G4VH76_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession G4VH76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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
1M57Low65Low211 Ų211125.4 Ų125.4100%1.03962%0.623SS**  0-59.30-82.8-179.4168.800114.4H3 I4M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.35Å; M1-H3 VanDerWaalsContact O-N 3.08Å; M1-I4 PolarHBondContact O-N 3.07Å
2K59.7Low64.3Low192 Ų192120 Ų12084%0.83561%0.607SS**Hα-helixtrans-50.9-37.5-172.7-69.8-175.3177.9-179.90115.9
3H56.8Low63.6Low153 Ų153114.6 Ų114.671%0.70859%0.592SS**Hα-helixtrans-69.4-29.8177.7-67.6-72.4000114.6M1 L6 I7M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.35Å; M1-H3 VanDerWaalsContact O-N 3.08Å; H3-L6 PolarHBondContact O-N 3.11Å; H3-I7 WeakPolarHBondContact O-CG1 3.38Å; H3-I7 PolarHBondContact O-N 3.05Å; H3-I7 VanDerWaalsContact O-N 3.1Å
4I66Low63.1Low116 Ų116114.1 Ų114.160%0.59559%0.589SS**Hα-helixtrans-69.2-42.3-178.7-60173.6000109.9M1 L6 I7 T8M1-I4 PolarHBondContact O-N 3.07Å; I4-L6 VanDerWaalsContact C-N 3.25Å; I4-L6 PolarHBondContact O-N 3.47Å; I4-I7 PolarHBondContact O-N 3.41Å; I4-T8 PolarHBondContact O-N 3.45Å; I4-T8 PolarHBondContact O-OG1 3.44Å; I4-T8 VanDerWaalsContact O-OG1 3.1Å
5L67.1Low62.1Low115 Ų115110.4 Ų110.460%0.60258%0.582SS**Hα-helixtrans-58.9-39.2175.1-16284.5000111.7T8 I9L5-T8 WeakPolarHBondContact CA-OG1 3.2Å; L5-T8 PolarHBondContact O-N 3.19Å; L5-T8 PolarHBondContact O-OG1 3.46Å; L5-I9 HydrophobicContact CD2-CD1 4.26Å; L5-I9 HydrophobicContact CG-CD1 4.12Å; L5-I9 WeakPolarHBondContact O-CD1 3.25Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.44Å
6L67.4Low61.1Low105 Ų105112 Ų11255%0.5559%0.591SS.*Hα-helixtrans-71.8-36.5-177.1-150.6144.4000111.6H3 I4 L10H3-L6 PolarHBondContact O-N 3.11Å; I4-L6 VanDerWaalsContact C-N 3.25Å; I4-L6 PolarHBondContact O-N 3.47Å; L6-L10 HydrophobicContact CD2-CD1 3.7Å; L6-L10 PolarHBondContact O-N 3.33Å
7I71.1Confident60.1Low98 Ų98110.8 Ų110.850%0.50358%0.584SS.*Hα-helixtrans-66.2-45.4172.1-66.2165.1000110.9H3 I4 I9 L10 Q11H3-I7 WeakPolarHBondContact O-CG1 3.38Å; H3-I7 PolarHBondContact O-N 3.05Å; H3-I7 VanDerWaalsContact O-N 3.1Å; I4-I7 PolarHBondContact O-N 3.41Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.99Å; I7-L10 PolarHBondContact O-N 3.21Å; I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CG 3.17Å; I7-Q11 PolarHBondContact O-N 3.41Å
8T68.5Low58.8Low71 Ų71114.5 Ų114.544%0.43660%0.597SS.*Hα-helixtrans-65-36178.445.20000112.8I4 L5 Q11 S12I4-T8 PolarHBondContact O-N 3.45Å; I4-T8 PolarHBondContact O-OG1 3.44Å; I4-T8 VanDerWaalsContact O-OG1 3.1Å; L5-T8 WeakPolarHBondContact CA-OG1 3.2Å; L5-T8 PolarHBondContact O-N 3.19Å; L5-T8 PolarHBondContact O-OG1 3.46Å; T8-Q11 PolarHBondContact O-N 2.78Å; T8-S12 WeakPolarHBondContact O-CB 3.24Å; T8-S12 PolarHBondContact O-N 3.39Å; T8-S12 PolarHBondContact O-OG 2.93Å
9I69Low57.8Low99 Ų99114.5 Ų114.551%0.50860%0.602SS.*Hα-helixtrans-65.3-45.5173.4-69.3164.8000110.1L5 I7 Q11 S12 A13L5-I9 HydrophobicContact CD2-CD1 4.26Å; L5-I9 HydrophobicContact CG-CD1 4.12Å; L5-I9 WeakPolarHBondContact O-CD1 3.25Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.44Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.99Å; I9-Q11 PolarHBondContact O-N 3.42Å; I9-S12 PolarHBondContact O-N 3.3Å; I9-S12 PolarHBondContact O-OG 3.4Å; I9-A13 WeakPolarHBondContact O-CB 3.07Å; I9-A13 PolarHBondContact O-N 2.92Å
10L66Low56.6Low95 Ų95118 Ų11850%0.49762%0.615SS.*Hα-helixtrans-61.1-42.7175-104.1125.3000112.7L6 I7 A13 I14L6-L10 HydrophobicContact CD2-CD1 3.7Å; L6-L10 PolarHBondContact O-N 3.33Å; I7-L10 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 2.97Å; L10-I14 HydrophobicContact CD2-CD1 4.29Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 WeakPolarHBondContact O-CD1 3.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 2.65Å
11Q66.3Low55.5Low124 Ų124115.9 Ų115.958%0.57962%0.622SS**Hα-helixtrans-64.1-41.5176-75.7178.2-42.100111.9I7 T8 I9 A13 I14 A15I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CG 3.17Å; I7-Q11 PolarHBondContact O-N 3.41Å; T8-Q11 PolarHBondContact O-N 2.78Å; I9-Q11 PolarHBondContact O-N 3.42Å; Q11-A13 VanDerWaalsContact C-N 3.3Å; Q11-A13 PolarHBondContact O-N 3.31Å; Q11-I14 PolarHBondContact O-N 3.43Å; Q11-A15 WeakPolarHBondContact O-CB 3.24Å; Q11-A15 PolarHBondContact O-N 3.1Å
12S57.3Low55Low61 Ų61114.8 Ų114.843%0.42761%0.606SS.*Hα-helixtrans-65.6-33.117472.80000112.9T8 I9 N16T8-S12 WeakPolarHBondContact O-CB 3.24Å; T8-S12 PolarHBondContact O-N 3.39Å; T8-S12 PolarHBondContact O-OG 2.93Å; I9-S12 PolarHBondContact O-N 3.3Å; I9-S12 PolarHBondContact O-OG 3.4Å; S12-N16 WeakPolarHBondContact O-CB 3.37Å; S12-N16 PolarHBondContact O-N 3.04Å; S12-N16 VanDerWaalsContact O-N 3.12Å; S12-N16 PolarHBondContact O-ND2 3.29Å
13A54.4Low54.7Low50 Ų50110.8 Ų110.841%0.41359%0.591SS.*Hα-helixtrans-74.4-30.6175.600000112.5I9 L10 Q11 I17I9-A13 WeakPolarHBondContact O-CB 3.07Å; I9-A13 PolarHBondContact O-N 2.92Å; L10-A13 PolarHBondContact O-N 2.97Å; Q11-A13 VanDerWaalsContact C-N 3.3Å; Q11-A13 PolarHBondContact O-N 3.31Å; A13-I17 WeakPolarHBondContact O-CD1 3.34Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å
14I56.3Low55.1Low107 Ų107108.1 Ų108.155%0.54959%0.585SS.*Hα-helixtrans-78.8-40.9175.2-68162.5000110.7L10 Q11 N16 I17L10-I14 HydrophobicContact CD2-CD1 4.29Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 WeakPolarHBondContact O-CD1 3.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 2.65Å; Q11-I14 PolarHBondContact O-N 3.43Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 3Å; I14-I17 WeakPolarHBondContact O-CA 3.42Å; I14-I17 WeakPolarHBondContact O-CB 3.42Å; I14-I17 PolarHBondContact O-N 3.29Å
15A48.6Very low55.1Low59 Ų59103 Ų10349%0.48856%0.56SS.*Hα-helixtrans-62.4-40.7175.600000111.9Q11 I17 E18Q11-A15 WeakPolarHBondContact O-CB 3.24Å; Q11-A15 PolarHBondContact O-N 3.1Å; A15-I17 PolarHBondContact O-N 3.38Å; A15-I17 VanDerWaalsContact O-N 3.16Å; A15-E18 PolarHBondContact O-N 3.34Å; A15-E18 VanDerWaalsContact O-N 3.14Å
16N46.2Very low55.2Low136 Ų136103.2 Ų103.273%0.72756%0.56SS**THydrogen-bonded Turntrans-75.15.8172.8-69.3-23.1000114.1S12 I14S12-N16 WeakPolarHBondContact O-CB 3.37Å; S12-N16 PolarHBondContact O-N 3.04Å; S12-N16 VanDerWaalsContact O-N 3.12Å; S12-N16 PolarHBondContact O-ND2 3.29Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 3Å
17I44.6Very low55.2Low92 Ų92103.6 Ų103.647%0.47257%0.572SS.*THydrogen-bonded Turntrans-98.83168.9-70.8165.6000111.4A13 I14 A15 V19A13-I17 WeakPolarHBondContact O-CD1 3.34Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; I14-I17 WeakPolarHBondContact O-CA 3.42Å; I14-I17 WeakPolarHBondContact O-CB 3.42Å; I14-I17 PolarHBondContact O-N 3.29Å; A15-I17 PolarHBondContact O-N 3.38Å; A15-I17 VanDerWaalsContact O-N 3.16Å; I17-V19 PolarHBondContact O-N 2.84Å
18E37.1Very low55.3Low177 Ų177100.4 Ų100.483%0.82756%0.558SS**  trans-67.867.6149-69.4-172.115600109.3A15 Q20A15-E18 PolarHBondContact O-N 3.34Å; A15-E18 VanDerWaalsContact O-N 3.14Å; E18-Q20 PolarHBondContact O-N 3.49Å; E18-Q20 VanDerWaalsContact O-N 3.16Å
19V38.3Very low55.5Low114 Ų114103 Ų10369%0.69157%0.57SS**  trans-54.7118.7166.3174.50000106I17 G21I17-V19 PolarHBondContact O-N 2.84Å; V19-G21 PolarHBondContact O-N 2.87Å
20Q35.4Very low55.4Low185 Ų185101.8 Ų101.886%0.86456%0.563SS**  trans-36.5116.9170.5-71.6171.9-53.100108.6E18 R22E18-Q20 PolarHBondContact O-N 3.49Å; E18-Q20 VanDerWaalsContact O-N 3.16Å; Q20-R22 VanDerWaalsContact C-N 3.3Å; Q20-R22 PolarHBondContact O-N 3.11Å
21G32.8Very low55.6Low73 Ų7398.7 Ų98.775%0.75355%0.547SS*.  trans-57.894.3-171.900000110V19 E23V19-G21 PolarHBondContact O-N 2.87Å; G21-E23 VanDerWaalsContact C-N 3.27Å; G21-E23 PolarHBondContact O-N 3.22Å
22R46.2Very low55.7Low189 Ų189100.4 Ų100.471%0.71356%0.555SS**  trans-69.8100166.9-161.8178.7-160.5-160.71.7103.5Q20 V24Q20-R22 VanDerWaalsContact C-N 3.3Å; Q20-R22 PolarHBondContact O-N 3.11Å; R22-V24 WeakPolarHBondContact O-CG2 3.41Å; R22-V24 PolarHBondContact O-N 3.44Å
23E54.1Low56.1Low107 Ų107103.8 Ų103.850%0.556%0.564SS.*  trans-50.9134.2175.4-60.4168.5146.200107.3G21 V53 K69 L75G21-E23 VanDerWaalsContact C-N 3.27Å; G21-E23 PolarHBondContact O-N 3.22Å; E23-V53 WeakPolarHBondContact O-CG1 3.22Å; E23-K69 IonicContact OE2-NZ 3.37Å; E23-K69 PolarHBondContact OE2-NZ 3.11Å; E23-L75 HydrophobicContact CB-CD1 3.69Å; E23-L75 WeakPolarHBondContact O-CD1 3.43Å
