydrophobicContact CG-CE1 3.88Å; L320-F333 HydrophobicContact CG-CZ 4.31Å; L320-L351 HydrophobicContact CD1-CD2 3.78Å; L320-V365 HydrophobicContact CD1-CG1 3.82Å; L320-V365 HydrophobicContact CD1-CG2 4.18Å; L320-V365 HydrophobicContact CD2-CG1 4.42Å; L320-I369 HydrophobicContact CD2-CG1 4.17Å
321N94.7Very high92.7Very high56 Ų5639.8 Ų39.830%0.29922%0.217SC..EExtended strand (participates in β ladder)trans-145.592.2169-172.5-12000107.9S196 V197 H323 L329S196-N321 WeakPolarHBondContact CA-O 3.19Å; S196-N321 VanDerWaalsContact OG-CG 3.24Å; S196-N321 PolarHBondContact OG-ND2 3.12Å; V197-N321 PolarHBondContact N-O 2.98Å; N321-H323 PolarHBondContact OD1-CE1 3.46Å; N321-H323 PolarHBondContact OD1-NE2 2.85Å; N321-L329 WeakPolarHBondContact CA-O 3.34Å
322I94.9Very high93.3Very high0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-124.8136.4-166-61.6170.8000109V197 L320 V324 S328 L329 F361 A364 V365V197-I322 HydrophobicContact CB-CG1 4.15Å; V197-I322 HydrophobicContact CG2-CG1 3.77Å; L320-I322 HydrophobicContact CB-CD1 4.36Å; L320-I322 HydrophobicContact CD2-CD1 4.39Å; I322-V324 HydrophobicContact CG2-CG2 4.21Å; I322-S328 WeakPolarHBondContact O-CA 3.31Å; I322-L329 HydrophobicContact CB-CB 4.43Å; I322-L329 PolarHBondContact N-O 3.11Å; I322-L329 PolarHBondContact O-N 2.93Å; I322-F361 HydrophobicContact CG2-CD1 3.92Å; I322-F361 HydrophobicContact CG2-CE1 4.1Å; I322-A364 HydrophobicContact CD1-CB 4.26Å; I322-A364 HydrophobicContact CG2-CB 3.68Å; I322-V365 HydrophobicContact CD1-CB 4.1Å; I322-V365 HydrophobicContact CD1-CG2 3.42Å; I322-V365 VanDerWaalsContact CD1-CG2 3.42Å
323H92.4Very high93.8Very high8 Ų832 Ų324%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-127.8124.1180-60.4-32.4000109.3N321 I327 S328 M415 K418N321-H323 PolarHBondContact OD1-CE1 3.46Å; N321-H323 PolarHBondContact OD1-NE2 2.85Å; H323-I327 WeakPolarHBondContact CA-O 3.17Å; H323-S328 PolarHBondContact CE1-OG 3.17Å; H323-S328 PolarHBondContact ND1-OG 3.04Å; H323-M415 HydrophobicContact CB-CE 3.74Å; H323-M415 HydrophobicContact CB-SD 4.26Å; H323-K418 PolarHBondContact CE1-NZ 3.01Å; H323-K418 WeakPolarHBondContact NE2-CD 3.41Å
324V90.9Very high94.2Very high29 Ų2931.8 Ų31.818%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-135.9125.3171.4-167.20000109.9I322 N326 I327 E360 F361I322-V324 HydrophobicContact CG2-CG2 4.21Å; V324-N326 PolarHBondContact O-N 3.15Å; V324-N326 VanDerWaalsContact O-N 3.12Å; V324-I327 PolarHBondContact N-O 3.02Å; V324-I327 PolarHBondContact O-N 3.43Å; V324-E360 HydrophobicContact CB-CG 4.09Å; V324-E360 HydrophobicContact CG1-CB 4.2Å; V324-E360 HydrophobicContact CG1-CG 3.38Å; V324-E360 HydrophobicContact CG2-CG 4.22Å; V324-F361 HydrophobicContact CB-CD2 4.31Å; V324-F361 HydrophobicContact CB-CE1 4.18Å; V324-F361 HydrophobicContact CB-CE2 3.66Å; V324-F361 HydrophobicContact CB-CZ 3.57Å; V324-F361 HydrophobicContact CG2-CD1 4.08Å; V324-F361 HydrophobicContact CG2-CD2 4.16Å; V324-F361 HydrophobicContact CG2-CE1 3.83Å; V324-F361 HydrophobicContact CG2-CE2 3.92Å; V324-F361 HydrophobicContact CG2-CG 4.23Å; V324-F361 HydrophobicContact CG2-CZ 3.74Å
325G89.6Confident94.5Very high52 Ų5232.5 Ų32.554%0.53617%0.171SC..THydrogen-bonded Turntrans59.4-115.5-170.900000110.5M415G325-M415 WeakPolarHBondContact O-CE 3.49Å
326N92.3Very high94.6Very high61 Ų6133 Ų3333%0.32618%0.176SC..THydrogen-bonded Turntrans-109.86.5177-74.738.9000112.5V324 L410 D412V324-N326 PolarHBondContact O-N 3.15Å; V324-N326 VanDerWaalsContact O-N 3.12Å; N326-L410 WeakPolarHBondContact CB-O 3.5Å; N326-L410 PolarHBondContact ND2-O 2.83Å; N326-L410 PolarHBondContact O-N 3.46Å; N326-D412 PolarHBondContact ND2-OD1 3.22Å
327I95.3Very high94.4Very high57 Ų5733.2 Ų33.229%0.29218%0.176SC..EExtended strand (participates in β ladder)trans-100.3132-176-60.2171.9000109H323 V324 L357 F361 V407 E408 V409H323-I327 WeakPolarHBondContact CA-O 3.17Å; V324-I327 PolarHBondContact N-O 3.02Å; V324-I327 PolarHBondContact O-N 3.43Å; I327-L357 HydrophobicContact CG2-CD2 4.03Å; I327-F361 HydrophobicContact CB-CE2 4.39Å; I327-F361 HydrophobicContact CB-CZ 3.8Å; I327-F361 HydrophobicContact CG2-CE1 4.37Å; I327-F361 HydrophobicContact CG2-CE2 4.35Å; I327-F361 HydrophobicContact CG2-CZ 3.68Å; I327-V407 HydrophobicContact CG2-CG1 3.75Å; I327-E408 WeakPolarHBondContact CA-O 3.21Å; I327-V409 HydrophobicContact CG1-CG2 4.46Å
328S94.9Very high94.2Very high2 Ų232.2 Ų32.21%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-113.1120.2177.5178.10000109.5I322 H323 V407 E408 K418I322-S328 WeakPolarHBondContact O-CA 3.31Å; H323-S328 PolarHBondContact CE1-OG 3.17Å; H323-S328 PolarHBondContact ND1-OG 3.04Å; S328-V407 WeakPolarHBondContact O-CA 3.46Å; S328-E408 PolarHBondContact N-O 2.79Å; S328-E408 PolarHBondContact O-N 2.88Å; S328-K418 PolarHBondContact OG-NZ 2.97Å
329L97.2Very high93.9Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-102.4121.2169.4171.563.8000108.8N321 I322 L355 L357 F361 V365 P405 V407N321-L329 WeakPolarHBondContact CA-O 3.34Å; I322-L329 HydrophobicContact CB-CB 4.43Å; I322-L329 PolarHBondContact N-O 3.11Å; I322-L329 PolarHBondContact O-N 2.93Å; L329-L355 HydrophobicContact CD1-CD1 3.71Å; L329-L357 HydrophobicContact CB-CD1 4.43Å; L329-L357 HydrophobicContact CD1-CD1 4.3Å; L329-L357 HydrophobicContact CD2-CD1 3.87Å; L329-L357 HydrophobicContact CG-CD1 4.43Å; L329-F361 HydrophobicContact CB-CD1 4.2Å; L329-F361 HydrophobicContact CB-CE1 4.02Å; L329-F361 HydrophobicContact CD2-CD1 4.29Å; L329-V365 HydrophobicContact CD2-CG2 3.87Å; L329-P405 HydrophobicContact CD1-CB 4.44Å; L329-V407 HydrophobicContact CD1-CG2 3.97Å
330V97Very high93.5Very high63 Ų6334.5 Ų34.538%0.38220%0.2SC..EExtended strand (participates in β ladder)trans-122.9127.2170.5179.80000108.2L320 V406L320-V330 WeakPolarHBondContact O-CA 3.37Å; V330-V406 PolarHBondContact N-O 3.5Å; V330-V406 PolarHBondContact O-N 3.48Å
331D97.7Very high93.2Very high14 Ų1440.7 Ų40.78%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-152162.2-179.9-166.715.5000110.4R319 L320 P405R319-D331 CarbonylContact C-O 3.47Å; L320-D331 HydrophobicContact CB-CB 4.13Å; L320-D331 HydrophobicContact CD1-CB 4.18Å; L320-D331 HydrophobicContact CG-CB 4.4Å; L320-D331 PolarHBondContact N-O 2.94Å; L320-D331 PolarHBondContact O-N 3.39Å; L320-D331 VanDerWaalsContact O-N 3.12Å; D331-P405 HydrophobicContact CB-CB 4.07Å
332Q96.7Very high93.2Very high18 Ų1841.2 Ų41.28%0.08424%0.236CC..EExtended strand (participates in β ladder)trans-149.8142.3170.256.3170.66.800110.6I317 I318 R319 Q402 W403I317-Q332 HydrophobicContact CG2-CB 4.44Å; I318-Q332 WeakPolarHBondContact O-CA 3.31Å; R319-Q332 HydrophobicContact CG-CB 4.23Å; R319-Q332 VanDerWaalsContact CZ-OE1 3.27Å; Q332-Q402 PolarHBondContact NE2-O 3.23Å; Q332-W403 HydrophobicContact CB-CE3 4.46Å; Q332-W403 HydrophobicContact CB-CZ3 4.47Å; Q332-W403 HydrophobicContact CG-CD2 4.26Å; Q332-W403 HydrophobicContact CG-CE3 3.87Å; Q332-W403 HydrophobicContact CG-CZ3 4.26Å; Q332-W403 VanDerWaalsContact O-CE3 3.27Å
333F96.3Very high93.2Very high24 Ų2442.6 Ų42.611%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-152.5160.4178.946.5-92.6000110.3I317 I318 L320 W335 F347 I369I317-F333 WeakPolarHBondContact CA-O 3.41Å; I318-F333 HydrophobicContact CB-CD2 4.02Å; I318-F333 HydrophobicContact CB-CE2 3.57Å; I318-F333 HydrophobicContact CB-CZ 3.95Å; I318-F333 HydrophobicContact CG1-CD2 4.48Å; I318-F333 HydrophobicContact CG1-CE2 4Å; I318-F333 HydrophobicContact CG2-CE1 4.48Å; I318-F333 HydrophobicContact CG2-CE2 3.8Å; I318-F333 HydrophobicContact CG2-CZ 3.69Å; I318-F333 PolarHBondContact N-O 3.12Å; I318-F333 PolarHBondContact O-N 2.76Å; L320-F333 HydrophobicContact CD1-CE1 3.7Å; L320-F333 HydrophobicContact CD1-CZ 4.25Å; L320-F333 HydrophobicContact CD2-CZ 4.46Å; L320-F333 HydrophobicContact CG-CE1 3.88Å; L320-F333 HydrophobicContact CG-CZ 4.31Å; F333-W335 HydrophobicContact CD2-CE3 4.16Å; F333-W335 AromaticContact CE2-CE3 3.66Å; F333-W335 HydrophobicContact CE2-CE3 3.66Å; F333-W335 HydrophobicContact CE2-CZ3 4.2Å; F333-F347 HydrophobicContact CD1-CE1 4.12Å; F333-F347 AromaticContact CD1-CZ 3.68Å; F333-F347 HydrophobicContact CD1-CZ 3.68Å; F333-F347 HydrophobicContact CD2-CZ 4.14Å; F333-F347 AromaticContact CE1-CE1 3.4Å; F333-F347 HydrophobicContact CE1-CE1 3.4Å; F333-F347 AromaticContact CE1-CZ 3.46Å; F333-F347 HydrophobicContact CE1-CZ 3.46Å; F333-F347 VanDerWaalsContact CE1-CZ 3.46Å; F333-F347 AromaticContact CE2-CE1 3.92Å; F333-F347 HydrophobicContact CE2-CE1 3.92Å; F333-F347 AromaticContact CE2-CZ 3.94Å; F333-F347 HydrophobicContact CE2-CZ 3.94Å; F333-F347 HydrophobicContact CG-CZ 4.02Å; F333-F347 HydrophobicContact CZ-CD1 4.1Å; F333-F347 AromaticContact CZ-CE1 3.28Å; F333-F347 HydrophobicContact CZ-CE1 3.28Å; F333-F347 AromaticContact CZ-CZ 3.6Å; F333-F347 HydrophobicContact CZ-CZ 3.6Å; F333-I369 HydrophobicContact CE2-CD1 4.49Å; F333-I369 HydrophobicContact CZ-CD1 3.95Å; F333-I369 HydrophobicContact CZ-CG1 4Å