24V63.7Low56.9Low97 Ų97102.5 Ų102.559%0.58855%0.552SS**  trans-133.2146174.1-175.40000105.9R22 V53R22-V24 WeakPolarHBondContact O-CG2 3.41Å; R22-V24 PolarHBondContact O-N 3.44Å; V24-V53 HydrophobicContact CG2-CG1 4.24Å
25C67.5Low57.7Low10 Ų10102.2 Ų102.27%0.06855%0.548CS..PPolyproline II helixtrans-54.3147.7172.2-76.10000111.5S27 C67 W77C25-S27 PolarHBondContact O-N 3.05Å; C25-C67 HydrophobicContact CB-CB 3.87Å; C25-C67 WeakPolarHBondContact CB-SG 3.11Å; C25-C67 VanDerWaalsContact SG-CA 3.52Å; C25-C67 WeakPolarHBondContact SG-CB 3.43Å; C25-C67 CovalentContact SG-SG 2.03Å; C25-C67 PolarHBondContact SG-SG 3.34Å; C25-W77 HydrophobicContact CB-CD2 4.22Å; C25-W77 HydrophobicContact CB-CH2 4.48Å; C25-W77 HydrophobicContact CB-CZ2 3.71Å
26L67.8Low58.5Low118 Ų118104.9 Ų104.962%0.61855%0.55SS**PPolyproline II helixtrans-54.9130.8177.4-82144.1000111W77 C83L26-W77 PolarHBondContact O-NE1 3.14Å; L26-C83 HydrophobicContact CB-CB 4.17Å; L26-C83 PolarHBondContact O-SG 3.08Å
27S68.1Low59.5Low113 Ų113102.3 Ų102.379%0.7954%0.539SS*.PPolyproline II helixtrans-91.4123.4173.459.40000110.5C25C25-S27 PolarHBondContact O-N 3.05Å
28C72Confident60.6Low32 Ų32102 Ų10222%0.21654%0.542CS..  trans-130160173.156.70000112.1I30 L31 C83C28-I30 PolarHBondContact O-N 2.89Å; C28-I30 VanDerWaalsContact O-N 3.16Å; C28-L31 WeakPolarHBondContact O-CB 3.11Å; C28-L31 PolarHBondContact O-N 3.27Å; C28-C83 HydrophobicContact CB-CB 3.58Å; C28-C83 WeakPolarHBondContact CB-SG 3.37Å; C28-C83 PolarHBondContact N-SG 3.28Å; C28-C83 WeakPolarHBondContact SG-CA 3.01Å; C28-C83 WeakPolarHBondContact SG-CB 3.33Å; C28-C83 PolarHBondContact SG-N 2.83Å; C28-C83 CovalentContact SG-SG 2.04Å; C28-C83 PolarHBondContact SG-SG 2.88Å
29D72.8Confident62.2Low126 Ų12694.9 Ų94.967%0.67451%0.511SS*.G310 helixtrans-60.2-27.8-174.8-65.8-37.9000113.8L31 Q32D29-L31 PolarHBondContact O-N 2.94Å; D29-Q32 VanDerWaalsContact O-CB 3.31Å; D29-Q32 WeakPolarHBondContact O-CB 3.41Å; D29-Q32 WeakPolarHBondContact O-CG 3.35Å; D29-Q32 PolarHBondContact O-N 2.84Å; D29-Q32 VanDerWaalsContact O-N 3.11Å; D29-Q32 PolarHBondContact OD1-NE2 2.9Å
30I67.6Low63.5Low73 Ų7393.9 Ų93.937%0.37450%0.502SS..G310 helixtrans-62-31.9176.9-68.4169.9000111.3C28 Q32 Q33 F62 P82C28-I30 PolarHBondContact O-N 2.89Å; C28-I30 VanDerWaalsContact O-N 3.16Å; I30-Q32 PolarHBondContact O-N 3.33Å; I30-Q33 WeakPolarHBondContact O-CB 3.01Å; I30-Q33 PolarHBondContact O-N 2.83Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; I30-F62 HydrophobicContact CG2-CD1 4.42Å; I30-F62 HydrophobicContact CG2-CE1 3.33Å; I30-F62 HydrophobicContact CG2-CZ 3.6Å; I30-P82 HydrophobicContact CB-CB 4.41Å; I30-P82 WeakPolarHBondContact CD1-O 3.28Å; I30-P82 HydrophobicContact CG2-CB 3.87Å
31L70.4Confident64.9Low30 Ų3088.9 Ų88.916%0.15748%0.481CS..G310 helixtrans-65.8-20.2177.2-59.8174.9000113.2C28 D29 Q33 C34 L58 I65 W77 P82C28-L31 WeakPolarHBondContact O-CB 3.11Å; C28-L31 PolarHBondContact O-N 3.27Å; D29-L31 PolarHBondContact O-N 2.94Å; L31-Q33 PolarHBondContact O-N 3.27Å; L31-C34 PolarHBondContact O-N 3.37Å; L31-L58 HydrophobicContact CD2-CD1 4.2Å; L31-I65 HydrophobicContact CD2-CD1 3.46Å; L31-I65 VanDerWaalsContact CD2-CD1 3.46Å; L31-W77 HydrophobicContact CD1-CH2 4.27Å; L31-W77 HydrophobicContact CD1-CZ2 3.48Å; L31-W77 VanDerWaalsContact CD1-CZ2 3.48Å; L31-W77 HydrophobicContact CD2-CH2 4.31Å; L31-W77 HydrophobicContact CD2-CZ2 4.05Å; L31-W77 HydrophobicContact CG-CZ2 4.44Å; L31-P82 HydrophobicContact CD2-CG 3.75Å
32Q67.5Low66.5Low160 Ų16088.4 Ų88.475%0.74846%0.464SS*.G310 helixtrans-66.9-14.2174.8-57.3-177.923.700112.7D29 I30D29-Q32 VanDerWaalsContact O-CB 3.31Å; D29-Q32 WeakPolarHBondContact O-CB 3.41Å; D29-Q32 WeakPolarHBondContact O-CG 3.35Å; D29-Q32 PolarHBondContact O-N 2.84Å; D29-Q32 VanDerWaalsContact O-N 3.11Å; D29-Q32 PolarHBondContact OD1-NE2 2.9Å; I30-Q32 PolarHBondContact O-N 3.33Å
33Q66.6Low67.7Low132 Ų13284.4 Ų84.462%0.61746%0.455SS*.G310 helixtrans-94.5-1.2177.9-54.6-178.225.800112.9I30 L31 P61I30-Q33 WeakPolarHBondContact O-CB 3.01Å; I30-Q33 PolarHBondContact O-N 2.83Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; L31-Q33 PolarHBondContact O-N 3.27Å; Q33-P61 HydrophobicContact CB-CG 4.28Å
34C72Confident68.3Low22 Ų2283 Ų8315%0.14945%0.451CS..PPolyproline II helixtrans-99.8138.7-176.5-48.70000112.1L31 L58 A59 C60L31-C34 PolarHBondContact O-N 3.37Å; C34-L58 HydrophobicContact CB-CB 3.94Å; C34-A59 CarbonylContact C-O 3.52Å; C34-A59 VanDerWaalsContact CA-O 3.27Å; C34-A59 WeakPolarHBondContact CA-O 3.32Å; C34-C60 HydrophobicContact CB-CB 3.98Å; C34-C60 WeakPolarHBondContact CB-SG 3.03Å; C34-C60 WeakPolarHBondContact SG-CB 3.44Å; C34-C60 CovalentContact SG-SG 2.03Å; C34-C60 PolarHBondContact SG-SG 3.35Å
35E71.4Confident68.3Low101 Ų10185.2 Ų85.247%0.47246%0.459SS..EExtended strand (participates in β ladder)trans-93.1130173.8-172.1171.2-169.400109.9V37 L58 A59 Q283E35-V37 PolarHBondContact O-N 2.99Å; E35-L58 CarbonylContact O-C 3.55Å; E35-L58 WeakPolarHBondContact O-CA 3.38Å; E35-A59 PolarHBondContact N-O 3.29Å; E35-A59 PolarHBondContact O-N 3.1Å; E35-Q283 PolarHBondContact OE1-NE2 2.82Å
36Q66.6Low68.3Low116 Ų11687.8 Ų87.854%0.54249%0.488SS..EExtended strand (participates in β ladder)trans-74.5117.3177.1-176.4-168.7-47.100110C39 L58Q36-C39 PolarHBondContact NE2-SG 2.91Å; Q36-L58 HydrophobicContact CB-CD2 3.85Å; Q36-L58 HydrophobicContact CG-CD2 4.04Å
37V66.3Low67.6Low81 Ų8186.3 Ų86.349%0.49148%0.484SS..EExtended strand (participates in β ladder)trans-93.7-55.5-171.5-163.90000111.7E35 E57 A59E35-V37 PolarHBondContact O-N 2.99Å; V37-E57 PolarHBondContact N-O 3.15Å; V37-A59 HydrophobicContact CG2-CB 3.42Å; V37-A59 VanDerWaalsContact CG2-CB 3.42Å
38V67.6Low67.3Low86 Ų8687.1 Ų87.152%0.52147%0.473SS..EExtended strand (participates in β ladder)trans-144.1142.2-177.8179.40000108.5C56 E57V38-C56 CarbonylContact O-C 3.51Å; V38-C56 WeakPolarHBondContact O-CA 3.02Å; V38-E57 PolarHBondContact O-N 3.04Å
39C71.9Confident67Low28 Ų2889.4 Ų89.419%0.18948%0.482CS..EExtended strand (participates in β ladder)trans-117.1137.8163-62.30000110.2Q36 G55 C56Q36-C39 PolarHBondContact NE2-SG 2.91Å; C39-G55 CarbonylContact C-O 3.57Å; C39-G55 WeakPolarHBondContact CA-O 3.44Å; C39-C56 HydrophobicContact CB-CB 4.16Å; C39-C56 WeakPolarHBondContact CB-SG 3.03Å; C39-C56 WeakPolarHBondContact SG-CB 3.26Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.12Å
40N64.1Low66.3Low92 Ų9285.6 Ų85.649%0.49247%0.465SS..  trans-56.6149.2167.8-164.47.9000110.5D51 G55N40-D51 PolarHBondContact O-N 2.73Å; N40-G55 PolarHBondContact N-O 2.93Å
41N66.6Low66.1Low81 Ų8183.7 Ų83.743%0.43346%0.455SS..EExtended strand (participates in β ladder)trans-124.8120.3-179.256.5-6.7000111.2F48 I49N41-F48 HydrophobicContact CB-CB 4.26Å; N41-F48 HydrophobicContact CB-CD1 4.09Å; N41-F48 WeakPolarHBondContact ND2-CD1 3.29Å; N41-I49 CarbonylContact C-O 3.58Å; N41-I49 WeakPolarHBondContact CA-O 3.35Å
42V66.2Low65.4Low63 Ų6389.9 Ų89.938%0.38248%0.478SS..EExtended strand (participates in β ladder)trans-89.2125.2176-177.90000108.4I44 I49 D51V42-I44 HydrophobicContact CB-CG1 4.42Å; V42-I44 HydrophobicContact CG1-CD1 4.15Å; V42-I44 HydrophobicContact CG1-CG1 3.8Å; V42-I44 PolarHBondContact O-N 2.86Å; V42-I49 PolarHBondContact N-O 2.96Å; V42-I49 PolarHBondContact O-N 2.67Å; V42-D51 HydrophobicContact CG2-CB 4.09Å
43L69.9Low64.8Low104 Ų10483.2 Ų83.255%0.54545%0.448SS..EExtended strand (participates in β ladder)trans-75.3109174.2-168.382.4000109.4F48L43-F48 HydrophobicContact CB-CD1 4.46Å; L43-F48 HydrophobicContact CB-CE1 4.4Å; L43-F48 HydrophobicContact CD1-CD1 3.88Å; L43-F48 HydrophobicContact CD1-CD2 3.96Å; L43-F48 HydrophobicContact CD1-CE1 3.79Å; L43-F48 HydrophobicContact CD1-CE2 3.85Å; L43-F48 HydrophobicContact CD1-CG 3.99Å; L43-F48 HydrophobicContact CD1-CZ 3.77Å
44I67.6Low64.4Low79 Ų7980.3 Ų80.341%0.40544%0.436SS..EExtended strand (participates in β ladder)trans-120.3120.5176.6-56.5-175.3000107.9V42 G46 T47 I49V42-I44 HydrophobicContact CB-CG1 4.42Å; V42-I44 HydrophobicContact CG1-CD1 4.15Å; V42-I44 HydrophobicContact CG1-CG1 3.8Å; V42-I44 PolarHBondContact O-N 2.86Å; I44-G46 VanDerWaalsContact C-N 3.3Å; I44-G46 PolarHBondContact O-N 3.11Å; I44-T47 PolarHBondContact N-O 3.2Å; I44-T47 WeakPolarHBondContact O-CB 3.48Å; I44-T47 PolarHBondContact O-N 2.89Å; I44-T47 VanDerWaalsContact O-O 3.13Å; I44-I49 HydrophobicContact CB-CD1 3.96Å; I44-I49 HydrophobicContact CB-CG1 4.41Å; I44-I49 HydrophobicContact CD1-CD1 4.25Å; I44-I49 HydrophobicContact CG1-CD1 4.44Å; I44-I49 HydrophobicContact CG2-CD1 4.49Å
45N63.8Low63.8Low142 Ų14280.1 Ų80.176%0.75944%0.438SS*.THydrogen-bonded Turntrans50.445.6-178.5-60.1-16.2000113.5T47N45-T47 PolarHBondContact O-N 2.85Å; N45-T47 VanDerWaalsContact O-N 3.14Å
46G66.8Low63.6Low65 Ų6576 Ų7667%0.6742%0.42SS*.THydrogen-bonded Turntrans70.32.5-17800000115.1I44I44-G46 VanDerWaalsContact C-N 3.3Å; I44-G46 PolarHBondContact O-N 3.11Å
47T53.3Low64Low87 Ų8774 Ų7453%0.53441%0.411SS..EExtended strand (participates in β ladder)trans-106.9128.5178.1-45.30000109.3I44 N45 I49I44-T47 PolarHBondContact N-O 3.2Å; I44-T47 WeakPolarHBondContact O-CB 3.48Å; I44-T47 PolarHBondContact O-N 2.89Å; I44-T47 VanDerWaalsContact O-O 3.13Å; N45-T47 PolarHBondContact O-N 2.85Å; N45-T47 VanDerWaalsContact O-N 3.14Å; T47-I49 PolarHBondContact O-N 2.87Å
48F63.4Low64.3Low129 Ų12971.3 Ų71.357%0.56639%0.393SS*.EExtended strand (participates in β ladder)trans-74.3111.3171.6-74-77.4000109.6N41 L43N41-F48 HydrophobicContact CB-CB 4.26Å; N41-F48 HydrophobicContact CB-CD1 4.09Å; N41-F48 WeakPolarHBondContact ND2-CD1 3.29Å; L43-F48 HydrophobicContact CB-CD1 4.46Å; L43-F48 HydrophobicContact CB-CE1 4.4Å; L43-F48 HydrophobicContact CD1-CD1 3.88Å; L43-F48 HydrophobicContact CD1-CD2 3.96Å; L43-F48 HydrophobicContact CD1-CE1 3.79Å; L43-F48 HydrophobicContact CD1-CE2 3.85Å; L43-F48 HydrophobicContact CD1-CG 3.99Å; L43-F48 HydrophobicContact CD1-CZ 3.77Å
49I63.9Low64.7Low80 Ų8068.7 Ų68.741%0.4138%0.381SS..EExtended strand (participates in β ladder)trans-103.3118.6175.6-57.9-171.4000107.8N41 V42 I44 T47 D51N41-I49 CarbonylContact C-O 3.58Å; N41-I49 WeakPolarHBondContact CA-O 3.35Å; V42-I49 PolarHBondContact N-O 2.96Å; V42-I49 PolarHBondContact O-N 2.67Å; I44-I49 HydrophobicContact CB-CD1 3.96Å; I44-I49 HydrophobicContact CB-CG1 4.41Å; I44-I49 HydrophobicContact CD1-CD1 4.25Å; I44-I49 HydrophobicContact CG1-CD1 4.44Å; I44-I49 HydrophobicContact CG2-CD1 4.49Å; T47-I49 PolarHBondContact O-N 2.87Å; I49-D51 PolarHBondContact O-N 2.99Å
50P59.8Low65Low47 Ų4768 Ų6831%0.30538%0.376SS..EExtended strand (participates in β ladder)trans-60.6127.5175.122.6-32000111Y52P50-Y52 HydrophobicContact CB-CE1 4.19Å; P50-Y52 HydrophobicContact CB-CE2 4.11Å; P50-Y52 HydrophobicContact CG-CD2 4.35Å; P50-Y52 HydrophobicContact CG-CE1 4.2Å; P50-Y52 HydrophobicContact CG-CE2 3.55Å; P50-Y52 VanDerWaalsContact CG-CZ 3.45Å; P50-Y52 WeakPolarHBondContact CG-OH 3.29Å; P50-Y52 WeakPolarHBondContact O-CD2 3.44Å; P50-Y52 PolarHBondContact O-N 2.91Å; P50-Y52 VanDerWaalsContact O-N 3.15Å
51D62.1Low65.3Low33 Ų3368.4 Ų68.418%0.17638%0.384CS..  trans-84.686173.4-167.2-19000109.7N40 V42 I49 V53 I54 G55N40-D51 PolarHBondContact O-N 2.73Å; V42-D51 HydrophobicContact CG2-CB 4.09Å; I49-D51 PolarHBondContact O-N 2.99Å; D51-V53 PolarHBondContact O-N 3.02Å; D51-V53 VanDerWaalsContact O-N 3.12Å; D51-V53 PolarHBondContact OD1-N 2.71Å; D51-I54 PolarHBondContact OD1-N 2.85Å; D51-G55 PolarHBondContact O-N 3.02Å
52Y56.8Low65.8Low160 Ų16069.7 Ų69.763%0.62739%0.385SS*.THydrogen-bonded Turntrans-63.9-6.3175.3-61.2-70.7000114.5P50P50-Y52 HydrophobicContact CB-CE1 4.19Å; P50-Y52 HydrophobicContact CB-CE2 4.11Å; P50-Y52 HydrophobicContact CG-CD2 4.35Å; P50-Y52 HydrophobicContact CG-CE1 4.2Å; P50-Y52 HydrophobicContact CG-CE2 3.55Å; P50-Y52 VanDerWaalsContact CG-CZ 3.45Å; P50-Y52 WeakPolarHBondContact CG-OH 3.29Å; P50-Y52 WeakPolarHBondContact O-CD2 3.44Å; P50-Y52 PolarHBondContact O-N 2.91Å; P50-Y52 VanDerWaalsContact O-N 3.15Å
53V55.2Low66.2Low19 Ų1968.1 Ų68.112%0.11538%0.383CS..THydrogen-bonded Turntrans-109-36.9-172.4-173.60000112.2E23 V24 D51 C67 L75E23-V53 WeakPolarHBondContact O-CG1 3.22Å; V24-V53 HydrophobicContact CG2-CG1 4.24Å; D51-V53 PolarHBondContact O-N 3.02Å; D51-V53 VanDerWaalsContact O-N 3.12Å; D51-V53 PolarHBondContact OD1-N 2.71Å; V53-C67 PolarHBondContact O-SG 2.96Å; V53-L75 HydrophobicContact CG1-CD1 4.29Å
54I57.6Low66.6Low71 Ų7167.2 Ų67.236%0.36438%0.378SS..THydrogen-bonded Turntrans-12817.2-169.1-38.4-176.6000112.6D51 C67 K69 L75D51-I54 PolarHBondContact OD1-N 2.85Å; I54-C67 CarbonylContact C-O 3.54Å; I54-K69 HydrophobicContact CG2-CB 4.01Å; I54-L75 HydrophobicContact CG1-CD2 4.19Å; I54-L75 HydrophobicContact CG2-CD2 4.1Å
55G58.8Low67.1Low19 Ų1963.8 Ų63.820%0.19636%0.36CS..  trans-155.913-172.900000118.4C39 N40 D51C39-G55 CarbonylContact C-O 3.57Å; C39-G55 WeakPolarHBondContact CA-O 3.44Å; N40-G55 PolarHBondContact N-O 2.93Å; D51-G55 PolarHBondContact O-N 3.02Å
56C67.9Low67.9Low15 Ų1558.2 Ų58.210%0.10133%0.333CS..EExtended strand (participates in β ladder)trans-91.8124.8177-61.20000112V38 C39V38-C56 CarbonylContact O-C 3.51Å; V38-C56 WeakPolarHBondContact O-CA 3.02Å; C39-C56 HydrophobicContact CB-CB 4.16Å; C39-C56 WeakPolarHBondContact CB-SG 3.03Å; C39-C56 WeakPolarHBondContact SG-CB 3.26Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.12Å
57E73.9Confident68.4Low74 Ų7455.6 Ų55.635%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-87.2125.7168.4-172.8177.5-173.500109.3V37 V38 N64 I65V37-E57 PolarHBondContact N-O 3.15Å; V38-E57 PolarHBondContact O-N 3.04Å; E57-N64 HydrophobicContact CG-CB 4.25Å; E57-N64 WeakPolarHBondContact OE1-CB 3.07Å; E57-N64 PolarHBondContact OE1-ND2 3.01Å; E57-I65 WeakPolarHBondContact CA-O 3.4Å
58L74.2Confident69.4Low24 Ų2455.7 Ų55.713%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-110.9123.2177.1-53.3-179.8000108.9L31 C34 E35 Q36 C60 N64 I65 W77L31-L58 HydrophobicContact CD2-CD1 4.2Å; C34-L58 HydrophobicContact CB-CB 3.94Å; E35-L58 CarbonylContact O-C 3.55Å; E35-L58 WeakPolarHBondContact O-CA 3.38Å; Q36-L58 HydrophobicContact CB-CD2 3.85Å; Q36-L58 HydrophobicContact CG-CD2 4.04Å; L58-C60 PolarHBondContact O-N 3.45Å; L58-N64 CarbonylContact O-C 3.59Å; L58-N64 WeakPolarHBondContact O-CA 3.48Å; L58-I65 HydrophobicContact CB-CG1 3.89Å; L58-I65 HydrophobicContact CD1-CD1 4.38Å; L58-I65 HydrophobicContact CD1-CG1 4.43Å; L58-I65 PolarHBondContact N-O 2.03Å; L58-I65 PolarHBondContact O-N 2.83Å; L58-W77 HydrophobicContact CD1-CH2 3.58Å; L58-W77 HydrophobicContact CD1-CZ3 3.66Å; L58-W77 HydrophobicContact CG-CZ3 4.29Å
59A75.5Confident69.9Low31 Ų3154.6 Ų54.626%0.25629%0.293SS..EExtended strand (participates in β ladder)trans-83107.6169.500000109C34 E35 V37C34-A59 CarbonylContact C-O 3.52Å; C34-A59 VanDerWaalsContact CA-O 3.27Å; C34-A59 WeakPolarHBondContact CA-O 3.32Å; E35-A59 PolarHBondContact N-O 3.29Å; E35-A59 PolarHBondContact O-N 3.1Å; V37-A59 HydrophobicContact CG2-CB 3.42Å; V37-A59 VanDerWaalsContact CG2-CB 3.42Å
60C77Confident70.4Confident13 Ų1353.8 Ų53.89%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-100.6162.2174.8-55.70000111C34 L58 F62 G63 I65C34-C60 HydrophobicContact CB-CB 3.98Å; C34-C60 WeakPolarHBondContact CB-SG 3.03Å; C34-C60 WeakPolarHBondContact SG-CB 3.44Å; C34-C60 CovalentContact SG-SG 2.03Å; C34-C60 PolarHBondContact SG-SG 3.35Å; L58-C60 PolarHBondContact O-N 3.45Å; C60-F62 HydrophobicContact CB-CD1 3.83Å; C60-F62 HydrophobicContact CB-CD2 3.99Å; C60-F62 HydrophobicContact CB-CE1 3.41Å; C60-F62 VanDerWaalsContact CB-CE1 3.41Å; C60-F62 HydrophobicContact CB-CE2 3.59Å; C60-F62 HydrophobicContact CB-CG 4.1Å; C60-F62 HydrophobicContact CB-CZ 3.29Å; C60-F62 PolarHBondContact O-N 3.28Å; C60-F62 WeakPolarHBondContact SG-CZ 3.47Å; C60-G63 WeakPolarHBondContact CA-O 3.04Å; C60-G63 VanDerWaalsContact CB-O 3.29Å; C60-G63 WeakPolarHBondContact CB-O 3.27Å; C60-G63 PolarHBondContact N-O 3.14Å; C60-G63 PolarHBondContact O-N 2.04Å; C60-I65 WeakPolarHBondContact SG-CD1 3.14Å
61P72.2Confident70.9Confident100 Ų10059.3 Ų59.365%0.64932%0.317SS*.THydrogen-bonded Turntrans-58.4-19.8176-25.335000114.8Q33Q33-P61 HydrophobicContact CB-CG 4.28Å
62F75.2Confident71.2Confident108 Ų10864.4 Ų64.447%0.47434%0.344SS..THydrogen-bonded Turntrans-100.81.2179.248.3-90.4000113.8I30 C60 I65 P82I30-F62 HydrophobicContact CG2-CD1 4.42Å; I30-F62 HydrophobicContact CG2-CE1 3.33Å; I30-F62 HydrophobicContact CG2-CZ 3.6Å; C60-F62 HydrophobicContact CB-CD1 3.83Å; C60-F62 HydrophobicContact CB-CD2 3.99Å; C60-F62 HydrophobicContact CB-CE1 3.41Å; C60-F62 VanDerWaalsContact CB-CE1 3.41Å; C60-F62 HydrophobicContact CB-CE2 3.59Å; C60-F62 HydrophobicContact CB-CG 4.1Å; C60-F62 HydrophobicContact CB-CZ 3.29Å; C60-F62 PolarHBondContact O-N 3.28Å; C60-F62 WeakPolarHBondContact SG-CZ 3.47Å; F62-I65 HydrophobicContact CE2-CG2 3.94Å; F62-P82 HydrophobicContact CE2-CB 3.98Å; F62-P82 HydrophobicContact CE2-CG 4.47Å; F62-P82 HydrophobicContact CZ-CB 3.71Å; F62-P82 HydrophobicContact CZ-CG 4.28Å