334E94.5Very high93.5Very high54 Ų5442.5 Ų42.525%0.25225%0.246SC..EExtended strand (participates in β ladder)trans-85.7136.3172.7-68.1175.2-155.200109.3R315 V316 I317 L387 R395 W403R315-E334 IonicContact CZ-OE2 3.34Å; R315-E334 IonicContact NE-OE2 3.19Å; R315-E334 IonicContact NH1-OE2 3.56Å; R315-E334 PolarHBondContact NH1-OE2 3.48Å; V316-E334 CarbonylContact O-C 3.56Å; V316-E334 WeakPolarHBondContact O-CA 3.47Å; I317-E334 HydrophobicContact CG1-CG 4.29Å; E334-L387 HydrophobicContact CG-CD1 4.29Å; E334-R395 VanDerWaalsContact CD-NH2 3.28Å; E334-R395 IonicContact OE1-CZ 3.07Å; E334-R395 IonicContact OE1-NH1 2.67Å; E334-R395 PolarHBondContact OE1-NH1 3.49Å; E334-R395 IonicContact OE1-NH2 3.67Å; E334-R395 PolarHBondContact OE1-NH2 2.94Å; E334-W403 HydrophobicContact CG-CH2 3.97Å; E334-W403 HydrophobicContact CG-CZ3 4.08Å
335W94.4Very high93.8Very high18 Ų1843.3 Ų43.37%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-127.3123.5-179.7-171-76.3000109.3R315 V316 I318 F333 L337 N342 P344 F347 I369 L373R315-W335 CarbonylContact C-O 3.58Å; R315-W335 VanDerWaalsContact CA-O 3.31Å; R315-W335 WeakPolarHBondContact CA-O 3.5Å; V316-W335 HydrophobicContact CG2-CB 4.42Å; V316-W335 PolarHBondContact N-O 3.27Å; V316-W335 PolarHBondContact O-N 3.18Å; I318-W335 HydrophobicContact CD1-CB 4.42Å; I318-W335 HydrophobicContact CG1-CB 3.58Å; I318-W335 HydrophobicContact CG1-CG 4.24Å; F333-W335 HydrophobicContact CD2-CE3 4.16Å; F333-W335 AromaticContact CE2-CE3 3.66Å; F333-W335 HydrophobicContact CE2-CE3 3.66Å; F333-W335 HydrophobicContact CE2-CZ3 4.2Å; W335-L337 PolarHBondContact O-N 3.24Å; W335-N342 HydrophobicContact CH2-CB 4.31Å; W335-N342 HydrophobicContact CZ2-CB 3.6Å; W335-P344 HydrophobicContact CH2-CG 4.19Å; W335-P344 HydrophobicContact CZ2-CG 3.96Å; W335-F347 HydrophobicContact CH2-CB 4.13Å; W335-F347 HydrophobicContact CZ3-CB 3.95Å; W335-F347 HydrophobicContact CZ3-CD1 4.31Å; W335-F347 HydrophobicContact CZ3-CD2 4.22Å; W335-F347 AromaticContact CZ3-CG 3.89Å; W335-F347 HydrophobicContact CZ3-CG 3.89Å; W335-I369 HydrophobicContact CD2-CG2 4.41Å; W335-I369 HydrophobicContact CE3-CG2 4.33Å; W335-I369 HydrophobicContact CH2-CG2 4.15Å; W335-I369 HydrophobicContact CZ2-CG2 4.25Å; W335-I369 HydrophobicContact CZ3-CD1 4.36Å; W335-I369 HydrophobicContact CZ3-CG2 4.19Å; W335-L373 HydrophobicContact CB-CD2 4.41Å; W335-L373 HydrophobicContact CD2-CD2 4.38Å; W335-L373 HydrophobicContact CG-CD2 3.79Å; W335-L373 HydrophobicContact CZ2-CD1 4.22Å
336D92.1Very high94.2Very high37 Ų3747.5 Ų47.520%0.19825%0.253CS..EExtended strand (participates in β ladder)trans-81.3117.3173.6-169.8-7.2000109.9T314 R315 S338 E339 N342T314-D336 PolarHBondContact N-OD1 3.42Å; T314-D336 PolarHBondContact OG1-OD1 3.01Å; R315-D336 HydrophobicContact CG-CB 4.01Å; D336-S338 VanDerWaalsContact C-N 3.28Å; D336-S338 PolarHBondContact OD1-N 2.67Å; D336-S338 PolarHBondContact OD1-OG 2.95Å; D336-S338 PolarHBondContact OD2-OG 3.4Å; D336-E339 HydrophobicContact CB-CB 4.16Å; D336-N342 PolarHBondContact O-ND2 3.27Å; D336-N342 VanDerWaalsContact O-ND2 3.14Å
337L89.1Confident94.5Very high16 Ų1647.7 Ų47.78%0.08425%0.251CS..THydrogen-bonded Turntrans-72.8-21.7176.9-70.7164.3000112.9L308 T314 V316 W335 L373 H376 Q377 Y380L308-L337 HydrophobicContact CD1-CB 3.39Å; L308-L337 HydrophobicContact CD1-CD1 3.94Å; L308-L337 HydrophobicContact CD1-CG 4.2Å; T314-L337 WeakPolarHBondContact O-CB 3.49Å; T314-L337 PolarHBondContact O-N 3.5Å; V316-L337 HydrophobicContact CB-CD1 4.49Å; V316-L337 HydrophobicContact CG1-CD1 3.58Å; V316-L337 HydrophobicContact CG1-CG 4.34Å; V316-L337 HydrophobicContact CG2-CD1 4.08Å; V316-L337 HydrophobicContact CG2-CD2 4.44Å; V316-L337 HydrophobicContact CG2-CG 4.01Å; W335-L337 PolarHBondContact O-N 3.24Å; L337-L373 HydrophobicContact CD2-CB 4.09Å; L337-L373 HydrophobicContact CD2-CD2 3.44Å; L337-L373 VanDerWaalsContact CD2-CD2 3.44Å; L337-L373 HydrophobicContact CD2-CG 4.28Å; L337-L373 HydrophobicContact CG-CD2 4.4Å; L337-H376 HydrophobicContact CD1-CB 4.11Å; L337-Q377 HydrophobicContact CD2-CG 4.07Å; L337-Y380 HydrophobicContact CD1-CD2 4.41Å
338S88.4Confident94.6Very high24 Ų2445 Ų4517%0.16824%0.237CC..THydrogen-bonded Turntrans-89.5-6.7-176.6490000113.9Q311 T312 D313 T314 D336 P340Q311-S338 VanDerWaalsContact O-CB 3.31Å; Q311-S338 WeakPolarHBondContact O-CB 3.28Å; T312-S338 WeakPolarHBondContact CA-OG 3.47Å; D313-S338 PolarHBondContact N-OG 3.04Å; T314-S338 PolarHBondContact N-OG 2.67Å; T314-S338 WeakPolarHBondContact OG1-CB 3.12Å; T314-S338 PolarHBondContact OG1-N 2.94Å; T314-S338 PolarHBondContact OG1-OG 3.5Å; D336-S338 VanDerWaalsContact C-N 3.28Å; D336-S338 PolarHBondContact OD1-N 2.67Å; D336-S338 PolarHBondContact OD1-OG 2.95Å; D336-S338 PolarHBondContact OD2-OG 3.4Å; S338-P340 WeakPolarHBondContact O-CD 3.34Å
339E90.8Very high94.8Very high73 Ų7347.7 Ų47.734%0.34126%0.256SS..  trans-91.4104.8-179.9176.555.2-109.500110.9D336 N341 N342D336-E339 HydrophobicContact CB-CB 4.16Å; E339-N341 HydrophobicContact CG-CB 4.46Å; E339-N341 PolarHBondContact O-N 2.9Å; E339-N341 VanDerWaalsContact OE1-CB 3.31Å; E339-N341 WeakPolarHBondContact OE1-CB 3.2Å; E339-N341 PolarHBondContact OE1-N 3.48Å; E339-N341 VanDerWaalsContact OE1-N 3.12Å; E339-N341 PolarHBondContact OE1-ND2 2.66Å; E339-N342 HydrophobicContact CG-CB 4.47Å; E339-N342 WeakPolarHBondContact O-CB 3.39Å; E339-N342 PolarHBondContact O-N 3.23Å
340P87.1Confident94.8Very high117 Ų11755.5 Ų55.576%0.7629%0.286SS*.THydrogen-bonded Turntrans-69.4-17.1-175.629.3-37.2000113.8S338 N342S338-P340 WeakPolarHBondContact O-CD 3.34Å; P340-N342 VanDerWaalsContact C-N 3.25Å; P340-N342 PolarHBondContact O-N 3.38Å
341N91Very high94.9Very high131 Ų13153.3 Ų53.370%0.70127%0.272SS*.THydrogen-bonded Turntrans-77.5-12176.3-62.1-57.6000112.9E339 S343E339-N341 HydrophobicContact CG-CB 4.46Å; E339-N341 PolarHBondContact O-N 2.9Å; E339-N341 VanDerWaalsContact OE1-CB 3.31Å; E339-N341 WeakPolarHBondContact OE1-CB 3.2Å; E339-N341 PolarHBondContact OE1-N 3.48Å; E339-N341 VanDerWaalsContact OE1-N 3.12Å; E339-N341 PolarHBondContact OE1-ND2 2.66Å; N341-S343 PolarHBondContact O-N 3.26Å
342N93.9Very high94.9Very high68 Ų6852.7 Ų52.736%0.36427%0.269SS..  trans-72.1115.8179.3-75.1-13.7000110.8W335 D336 E339 P340W335-N342 HydrophobicContact CH2-CB 4.31Å; W335-N342 HydrophobicContact CZ2-CB 3.6Å; D336-N342 PolarHBondContact O-ND2 3.27Å; D336-N342 VanDerWaalsContact O-ND2 3.14Å; E339-N342 HydrophobicContact CG-CB 4.47Å; E339-N342 WeakPolarHBondContact O-CB 3.39Å; E339-N342 PolarHBondContact O-N 3.23Å; P340-N342 VanDerWaalsContact C-N 3.25Å; P340-N342 PolarHBondContact O-N 3.38Å
343S95.9Very high95Very high29 Ų2955.2 Ų55.220%0.20329%0.293CS..  trans-112117.9176.1167.90000111.4N341 E345 Q346 F347N341-S343 PolarHBondContact O-N 3.26Å; S343-E345 VanDerWaalsContact C-N 3.25Å; S343-E345 PolarHBondContact O-N 2.97Å; S343-E345 PolarHBondContact OG-N 3.41Å; S343-E345 PolarHBondContact OG-OE2 2.82Å; S343-Q346 PolarHBondContact O-N 2.93Å; S343-Q346 PolarHBondContact OG-N 2.78Å; S343-F347 WeakPolarHBondContact O-CB 3.36Å; S343-F347 PolarHBondContact O-N 2.82Å
344P97.7Very high95Very high6 Ų660.2 Ų60.24%0.03932%0.316CS..Hα-helixtrans-54.3-38.6173-3038.2000113.6W335 A348 I369 R370 L373W335-P344 HydrophobicContact CH2-CG 4.19Å; W335-P344 HydrophobicContact CZ2-CG 3.96Å; P344-A348 WeakPolarHBondContact O-CB 3.44Å; P344-A348 PolarHBondContact O-N 3.04Å; P344-I369 HydrophobicContact CB-CB 4.04Å; P344-I369 HydrophobicContact CB-CD1 4.47Å; P344-I369 HydrophobicContact CB-CG2 3.79Å; P344-I369 HydrophobicContact CG-CG2 3.81Å; P344-R370 HydrophobicContact CB-CG 4.02Å; P344-R370 HydrophobicContact CG-CG 3.88Å; P344-L373 HydrophobicContact CG-CD1 4.05Å
345E97.5Very high95.2Very high46 Ų4660.2 Ų60.222%0.21532%0.318CS..Hα-helixtrans-69-43.6-179.4-68.366.8-145.200112.2L240 S343 A348 S349 A366 R370L240-E345 HydrophobicContact CD1-CG 4.28Å; L240-E345 VanDerWaalsContact CD1-OE1 3.31Å; L240-E345 WeakPolarHBondContact CD1-OE1 3.14Å; S343-E345 VanDerWaalsContact C-N 3.25Å; S343-E345 PolarHBondContact O-N 2.97Å; S343-E345 PolarHBondContact OG-N 3.41Å; S343-E345 PolarHBondContact OG-OE2 2.82Å; E345-A348 PolarHBondContact O-N 2.81Å; E345-S349 WeakPolarHBondContact O-CB 3.48Å; E345-S349 PolarHBondContact O-N 3.48Å; E345-S349 PolarHBondContact O-OG 2.88Å; E345-A366 HydrophobicContact CG-CB 4.33Å; E345-R370 VanDerWaalsContact CD-NH2 3.31Å; E345-R370 IonicContact OE1-CZ 3.64Å; E345-R370 IonicContact OE1-NE 3.51Å; E345-R370 PolarHBondContact OE1-NE 3.04Å; E345-R370 IonicContact OE1-NH2 3.43Å; E345-R370 PolarHBondContact OE1-NH2 3.23Å; E345-R370 IonicContact OE2-CZ 3.39Å; E345-R370 IonicContact OE2-NE 2.86Å; E345-R370 IonicContact OE2-NH2 3.63Å; E345-R370 PolarHBondContact OE2-NH2 3.08Å