63G76.4Confident71.8Confident31 Ų3157.7 Ų57.732%0.3232%0.324SS..EExtended strand (participates in β ladder)trans132.2176.9179.800000113.3C60C60-G63 WeakPolarHBondContact CA-O 3.04Å; C60-G63 VanDerWaalsContact CB-O 3.29Å; C60-G63 WeakPolarHBondContact CB-O 3.27Å; C60-G63 PolarHBondContact N-O 3.14Å; C60-G63 PolarHBondContact O-N 2.04Å
64N78.5Confident72.5Confident85 Ų8560 Ų6046%0.45534%0.338SS..EExtended strand (participates in β ladder)trans-82.6130.7176.3-64.910.2000109.8E57 L58 P79E57-N64 HydrophobicContact CG-CB 4.25Å; E57-N64 WeakPolarHBondContact OE1-CB 3.07Å; E57-N64 PolarHBondContact OE1-ND2 3.01Å; L58-N64 CarbonylContact O-C 3.59Å; L58-N64 WeakPolarHBondContact O-CA 3.48Å; N64-P79 VanDerWaalsContact O-CD 3.29Å; N64-P79 WeakPolarHBondContact O-CD 3.46Å
65I77.3Confident73.1Confident6 Ų657.7 Ų57.73%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-120.3152.3173.965.5178.4000110.7L31 E57 L58 C60 F62 W77 L78 P82L31-I65 HydrophobicContact CD2-CD1 3.46Å; L31-I65 VanDerWaalsContact CD2-CD1 3.46Å; E57-I65 WeakPolarHBondContact CA-O 3.4Å; L58-I65 HydrophobicContact CB-CG1 3.89Å; L58-I65 HydrophobicContact CD1-CD1 4.38Å; L58-I65 HydrophobicContact CD1-CG1 4.43Å; L58-I65 PolarHBondContact N-O 2.03Å; L58-I65 PolarHBondContact O-N 2.83Å; C60-I65 WeakPolarHBondContact SG-CD1 3.14Å; F62-I65 HydrophobicContact CE2-CG2 3.94Å; I65-W77 HydrophobicContact CB-CE3 4.35Å; I65-W77 HydrophobicContact CD1-CD2 4.28Å; I65-W77 HydrophobicContact CD1-CE3 3.82Å; I65-W77 HydrophobicContact CD1-CZ3 4.15Å; I65-W77 HydrophobicContact CG1-CE3 3.99Å; I65-W77 HydrophobicContact CG1-CZ3 4.23Å; I65-L78 CarbonylContact C-O 3.49Å; I65-L78 VanDerWaalsContact CA-O 3.24Å; I65-L78 WeakPolarHBondContact CA-O 3.44Å; I65-P82 HydrophobicContact CD1-CG 3.78Å
66S79.7Confident73.8Confident26 Ų2659.2 Ų59.218%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-136.9140.3174.457.40000110.4Q68 L78S66-Q68 PolarHBondContact OG-NE2 2.89Å; S66-L78 PolarHBondContact N-O 3.05Å; S66-L78 PolarHBondContact O-N 2.95Å
67C77.9Confident74.4Confident9 Ų959.8 Ų59.86%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-81.2114.9170.2177.80000108.3C25 V53 I54 W77C25-C67 HydrophobicContact CB-CB 3.87Å; C25-C67 WeakPolarHBondContact CB-SG 3.11Å; C25-C67 VanDerWaalsContact SG-CA 3.52Å; C25-C67 WeakPolarHBondContact SG-CB 3.43Å; C25-C67 CovalentContact SG-SG 2.03Å; C25-C67 PolarHBondContact SG-SG 3.34Å; V53-C67 PolarHBondContact O-SG 2.96Å; I54-C67 CarbonylContact C-O 3.54Å; C67-W77 HydrophobicContact CB-CE3 4.01Å; C67-W77 HydrophobicContact CB-CH2 4.03Å; C67-W77 HydrophobicContact CB-CZ3 3.76Å
68Q74.4Confident74.4Confident90 Ų9059.6 Ų59.642%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-126.5158.2176.8-44.3-174.711.100110.9S66 L75 T76 L78S66-Q68 PolarHBondContact OG-NE2 2.89Å; Q68-L75 WeakPolarHBondContact O-CA 3.47Å; Q68-T76 PolarHBondContact N-O 2.83Å; Q68-T76 PolarHBondContact O-N 3.42Å; Q68-L78 HydrophobicContact CB-CD1 3.81Å; Q68-L78 HydrophobicContact CG-CD1 3.9Å
69K74.3Confident74.4Confident106 Ų10663.7 Ų63.746%0.46136%0.361SS..EExtended strand (participates in β ladder)trans-93.2112.7177.4-171.9162.5178.1126.40109.2E23 I54 G73 L75E23-K69 IonicContact OE2-NZ 3.37Å; E23-K69 PolarHBondContact OE2-NZ 3.11Å; I54-K69 HydrophobicContact CG2-CB 4.01Å; K69-G73 WeakPolarHBondContact CE-O 3.32Å; K69-G73 WeakPolarHBondContact CG-O 3.17Å; K69-G73 PolarHBondContact NZ-O 2.94Å; K69-G73 VanDerWaalsContact NZ-O 3.1Å; K69-L75 HydrophobicContact CB-CD2 3.76Å; K69-L75 HydrophobicContact CG-CD2 4.36Å
70D72.8Confident74.3Confident63 Ų6368.4 Ų68.434%0.33738%0.378SS..  trans-67.6163.4173.9-177.833.8000111N72 G73 T74D70-N72 PolarHBondContact O-N 2.88Å; D70-N72 VanDerWaalsContact O-N 3.11Å; D70-N72 PolarHBondContact OD2-ND2 3.44Å; D70-G73 WeakPolarHBondContact O-CA 3.4Å; D70-G73 PolarHBondContact O-N 2.78Å; D70-T74 PolarHBondContact N-O 3.46Å
71N70.4Confident74.2Confident163 Ų16369 Ų6987%0.87238%0.38SS*.THydrogen-bonded Turntrans-56.7-27.4-179.1-62.9-66.3000113.4G73N71-G73 PolarHBondContact O-N 3.05Å
72N69.9Low74Confident139 Ų13965.3 Ų65.374%0.74336%0.356SS*.THydrogen-bonded Turntrans-76.6-2175.3-64-45.1000113.7D70 T74D70-N72 PolarHBondContact O-N 2.88Å; D70-N72 VanDerWaalsContact O-N 3.11Å; D70-N72 PolarHBondContact OD2-ND2 3.44Å; N72-T74 VanDerWaalsContact C-N 3.3Å; N72-T74 PolarHBondContact O-N 2.91Å
73G68.9Low73.8Confident20 Ų2061.6 Ų61.621%0.20634%0.343CS..SBendtrans89.8-14-178.700000114.6K69 D70 N71K69-G73 WeakPolarHBondContact CE-O 3.32Å; K69-G73 WeakPolarHBondContact CG-O 3.17Å; K69-G73 PolarHBondContact NZ-O 2.94Å; K69-G73 VanDerWaalsContact NZ-O 3.1Å; D70-G73 WeakPolarHBondContact O-CA 3.4Å; D70-G73 PolarHBondContact O-N 2.78Å; N71-G73 PolarHBondContact O-N 3.05Å
74T69.1Low73.4Confident68 Ų6865.6 Ų65.642%0.41736%0.356SS..  trans-69.1135.2179.245.60000112.1D70 N72D70-T74 PolarHBondContact N-O 3.46Å; N72-T74 VanDerWaalsContact C-N 3.3Å; N72-T74 PolarHBondContact O-N 2.91Å
75L71Confident72.4Confident22 Ų2266.8 Ų66.812%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-87.5123.8173.3-73.8163.7000110.4E23 V53 I54 Q68 K69E23-L75 HydrophobicContact CB-CD1 3.69Å; E23-L75 WeakPolarHBondContact O-CD1 3.43Å; V53-L75 HydrophobicContact CG1-CD1 4.29Å; I54-L75 HydrophobicContact CG1-CD2 4.19Å; I54-L75 HydrophobicContact CG2-CD2 4.1Å; Q68-L75 WeakPolarHBondContact O-CA 3.47Å; K69-L75 HydrophobicContact CB-CD2 3.76Å; K69-L75 HydrophobicContact CG-CD2 4.36Å
76T73.9Confident71.2Confident51 Ų5173 Ų7331%0.31340%0.401SS..EExtended strand (participates in β ladder)trans-134.4152.3-177.751.50000111Q68Q68-T76 PolarHBondContact N-O 2.83Å; Q68-T76 PolarHBondContact O-N 3.42Å
77W79.4Confident69.5Low27 Ų2779.1 Ų79.110%0.10243%0.431CS..EExtended strand (participates in β ladder)trans-80.9134.1171.7-67107.9000110.4C25 L26 L31 L58 I65 C67 D81C25-W77 HydrophobicContact CB-CD2 4.22Å; C25-W77 HydrophobicContact CB-CH2 4.48Å; C25-W77 HydrophobicContact CB-CZ2 3.71Å; L26-W77 PolarHBondContact O-NE1 3.14Å; L31-W77 HydrophobicContact CD1-CH2 4.27Å; L31-W77 HydrophobicContact CD1-CZ2 3.48Å; L31-W77 VanDerWaalsContact CD1-CZ2 3.48Å; L31-W77 HydrophobicContact CD2-CH2 4.31Å; L31-W77 HydrophobicContact CD2-CZ2 4.05Å; L31-W77 HydrophobicContact CG-CZ2 4.44Å; L58-W77 HydrophobicContact CD1-CH2 3.58Å; L58-W77 HydrophobicContact CD1-CZ3 3.66Å; L58-W77 HydrophobicContact CG-CZ3 4.29Å; I65-W77 HydrophobicContact CB-CE3 4.35Å; I65-W77 HydrophobicContact CD1-CD2 4.28Å; I65-W77 HydrophobicContact CD1-CE3 3.82Å; I65-W77 HydrophobicContact CD1-CZ3 4.15Å; I65-W77 HydrophobicContact CG1-CE3 3.99Å; I65-W77 HydrophobicContact CG1-CZ3 4.23Å; C67-W77 HydrophobicContact CB-CE3 4.01Å; C67-W77 HydrophobicContact CB-CH2 4.03Å; C67-W77 HydrophobicContact CB-CZ3 3.76Å; W77-D81 HydrophobicContact CB-CB 3.99Å; W77-D81 PolarHBondContact N-OD2 2.76Å
78L75Confident67.5Low69 Ų6982.9 Ų82.936%0.36146%0.457SS..EExtended strand (participates in β ladder)trans-126.7143.3177.7-76.5150.4000109.9I65 S66 Q68I65-L78 CarbonylContact C-O 3.49Å; I65-L78 VanDerWaalsContact CA-O 3.24Å; I65-L78 WeakPolarHBondContact CA-O 3.44Å; S66-L78 PolarHBondContact N-O 3.05Å; S66-L78 PolarHBondContact O-N 2.95Å; Q68-L78 HydrophobicContact CB-CD1 3.81Å; Q68-L78 HydrophobicContact CG-CD1 3.9Å
79P72.8Confident65.7Low110 Ų11084.8 Ų84.871%0.71448%0.475SS*.SBendcis-83.4-23.98.232.3-36.1000115.3N64N64-P79 VanDerWaalsContact O-CD 3.29Å; N64-P79 WeakPolarHBondContact O-CD 3.46Å
80E75.3Confident63.9Low131 Ų13185.8 Ų85.861%0.61249%0.49SS*.SBendtrans-127.4140.1176.4-176.2168.6-159.900108.4P82E80-P82 WeakPolarHBondContact O-CD 3.46Å
81D73.9Confident62.4Low26 Ų2689.1 Ų89.114%0.13951%0.513CS..  trans-90108.6-176.9-167.7-43.3000110.6W77 C83 L84W77-D81 HydrophobicContact CB-CB 3.99Å; W77-D81 PolarHBondContact N-OD2 2.76Å; D81-C83 PolarHBondContact O-N 3.37Å; D81-C83 VanDerWaalsContact O-N 3.14Å; D81-C83 WeakPolarHBondContact OD1-CA 3.35Å; D81-C83 VanDerWaalsContact OD1-CB 3.26Å; D81-C83 WeakPolarHBondContact OD1-CB 3.39Å; D81-C83 PolarHBondContact OD1-N 2.98Å; D81-L84 HydrophobicContact CB-CD1 3.6Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 PolarHBondContact OD1-N 3.16Å