346Q97.9Very high95.3Very high139 Ų13962.7 Ų62.765%0.6535%0.349SS*.Hα-helixtrans-66.2-44177.4-68.6179.3-8.700110.9S343 S349 R350S343-Q346 PolarHBondContact O-N 2.93Å; S343-Q346 PolarHBondContact OG-N 2.78Å; Q346-S349 PolarHBondContact O-N 3.09Å; Q346-R350 WeakPolarHBondContact O-CB 2.98Å; Q346-R350 PolarHBondContact O-N 2.91Å
347F98.4Very high95.5Very high65 Ų6562 Ų6229%0.28535%0.345SS..Hα-helixtrans-60.1-49.9174.9178.2-89.2000111.3F333 W335 S343 S349 R350 L351 I369F333-F347 HydrophobicContact CD1-CE1 4.12Å; F333-F347 AromaticContact CD1-CZ 3.68Å; F333-F347 HydrophobicContact CD1-CZ 3.68Å; F333-F347 HydrophobicContact CD2-CZ 4.14Å; F333-F347 AromaticContact CE1-CE1 3.4Å; F333-F347 HydrophobicContact CE1-CE1 3.4Å; F333-F347 AromaticContact CE1-CZ 3.46Å; F333-F347 HydrophobicContact CE1-CZ 3.46Å; F333-F347 VanDerWaalsContact CE1-CZ 3.46Å; F333-F347 AromaticContact CE2-CE1 3.92Å; F333-F347 HydrophobicContact CE2-CE1 3.92Å; F333-F347 AromaticContact CE2-CZ 3.94Å; F333-F347 HydrophobicContact CE2-CZ 3.94Å; F333-F347 HydrophobicContact CG-CZ 4.02Å; F333-F347 HydrophobicContact CZ-CD1 4.1Å; F333-F347 AromaticContact CZ-CE1 3.28Å; F333-F347 HydrophobicContact CZ-CE1 3.28Å; F333-F347 AromaticContact CZ-CZ 3.6Å; F333-F347 HydrophobicContact CZ-CZ 3.6Å; W335-F347 HydrophobicContact CH2-CB 4.13Å; W335-F347 HydrophobicContact CZ3-CB 3.95Å; W335-F347 HydrophobicContact CZ3-CD1 4.31Å; W335-F347 HydrophobicContact CZ3-CD2 4.22Å; W335-F347 AromaticContact CZ3-CG 3.89Å; W335-F347 HydrophobicContact CZ3-CG 3.89Å; S343-F347 WeakPolarHBondContact O-CB 3.36Å; S343-F347 PolarHBondContact O-N 2.82Å; F347-S349 VanDerWaalsContact C-N 3.33Å; F347-S349 PolarHBondContact O-N 3.21Å; F347-R350 PolarHBondContact O-N 2.86Å; F347-L351 HydrophobicContact CE1-CB 4.27Å; F347-L351 HydrophobicContact CE1-CD2 3.8Å; F347-L351 HydrophobicContact CZ-CD2 4.29Å; F347-L351 WeakPolarHBondContact O-CB 3.39Å; F347-L351 PolarHBondContact O-N 3.13Å; F347-I369 HydrophobicContact CD1-CD1 3.49Å; F347-I369 VanDerWaalsContact CD1-CD1 3.49Å; F347-I369 HydrophobicContact CE1-CD1 4Å; F347-I369 HydrophobicContact CG-CD1 4.42Å
348A98.3Very high95.7Very high0 Ų062.6 Ų62.60%036%0.355CS..Hα-helixtrans-57.7-45.2179.100000112.3P344 E345 R350 C352 V362 V365 A366P344-A348 WeakPolarHBondContact O-CB 3.44Å; P344-A348 PolarHBondContact O-N 3.04Å; E345-A348 PolarHBondContact O-N 2.81Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 3.24Å; A348-C352 WeakPolarHBondContact O-CB 3.29Å; A348-C352 PolarHBondContact O-N 3.12Å; A348-C352 PolarHBondContact O-SG 2.9Å; A348-V362 HydrophobicContact CB-CG1 4.06Å; A348-V362 WeakPolarHBondContact CB-O 3.49Å; A348-V365 HydrophobicContact CB-CB 3.77Å; A348-V365 HydrophobicContact CB-CG1 3.61Å; A348-A366 HydrophobicContact CB-CB 3.99Å
349S98.3Very high95.9Very high59 Ų5964 Ų6441%0.41337%0.373SS..Hα-helixtrans-61.2-42.7178.3-60.10000111.3E345 Q346 F347 A353E345-S349 WeakPolarHBondContact O-CB 3.48Å; E345-S349 PolarHBondContact O-N 3.48Å; E345-S349 PolarHBondContact O-OG 2.88Å; Q346-S349 PolarHBondContact O-N 3.09Å; F347-S349 VanDerWaalsContact C-N 3.33Å; F347-S349 PolarHBondContact O-N 3.21Å; S349-A353 VanDerWaalsContact O-CB 3.28Å; S349-A353 WeakPolarHBondContact O-CB 3.45Å; S349-A353 PolarHBondContact O-N 3.11Å; S349-A353 VanDerWaalsContact O-N 3.08Å
350R98.3Very high96Very high164 Ų16465.4 Ų65.462%0.61938%0.38SS*.Hα-helixtrans-71.6-47.6-179-167.168-170-178.7-0.7112.3Q346 F347 A348 C352 A353 E354Q346-R350 WeakPolarHBondContact O-CB 2.98Å; Q346-R350 PolarHBondContact O-N 2.91Å; F347-R350 PolarHBondContact O-N 2.86Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 3.24Å; R350-C352 VanDerWaalsContact C-N 3.34Å; R350-C352 PolarHBondContact O-N 3.48Å; R350-A353 PolarHBondContact O-N 2.9Å; R350-E354 IonicContact CZ-OE1 3.06Å; R350-E354 IonicContact NE-OE1 3.16Å; R350-E354 PolarHBondContact NE-OE1 2.82Å; R350-E354 IonicContact NH2-OE1 3.27Å; R350-E354 WeakPolarHBondContact O-CG 3.43Å; R350-E354 PolarHBondContact O-N 3.04Å
351L98.4Very high96.5Very high17 Ų1759.9 Ų59.99%0.08934%0.344CS..Hα-helixtrans-55.4-49176.7178.866.6000111.1L320 F347 A353 E354 L355 V365L320-L351 HydrophobicContact CD1-CD2 3.78Å; F347-L351 HydrophobicContact CE1-CB 4.27Å; F347-L351 HydrophobicContact CE1-CD2 3.8Å; F347-L351 HydrophobicContact CZ-CD2 4.29Å; F347-L351 WeakPolarHBondContact O-CB 3.39Å; F347-L351 PolarHBondContact O-N 3.13Å; L351-A353 PolarHBondContact O-N 3.34Å; L351-E354 PolarHBondContact O-N 3.48Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CG 4.31Å; L351-L355 HydrophobicContact CG-CD1 4.02Å; L351-L355 WeakPolarHBondContact O-CB 3.37Å; L351-L355 WeakPolarHBondContact O-CG 3.45Å; L351-L355 PolarHBondContact O-N 3.05Å; L351-V365 HydrophobicContact CD2-CG1 4.3Å
352C97.9Very high96.8Very high1 Ų155.3 Ų55.31%0.00732%0.32CS..Hα-helixtrans-67-37.6-179.7-63.60000112.2A348 R350 L355 G356 L357 V362A348-C352 WeakPolarHBondContact O-CB 3.29Å; A348-C352 PolarHBondContact O-N 3.12Å; A348-C352 PolarHBondContact O-SG 2.9Å; R350-C352 VanDerWaalsContact C-N 3.34Å; R350-C352 PolarHBondContact O-N 3.48Å; C352-L355 PolarHBondContact O-N 2.98Å; C352-G356 PolarHBondContact O-N 3.19Å; C352-L357 HydrophobicContact CB-CB 4.06Å; C352-L357 PolarHBondContact O-N 3.24Å; C352-V362 HydrophobicContact CB-CG2 3.66Å
353A98Very high96.9Very high71 Ų7155.3 Ų55.359%0.58732%0.323SS*.Hα-helixtrans-64.2-39175.800000112.5S349 R350 L351 G356S349-A353 VanDerWaalsContact O-CB 3.28Å; S349-A353 WeakPolarHBondContact O-CB 3.45Å; S349-A353 PolarHBondContact O-N 3.11Å; S349-A353 VanDerWaalsContact O-N 3.08Å; R350-A353 PolarHBondContact O-N 2.9Å; L351-A353 PolarHBondContact O-N 3.34Å; A353-G356 PolarHBondContact O-N 2.73Å
354E97.9Very high96.9Very high129 Ų12954.2 Ų54.260%0.60332%0.316SS*.Hα-helixtrans-71.8-33.6178.9-72.6175.3-179.500112.5R350 L351R350-E354 IonicContact CZ-OE1 3.06Å; R350-E354 IonicContact NE-OE1 3.16Å; R350-E354 PolarHBondContact NE-OE1 2.82Å; R350-E354 IonicContact NH2-OE1 3.27Å; R350-E354 WeakPolarHBondContact O-CG 3.43Å; R350-E354 PolarHBondContact O-N 3.04Å; L351-E354 PolarHBondContact O-N 3.48Å
355L97.6Very high96.9Very high55 Ų5554 Ų5429%0.28831%0.314SS..Hα-helixtrans-87-4.3176.9-62.9177.9000113.9L329 L351 C352 L357 P405 V407L329-L355 HydrophobicContact CD1-CD1 3.71Å; L351-L355 HydrophobicContact CD1-CD1 3.78Å; L351-L355 HydrophobicContact CD1-CG 4.31Å; L351-L355 HydrophobicContact CG-CD1 4.02Å; L351-L355 WeakPolarHBondContact O-CB 3.37Å; L351-L355 WeakPolarHBondContact O-CG 3.45Å; L351-L355 PolarHBondContact O-N 3.05Å; C352-L355 PolarHBondContact O-N 2.98Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 HydrophobicContact CB-CD1 3.99Å; L355-L357 HydrophobicContact CB-CG 3.89Å; L355-L357 HydrophobicContact CD1-CD1 4.09Å; L355-P405 HydrophobicContact CD1-CB 3.91Å; L355-P405 HydrophobicContact CD1-CG 4.3Å; L355-P405 HydrophobicContact CD2-CB 4.27Å; L355-P405 HydrophobicContact CD2-CG 3.92Å; L355-V407 HydrophobicContact CB-CG2 4.26Å; L355-V407 HydrophobicContact CD1-CG2 3.94Å; L355-V407 HydrophobicContact CD2-CG2 4.35Å; L355-V407 HydrophobicContact CG-CG2 4.42Å
356G96.9Very high96.9Very high70 Ų7052 Ų5272%0.72231%0.306SS*.THydrogen-bonded Turntrans66.931.6-177.200000114C352 A353C352-G356 PolarHBondContact O-N 3.19Å; A353-G356 PolarHBondContact O-N 2.73Å
357L96.4Very high96.8Very high22 Ų2245.4 Ų45.412%0.11528%0.275CS..  trans-90.2150.6179.9-62.3175.3000111.8I327 L329 C352 L355 F361 V407I327-L357 HydrophobicContact CG2-CD2 4.03Å; L329-L357 HydrophobicContact CB-CD1 4.43Å; L329-L357 HydrophobicContact CD1-CD1 4.3Å; L329-L357 HydrophobicContact CD2-CD1 3.87Å; L329-L357 HydrophobicContact CG-CD1 4.43Å; C352-L357 HydrophobicContact CB-CB 4.06Å; C352-L357 PolarHBondContact O-N 3.24Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 HydrophobicContact CB-CD1 3.99Å; L355-L357 HydrophobicContact CB-CG 3.89Å; L355-L357 HydrophobicContact CD1-CD1 4.09Å; L357-F361 HydrophobicContact CB-CB 4Å; L357-F361 HydrophobicContact CB-CD2 3.88Å; L357-F361 HydrophobicContact CB-CG 3.95Å; L357-F361 HydrophobicContact CD1-CB 4.29Å; L357-F361 HydrophobicContact CD1-CD1 3.99Å; L357-F361 HydrophobicContact CD1-CE1 4.48Å; L357-F361 HydrophobicContact CD1-CG 4.03Å; L357-F361 HydrophobicContact CD2-CD2 4.29Å; L357-F361 HydrophobicContact CD2-CE2 4.19Å; L357-F361 HydrophobicContact CD2-CZ 4.35Å; L357-F361 HydrophobicContact CG-CD2 4.47Å; L357-F361 HydrophobicContact CG-CG 4.4Å; L357-V407 HydrophobicContact CD1-CG2 4.36Å; L357-V407 HydrophobicContact CD2-CG1 3.98Å; L357-V407 HydrophobicContact CD2-CG2 4.4Å
358G93.1Very high96.8Very high29 Ų2942.4 Ų42.430%0.29926%0.262SS..  trans-69.4164.4178.700000113.8E360 F361G358-E360 VanDerWaalsContact CA-OE2 3.31Å; G358-E360 WeakPolarHBondContact CA-OE2 3.46Å; G358-E360 PolarHBondContact O-N 3.48Å; G358-E360 VanDerWaalsContact O-N 3.13Å; G358-F361 WeakPolarHBondContact O-CB 3.47Å; G358-F361 PolarHBondContact O-N 3.49Å
359G93.5Very high96.7Very high52 Ų5242.4 Ų42.454%0.53626%0.262SS..Hα-helixtrans-60.3-23.1-17800000114F361 V362 T363G359-F361 VanDerWaalsContact C-N 3.26Å; G359-F361 PolarHBondContact O-N 3.27Å; G359-V362 WeakPolarHBondContact O-CB 3.25Å; G359-V362 PolarHBondContact O-N 2.85Å; G359-V362 VanDerWaalsContact O-N 3.11Å; G359-T363 PolarHBondContact O-N 3.42Å
360E92.7Very high96.6Very high104 Ų10442.3 Ų42.349%0.48625%0.253SS..Hα-helixtrans-63-30173.465.8-74.5-179.700113.4V324 G358 A364V324-E360 HydrophobicContact CB-CG 4.09Å; V324-E360 HydrophobicContact CG1-CB 4.2Å; V324-E360 HydrophobicContact CG1-CG 3.38Å; V324-E360 HydrophobicContact CG2-CG 4.22Å; G358-E360 VanDerWaalsContact CA-OE2 3.31Å; G358-E360 WeakPolarHBondContact CA-OE2 3.46Å; G358-E360 PolarHBondContact O-N 3.48Å; G358-E360 VanDerWaalsContact O-N 3.13Å; E360-A364 PolarHBondContact O-N 3.47Å
361F96.2Very high96.3Very high1 Ų134.5 Ų34.50%0.00422%0.223CC..Hα-helixtrans-72.2-34.4172.3-76.4-91000111.9I322 V324 I327 L329 L357 G358 G359 T363 A364 V365I322-F361 HydrophobicContact CG2-CD1 3.92Å; I322-F361 HydrophobicContact CG2-CE1 4.1Å; V324-F361 HydrophobicContact CB-CD2 4.31Å; V324-F361 HydrophobicContact CB-CE1 4.18Å; V324-F361 HydrophobicContact CB-CE2 3.66Å; V324-F361 HydrophobicContact CB-CZ 3.57Å; V324-F361 HydrophobicContact CG2-CD1 4.08Å; V324-F361 HydrophobicContact CG2-CD2 4.16Å; V324-F361 HydrophobicContact CG2-CE1 3.83Å; V324-F361 HydrophobicContact CG2-CE2 3.92Å; V324-F361 HydrophobicContact CG2-CG 4.23Å; V324-F361 HydrophobicContact CG2-CZ 3.74Å; I327-F361 HydrophobicContact CB-CE2 4.39Å; I327-F361 HydrophobicContact CB-CZ 3.8Å; I327-F361 HydrophobicContact CG2-CE1 4.37Å; I327-F361 HydrophobicContact CG2-CE2 4.35Å; I327-F361 HydrophobicContact CG2-CZ 3.68Å; L329-F361 HydrophobicContact CB-CD1 4.2Å; L329-F361 HydrophobicContact CB-CE1 4.02Å; L329-F361 HydrophobicContact CD2-CD1 4.29Å; L357-F361 HydrophobicContact CB-CB 4Å; L357-F361 HydrophobicContact CB-CD2 3.88Å; L357-F361 HydrophobicContact CB-CG 3.95Å; L357-F361 HydrophobicContact CD1-CB 4.29Å; L357-F361 HydrophobicContact CD1-CD1 3.99Å; L357-F361 HydrophobicContact CD1-CE1 4.48Å; L357-F361 HydrophobicContact CD1-CG 4.03Å; L357-F361 HydrophobicContact CD2-CD2 4.29Å; L357-F361 HydrophobicContact CD2-CE2 4.19Å; L357-F361 HydrophobicContact CD2-CZ 4.35Å; L357-F361 HydrophobicContact CG-CD2 4.47Å; L357-F361 HydrophobicContact CG-CG 4.4Å; G358-F361 WeakPolarHBondContact O-CB 3.47Å; G358-F361 PolarHBondContact O-N 3.49Å; G359-F361 VanDerWaalsContact C-N 3.26Å; G359-F361 PolarHBondContact O-N 3.27Å; F361-T363 PolarHBondContact O-N 3.45Å; F361-A364 PolarHBondContact O-N 2.94Å; F361-V365 WeakPolarHBondContact O-CB 3.44Å; F361-V365 WeakPolarHBondContact O-CG2 3.32Å; F361-V365 PolarHBondContact O-N 3.14Å
362V97.4Very high96.1Very high34 Ų3434 Ų3421%0.20622%0.22CC..Hα-helixtrans-58.7-49.7-179.4179.90000110.3A348 C352 G359 A364 V365 A366A348-V362 HydrophobicContact CB-CG1 4.06Å; A348-V362 WeakPolarHBondContact CB-O 3.49Å; C352-V362 HydrophobicContact CB-CG2 3.66Å; G359-V362 WeakPolarHBondContact O-CB 3.25Å; G359-V362 PolarHBondContact O-N 2.85Å; G359-V362 VanDerWaalsContact O-N 3.11Å; V362-A364 PolarHBondContact O-N 2.78Å; V362-V365 PolarHBondContact O-N 3.08Å; V362-A366 WeakPolarHBondContact O-CB 3.37Å; V362-A366 PolarHBondContact O-N 3.25Å
363T95.8Very high95.8Very high68 Ų6834.9 Ų34.942%0.41723%0.225SC..Hα-helixtrans-60.7-45.3177.6-54.80000111.6G359 F361 Y367G359-T363 PolarHBondContact O-N 3.42Å; F361-T363 PolarHBondContact O-N 3.45Å; T363-Y367 VanDerWaalsContact O-CB 3.26Å; T363-Y367 WeakPolarHBondContact O-CB 3.42Å; T363-Y367 PolarHBondContact O-N 3.14Å
364A96.2Very high95.4Very high7 Ų731.9 Ų31.96%0.05820%0.2CC..Hα-helixtrans-65.8-39.6-179.100000113V197 I322 E360 F361 V362 S368V197-A364 HydrophobicContact CG1-CB 4.3Å; I322-A364 HydrophobicContact CD1-CB 4.26Å; I322-A364 HydrophobicContact CG2-CB 3.68Å; E360-A364 PolarHBondContact O-N 3.47Å; F361-A364 PolarHBondContact O-N 2.94Å; V362-A364 PolarHBondContact O-N 2.78Å; A364-S368 WeakPolarHBondContact O-CB 3.39Å; A364-S368 PolarHBondContact O-N 3.06Å
365V97.9Very high94.9Very high0 Ų028.6 Ų28.60%018%0.182CC..Hα-helixtrans-66.4-50.4176.8173.20000110.2L320 I322 L329 A348 L351 F361 V362 Y367 S368 I369L320-V365 HydrophobicContact CD1-CG1 3.82Å; L320-V365 HydrophobicContact CD1-CG2 4.18Å; L320-V365 HydrophobicContact CD2-CG1 4.42Å; I322-V365 HydrophobicContact CD1-CB 4.1Å; I322-V365 HydrophobicContact CD1-CG2 3.42Å; I322-V365 VanDerWaalsContact CD1-CG2 3.42Å; L329-V365 HydrophobicContact CD2-CG2 3.87Å; A348-V365 HydrophobicContact CB-CB 3.77Å; A348-V365 HydrophobicContact CB-CG1 3.61Å; L351-V365 HydrophobicContact CD2-CG1 4.3Å; F361-V365 WeakPolarHBondContact O-CB 3.44Å; F361-V365 WeakPolarHBondContact O-CG2 3.32Å; F361-V365 PolarHBondContact O-N 3.14Å; V362-V365 PolarHBondContact O-N 3.08Å; V365-Y367 VanDerWaalsContact C-N 3.32Å; V365-Y367 PolarHBondContact O-N 3.42Å; V365-S368 PolarHBondContact O-N 3.19Å; V365-S368 VanDerWaalsContact O-N 3.11Å; V365-I369 HydrophobicContact CG1-CD1 3.68Å; V365-I369 HydrophobicContact CG1-CG1 4.33Å; V365-I369 VanDerWaalsContact O-CG1 3.31Å; V365-I369 WeakPolarHBondContact O-CG1 3.36Å; V365-I369 PolarHBondContact O-N 3.44Å
366A97.9Very high94.5Very high5 Ų527.4 Ų27.44%0.04118%0.175CC..Hα-helixtrans-58.8-44.817900000111.6E345 A348 V362 S368 R370E345-A366 HydrophobicContact CG-CB 4.33Å; A348-A366 HydrophobicContact CB-CB 3.99Å; V362-A366 WeakPolarHBondContact O-CB 3.37Å; V362-A366 PolarHBondContact O-N 3.25Å; A366-S368 PolarHBondContact O-N 3.48Å; A366-R370 WeakPolarHBondContact O-CB 3.32Å; A366-R370 WeakPolarHBondContact O-CG 3.45Å; A366-R370 PolarHBondContact O-N 3.23Å
367Y96.6Very high93.9Very high1 Ų126.6 Ų26.60%0.00415%0.153CC..Hα-helixtrans-57.4-48172.8158.7-93.1000112.1H193 V197 P242 I243 R244 C257 T363 V365 R370 G371H193-Y367 AromaticContact CE1-CE2 3.55Å; H193-Y367 AromaticContact CE1-CZ 3.83Å; H193-Y367 PolarHBondContact CE1-OH 2.98Å; H193-Y367 AromaticContact ND1-CE2 3.49Å; H193-Y367 WeakPolarHBondContact ND1-CE2 3.3Å; H193-Y367 AromaticContact ND1-CZ 3.33Å; H193-Y367 VanDerWaalsContact ND1-CZ 3.33Å; H193-Y367 PolarHBondContact ND1-OH 3.15Å; V197-Y367 HydrophobicContact CG1-CD1 4.46Å; V197-Y367 HydrophobicContact CG1-CE1 4.43Å; V197-Y367 HydrophobicContact CG2-CD1 4.17Å; V197-Y367 HydrophobicContact CG2-CE1 4.09Å; P242-Y367 HydrophobicContact CB-CD2 3.72Å; P242-Y367 HydrophobicContact CB-CE2 3.95Å; I243-Y367 VanDerWaalsContact O-CE2 3.28Å; I243-Y367 WeakPolarHBondContact O-CE2 3.3Å; R244-Y367 HydrophobicContact CB-CE2 4.23Å; R244-Y367 VanDerWaalsContact CB-OH 3.29Å; R244-Y367 WeakPolarHBondContact CB-OH 3.47Å; R244-Y367 WeakPolarHBondContact CD-OH 3.09Å; R244-Y367 WeakPolarHBondContact CG-OH 3.35Å; C257-Y367 HydrophobicContact CB-CD1 3.73Å; C257-Y367 HydrophobicContact CB-CD2 3.94Å; C257-Y367 HydrophobicContact CB-CE1 3.7Å; C257-Y367 HydrophobicContact CB-CE2 3.88Å; C257-Y367 HydrophobicContact CB-CG 3.88Å; T363-Y367 VanDerWaalsContact O-CB 3.26Å; T363-Y367 WeakPolarHBondContact O-CB 3.42Å; T363-Y367 PolarHBondContact O-N 3.14Å; V365-Y367 VanDerWaalsContact C-N 3.32Å; V365-Y367 PolarHBondContact O-N 3.42Å; Y367-R370 PolarHBondContact O-N 3.18Å; Y367-G371 PolarHBondContact O-N 2.76Å
368S97Very high93.3Very high2 Ų230.9 Ų30.91%0.01417%0.17CC..Hα-helixtrans-63.8-45.4-177.1-174.60000111.5A364 V365 A366 G371 Q372A364-S368 WeakPolarHBondContact O-CB 3.39Å; A364-S368 PolarHBondContact O-N 3.06Å; V365-S368 PolarHBondContact O-N 3.19Å; V365-S368 VanDerWaalsContact O-N 3.11Å; A366-S368 PolarHBondContact O-N 3.48Å; S368-G371 PolarHBondContact O-N 3.04Å; S368-Q372 VanDerWaalsContact O-CG 3.3Å; S368-Q372 WeakPolarHBondContact O-CG 3.38Å; S368-Q372 PolarHBondContact O-N 2.87Å; S368-Q372 PolarHBondContact OG-NE2 3.13Å; S368-Q372 VanDerWaalsContact OG-NE2 3.14Å