82P67.9Low60.8Low21 Ų2186.7 Ų86.714%0.13651%0.508CS..THydrogen-bonded Turntrans-71.2-8-176.833.5-38.1000112.9I30 L31 F62 I65 E80I30-P82 HydrophobicContact CB-CB 4.41Å; I30-P82 WeakPolarHBondContact CD1-O 3.28Å; I30-P82 HydrophobicContact CG2-CB 3.87Å; L31-P82 HydrophobicContact CD2-CG 3.75Å; F62-P82 HydrophobicContact CE2-CB 3.98Å; F62-P82 HydrophobicContact CE2-CG 4.47Å; F62-P82 HydrophobicContact CZ-CB 3.71Å; F62-P82 HydrophobicContact CZ-CG 4.28Å; I65-P82 HydrophobicContact CD1-CG 3.78Å; E80-P82 WeakPolarHBondContact O-CD 3.46Å
83C71.8Confident59.5Low31 Ų3188 Ų8821%0.20951%0.51CS..THydrogen-bonded Turntrans-99.2-9.2-178.9-53.90000112.9L26 C28 D81L26-C83 HydrophobicContact CB-CB 4.17Å; L26-C83 PolarHBondContact O-SG 3.08Å; C28-C83 HydrophobicContact CB-CB 3.58Å; C28-C83 WeakPolarHBondContact CB-SG 3.37Å; C28-C83 PolarHBondContact N-SG 3.28Å; C28-C83 WeakPolarHBondContact SG-CA 3.01Å; C28-C83 WeakPolarHBondContact SG-CB 3.33Å; C28-C83 PolarHBondContact SG-N 2.83Å; C28-C83 CovalentContact SG-SG 2.04Å; C28-C83 PolarHBondContact SG-SG 2.88Å; D81-C83 PolarHBondContact O-N 3.37Å; D81-C83 VanDerWaalsContact O-N 3.14Å; D81-C83 WeakPolarHBondContact OD1-CA 3.35Å; D81-C83 VanDerWaalsContact OD1-CB 3.26Å; D81-C83 WeakPolarHBondContact OD1-CB 3.39Å; D81-C83 PolarHBondContact OD1-N 2.98Å
84L68.5Low58Low114 Ų11492.3 Ų92.360%0.59754%0.535SS*.SBendtrans-78.6134.6168.6-95107.9000110.8D81 L86D81-L84 HydrophobicContact CB-CD1 3.6Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 PolarHBondContact OD1-N 3.16Å; L84-L86 PolarHBondContact O-N 2.79Å
85P56.5Low56.7Low110 Ų11096.3 Ų96.371%0.71455%0.554SS**  trans-66.1122.6173.427.6-32.7000109.2I87P85-I87 PolarHBondContact O-N 3.48Å
86L51.9Low55.1Low137 Ų137102.5 Ų102.572%0.71759%0.587SS**  trans-55.4113.5172.7-144.880.1000108.4L84 S88L84-L86 PolarHBondContact O-N 2.79Å; L86-S88 PolarHBondContact O-N 3.42Å
87I44.3Very low53.4Low155 Ų155105.6 Ų105.680%0.79561%0.61SS**  trans-7188.5168.1-59.7175.3000105.4P85 T89P85-I87 PolarHBondContact O-N 3.48Å; I87-T89 PolarHBondContact O-N 2.04Å
88S35.5Very low51.4Low87 Ų87112.2 Ų112.261%0.60865%0.647SS**  trans-59.598.8174.8-67.80000108.9L86 T90L86-S88 PolarHBondContact O-N 3.42Å; S88-T90 PolarHBondContact O-N 2.03Å
89T37Very low49.5Very low131 Ų131113.2 Ų113.280%0.80467%0.665SS**  trans-64.685.1167.8-11.40000107.6I87 T91I87-T89 PolarHBondContact O-N 2.04Å; T89-T91 VanDerWaalsContact C-N 3.31Å; T89-T91 PolarHBondContact O-N 2.84Å
90T36.9Very low47.8Very low127 Ų127114.3 Ų114.378%0.77967%0.67SS**  trans-69.492.1172.7460000108.5S88 S92S88-T90 PolarHBondContact O-N 2.03Å; T90-S92 PolarHBondContact O-N 3.3Å
91T41Very low46Very low132 Ų132113.1 Ų113.181%0.8167%0.672SS**  trans-54.9108.6166.2-56.10000108.2T89 E93T89-T91 VanDerWaalsContact C-N 3.31Å; T89-T91 PolarHBondContact O-N 2.84Å; T91-E93 PolarHBondContact O-N 3.23Å; T91-E93 VanDerWaalsContact O-N 3.15Å
92S36.7Very low44.4Very low112 Ų112118.3 Ų118.378%0.78371%0.705SS**  trans-74.7101.6-178.855.60000110.3T90T90-S92 PolarHBondContact O-N 3.3Å
93E43Very low42.8Very low167 Ų167123.4 Ų123.478%0.7873%0.731SS**  trans-85.9127174.4-159.8168.4-141.200110.5T91 N95T91-E93 PolarHBondContact O-N 3.23Å; T91-E93 VanDerWaalsContact O-N 3.15Å; E93-N95 PolarHBondContact O-N 3.14Å
94P37.1Very low41Very low111 Ų111131.7 Ų131.772%0.72176%0.764SS**  trans-9288.6-166.635.1-35.1000112.8N96P94-N96 PolarHBondContact O-N 2.99Å
95N41.6Very low39.4Very low152 Ų152131 Ų13181%0.81377%0.766SS**  trans-88.693.3172.8-88.5-29.4000113E93 S97E93-N95 PolarHBondContact O-N 3.14Å; N95-S97 PolarHBondContact O-N 3.03Å
96N36.7Very low38.3Very low151 Ų151135.1 Ų135.181%0.80777%0.773SS**  trans-62.3123.3157.9-70.9-46.2000110.1P94P94-N96 PolarHBondContact O-N 2.99Å
97S40.1Very low37.5Very low116 Ų116136.4 Ų136.481%0.81178%0.775SS**  179.1134.1128.7370000114.8N95N95-S97 PolarHBondContact O-N 3.03Å
98L36.9Very low36.9Very low166 Ų166134.2 Ų134.287%0.86977%0.769SS**  trans58.599.3153.3-120.268.2000120.2
99A33.6Very low37Very low91 Ų91137.8 Ų137.875%0.75278%0.781SS**  trans-74144158.600000111.8
100T38.4Very low37Very low132 Ų132137 Ų13781%0.8178%0.777SS**  trans-122.8105.5159.1-57.40000108.5
101T37.3Very low37Very low107 Ų107136.8 Ų136.866%0.65678%0.777SS**  trans-89.1129.4178.1-48.50000110.2N103T101-N103 WeakPolarHBondContact CG2-OD1 3.48Å
102T39.1Very low36.6Very low134 Ų134138.2 Ų138.282%0.82278%0.775SS**  trans-125.7110.1162.534.40000110.1
103N35.2Very low36.7Very low129 Ų129140.6 Ų140.669%0.6978%0.777SS**  trans-75.9142.4-179.9-64.2-27.4000111.4T101T101-N103 WeakPolarHBondContact CG2-OD1 3.48Å
104F34.2Very low36.2Very low205 Ų205139.5 Ų139.590%0.89978%0.776SS**  trans-139117.1145.3-98.6-77.1000109.5
105P33.6Very low36.2Very low100 Ų100139.7 Ų139.765%0.64978%0.776SS**  trans-105.2131.3178.835.5-27.7000112.1
106F34.5Very low36Very low196 Ų196137.7 Ų137.786%0.8677%0.769SS**  trans-166.2149.5152.3-80.6-73.8000107.5
107H35.1Very low35.9Very low164 Ų164136.5 Ų136.576%0.75977%0.767SS**  cis-167.2140-34.7-149.3-79.1000102.9
108T30.8Very low35.7Very low108 Ų108137.6 Ų137.666%0.66376%0.764SS**  trans-68.6151.1173.5450000111.5
109D37.6Very low35.5Very low163 Ų163137.4 Ų137.487%0.87276%0.763SS**  -152.2138.5125.8-94.3-30.3000112.8
110T37.6Very low35.7Very low115 Ų115136.4 Ų136.471%0.70676%0.761SS**  trans-97.6166.7175.6-23.10000108.6
111P36.7Very low35.7Very low122 Ų122136.6 Ų136.679%0.79276%0.762SS**  -149.4152.389.537.1-18.9000116.2
112Q32.8Very low35.6Very low162 Ų162138.5 Ų138.576%0.75777%0.768SS**  trans-66.8161.7155.7-59173.1-59.400110.1
113I38.2Very low35.3Very low162 Ų162138.4 Ų138.483%0.83176%0.762SS**  -165.3143.3124.5-96.5147.3000109
114N34Very low35.3Very low143 Ų143138.4 Ų138.477%0.76577%0.767SS**  trans-80.4-166.4-178.1-72.3-40.6000112.4
115T35.8Very low35.5Very low115 Ų115135.4 Ų135.471%0.70677%0.766SS**  trans93.894.3156.511.30000118.8
116T36.9Very low36Very low111 Ų111139 Ų13968%0.68178%0.777SS**  66.7134.3125.8520000122.3
117T35.6Very low36.3Very low125 Ų125137.4 Ų137.477%0.76778%0.776SS**  trans64.9140152.2470000116.9
118D35.5Very low36.4Very low139 Ų139137.9 Ų137.974%0.74378%0.779SS**  cis-152.3177.22-146.1-20.9000111.2
119L32.4Very low37.1Very low163 Ų163140.7 Ų140.785%0.85379%0.788SS**  trans-13.4133.4165.5-97.262.8000118.2
120G37.4Very low37.3Very low69 Ų69140.1 Ų140.171%0.71179%0.785SS**  trans166.689.4151.800000120
121V38.6Very low37.3Very low137 Ų137143.3 Ų143.383%0.8379%0.792SS**  57.3102.3129.1-177.50000119.5
122L35.7Very low37.4Very low147 Ų147142.9 Ų142.977%0.7779%0.787SS**  78.6114.7124.2-154.175.9000121.9
123N33.4Very low37.7Very low132 Ų132142.2 Ų142.271%0.70679%0.789SS**  trans29.4143.1143.4-64-7.6000124.2
124T35.8Very low37.6Very low129 Ų129138.4 Ų138.479%0.79178%0.776SS**  trans67107.7142.145.40000120
125T38.5Very low38Very low141 Ų141139 Ų13987%0.86577%0.774SS**  trans-143121.4133.641.20000110.2
126I42.2Very low38.3Very low175 Ų175142.8 Ų142.890%0.89778%0.777SS**PPolyproline II helixtrans-99.8143.6156-70.4177.1000106.2
127I40.8Very low38.4Very low163 Ų163143 Ų14384%0.83678%0.778SS**PPolyproline II helixtrans-71.5142.1-159.1-67.9164.1000113.4
128E38.5Very low38.7Very low175 Ų175142.7 Ų142.782%0.81878%0.781SS**PPolyproline II helixtrans-70154.8177.5-62.4169.1107.200113.8
129I44.8Very low38.9Very low167 Ų167142.2 Ų142.286%0.85678%0.783SS**  trans-130.9100.6152-56.6-179.9000108.7
130N42.7Very low39.5Very low150 Ų150143 Ų14380%0.80278%0.783SS**  trans31.5116.1155.7-65.7-4.6000121
131Q36.2Very low40.2Very low182 Ų182145.4 Ų145.485%0.8578%0.784SS**  trans-61164.1142.1-59172.8-2800109.6
132T39.1Very low40.5Very low114 Ų114142.9 Ų142.970%0.69977%0.77SS**  cis-141.3153.230.450.30000109.2
133D40Very low41Very low148 Ų148140.9 Ų140.979%0.79177%0.769SS**  -168.4175.577.4-128.1-49.6000115.4
134S34.9Very low41.4Very low81 Ų81144.3 Ų144.357%0.56677%0.773SS**  trans-90.2142.4-16350.40000116
135H42.4Very low42.2Very low155 Ų155142.6 Ų142.672%0.71876%0.763SS**  159.9124.7115.5-95.3-87.3000114.9
136Y41.9Very low42.9Very low196 Ų196141.3 Ų141.377%0.76975%0.754SS**  trans62.1112.1140.5-84.9-115.3000123.4
137V39.4Very low43.6Very low114 Ų114141 Ų14169%0.69175%0.749SS**  53.4107.3123.9-173.60000118.7
138S41.6Very low44.3Very low120 Ų120139.4 Ų139.484%0.83974%0.743SS**  -159.1150.2112.5-82.20000112.8
139T39.8Very low45.2Very low129 Ų129137 Ų13779%0.79173%0.734SS**  trans-74.8178.5-178-41.70000111.7
140E46.1Very low46Very low179 Ų179134.6 Ų134.684%0.83672%0.723SS**  trans85.1126172.8-57.6172.4-146.100114.1
141T51.9Low46.8Very low120 Ų120136.6 Ų136.674%0.73672%0.721SS**  cis-152.7160.33.624.20000109.6S143T141-S143 PolarHBondContact O-N 3Å
142P44.5Very low47.9Very low84 Ų84134 Ų13455%0.54571%0.712SS.*  trans-76.7120170.631-31.7000110.8Y144P142-Y144 HydrophobicContact CG-CE2 4.02Å; P142-Y144 VanDerWaalsContact O-CD2 3.23Å; P142-Y144 WeakPolarHBondContact O-CD2 3.25Å; P142-Y144 WeakPolarHBondContact O-CE2 3.4Å; P142-Y144 PolarHBondContact O-N 2.84Å
143S45.7Very low49.3Very low105 Ų105135.4 Ų135.473%0.73471%0.708SS**  trans-89.598.4176.849.50000112.1T141 T145T141-S143 PolarHBondContact O-N 3Å; S143-T145 PolarHBondContact O-N 2.84Å
144Y43.2Very low50.8Low203 Ų203130.4 Ų130.480%0.79669%0.692SS**  trans-69.6101.7174.3-44.2-97.5000111.2P142P142-Y144 HydrophobicContact CG-CE2 4.02Å; P142-Y144 VanDerWaalsContact O-CD2 3.23Å; P142-Y144 WeakPolarHBondContact O-CD2 3.25Å; P142-Y144 WeakPolarHBondContact O-CE2 3.4Å; P142-Y144 PolarHBondContact O-N 2.84Å
145T51.1Low52.7Low94 Ų94134.1 Ų134.158%0.57769%0.693SS**  trans-147.7-1.4177.1530000117.1S143S143-T145 PolarHBondContact O-N 2.84Å
146T54.9Low54.3Low113 Ų113130.4 Ų130.469%0.69368%0.682SS**SBendtrans-95.1-9.9-168.738.70000116.9
147E56.3Low56Low168 Ų168125.2 Ų125.279%0.78567%0.667SS**SBendtrans-87.1-35.6-177.3-64-165.3145.100113.9I149 N150E147-I149 VanDerWaalsContact C-N 3.3Å; E147-I149 PolarHBondContact O-N 2.8Å; E147-N150 PolarHBondContact O-N 2.9Å
148D56Low58.1Low131 Ų131126.6 Ų126.670%0.70166%0.664SS**Hα-helixtrans-64.8-29.1-172.5-66.8-36.8000114.3N150 Y151 L152D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.02Å; D148-Y151 PolarHBondContact O-N 3.27Å; D148-L152 PolarHBondContact O-N 3.29Å
149I57.8Low60.3Low123 Ų123128 Ų12863%0.63165%0.651SS**Hα-helixtrans-66.1-32.5-176.1-52.6176.4000111.2E147E147-I149 VanDerWaalsContact C-N 3.3Å; E147-I149 PolarHBondContact O-N 2.8Å
150N59.9Low62.5Low118 Ų118126.8 Ų126.863%0.63164%0.639SS**Hα-helixtrans-75.2-33.3-179.4-71-40.3000112.3E147 D148 K153 G154E147-N150 PolarHBondContact O-N 2.9Å; D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.02Å; N150-K153 PolarHBondContact O-N 3.15Å; N150-G154 PolarHBondContact O-N 3.03Å
151Y59.4Low64.4Low192 Ų192123.2 Ų123.275%0.75362%0.624SS**Hα-helixtrans-68-40.6-179.4-154.4-98.3000111.9D148 K153 G154 W155D148-Y151 PolarHBondContact O-N 3.27Å; Y151-K153 VanDerWaalsContact C-N 3.32Å; Y151-K153 PolarHBondContact O-N 3.08Å; Y151-G154 PolarHBondContact O-N 3.33Å; Y151-W155 PolarHBondContact O-N 3.32Å; Y151-W155 VanDerWaalsContact O-N 3.14Å
152L60.7Low66.2Low126 Ų126120 Ų12066%0.6661%0.606SS**Hα-helixtrans-65-35.1177.8-156.775.4000112.6D148 T156D148-L152 PolarHBondContact O-N 3.29Å; L152-T156 PolarHBondContact O-N 3.03Å; L152-T156 PolarHBondContact O-OG1 2.89Å
153K67.5Low68.5Low144 Ų144120.8 Ų120.863%0.62660%0.604SS**Hα-helixtrans-72.6-34.4177.8-162.5172.3-176177.70112.6N150 Y151 T156 L157N150-K153 PolarHBondContact O-N 3.15Å; Y151-K153 VanDerWaalsContact C-N 3.32Å; Y151-K153 PolarHBondContact O-N 3.08Å; K153-T156 PolarHBondContact O-OG1 3.02Å; K153-T156 VanDerWaalsContact O-OG1 3.11Å; K153-L157 WeakPolarHBondContact O-CG 3.45Å; K153-L157 PolarHBondContact O-N 3.32Å
154G71.6Confident70.7Confident43 Ų43119.1 Ų119.144%0.44359%0.59SS.*Hα-helixtrans-65.4-45.2172.300000112.7N150 Y151 L157 F158N150-G154 PolarHBondContact O-N 3.03Å; Y151-G154 PolarHBondContact O-N 3.33Å; G154-L157 PolarHBondContact O-N 3.12Å; G154-F158 PolarHBondContact O-N 3.26Å
155W74.5Confident72.9Confident159 Ų159114.1 Ų114.160%0.60258%0.576SS**Hα-helixtrans-67.9-38.9-177-161.280.4000113Y151 F158 W159Y151-W155 PolarHBondContact O-N 3.32Å; Y151-W155 VanDerWaalsContact O-N 3.14Å; W155-F158 PolarHBondContact O-N 3.14Å; W155-W159 AromaticContact CD2-CD1 3.89Å; W155-W159 AromaticContact CD2-NE1 3.94Å; W155-W159 AromaticContact CE2-CD1 3.83Å; W155-W159 AromaticContact CE2-NE1 3.37Å; W155-W159 AromaticContact CH2-NE1 3.77Å; W155-W159 AromaticContact CZ2-CD1 3.93Å; W155-W159 AromaticContact CZ2-NE1 3.29Å; W155-W159 VanDerWaalsContact CZ2-NE1 3.29Å; W155-W159 AromaticContact NE1-NE1 3.78Å; W155-W159 PolarHBondContact O-N 2.97Å
156T77.7Confident74.9Confident77 Ų77115.4 Ų115.447%0.47258%0.578SS.*Hα-helixtrans-65.4-42.2175.244.50000112.4L152 K153 F158 W159 L160L152-T156 PolarHBondContact O-N 3.03Å; L152-T156 PolarHBondContact O-OG1 2.89Å; K153-T156 PolarHBondContact O-OG1 3.02Å; K153-T156 VanDerWaalsContact O-OG1 3.11Å; T156-F158 PolarHBondContact O-N 3.16Å; T156-W159 PolarHBondContact O-N 3.47Å; T156-L160 WeakPolarHBondContact O-CB 3.36Å; T156-L160 PolarHBondContact O-N 2.86Å
157L76.9Confident76.8Confident87 Ų87114.1 Ų114.146%0.45557%0.567SS.*Hα-helixtrans-63.3-39174.4-75.8168.5000112.6K153 G154 W159 L160 I161K153-L157 WeakPolarHBondContact O-CG 3.45Å; K153-L157 PolarHBondContact O-N 3.32Å; G154-L157 PolarHBondContact O-N 3.12Å; L157-W159 VanDerWaalsContact C-N 3.28Å; L157-W159 PolarHBondContact O-N 2.83Å; L157-L160 PolarHBondContact O-N 3.32Å; L157-I161 HydrophobicContact CB-CD1 4.46Å; L157-I161 WeakPolarHBondContact O-CD1 3.45Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.15Å; L157-I161 VanDerWaalsContact O-N 3.08Å
158F83.9Confident78.5Confident143 Ų143109 Ų10963%0.62755%0.547SS*.Hα-helixtrans-59.4-35.7179.4-175.8-96.4000113.3G154 W155 T156 P162G154-F158 PolarHBondContact O-N 3.26Å; W155-F158 PolarHBondContact O-N 3.14Å; T156-F158 PolarHBondContact O-N 3.16Å; F158-P162 WeakPolarHBondContact O-CD 3.43Å; F158-P162 WeakPolarHBondContact O-CG 3.45Å
159W86.8Confident80.2Confident151 Ų151107.3 Ų107.357%0.57254%0.537SS*.Hα-helixtrans-88.4-34175.8-71.6107.2000113.7W155 T156 L157 P162 L163W155-W159 AromaticContact CD2-CD1 3.89Å; W155-W159 AromaticContact CD2-NE1 3.94Å; W155-W159 AromaticContact CE2-CD1 3.83Å; W155-W159 AromaticContact CE2-NE1 3.37Å; W155-W159 AromaticContact CH2-NE1 3.77Å; W155-W159 AromaticContact CZ2-CD1 3.93Å; W155-W159 AromaticContact CZ2-NE1 3.29Å; W155-W159 VanDerWaalsContact CZ2-NE1 3.29Å; W155-W159 AromaticContact NE1-NE1 3.78Å; W155-W159 PolarHBondContact O-N 2.97Å; T156-W159 PolarHBondContact O-N 3.47Å; L157-W159 VanDerWaalsContact C-N 3.28Å; L157-W159 PolarHBondContact O-N 2.83Å; W159-P162 WeakPolarHBondContact O-CD 3.31Å; W159-P162 WeakPolarHBondContact O-CG 3.3Å; W159-L163 WeakPolarHBondContact O-CB 3.25Å; W159-L163 PolarHBondContact O-N 3.26Å
160L87.4Confident81.8Confident102 Ų102104.8 Ų104.853%0.53453%0.528SS..Hα-helixtrans-71.4-37.7-176-171.2140.3000112.4T156 L157 L163 V164T156-L160 WeakPolarHBondContact O-CB 3.36Å; T156-L160 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.32Å; L160-L163 PolarHBondContact O-N 3.45Å; L160-V164 HydrophobicContact CD2-CG2 3.97Å; L160-V164 HydrophobicContact CG-CG2 4.33Å; L160-V164 WeakPolarHBondContact O-CB 3.46Å; L160-V164 VanDerWaalsContact O-CG2 3.29Å; L160-V164 WeakPolarHBondContact O-CG2 3.22Å; L160-V164 PolarHBondContact O-N 3.31Å
161I85.7Confident83.4Confident105 Ų105104.1 Ų104.154%0.53852%0.524SS..Hα-helixtrans-59.8-55177.7-66.9166000112.6L157 L163 V164 L165L157-I161 HydrophobicContact CB-CD1 4.46Å; L157-I161 WeakPolarHBondContact O-CD1 3.45Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.15Å; L157-I161 VanDerWaalsContact O-N 3.08Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 3.48Å; I161-V164 PolarHBondContact O-N 3.45Å; I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 PolarHBondContact O-N 3.36Å
162P90Very high84.9Confident53 Ų53100.1 Ų100.134%0.34452%0.515SS..Hα-helixtrans-65.6-33.3178.224.7-33.3000112.5F158 W159 L165 I166F158-P162 WeakPolarHBondContact O-CD 3.43Å; F158-P162 WeakPolarHBondContact O-CG 3.45Å; W159-P162 WeakPolarHBondContact O-CD 3.31Å; W159-P162 WeakPolarHBondContact O-CG 3.3Å; P162-L165 PolarHBondContact O-N 2.85Å; P162-I166 WeakPolarHBondContact O-CB 3.39Å; P162-I166 WeakPolarHBondContact O-CD1 3.49Å; P162-I166 WeakPolarHBondContact O-CG1 3.4Å; P162-I166 PolarHBondContact O-N 3.2Å