369I97Very high92.7Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-58.7-55.6176-63.6166.8000109.3I318 L320 F333 W335 P344 F347 V365 G371 Q372 L373I318-I369 HydrophobicContact CG2-CG1 4.06Å; L320-I369 HydrophobicContact CD2-CG1 4.17Å; F333-I369 HydrophobicContact CE2-CD1 4.49Å; F333-I369 HydrophobicContact CZ-CD1 3.95Å; F333-I369 HydrophobicContact CZ-CG1 4Å; W335-I369 HydrophobicContact CD2-CG2 4.41Å; W335-I369 HydrophobicContact CE3-CG2 4.33Å; W335-I369 HydrophobicContact CH2-CG2 4.15Å; W335-I369 HydrophobicContact CZ2-CG2 4.25Å; W335-I369 HydrophobicContact CZ3-CD1 4.36Å; W335-I369 HydrophobicContact CZ3-CG2 4.19Å; P344-I369 HydrophobicContact CB-CB 4.04Å; P344-I369 HydrophobicContact CB-CD1 4.47Å; P344-I369 HydrophobicContact CB-CG2 3.79Å; P344-I369 HydrophobicContact CG-CG2 3.81Å; F347-I369 HydrophobicContact CD1-CD1 3.49Å; F347-I369 VanDerWaalsContact CD1-CD1 3.49Å; F347-I369 HydrophobicContact CE1-CD1 4Å; F347-I369 HydrophobicContact CG-CD1 4.42Å; V365-I369 HydrophobicContact CG1-CD1 3.68Å; V365-I369 HydrophobicContact CG1-CG1 4.33Å; V365-I369 VanDerWaalsContact O-CG1 3.31Å; V365-I369 WeakPolarHBondContact O-CG1 3.36Å; V365-I369 PolarHBondContact O-N 3.44Å; I369-G371 VanDerWaalsContact C-N 3.3Å; I369-G371 PolarHBondContact O-N 2.92Å; I369-Q372 PolarHBondContact O-N 3.04Å; I369-Q372 VanDerWaalsContact O-N 3.08Å; I369-L373 HydrophobicContact CG2-CD1 3.73Å; I369-L373 HydrophobicContact CG2-CG 4.02Å; I369-L373 VanDerWaalsContact O-CG 3.3Å; I369-L373 WeakPolarHBondContact O-CG 3.31Å; I369-L373 PolarHBondContact O-N 3.48Å
370R94.9Very high91.7Very high57 Ų5732 Ų3222%0.21515%0.153CC..Hα-helixtrans-56.4-42.4-179.1-77.5-170.1177.7-81-11.3113.3L240 P242 P344 E345 A366 Y367 Q372 L373 A374L240-R370 PolarHBondContact O-NH1 3.16Å; P242-R370 HydrophobicContact CB-CB 4.01Å; P242-R370 HydrophobicContact CG-CB 3.99Å; P344-R370 HydrophobicContact CB-CG 4.02Å; P344-R370 HydrophobicContact CG-CG 3.88Å; E345-R370 VanDerWaalsContact CD-NH2 3.31Å; E345-R370 IonicContact OE1-CZ 3.64Å; E345-R370 IonicContact OE1-NE 3.51Å; E345-R370 PolarHBondContact OE1-NE 3.04Å; E345-R370 IonicContact OE1-NH2 3.43Å; E345-R370 PolarHBondContact OE1-NH2 3.23Å; E345-R370 IonicContact OE2-CZ 3.39Å; E345-R370 IonicContact OE2-NE 2.86Å; E345-R370 IonicContact OE2-NH2 3.63Å; E345-R370 PolarHBondContact OE2-NH2 3.08Å; A366-R370 WeakPolarHBondContact O-CB 3.32Å; A366-R370 WeakPolarHBondContact O-CG 3.45Å; A366-R370 PolarHBondContact O-N 3.23Å; Y367-R370 PolarHBondContact O-N 3.18Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.82Å; R370-L373 PolarHBondContact O-N 3.17Å; R370-A374 WeakPolarHBondContact O-CB 3.47Å; R370-A374 PolarHBondContact O-N 3.43Å
371G93.6Very high90.5Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-61.9-42.4178.200000112.5H193 Y367 S368 I369 W375H193-G371 VanDerWaalsContact CG-CA 3.47Å; Y367-G371 PolarHBondContact O-N 2.76Å; S368-G371 PolarHBondContact O-N 3.04Å; I369-G371 VanDerWaalsContact C-N 3.3Å; I369-G371 PolarHBondContact O-N 2.92Å; G371-W375 PolarHBondContact O-N 3.32Å; G371-W375 VanDerWaalsContact O-N 3.17Å
372Q93.9Very high89.2Confident6 Ų639.3 Ų39.33%0.02820%0.2CC..Hα-helixtrans-69-42.6176.1-68.9-175.863.700112L194 I318 R319 S368 I369 R370 A374 W375 H376L194-Q372 HydrophobicContact CD2-CG 3.91Å; I318-Q372 HydrophobicContact CD1-CB 3.7Å; R319-Q372 PolarHBondContact O-NE2 3.44Å; S368-Q372 VanDerWaalsContact O-CG 3.3Å; S368-Q372 WeakPolarHBondContact O-CG 3.38Å; S368-Q372 PolarHBondContact O-N 2.87Å; S368-Q372 PolarHBondContact OG-NE2 3.13Å; S368-Q372 VanDerWaalsContact OG-NE2 3.14Å; I369-Q372 PolarHBondContact O-N 3.04Å; I369-Q372 VanDerWaalsContact O-N 3.08Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.82Å; Q372-A374 PolarHBondContact O-N 2.98Å; Q372-W375 PolarHBondContact O-N 3.49Å; Q372-H376 WeakPolarHBondContact O-CB 3.35Å; Q372-H376 PolarHBondContact O-CD2 2.96Å; Q372-H376 PolarHBondContact O-N 3.33Å
373L91.9Very high87.7Confident20 Ų2040.3 Ų40.311%0.10521%0.208CC..Hα-helixtrans-60.3-46.4176.5-63177.6000111.3V316 I318 W335 L337 P344 I369 R370 W375 H376 Q377V316-L373 HydrophobicContact CG2-CD2 4.39Å; I318-L373 HydrophobicContact CD1-CD2 3.79Å; I318-L373 HydrophobicContact CD1-CG 4.39Å; I318-L373 HydrophobicContact CG1-CD2 4.47Å; W335-L373 HydrophobicContact CB-CD2 4.41Å; W335-L373 HydrophobicContact CD2-CD2 4.38Å; W335-L373 HydrophobicContact CG-CD2 3.79Å; W335-L373 HydrophobicContact CZ2-CD1 4.22Å; L337-L373 HydrophobicContact CD2-CB 4.09Å; L337-L373 HydrophobicContact CD2-CD2 3.44Å; L337-L373 VanDerWaalsContact CD2-CD2 3.44Å; L337-L373 HydrophobicContact CD2-CG 4.28Å; L337-L373 HydrophobicContact CG-CD2 4.4Å; P344-L373 HydrophobicContact CG-CD1 4.05Å; I369-L373 HydrophobicContact CG2-CD1 3.73Å; I369-L373 HydrophobicContact CG2-CG 4.02Å; I369-L373 VanDerWaalsContact O-CG 3.3Å; I369-L373 WeakPolarHBondContact O-CG 3.31Å; I369-L373 PolarHBondContact O-N 3.48Å; R370-L373 PolarHBondContact O-N 3.17Å; L373-W375 VanDerWaalsContact C-N 3.27Å; L373-W375 PolarHBondContact O-N 2.93Å; L373-H376 PolarHBondContact O-N 3.25Å; L373-Q377 WeakPolarHBondContact O-CB 3.4Å; L373-Q377 VanDerWaalsContact O-CG 3.31Å; L373-Q377 WeakPolarHBondContact O-CG 3.31Å; L373-Q377 PolarHBondContact O-N 3.47Å
374A89.7Confident85.9Confident7 Ų746.3 Ų46.36%0.05823%0.232CC..Hα-helixtrans-60.8-37.6177.600000112.3P303 R370 Q372 K378P303-A374 HydrophobicContact CG-CB 4.36Å; R370-A374 WeakPolarHBondContact O-CB 3.47Å; R370-A374 PolarHBondContact O-N 3.43Å; Q372-A374 PolarHBondContact O-N 2.98Å; A374-K378 PolarHBondContact O-N 3.33Å
375W87.3Confident84.7Confident61 Ų6150.8 Ų50.823%0.23126%0.263CS..Hα-helixtrans-67.7-48.1174.3-177.584.6000111.7L194 G371 Q372 L373 Q377 K378 I379L194-W375 HydrophobicContact CD1-CD2 3.76Å; L194-W375 HydrophobicContact CD1-CE3 4Å; L194-W375 HydrophobicContact CD1-CG 4.29Å; L194-W375 HydrophobicContact CD1-CH2 4.03Å; L194-W375 HydrophobicContact CD1-CZ2 3.84Å; L194-W375 HydrophobicContact CD1-CZ3 4.11Å; L194-W375 HydrophobicContact CD2-CD2 4.25Å; L194-W375 HydrophobicContact CD2-CE3 3.94Å; L194-W375 HydrophobicContact CD2-CZ3 4.33Å; L194-W375 HydrophobicContact CG-CD2 4.3Å; L194-W375 HydrophobicContact CG-CE3 4.45Å; G371-W375 PolarHBondContact O-N 3.32Å; G371-W375 VanDerWaalsContact O-N 3.17Å; Q372-W375 PolarHBondContact O-N 3.49Å; L373-W375 VanDerWaalsContact C-N 3.27Å; L373-W375 PolarHBondContact O-N 2.93Å; W375-Q377 PolarHBondContact O-N 3.19Å; W375-K378 WeakPolarHBondContact O-CB 3.37Å; W375-K378 PolarHBondContact O-N 3.15Å; W375-K378 VanDerWaalsContact O-N 3.16Å; W375-I379 HydrophobicContact CD2-CD1 4.45Å; W375-I379 HydrophobicContact CD2-CG1 4.24Å; W375-I379 HydrophobicContact CD2-CG2 4.48Å; W375-I379 HydrophobicContact CE3-CD1 3.88Å; W375-I379 HydrophobicContact CE3-CG1 3.96Å; W375-I379 HydrophobicContact CH2-CD1 3.24Å; W375-I379 HydrophobicContact CH2-CG1 4.03Å; W375-I379 HydrophobicContact CZ2-CD1 3.84Å; W375-I379 HydrophobicContact CZ2-CG1 4.26Å; W375-I379 HydrophobicContact CZ2-CG2 4.09Å; W375-I379 HydrophobicContact CZ3-CD1 3.26Å; W375-I379 HydrophobicContact CZ3-CG1 3.87Å; W375-I379 WeakPolarHBondContact O-CG1 3.27Å; W375-I379 PolarHBondContact O-N 3.39Å; W375-I379 VanDerWaalsContact O-N 3.15Å
376H87.7Confident83.8Confident30 Ų3055.3 Ų55.314%0.13929%0.292CS..Hα-helixtrans-60.7-44178.5-83.8-67.8000112.1V316 L337 Q372 L373 K378 I379 Y380V316-H376 HydrophobicContact CG1-CB 4.09Å; V316-H376 HydrophobicContact CG2-CB 4.37Å; L337-H376 HydrophobicContact CD1-CB 4.11Å; Q372-H376 WeakPolarHBondContact O-CB 3.35Å; Q372-H376 PolarHBondContact O-CD2 2.96Å; Q372-H376 PolarHBondContact O-N 3.33Å; L373-H376 PolarHBondContact O-N 3.25Å; H376-K378 PolarHBondContact O-N 3.09Å; H376-I379 PolarHBondContact O-N 3.16Å; H376-I379 VanDerWaalsContact O-N 3.15Å; H376-Y380 WeakPolarHBondContact O-CA 3.43Å; H376-Y380 VanDerWaalsContact O-CB 3.23Å; H376-Y380 WeakPolarHBondContact O-CB 3.39Å; H376-Y380 PolarHBondContact O-N 2.82Å
377Q85.8Confident83.2Confident53 Ų5357.6 Ų57.625%0.24830%0.304CS..Hα-helixtrans-56-38.8175.3-75.1175.7-3600112.3L308 L337 L373 W375L308-Q377 HydrophobicContact CD1-CG 4.38Å; L337-Q377 HydrophobicContact CD2-CG 4.07Å; L373-Q377 WeakPolarHBondContact O-CB 3.4Å; L373-Q377 VanDerWaalsContact O-CG 3.31Å; L373-Q377 WeakPolarHBondContact O-CG 3.31Å; L373-Q377 PolarHBondContact O-N 3.47Å; W375-Q377 PolarHBondContact O-N 3.19Å
378K82.3Confident82.7Confident112 Ų11262.5 Ų62.549%0.48734%0.336SS..Hα-helixtrans-69.6-38.6178.6-175.3177.6179.7178.40112.8A374 W375 H376A374-K378 PolarHBondContact O-N 3.33Å; W375-K378 WeakPolarHBondContact O-CB 3.37Å; W375-K378 PolarHBondContact O-N 3.15Å; W375-K378 VanDerWaalsContact O-N 3.16Å; H376-K378 PolarHBondContact O-N 3.09Å
379I80.6Confident82.1Confident55 Ų5567 Ų6728%0.28236%0.363SS..Hα-helixtrans-93.9-13.2-17664.2137.2000113.8W375 H376 A381 F382 S383W375-I379 HydrophobicContact CD2-CD1 4.45Å; W375-I379 HydrophobicContact CD2-CG1 4.24Å; W375-I379 HydrophobicContact CD2-CG2 4.48Å; W375-I379 HydrophobicContact CE3-CD1 3.88Å; W375-I379 HydrophobicContact CE3-CG1 3.96Å; W375-I379 HydrophobicContact CH2-CD1 3.24Å; W375-I379 HydrophobicContact CH2-CG1 4.03Å; W375-I379 HydrophobicContact CZ2-CD1 3.84Å; W375-I379 HydrophobicContact CZ2-CG1 4.26Å; W375-I379 HydrophobicContact CZ2-CG2 4.09Å; W375-I379 HydrophobicContact CZ3-CD1 3.26Å; W375-I379 HydrophobicContact CZ3-CG1 3.87Å; W375-I379 WeakPolarHBondContact O-CG1 3.27Å; W375-I379 PolarHBondContact O-N 3.39Å; W375-I379 VanDerWaalsContact O-N 3.15Å; H376-I379 PolarHBondContact O-N 3.16Å; H376-I379 VanDerWaalsContact O-N 3.15Å; I379-A381 VanDerWaalsContact C-N 3.26Å; I379-A381 PolarHBondContact O-N 3.48Å; I379-F382 CarbonylContact O-C 3.51Å; I379-F382 WeakPolarHBondContact O-CA 3.46Å; I379-F382 WeakPolarHBondContact O-CB 3.15Å; I379-F382 PolarHBondContact O-N 2.87Å; I379-S383 PolarHBondContact O-N 2.97Å
380Y72.9Confident81.6Confident49 Ų4970.4 Ų70.419%0.19238%0.383CS..G310 helixtrans-56.4-40-172.3-173.6-97.5000112.5L308 Q311 T314 L337 H376 F382 S383L308-Y380 HydrophobicContact CD2-CD1 3.53Å; L308-Y380 HydrophobicContact CD2-CE1 3.84Å; L308-Y380 HydrophobicContact CD2-CG 4.2Å; Q311-Y380 VanDerWaalsContact OE1-CE1 3.31Å; T314-Y380 HydrophobicContact CG2-CE1 4.37Å; T314-Y380 WeakPolarHBondContact CG2-OH 3.37Å; L337-Y380 HydrophobicContact CD1-CD2 4.41Å; H376-Y380 WeakPolarHBondContact O-CA 3.43Å; H376-Y380 VanDerWaalsContact O-CB 3.23Å; H376-Y380 WeakPolarHBondContact O-CB 3.39Å; H376-Y380 PolarHBondContact O-N 2.82Å; Y380-F382 PolarHBondContact O-N 2.9Å; Y380-S383 WeakPolarHBondContact O-CB 3.46Å; Y380-S383 PolarHBondContact O-N 3.37Å; Y380-S383 PolarHBondContact O-OG 3.32Å
381A67.5Low81.2Confident89 Ų8974.8 Ų74.874%0.73641%0.411SS*.G310 helixtrans-58.7-17.7175.600000114.2I379I379-A381 VanDerWaalsContact C-N 3.26Å; I379-A381 PolarHBondContact O-N 3.48Å
382F69.2Low81Confident170 Ų17080.8 Ų80.875%0.74644%0.442SS*.G310 helixtrans-109.32.6178.5-53-81.6000112.7I379 Y380 E384I379-F382 CarbonylContact O-C 3.51Å; I379-F382 WeakPolarHBondContact O-CA 3.46Å; I379-F382 WeakPolarHBondContact O-CB 3.15Å; I379-F382 PolarHBondContact O-N 2.87Å; Y380-F382 PolarHBondContact O-N 2.9Å; F382-E384 PolarHBondContact O-N 2.73Å
383S66.6Low80.7Confident54 Ų5486.9 Ų86.938%0.37848%0.479SS..  trans-79120.917971.60000110.5I379 Y380I379-S383 PolarHBondContact O-N 2.97Å; Y380-S383 WeakPolarHBondContact O-CB 3.46Å; Y380-S383 PolarHBondContact O-N 3.37Å; Y380-S383 PolarHBondContact O-OG 3.32Å
384E58Low80.6Confident194 Ų19494.1 Ų94.191%0.90751%0.51SS*.SBendtrans-88.7-11.3-175.2-67.2-175.3167.400113.9F382F382-E384 PolarHBondContact O-N 2.73Å
385S71Confident80.6Confident102 Ų10298 Ų9871%0.71352%0.523SS*.  trans-137.189.4-175.460.10000111.4
386P77.8Confident80.8Confident94 Ų94100.5 Ų100.561%0.6154%0.541SS*.PPolyproline II helixtrans-61.1152.9171.327.5-33.7000110.3
387L85.6Confident80.9Confident54 Ų54104 Ų10428%0.28357%0.569SS.*PPolyproline II helixtrans-63.6144.2173.9-66.3176.3000110R315 I317 E334R315-L387 HydrophobicContact CB-CD1 3.89Å; I317-L387 HydrophobicContact CD1-CD2 4.44Å; I317-L387 HydrophobicContact CG1-CD1 4.06Å; E334-L387 HydrophobicContact CG-CD1 4.29Å
388P86.5Confident81.2Confident104 Ų104109 Ų10968%0.67560%0.597SS**PPolyproline II helixtrans-64.1143.1176.228.1-34.5000110.2R315R315-P388 PolarHBondContact NH1-O 3.21Å; R315-P388 PolarHBondContact NH2-O 3.42Å
389T85.3Confident81.6Confident96 Ų96107.5 Ų107.559%0.58959%0.592SS**PPolyproline II helixtrans-53.6139.1178.453.50000111.5D313 R315 D391D313-T389 WeakPolarHBondContact OD2-CG2 3.36Å; R315-T389 VanDerWaalsContact NH2-CA 3.34Å; T389-D391 PolarHBondContact O-N 3.46Å
390V86Confident82.1Confident71 Ų71106.6 Ų106.643%0.4359%0.593SS.*  trans-83110.7178-174.70000110.2I392V390-I392 WeakPolarHBondContact CG1-O 3.32Å
391D85.9Confident83Confident150 Ų150110.9 Ų110.980%0.80262%0.619SS**SBendtrans-85.4-34172.5-62.6-31.9000112.3T389T389-D391 PolarHBondContact O-N 3.46Å
392I89.9Confident84.2Confident126 Ų126113.1 Ų113.165%0.64661%0.614SS**  trans-125.3119.1-177.8-57.5175.2000108.9V390 F394V390-I392 WeakPolarHBondContact CG1-O 3.32Å; I392-F394 HydrophobicContact CG2-CB 4.37Å; I392-F394 PolarHBondContact O-N 2.81Å
393V87.6Confident85.4Confident133 Ų133107.2 Ų107.281%0.80659%0.587SS**SBendtrans-65.7-28.6-176.9-1760000112.4
394F90.1Very high86.8Confident172 Ų172107.3 Ų107.375%0.75459%0.588SS**SBendtrans-85.8128177.7-61.2-74.2000111.1I392I392-F394 HydrophobicContact CG2-CB 4.37Å; I392-F394 PolarHBondContact O-N 2.81Å
395R89Confident88.7Confident90 Ų90100.4 Ų100.434%0.3456%0.56SS.*PPolyproline II helixtrans-69.4153.4169.1-64-167.8-177.5-76-2.8111E334 E399 W403E334-R395 VanDerWaalsContact CD-NH2 3.28Å; E334-R395 IonicContact OE1-CZ 3.07Å; E334-R395 IonicContact OE1-NH1 2.67Å; E334-R395 PolarHBondContact OE1-NH1 3.49Å; E334-R395 IonicContact OE1-NH2 3.67Å; E334-R395 PolarHBondContact OE1-NH2 2.94Å; R395-E399 HydrophobicContact CB-CB 4.47Å; R395-W403 VanDerWaalsContact CD-CD1 3.46Å; R395-W403 VanDerWaalsContact CD-CG 3.46Å; R395-W403 VanDerWaalsContact CZ-CD2 3.44Å; R395-W403 VanDerWaalsContact NE-CG 3.28Å; R395-W403 VanDerWaalsContact NH2-CH2 3.33Å; R395-W403 VanDerWaalsContact NH2-CZ3 3.31Å
396N91Very high89.9Confident113 Ų11399.4 Ų99.460%0.60455%0.549SS*.PPolyproline II helixtrans-63.9147.9172.2-67.9-23.5000110.4N398 E399 A400N396-N398 PolarHBondContact O-N 3.03Å; N396-E399 PolarHBondContact O-N 3.12Å; N396-A400 PolarHBondContact O-N 2.97Å; N396-A400 VanDerWaalsContact O-N 3.11Å
397S91Very high90.8Very high102 Ų10297.9 Ų97.971%0.71354%0.538SS*.Hα-helixtrans-55.6-29.1-179.1-54.70000113.8E399 A400S397-E399 VanDerWaalsContact C-N 3.28Å; S397-E399 PolarHBondContact O-N 2.88Å; S397-A400 PolarHBondContact O-N 3.26Å
398N91.6Very high91.3Very high159 Ų15999.7 Ų99.785%0.8555%0.545SS*.Hα-helixtrans-71.2-22.1178.2-60.9-12.7000113.5N396N396-N398 PolarHBondContact O-N 3.03Å
399E90.5Very high91.8Very high81 Ų81100.1 Ų100.138%0.37955%0.546SS..Hα-helixtrans-99.8-20.3178.1-64.7178.6-17800111.7R395 N396 S397 D401 Q402 W403R395-E399 HydrophobicContact CB-CB 4.47Å; N396-E399 PolarHBondContact O-N 3.12Å; S397-E399 VanDerWaalsContact C-N 3.28Å; S397-E399 PolarHBondContact O-N 2.88Å; E399-D401 VanDerWaalsContact C-N 3.31Å; E399-D401 PolarHBondContact O-N 2.95Å; E399-Q402 WeakPolarHBondContact O-CB 3.38Å; E399-Q402 PolarHBondContact O-N 2.87Å; E399-W403 VanDerWaalsContact O-CD1 3.29Å; E399-W403 PolarHBondContact O-N 2.95Å
400A90.8Very high92.2Very high36 Ų3695.9 Ų95.930%0.29852%0.519SS..Hα-helixtrans-54.2-44.7-174.300000112.8N396 S397 Q402 W403 S404N396-A400 PolarHBondContact O-N 2.97Å; N396-A400 VanDerWaalsContact O-N 3.11Å; S397-A400 PolarHBondContact O-N 3.26Å; A400-Q402 VanDerWaalsContact C-N 3.27Å; A400-Q402 PolarHBondContact O-N 2.85Å; A400-W403 CarbonylContact O-C 3.58Å; A400-W403 PolarHBondContact O-N 3.05Å; A400-S404 WeakPolarHBondContact O-CB 3.44Å; A400-S404 PolarHBondContact O-N 2.77Å; A400-S404 PolarHBondContact O-OG 2.99Å
401D91.6Very high92.7Very high138 Ų13896.2 Ų96.274%0.73852%0.521SS*.G310 helixtrans-63-33.7178.8-67.8-18.1000112.4E399E399-D401 VanDerWaalsContact C-N 3.31Å; E399-D401 PolarHBondContact O-N 2.95Å
402Q93Very high93.1Very high136 Ų13694.7 Ų94.764%0.63651%0.513SS*.G310 helixtrans-74.6-27.1179.9-167.9-175.311.900112.6Q332 E399 A400Q332-Q402 PolarHBondContact NE2-O 3.23Å; E399-Q402 WeakPolarHBondContact O-CB 3.38Å; E399-Q402 PolarHBondContact O-N 2.87Å; A400-Q402 VanDerWaalsContact C-N 3.27Å; A400-Q402 PolarHBondContact O-N 2.85Å
403W95.1Very high93.3Very high46 Ų4691.9 Ų91.917%0.17451%0.509CS..G310 helixtrans-103.87.8-179.4-70.188.9000112.9I317 Q332 E334 R395 E399 A400I317-W403 HydrophobicContact CD1-CH2 3.88Å; I317-W403 HydrophobicContact CD1-CZ2 4.48Å; I317-W403 HydrophobicContact CG1-CH2 4.06Å; I317-W403 HydrophobicContact CG2-CH2 4.11Å; I317-W403 HydrophobicContact CG2-CZ3 4.22Å; Q332-W403 HydrophobicContact CB-CE3 4.46Å; Q332-W403 HydrophobicContact CB-CZ3 4.47Å; Q332-W403 HydrophobicContact CG-CD2 4.26Å; Q332-W403 HydrophobicContact CG-CE3 3.87Å; Q332-W403 HydrophobicContact CG-CZ3 4.26Å; Q332-W403 VanDerWaalsContact O-CE3 3.27Å; E334-W403 HydrophobicContact CG-CH2 3.97Å; E334-W403 HydrophobicContact CG-CZ3 4.08Å; R395-W403 VanDerWaalsContact CD-CD1 3.46Å; R395-W403 VanDerWaalsContact CD-CG 3.46Å; R395-W403 VanDerWaalsContact CZ-CD2 3.44Å; R395-W403 VanDerWaalsContact NE-CG 3.28Å; R395-W403 VanDerWaalsContact NH2-CH2 3.33Å; R395-W403 VanDerWaalsContact NH2-CZ3 3.31Å; E399-W403 VanDerWaalsContact O-CD1 3.29Å; E399-W403 PolarHBondContact O-N 2.95Å; A400-W403 CarbonylContact O-C 3.58Å; A400-W403 PolarHBondContact O-N 3.05Å
404S95.2Very high93.7Very high57 Ų5789.7 Ų89.740%0.39949%0.49SS..SBendtrans-86.8139.9174.5-66.80000110.3A400 V406A400-S404 WeakPolarHBondContact O-CB 3.44Å; A400-S404 PolarHBondContact O-N 2.77Å; A400-S404 PolarHBondContact O-OG 2.99Å; S404-V406 PolarHBondContact O-N 2.87Å