163L91.2Very high86.4Confident99 Ų9999 Ų9952%0.51851%0.509SS..Hα-helixtrans-64.4-45.7175.9-174.2150.9000111.7W159 L160 I161 L165 I166 I167W159-L163 WeakPolarHBondContact O-CB 3.25Å; W159-L163 PolarHBondContact O-N 3.26Å; L160-L163 PolarHBondContact O-N 3.45Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 3.48Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.14Å; L163-I166 PolarHBondContact O-N 2.86Å; L163-I167 HydrophobicContact CD2-CD1 3.62Å; L163-I167 HydrophobicContact CG-CD1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.31Å; L163-I167 PolarHBondContact O-N 3.43Å; L163-I167 VanDerWaalsContact O-N 3.09Å
164V91.4Very high87.6Confident70 Ų7097.5 Ų97.542%0.42451%0.507SS..Hα-helixtrans-62.7-38.9174170.50000111.1L160 I161 I167 T168L160-V164 HydrophobicContact CD2-CG2 3.97Å; L160-V164 HydrophobicContact CG-CG2 4.33Å; L160-V164 WeakPolarHBondContact O-CB 3.46Å; L160-V164 VanDerWaalsContact O-CG2 3.29Å; L160-V164 WeakPolarHBondContact O-CG2 3.22Å; L160-V164 PolarHBondContact O-N 3.31Å; I161-V164 PolarHBondContact O-N 3.45Å; V164-I167 PolarHBondContact O-N 2.98Å; V164-T168 HydrophobicContact CG1-CG2 4.04Å; V164-T168 WeakPolarHBondContact O-CB 3.46Å; V164-T168 VanDerWaalsContact O-CG2 3.29Å; V164-T168 WeakPolarHBondContact O-CG2 3.2Å; V164-T168 PolarHBondContact O-N 3.3Å; V164-T168 PolarHBondContact O-OG1 3.02Å
165L91.2Very high88.6Confident98 Ų98101.3 Ų101.351%0.51351%0.512SS..Hα-helixtrans-67.4-39.8178.3-166.8138.7000112.3I161 P162 L163 I167 T168 I169I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 PolarHBondContact O-N 3.36Å; P162-L165 PolarHBondContact O-N 2.85Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.14Å; L165-I167 VanDerWaalsContact C-N 3.31Å; L165-I167 PolarHBondContact O-N 3.47Å; L165-T168 WeakPolarHBondContact CA-OG1 3.31Å; L165-T168 PolarHBondContact O-OG1 3.32Å; L165-I169 HydrophobicContact CD2-CD1 3.52Å; L165-I169 HydrophobicContact CG-CD1 4.06Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.48Å; L165-I169 PolarHBondContact O-N 3.17Å
166I93.1Very high89.4Confident121 Ų12197.4 Ų97.462%0.62151%0.508SS*.Hα-helixtrans-65.5-30.7174.3-72.4164.9000112.2P162 L163 P170P162-I166 WeakPolarHBondContact O-CB 3.39Å; P162-I166 WeakPolarHBondContact O-CD1 3.49Å; P162-I166 WeakPolarHBondContact O-CG1 3.4Å; P162-I166 PolarHBondContact O-N 3.2Å; L163-I166 PolarHBondContact O-N 2.86Å; I166-P170 WeakPolarHBondContact O-CD 3.25Å; I166-P170 WeakPolarHBondContact O-CG 3.31Å
167I93.1Very high90Very high87 Ų8798.9 Ų98.945%0.44651%0.512SS..Hα-helixtrans-84.3-40.3177.6-67172.9000111.9L163 V164 L165 P170 I171L163-I167 HydrophobicContact CD2-CD1 3.62Å; L163-I167 HydrophobicContact CG-CD1 4.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.31Å; L163-I167 PolarHBondContact O-N 3.43Å; L163-I167 VanDerWaalsContact O-N 3.09Å; V164-I167 PolarHBondContact O-N 2.98Å; L165-I167 VanDerWaalsContact C-N 3.31Å; L165-I167 PolarHBondContact O-N 3.47Å; I167-P170 WeakPolarHBondContact O-CD 3.43Å; I167-P170 WeakPolarHBondContact O-CG 3.38Å; I167-I171 HydrophobicContact CG2-CD1 3.67Å; I167-I171 WeakPolarHBondContact O-CD1 3.42Å; I167-I171 VanDerWaalsContact O-CG1 3.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.38Å; I167-I171 PolarHBondContact O-N 3.1Å
168T92.7Very high90.6Very high61 Ų6197.5 Ų97.537%0.37451%0.507SS..Hα-helixtrans-71.6-37.9-175.747.20000113.4V164 L165 I171 L172V164-T168 HydrophobicContact CG1-CG2 4.04Å; V164-T168 WeakPolarHBondContact O-CB 3.46Å; V164-T168 VanDerWaalsContact O-CG2 3.29Å; V164-T168 WeakPolarHBondContact O-CG2 3.2Å; V164-T168 PolarHBondContact O-N 3.3Å; V164-T168 PolarHBondContact O-OG1 3.02Å; L165-T168 WeakPolarHBondContact CA-OG1 3.31Å; L165-T168 PolarHBondContact O-OG1 3.32Å; T168-I171 PolarHBondContact O-N 3.22Å; T168-L172 WeakPolarHBondContact O-CB 3.42Å; T168-L172 WeakPolarHBondContact O-CG 2.93Å; T168-L172 PolarHBondContact O-N 3.48Å
169I91Very high90.8Very high95 Ų9594.5 Ų94.549%0.48750%0.497SS..Hα-helixtrans-57.1-54177.7-70.7172.3000113.1L165 I171 L172 L173L165-I169 HydrophobicContact CD2-CD1 3.52Å; L165-I169 HydrophobicContact CG-CD1 4.06Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.48Å; L165-I169 PolarHBondContact O-N 3.17Å; I169-I171 VanDerWaalsContact C-N 3.34Å; I169-I171 PolarHBondContact O-N 3.11Å; I169-L172 PolarHBondContact O-N 3.34Å; I169-L173 WeakPolarHBondContact O-CB 3.32Å; I169-L173 PolarHBondContact O-N 2.88Å
170P92.2Very high90.7Very high70 Ų7090.6 Ų90.646%0.45549%0.488SS..Hα-helixtrans-68-30.8179.925.9-34.5000112.8I166 I167 L173 L174I166-P170 WeakPolarHBondContact O-CD 3.25Å; I166-P170 WeakPolarHBondContact O-CG 3.31Å; I167-P170 WeakPolarHBondContact O-CD 3.43Å; I167-P170 WeakPolarHBondContact O-CG 3.38Å; P170-L173 PolarHBondContact O-N 3.16Å; P170-L174 VanDerWaalsContact O-CB 3.25Å; P170-L174 WeakPolarHBondContact O-CB 3.45Å; P170-L174 PolarHBondContact O-N 3.5Å
171I92.8Very high90.5Very high104 Ų10490 Ų9053%0.53348%0.482SS..Hα-helixtrans-65.4-46.6173.9-68.2172.5000110.5I167 T168 I169 L174 F175I167-I171 HydrophobicContact CG2-CD1 3.67Å; I167-I171 WeakPolarHBondContact O-CD1 3.42Å; I167-I171 VanDerWaalsContact O-CG1 3.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.38Å; I167-I171 PolarHBondContact O-N 3.1Å; T168-I171 PolarHBondContact O-N 3.22Å; I169-I171 VanDerWaalsContact C-N 3.34Å; I169-I171 PolarHBondContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 2.84Å; I171-F175 WeakPolarHBondContact O-CB 3.45Å; I171-F175 PolarHBondContact O-N 3.26Å
172L91.5Very high90.2Very high108 Ų10890.5 Ų90.557%0.56548%0.481SS*.Hα-helixtrans-61.3-43.6174.9-78.7163.7000111.6T168 I169 F175 C176T168-L172 WeakPolarHBondContact O-CB 3.42Å; T168-L172 WeakPolarHBondContact O-CG 2.93Å; T168-L172 PolarHBondContact O-N 3.48Å; I169-L172 PolarHBondContact O-N 3.34Å; L172-F175 PolarHBondContact O-N 3.31Å; L172-C176 WeakPolarHBondContact O-CB 3.29Å; L172-C176 PolarHBondContact O-N 3.1Å; L172-C176 PolarHBondContact O-SG 2.84Å; L172-C176 VanDerWaalsContact O-SG 3.33Å
173L92.6Very high89.6Confident102 Ų10292.8 Ų92.853%0.53449%0.487SS..Hα-helixtrans-63.3-43.8177.9-163.6157.4000111.2I169 P170 C176 L177I169-L173 WeakPolarHBondContact O-CB 3.32Å; I169-L173 PolarHBondContact O-N 2.88Å; P170-L173 PolarHBondContact O-N 3.16Å; L173-C176 PolarHBondContact O-N 2.99Å; L173-L177 HydrophobicContact CD2-CD1 3.58Å; L173-L177 HydrophobicContact CD2-CG 3.98Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.43Å
174L92.6Very high88.7Confident113 Ų11396.3 Ų96.359%0.59249%0.493SS*.Hα-helixtrans-62.6-43.3175.1-173.4151.1000111.4P170 I171 C176 L177 V178P170-L174 VanDerWaalsContact O-CB 3.25Å; P170-L174 WeakPolarHBondContact O-CB 3.45Å; P170-L174 PolarHBondContact O-N 3.5Å; I171-L174 PolarHBondContact O-N 2.84Å; L174-C176 PolarHBondContact O-N 2.81Å; L174-L177 PolarHBondContact O-N 3.21Å; L174-V178 HydrophobicContact CD2-CG2 3.97Å; L174-V178 WeakPolarHBondContact O-CB 3.17Å; L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.36Å; L174-V178 PolarHBondContact O-N 3.09Å
175F91.5Very high87.4Confident123 Ų123100.8 Ų100.854%0.53950%0.502SS..Hα-helixtrans-62-43.1175.8-169.4-108.6000111.7I171 L172 L177 V178 L179I171-F175 WeakPolarHBondContact O-CB 3.45Å; I171-F175 PolarHBondContact O-N 3.26Å; L172-F175 PolarHBondContact O-N 3.31Å; F175-L177 PolarHBondContact O-N 3.03Å; F175-V178 PolarHBondContact O-N 3.35Å; F175-L179 HydrophobicContact CD1-CD1 3.8Å; F175-L179 HydrophobicContact CD1-CG 4.36Å; F175-L179 HydrophobicContact CE1-CD1 3.48Å; F175-L179 VanDerWaalsContact CE1-CD1 3.48Å; F175-L179 HydrophobicContact CE1-CG 4.15Å; F175-L179 HydrophobicContact CZ-CD1 4.08Å; F175-L179 HydrophobicContact CZ-CG 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.28Å; F175-L179 WeakPolarHBondContact O-CG 3.39Å; F175-L179 PolarHBondContact O-N 2.92Å
176C91.2Very high85.7Confident77 Ų77103.8 Ų103.852%0.5251%0.511SS..Hα-helixtrans-62.1-39.8172.9-71.10000113L172 L173 L174 N180L172-C176 WeakPolarHBondContact O-CB 3.29Å; L172-C176 PolarHBondContact O-N 3.1Å; L172-C176 PolarHBondContact O-SG 2.84Å; L172-C176 VanDerWaalsContact O-SG 3.33Å; L173-C176 PolarHBondContact O-N 2.99Å; L174-C176 PolarHBondContact O-N 2.81Å; C176-N180 VanDerWaalsContact O-CB 3.25Å; C176-N180 WeakPolarHBondContact O-CB 3.46Å; C176-N180 PolarHBondContact O-N 3.31Å
177L91.3Very high83.8Confident108 Ų108105.6 Ų105.657%0.56552%0.517SS*.Hα-helixtrans-66-42.3175.3-74176.5000112L173 L174 F175 N180 H181L173-L177 HydrophobicContact CD2-CD1 3.58Å; L173-L177 HydrophobicContact CD2-CG 3.98Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.21Å; F175-L177 PolarHBondContact O-N 3.03Å; L177-N180 PolarHBondContact O-N 3.38Å; L177-H181 VanDerWaalsContact O-CB 3.31Å; L177-H181 WeakPolarHBondContact O-CB 3.21Å; L177-H181 PolarHBondContact O-N 2.79Å