405P97.3Very high93.7Very high49 Ų4982 Ų8232%0.31846%0.456SS..  trans-63.6135.6173.525.3-33.5000110.4L329 D331 L355L329-P405 HydrophobicContact CD1-CB 4.44Å; D331-P405 HydrophobicContact CB-CB 4.07Å; L355-P405 HydrophobicContact CD1-CB 3.91Å; L355-P405 HydrophobicContact CD1-CG 4.3Å; L355-P405 HydrophobicContact CD2-CB 4.27Å; L355-P405 HydrophobicContact CD2-CG 3.92Å
406V97.1Very high93.9Very high80 Ų8082.9 Ų82.949%0.48546%0.464SS..EExtended strand (participates in β ladder)trans-112.8117.5176.5-178.40000108.9V330 S404V330-V406 PolarHBondContact N-O 3.5Å; V330-V406 PolarHBondContact O-N 3.48Å; S404-V406 PolarHBondContact O-N 2.87Å
407V97.4Very high94Very high62 Ų6283.4 Ų83.438%0.37646%0.461SS..EExtended strand (participates in β ladder)trans-106.5118.4171.6-179.30000108.5I327 S328 L329 L355 L357I327-V407 HydrophobicContact CG2-CG1 3.75Å; S328-V407 WeakPolarHBondContact O-CA 3.46Å; L329-V407 HydrophobicContact CD1-CG2 3.97Å; L355-V407 HydrophobicContact CB-CG2 4.26Å; L355-V407 HydrophobicContact CD1-CG2 3.94Å; L355-V407 HydrophobicContact CD2-CG2 4.35Å; L355-V407 HydrophobicContact CG-CG2 4.42Å; L357-V407 HydrophobicContact CD1-CG2 4.36Å; L357-V407 HydrophobicContact CD2-CG1 3.98Å; L357-V407 HydrophobicContact CD2-CG2 4.4Å
408E96Very high94Very high93 Ų9381.4 Ų81.444%0.43544%0.44SS..EExtended strand (participates in β ladder)trans-123.9135.7-177.6-174-179.9-15600110.4I327 S328 L410I327-E408 WeakPolarHBondContact CA-O 3.21Å; S328-E408 PolarHBondContact N-O 2.79Å; S328-E408 PolarHBondContact O-N 2.88Å; E408-L410 HydrophobicContact CG-CD2 3.92Å; E408-L410 WeakPolarHBondContact OE2-CD2 3.37Å
409V96.2Very high93.8Very high113 Ų11376.8 Ų76.869%0.68541%0.414SS*.EExtended strand (participates in β ladder)trans-91.9114.4169.3-177.50000108.1I327I327-V409 HydrophobicContact CG1-CG2 4.46Å
410L93.9Very high93.8Very high7 Ų778.6 Ų78.64%0.03742%0.417CS..  trans-89.5146.8179.8-58.3178000111N326 E408 E414 M415 K418N326-L410 WeakPolarHBondContact CB-O 3.5Å; N326-L410 PolarHBondContact ND2-O 2.83Å; N326-L410 PolarHBondContact O-N 3.46Å; E408-L410 HydrophobicContact CG-CD2 3.92Å; E408-L410 WeakPolarHBondContact OE2-CD2 3.37Å; L410-E414 HydrophobicContact CB-CB 4.11Å; L410-E414 HydrophobicContact CD2-CB 4.34Å; L410-M415 HydrophobicContact CB-CB 4.44Å; L410-M415 HydrophobicContact CD1-CE 4.21Å; L410-K418 HydrophobicContact CD1-CD 3.69Å; L410-K418 HydrophobicContact CD1-CG 4.42Å
411T96.1Very high93.7Very high77 Ų7779.4 Ų79.447%0.47242%0.417SS..  trans-68.7158.9164.563.20000110.8A413 E414 M415T411-A413 PolarHBondContact O-N 3.06Å; T411-E414 WeakPolarHBondContact CB-OE2 3.31Å; T411-E414 WeakPolarHBondContact CG2-OE2 3.36Å; T411-E414 PolarHBondContact N-OE2 2.87Å; T411-E414 PolarHBondContact O-N 2.92Å; T411-E414 VanDerWaalsContact O-N 3.09Å; T411-E414 VanDerWaalsContact OG1-CG 3.27Å; T411-E414 WeakPolarHBondContact OG1-CG 3.44Å; T411-E414 PolarHBondContact OG1-N 2.82Å; T411-E414 PolarHBondContact OG1-OE2 3.33Å; T411-M415 PolarHBondContact O-N 3.41Å
412D93.8Very high93.5Very high119 Ų11973.5 Ų73.564%0.63639%0.385SS*.Hα-helixtrans-55.5-38.4176.9-64.9-18.7000112N326 M415 E416N326-D412 PolarHBondContact ND2-OD1 3.22Å; D412-M415 PolarHBondContact O-N 2.61Å; D412-E416 VanDerWaalsContact O-CB 3.25Å; D412-E416 WeakPolarHBondContact O-CB 3.49Å; D412-E416 PolarHBondContact O-N 3.26Å
413A95.5Very high93.1Very high66 Ų6668.1 Ų68.155%0.54536%0.36SS..Hα-helixtrans-67.1-38.8178.500000112.7T411 K417T411-A413 PolarHBondContact O-N 3.06Å; A413-K417 WeakPolarHBondContact O-CB 3.5Å; A413-K417 PolarHBondContact O-N 3.23Å
414E94.9Very high92.8Very high87 Ų8773 Ų7341%0.40738%0.379SS..Hα-helixtrans-69.6-44.2175.7-73.7162151.700111.4L410 T411 K417 K418L410-E414 HydrophobicContact CB-CB 4.11Å; L410-E414 HydrophobicContact CD2-CB 4.34Å; T411-E414 WeakPolarHBondContact CB-OE2 3.31Å; T411-E414 WeakPolarHBondContact CG2-OE2 3.36Å; T411-E414 PolarHBondContact N-OE2 2.87Å; T411-E414 PolarHBondContact O-N 2.92Å; T411-E414 VanDerWaalsContact O-N 3.09Å; T411-E414 VanDerWaalsContact OG1-CG 3.27Å; T411-E414 WeakPolarHBondContact OG1-CG 3.44Å; T411-E414 PolarHBondContact OG1-N 2.82Å; T411-E414 PolarHBondContact OG1-OE2 3.33Å; E414-K417 WeakPolarHBondContact O-CB 3.46Å; E414-K417 PolarHBondContact O-N 3.5Å; E414-K418 PolarHBondContact O-N 2.84Å
415M91.7Very high92.4Very high11 Ų1172.9 Ų72.95%0.05437%0.374CS..Hα-helixtrans-61.6-47.2176.5179.852.591.100110.9H323 G325 L410 T411 D412 K417 K418 I419H323-M415 HydrophobicContact CB-CE 3.74Å; H323-M415 HydrophobicContact CB-SD 4.26Å; G325-M415 WeakPolarHBondContact O-CE 3.49Å; L410-M415 HydrophobicContact CB-CB 4.44Å; L410-M415 HydrophobicContact CD1-CE 4.21Å; T411-M415 PolarHBondContact O-N 3.41Å; D412-M415 PolarHBondContact O-N 2.61Å; M415-K417 VanDerWaalsContact C-N 3.28Å; M415-K417 PolarHBondContact O-N 2.95Å; M415-K418 PolarHBondContact O-N 3.28Å; M415-K418 VanDerWaalsContact O-N 3.11Å; M415-I419 HydrophobicContact CG-CD1 4.06Å; M415-I419 WeakPolarHBondContact O-CG1 3.45Å; M415-I419 PolarHBondContact O-N 3.23Å; M415-I419 HydrophobicContact SD-CD1 4.2Å; M415-I419 HydrophobicContact SD-CG1 4.2Å
416E91.9Very high91.6Very high109 Ų10971.2 Ų71.251%0.50936%0.363SS..Hα-helixtrans-62-37.6177.5-159.8-163.1179.400111.7D412 I419 R420D412-E416 VanDerWaalsContact O-CB 3.25Å; D412-E416 WeakPolarHBondContact O-CB 3.49Å; D412-E416 PolarHBondContact O-N 3.26Å; E416-I419 PolarHBondContact O-N 3.02Å; E416-R420 VanDerWaalsContact CG-NH1 3.28Å; E416-R420 WeakPolarHBondContact O-CG 3.46Å; E416-R420 PolarHBondContact O-N 3.19Å; E416-R420 IonicContact OE1-NH1 3.93Å; E416-R420 PolarHBondContact OE1-NH1 3.22Å; E416-R420 IonicContact OE2-CZ 2.66Å; E416-R420 IonicContact OE2-NH1 3.62Å; E416-R420 PolarHBondContact OE2-NH1 3.1Å; E416-R420 IonicContact OE2-NH2 3.97Å
417K93.5Very high91Very high124 Ų12472.4 Ų72.454%0.53936%0.359SS..Hα-helixtrans-62.2-46.4172.3-176.3-175.8173.1-169.70111.6A413 E414 M415 I419 R420 D421A413-K417 WeakPolarHBondContact O-CB 3.5Å; A413-K417 PolarHBondContact O-N 3.23Å; E414-K417 WeakPolarHBondContact O-CB 3.46Å; E414-K417 PolarHBondContact O-N 3.5Å; M415-K417 VanDerWaalsContact C-N 3.28Å; M415-K417 PolarHBondContact O-N 2.95Å; K417-I419 PolarHBondContact O-N 2.78Å; K417-R420 PolarHBondContact O-N 3.22Å; K417-D421 PolarHBondContact O-N 2.89Å
418K90.2Very high90.4Very high60 Ų6076.5 Ų76.526%0.26137%0.367SS..Hα-helixtrans-59.6-45.3176.7-75.8-157.9-176.6-174.60111.8H323 S328 L410 E414 M415 R420 D421 Q422H323-K418 PolarHBondContact CE1-NZ 3.01Å; H323-K418 WeakPolarHBondContact NE2-CD 3.41Å; S328-K418 PolarHBondContact OG-NZ 2.97Å; L410-K418 HydrophobicContact CD1-CD 3.69Å; L410-K418 HydrophobicContact CD1-CG 4.42Å; E414-K418 PolarHBondContact O-N 2.84Å; M415-K418 PolarHBondContact O-N 3.28Å; M415-K418 VanDerWaalsContact O-N 3.11Å; K418-R420 VanDerWaalsContact C-N 3.34Å; K418-R420 PolarHBondContact O-N 3.03Å; K418-D421 PolarHBondContact O-N 3Å; K418-Q422 WeakPolarHBondContact O-CB 3.46Å; K418-Q422 PolarHBondContact O-N 3.33Å
419I88Confident89.5Confident61 Ų6174.7 Ų74.731%0.31336%0.359SS..Hα-helixtrans-58.3-46.7176.9-68.4168.5000110.6M415 E416 K417 D421 Q422 D423M415-I419 HydrophobicContact CG-CD1 4.06Å; M415-I419 WeakPolarHBondContact O-CG1 3.45Å; M415-I419 PolarHBondContact O-N 3.23Å; M415-I419 HydrophobicContact SD-CD1 4.2Å; M415-I419 HydrophobicContact SD-CG1 4.2Å; E416-I419 PolarHBondContact O-N 3.02Å; K417-I419 PolarHBondContact O-N 2.78Å; I419-D421 PolarHBondContact O-N 3.15Å; I419-Q422 PolarHBondContact O-N 3.15Å; I419-D423 WeakPolarHBondContact O-CB 3.34Å; I419-D423 PolarHBondContact O-N 3.08Å
420R89.9Confident88.7Confident119 Ų11974.9 Ų74.945%0.44935%0.348SS..Hα-helixtrans-63-40.4177.7-73-173.9-61.1-106.3-3.9113E416 K417 K418 D423 R424E416-R420 VanDerWaalsContact CG-NH1 3.28Å; E416-R420 WeakPolarHBondContact O-CG 3.46Å; E416-R420 PolarHBondContact O-N 3.19Å; E416-R420 IonicContact OE1-NH1 3.93Å; E416-R420 PolarHBondContact OE1-NH1 3.22Å; E416-R420 IonicContact OE2-CZ 2.66Å; E416-R420 IonicContact OE2-NH1 3.62Å; E416-R420 PolarHBondContact OE2-NH1 3.1Å; E416-R420 IonicContact OE2-NH2 3.97Å; K417-R420 PolarHBondContact O-N 3.22Å; K418-R420 VanDerWaalsContact C-N 3.34Å; K418-R420 PolarHBondContact O-N 3.03Å; R420-D423 WeakPolarHBondContact O-CB 3.44Å; R420-D423 PolarHBondContact O-N 3.41Å; R420-R424 WeakPolarHBondContact O-CB 3.43Å; R420-R424 PolarHBondContact O-N 3.23Å
421D89.5Confident88Confident54 Ų5482.9 Ų82.929%0.28938%0.378SS..Hα-helixtrans-68.5-42.4179.5-77-25.6000111.4K417 K418 I419 R424 N425K417-D421 PolarHBondContact O-N 2.89Å; K418-D421 PolarHBondContact O-N 3Å; I419-D421 PolarHBondContact O-N 3.15Å; D421-R424 WeakPolarHBondContact O-CB 3.23Å; D421-R424 PolarHBondContact O-N 3.21Å; D421-R424 IonicContact OD1-CZ 3.91Å; D421-R424 IonicContact OD1-NH1 3.53Å; D421-R424 PolarHBondContact OD1-NH1 3.3Å; D421-R424 IonicContact OD1-NH2 2.66Å; D421-R424 PolarHBondContact OD1-NH2 3.28Å; D421-N425 PolarHBondContact O-N 3.01Å
422Q86.8Confident87.2Confident13 Ų1383.2 Ų83.26%0.06138%0.376CS..Hα-helixtrans-59.2-47.7172.6-174.1-175.931.800110.8S196 V197 P198 K418 I419 R424 N425 T426S196-Q422 VanDerWaalsContact C-NE2 3.27Å; S196-Q422 PolarHBondContact O-NE2 3.11Å; V197-Q422 VanDerWaalsContact C-NE2 3.31Å; V197-Q422 PolarHBondContact O-NE2 3.13Å; P198-Q422 VanDerWaalsContact CA-NE2 3.3Å; K418-Q422 WeakPolarHBondContact O-CB 3.46Å; K418-Q422 PolarHBondContact O-N 3.33Å; I419-Q422 PolarHBondContact O-N 3.15Å; Q422-R424 VanDerWaalsContact C-N 3.3Å; Q422-R424 PolarHBondContact O-N 2.85Å; Q422-N425 CarbonylContact O-C 3.46Å; Q422-N425 WeakPolarHBondContact O-CA 3.48Å; Q422-N425 WeakPolarHBondContact O-CB 3.46Å; Q422-N425 PolarHBondContact O-N 2.72Å; Q422-T426 PolarHBondContact O-N 3.42Å; Q422-T426 PolarHBondContact O-OG1 2.87Å
423D85.5Confident86.1Confident23 Ų2379.1 Ų79.112%0.12336%0.358CS..Hα-helixtrans-55-43.9175-109.738.7000113.3R255 I419 R420 R427R255-D423 IonicContact CZ-OD1 2.8Å; R255-D423 IonicContact NH1-OD1 3.66Å; R255-D423 PolarHBondContact NH1-OD1 3.18Å; R255-D423 IonicContact NH2-OD1 2.71Å; R255-D423 PolarHBondContact NH2-OD1 2.65Å; R255-D423 IonicContact NH2-OD2 3.83Å; I419-D423 WeakPolarHBondContact O-CB 3.34Å; I419-D423 PolarHBondContact O-N 3.08Å; R420-D423 WeakPolarHBondContact O-CB 3.44Å; R420-D423 PolarHBondContact O-N 3.41Å; D423-R427 WeakPolarHBondContact O-CB 3.4Å; D423-R427 WeakPolarHBondContact O-CG 3.45Å; D423-R427 PolarHBondContact O-N 3.42Å; D423-R427 PolarHBondContact O-NH1 2.75Å; D423-R427 IonicContact OD2-NH1 3.99Å; D423-R427 PolarHBondContact OD2-NH1 2.73Å
424R89.2Confident85.1Confident149 Ų14982.5 Ų82.556%0.56237%0.367SS*.Hα-helixtrans-65.3-41.9176.6-174.2179.165.5-126.8-5.3110.7R420 D421 Q422 R427 R428R420-R424 WeakPolarHBondContact O-CB 3.43Å; R420-R424 PolarHBondContact O-N 3.23Å; D421-R424 WeakPolarHBondContact O-CB 3.23Å; D421-R424 PolarHBondContact O-N 3.21Å; D421-R424 IonicContact OD1-CZ 3.91Å; D421-R424 IonicContact OD1-NH1 3.53Å; D421-R424 PolarHBondContact OD1-NH1 3.3Å; D421-R424 IonicContact OD1-NH2 2.66Å; D421-R424 PolarHBondContact OD1-NH2 3.28Å; Q422-R424 VanDerWaalsContact C-N 3.3Å; Q422-R424 PolarHBondContact O-N 2.85Å; R424-R427 PolarHBondContact O-N 2.72Å; R424-R428 WeakPolarHBondContact O-CB 3.45Å; R424-R428 PolarHBondContact O-N 2.68Å
425N85.1Confident84.1Confident55 Ų5581.9 Ų81.929%0.29438%0.377SS..Hα-helixtrans-63.9-49.2177.1-175.459.1000111.7D195 D421 Q422 R427 R428 M429D195-N425 PolarHBondContact OD1-ND2 3.03Å; D421-N425 PolarHBondContact O-N 3.01Å; Q422-N425 CarbonylContact O-C 3.46Å; Q422-N425 WeakPolarHBondContact O-CA 3.48Å; Q422-N425 WeakPolarHBondContact O-CB 3.46Å; Q422-N425 PolarHBondContact O-N 2.72Å; N425-R427 VanDerWaalsContact C-N 3.31Å; N425-R427 PolarHBondContact O-N 3.46Å; N425-R428 CarbonylContact O-C 3.54Å; N425-R428 WeakPolarHBondContact O-CA 3.26Å; N425-R428 WeakPolarHBondContact O-CB 3.43Å; N425-R428 PolarHBondContact O-N 3.34Å; N425-M429 WeakPolarHBondContact O-CG 3.46Å; N425-M429 PolarHBondContact O-N 3.06Å
426T82.4Confident82.5Confident14 Ų1488.4 Ų88.49%0.08641%0.408CS..Hα-helixtrans-57.6-43.9177.1-57.80000111.3Q422 R428 M429 R430Q422-T426 PolarHBondContact O-N 3.42Å; Q422-T426 PolarHBondContact O-OG1 2.87Å; T426-R428 VanDerWaalsContact C-N 3.34Å; T426-R428 PolarHBondContact O-N 3.22Å; T426-M429 PolarHBondContact O-N 3.32Å; T426-R430 WeakPolarHBondContact O-CG 3.5Å; T426-R430 PolarHBondContact O-N 3.19Å
427R83.1Confident80.4Confident105 Ų10587.5 Ų87.540%0.39641%0.411SS..Hα-helixtrans-62.1-39.5174.3-75.3-172.4-66.6-88.31.8112.6D423 R424 N425 R431D423-R427 WeakPolarHBondContact O-CB 3.4Å; D423-R427 WeakPolarHBondContact O-CG 3.45Å; D423-R427 PolarHBondContact O-N 3.42Å; D423-R427 PolarHBondContact O-NH1 2.75Å; D423-R427 IonicContact OD2-NH1 3.99Å; D423-R427 PolarHBondContact OD2-NH1 2.73Å; R424-R427 PolarHBondContact O-N 2.72Å; N425-R427 VanDerWaalsContact C-N 3.31Å; N425-R427 PolarHBondContact O-N 3.46Å; R427-R431 VanDerWaalsContact O-CG 3.26Å; R427-R431 WeakPolarHBondContact O-CG 3.41Å; R427-R431 PolarHBondContact O-N 2.85Å
428R85.6Confident78.2Confident147 Ų14788.1 Ų88.156%0.55542%0.42SS*.Hα-helixtrans-63.3-47.8175.5178.8-179.2177.7-96.7-0.2110.9R424 N425 T426 R431 L432R424-R428 WeakPolarHBondContact O-CB 3.45Å; R424-R428 PolarHBondContact O-N 2.68Å; N425-R428 CarbonylContact O-C 3.54Å; N425-R428 WeakPolarHBondContact O-CA 3.26Å; N425-R428 WeakPolarHBondContact O-CB 3.43Å; N425-R428 PolarHBondContact O-N 3.34Å; T426-R428 VanDerWaalsContact C-N 3.34Å; T426-R428 PolarHBondContact O-N 3.22Å; R428-R431 WeakPolarHBondContact O-CB 3.29Å; R428-R431 PolarHBondContact O-N 2.94Å; R428-L432 HydrophobicContact CG-CD1 4.24Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 3.49Å
429M77.3Confident75.7Confident55 Ų5599.3 Ų99.327%0.27146%0.461SS..Hα-helixtrans-64.6-41.1-179-68.2-54.1-69.300112.4N425 T426 R431 L432 A433N425-M429 WeakPolarHBondContact O-CG 3.46Å; N425-M429 PolarHBondContact O-N 3.06Å; T426-M429 PolarHBondContact O-N 3.32Å; M429-R431 VanDerWaalsContact C-N 3.33Å; M429-R431 PolarHBondContact O-N 3.03Å; M429-L432 PolarHBondContact O-N 3.42Å; M429-L432 HydrophobicContact SD-CD1 4.09Å; M429-A433 WeakPolarHBondContact O-CB 3.2Å; M429-A433 PolarHBondContact O-N 3.16Å
430R77.8Confident75.1Confident118 Ų118101.3 Ų101.345%0.44547%0.469SS..Hα-helixtrans-60.1-40.7173.4-71.6-179.3-168.4169.45.7112.6D246 T426 N434D246-R430 IonicContact OD1-NH2 2.63Å; D246-R430 PolarHBondContact OD1-NH2 2.66Å; D246-R430 IonicContact OD2-CZ 3Å; D246-R430 IonicContact OD2-NH2 3.17Å; D246-R430 PolarHBondContact OD2-NH2 2.67Å; T426-R430 WeakPolarHBondContact O-CG 3.5Å; T426-R430 PolarHBondContact O-N 3.19Å; R430-N434 VanDerWaalsContact O-CG 3.29Å; R430-N434 PolarHBondContact O-N 3.25Å; R430-N434 VanDerWaalsContact O-N 3.1Å
431R81.1Confident74.3Confident175 Ų175100.3 Ų100.366%0.6647%0.47SS*.Hα-helixtrans-65.1-40.2176.3-70.3168.7-172.8167.70.5111.8R427 R428 M429 A435R427-R431 VanDerWaalsContact O-CG 3.26Å; R427-R431 WeakPolarHBondContact O-CG 3.41Å; R427-R431 PolarHBondContact O-N 2.85Å; R428-R431 WeakPolarHBondContact O-CB 3.29Å; R428-R431 PolarHBondContact O-N 2.94Å; M429-R431 VanDerWaalsContact C-N 3.33Å; M429-R431 PolarHBondContact O-N 3.03Å; R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.46Å; R431-A435 PolarHBondContact O-N 2.91Å; R431-A435 VanDerWaalsContact O-N 3.13Å
432L78.8Confident73.5Confident84 Ų84102.9 Ų102.944%0.4448%0.48SS..Hα-helixtrans-67-43.9177.2-70.6172.4000111.8R428 M429 N434 A435 Q436R428-L432 HydrophobicContact CG-CD1 4.24Å; R428-L432 WeakPolarHBondContact O-CG 3.49Å; R428-L432 PolarHBondContact O-N 3.49Å; M429-L432 PolarHBondContact O-N 3.42Å; M429-L432 HydrophobicContact SD-CD1 4.09Å; L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.04Å; L432-A435 PolarHBondContact O-N 3.11Å; L432-A435 VanDerWaalsContact O-N 3.11Å; L432-Q436 PolarHBondContact O-N 3.48Å
433A70.7Confident72.7Confident32 Ų32108.2 Ų108.226%0.26450%0.504SS..Hα-helixtrans-60.2-41.5177.100000111.9M429 A435M429-A433 WeakPolarHBondContact O-CB 3.2Å; M429-A433 PolarHBondContact O-N 3.16Å; A433-A435 VanDerWaalsContact C-N 3.28Å; A433-A435 PolarHBondContact O-N 3.26Å
434N73.9Confident71.9Confident138 Ų138113.5 Ų113.574%0.73853%0.528SS*.Hα-helixtrans-75.4-14.5177.4-66.9-2.3000113.9R430 L432R430-N434 VanDerWaalsContact O-CG 3.29Å; R430-N434 PolarHBondContact O-N 3.25Å; R430-N434 VanDerWaalsContact O-N 3.1Å; L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.04Å
435A73.2Confident70.8Confident74 Ų74111.1 Ų111.161%0.61253%0.526SS*.Hα-helixtrans-93.1-8.7179.300000113.1R431 L432 A433R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.46Å; R431-A435 PolarHBondContact O-N 2.91Å; R431-A435 VanDerWaalsContact O-N 3.13Å; L432-A435 PolarHBondContact O-N 3.11Å; L432-A435 VanDerWaalsContact O-N 3.11Å; A433-A435 VanDerWaalsContact C-N 3.28Å; A433-A435 PolarHBondContact O-N 3.26Å
436Q58.8Low69.7Low148 Ų148115.1 Ų115.169%0.69254%0.542SS*.SBendtrans-64.9126.8173.4-70.8-168.5-27.100109L432 N438L432-Q436 PolarHBondContact O-N 3.48Å; Q436-N438 PolarHBondContact O-N 2.98Å
437P48.3Very low68.8Low90 Ų90122.9 Ų122.958%0.58458%0.577SS**  trans-59.2128.5172.7-16.627.9000108.8W439P437-W439 PolarHBondContact O-N 3.41Å
438N46.6Very low67.6Low137 Ų137124.4 Ų124.473%0.73359%0.593SS**  trans-65.9102.4163-75.54000106.3Q436Q436-N438 PolarHBondContact O-N 2.98Å
439W38.6Very low65.9Low295 Ų295122.4 Ų122.4100%1.11760%0.596SS**  trans-75.70169.9-6788.6000110.4P437P437-W439 PolarHBondContact O-N 3.41Å

Retrieved 439 of 439 residues in 248.9 ms (Link to these results)

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