178V89.7Confident81.7Confident58 Ų58110.4 Ų110.435%0.35253%0.529SS..Hα-helixtrans-63-46.8176.2168.80000110.5L174 F175 H181 F182L174-V178 HydrophobicContact CD2-CG2 3.97Å; L174-V178 WeakPolarHBondContact O-CB 3.17Å; L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.36Å; L174-V178 PolarHBondContact O-N 3.09Å; F175-V178 PolarHBondContact O-N 3.35Å; V178-H181 PolarHBondContact O-N 2.82Å; V178-F182 HydrophobicContact CG1-CD2 3.63Å; V178-F182 HydrophobicContact CG1-CE2 3.48Å; V178-F182 VanDerWaalsContact CG1-CE2 3.48Å; V178-F182 WeakPolarHBondContact O-CD2 3.43Å; V178-F182 PolarHBondContact O-N 3.22Å
179L87.3Confident79.3Confident80 Ų80110.9 Ų110.942%0.41954%0.539SS..Hα-helixtrans-61.8-43.4175.2-73.5179.4000112.6F175 F182 Q183F175-L179 HydrophobicContact CD1-CD1 3.8Å; F175-L179 HydrophobicContact CD1-CG 4.36Å; F175-L179 HydrophobicContact CE1-CD1 3.48Å; F175-L179 VanDerWaalsContact CE1-CD1 3.48Å; F175-L179 HydrophobicContact CE1-CG 4.15Å; F175-L179 HydrophobicContact CZ-CD1 4.08Å; F175-L179 HydrophobicContact CZ-CG 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.28Å; F175-L179 WeakPolarHBondContact O-CG 3.39Å; F175-L179 PolarHBondContact O-N 2.92Å; L179-F182 PolarHBondContact O-N 3.04Å; L179-Q183 WeakPolarHBondContact O-CB 3.38Å; L179-Q183 WeakPolarHBondContact O-CG 3.37Å; L179-Q183 PolarHBondContact O-N 3.3Å
180N85.2Confident77.1Confident68 Ų68114 Ų11436%0.36455%0.552SS.*Hα-helixtrans-64-40.7176.4-173.2-12000111.2C176 L177 Q183 R184C176-N180 VanDerWaalsContact O-CB 3.25Å; C176-N180 WeakPolarHBondContact O-CB 3.46Å; C176-N180 PolarHBondContact O-N 3.31Å; L177-N180 PolarHBondContact O-N 3.38Å; N180-Q183 PolarHBondContact O-N 3.02Å; N180-R184 WeakPolarHBondContact O-CB 3.29Å; N180-R184 WeakPolarHBondContact O-CG 3.45Å; N180-R184 PolarHBondContact O-N 3.36Å; N180-R184 PolarHBondContact OD1-NE 3.46Å
181H83.3Confident74.9Confident89 Ų89118.9 Ų118.941%0.41257%0.566SS.*Hα-helixtrans-64.2-39.9173.7173.6-105.8000112.2L177 V178 R185L177-H181 VanDerWaalsContact O-CB 3.31Å; L177-H181 WeakPolarHBondContact O-CB 3.21Å; L177-H181 PolarHBondContact O-N 2.79Å; V178-H181 PolarHBondContact O-N 2.82Å; H181-R185 PolarHBondContact CE1-NE 3.23Å; H181-R185 PolarHBondContact CE1-NH2 2.89Å; H181-R185 VanDerWaalsContact CE1-NH2 3.26Å; H181-R185 PolarHBondContact NE2-NE 3.44Å; H181-R185 PolarHBondContact NE2-NH2 2.85Å; H181-R185 VanDerWaalsContact NE2-NH2 3.12Å; H181-R185 WeakPolarHBondContact O-CG 3.38Å; H181-R185 PolarHBondContact O-N 3.49Å
182F79.4Confident72.6Confident117 Ų117120 Ų12051%0.51358%0.58SS.*Hα-helixtrans-66.7-41.3172.5-81.2-62.5000112.7V178 L179 R185 K186V178-F182 HydrophobicContact CG1-CD2 3.63Å; V178-F182 HydrophobicContact CG1-CE2 3.48Å; V178-F182 VanDerWaalsContact CG1-CE2 3.48Å; V178-F182 WeakPolarHBondContact O-CD2 3.43Å; V178-F182 PolarHBondContact O-N 3.22Å; L179-F182 PolarHBondContact O-N 3.04Å; F182-R185 PolarHBondContact O-N 3.28Å; F182-K186 WeakPolarHBondContact O-CG 3Å; F182-K186 PolarHBondContact O-N 2.86Å
183Q77.4Confident70.4Confident101 Ų101121.3 Ų121.347%0.47259%0.587SS.*Hα-helixtrans-61.1-47.2173.6-76.1178.3-1900111.1L179 N180 R185 K186 H187L179-Q183 WeakPolarHBondContact O-CB 3.38Å; L179-Q183 WeakPolarHBondContact O-CG 3.37Å; L179-Q183 PolarHBondContact O-N 3.3Å; N180-Q183 PolarHBondContact O-N 3.02Å; Q183-R185 PolarHBondContact O-N 3.11Å; Q183-K186 PolarHBondContact O-N 3.29Å; Q183-K186 VanDerWaalsContact O-N 3.09Å; Q183-H187 PolarHBondContact O-CD2 3.41Å; Q183-H187 PolarHBondContact O-N 3.29Å
184R72.1Confident67.8Low173 Ų173119.7 Ų119.765%0.65358%0.584SS**Hα-helixtrans-58.3-33174.2-75.9180177.8-140.8-4.6113.2N180N180-R184 WeakPolarHBondContact O-CB 3.29Å; N180-R184 WeakPolarHBondContact O-CG 3.45Å; N180-R184 PolarHBondContact O-N 3.36Å; N180-R184 PolarHBondContact OD1-NE 3.46Å
185R63.3Low65.6Low163 Ų163122.5 Ų122.562%0.61559%0.594SS**Hα-helixtrans-75.4-40.5172.4-73.4-172.3-176.1-150.72112.6H181 F182 Q183 H187 R188H181-R185 PolarHBondContact CE1-NE 3.23Å; H181-R185 PolarHBondContact CE1-NH2 2.89Å; H181-R185 VanDerWaalsContact CE1-NH2 3.26Å; H181-R185 PolarHBondContact NE2-NE 3.44Å; H181-R185 PolarHBondContact NE2-NH2 2.85Å; H181-R185 VanDerWaalsContact NE2-NH2 3.12Å; H181-R185 WeakPolarHBondContact O-CG 3.38Å; H181-R185 PolarHBondContact O-N 3.49Å; F182-R185 PolarHBondContact O-N 3.28Å; Q183-R185 PolarHBondContact O-N 3.11Å; R185-H187 PolarHBondContact O-N 2.87Å; R185-R188 PolarHBondContact O-N 3.04Å
186K57.3Low63.5Low162 Ų162125 Ų12570%0.70461%0.605SS**Hα-helixtrans-60.7-32.3176.2-75.5-170.9175.4-165.10112.4F182 Q183F182-K186 WeakPolarHBondContact O-CG 3Å; F182-K186 PolarHBondContact O-N 2.86Å; Q183-K186 PolarHBondContact O-N 3.29Å; Q183-K186 VanDerWaalsContact O-N 3.09Å
187H52.7Low61.2Low158 Ų158126.5 Ų126.573%0.73160%0.604SS**THydrogen-bonded Turntrans-83.1-0.8174.5-64.9-62.7000115.3Q183 R185Q183-H187 PolarHBondContact O-CD2 3.41Å; Q183-H187 PolarHBondContact O-N 3.29Å; R185-H187 PolarHBondContact O-N 2.87Å
188R48.2Very low59Low189 Ų189125.3 Ų125.371%0.71360%0.597SS**THydrogen-bonded Turntrans-11724.7179.3-75.7-169.9175.6-174.2-0113.6R185 E190R185-R188 PolarHBondContact O-N 3.04Å; R188-E190 PolarHBondContact O-N 3.12Å
189A42.7Very low56.7Low71 Ų71130.8 Ų130.859%0.58762%0.617SS**  trans-77.554.5163.600000110.6F191A189-F191 PolarHBondContact O-N 3.06Å
190E43.9Very low54.5Low159 Ų159132.9 Ų132.974%0.74363%0.628SS**  trans-69.299.2169-71.9170.7-153.800107.4R188 P192R188-E190 PolarHBondContact O-N 3.12Å; E190-P192 WeakPolarHBondContact O-CD 3.21Å
191F46.8Very low52.6Low174 Ų174136.9 Ų136.976%0.76365%0.648SS**  trans-69.6116.6164.7-71.6-86000107.3A189 L193A189-F191 PolarHBondContact O-N 3.06Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 PolarHBondContact O-N 3.26Å
192P44.8Very low50.6Low126 Ų126137.7 Ų137.782%0.81865%0.654SS**  trans-68.197.1171.528.4-32.8000107.7E190 S194E190-P192 WeakPolarHBondContact O-CD 3.21Å; P192-S194 VanDerWaalsContact C-N 3.34Å; P192-S194 PolarHBondContact O-N 3.03Å
193L44.4Very low48.7Very low137 Ų137135.8 Ų135.872%0.71765%0.65SS**  trans-62.8102.6166-88.399.6000107.3F191 E195F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 PolarHBondContact O-N 3.26Å; L193-E195 PolarHBondContact O-N 3.31Å; L193-E195 VanDerWaalsContact O-N 3.08Å
194S39.4Very low47Very low68 Ų68135.6 Ų135.648%0.47666%0.657SS.*  trans-51.9115.1160.4172.80000107.8P192 K196 H197P192-S194 VanDerWaalsContact C-N 3.34Å; P192-S194 PolarHBondContact O-N 3.03Å; S194-K196 PolarHBondContact O-N 3.31Å; S194-H197 PolarHBondContact O-N 3.33Å
195E45.8Very low45.6Very low171 Ų171132.4 Ų132.480%0.79966%0.661SS**G310 helixtrans-44.1-25.9177.8-130.5170.4-174.500113.1L193 H197L193-E195 PolarHBondContact O-N 3.31Å; L193-E195 VanDerWaalsContact O-N 3.08Å; E195-H197 VanDerWaalsContact C-N 3.29Å; E195-H197 PolarHBondContact O-N 3.45Å
196K47Very low44.5Very low176 Ų176128.8 Ų128.877%0.76566%0.658SS**G310 helixtrans-69.5-9.8-179-136175-174179.50116.3S194S194-K196 PolarHBondContact O-N 3.31Å
197H44.1Very low43.3Very low109 Ų109124.9 Ų124.951%0.50565%0.65SS.*G310 helixtrans-1123.1-176.6-71.4-56.2000115.3S194 E195 F199 D200S194-H197 PolarHBondContact O-N 3.33Å; E195-H197 VanDerWaalsContact C-N 3.29Å; E195-H197 PolarHBondContact O-N 3.45Å; H197-F199 VanDerWaalsContact C-N 3.25Å; H197-F199 PolarHBondContact O-N 2.92Å; H197-D200 IonicContact ND1-OD2 3.29Å; H197-D200 PolarHBondContact ND1-OD2 3.26Å
198I44.8Very low42.4Very low83 Ų83121.9 Ų121.943%0.42665%0.647SS.*SBendtrans-69-26.3179.4-63.6174000111.6I202I198-I202 HydrophobicContact CG2-CD1 4.41Å
199F40.3Very low41.8Very low173 Ų173123.7 Ų123.776%0.75965%0.654SS**SBendtrans-89.2-18-179.3-68.5-80.1000115.1H197H197-F199 VanDerWaalsContact C-N 3.25Å; H197-F199 PolarHBondContact O-N 2.92Å
200D42.2Very low41.3Very low124 Ų124123 Ų12366%0.66365%0.653SS**SBendtrans-82.7-13.6-179.3-71-28.1000113.5H197H197-D200 IonicContact ND1-OD2 3.29Å; H197-D200 PolarHBondContact ND1-OD2 3.26Å
201I44.2Very low40.8Very low152 Ų152122.5 Ų122.578%0.77966%0.656SS**SBendtrans-102.2-18179.9-65.8174.4000111.3
202I41.8Very low40.1Very low105 Ų105122.6 Ų122.654%0.53866%0.657SS.*  trans-10779.5177.4-51.9174000107.5I198 P204I198-I202 HydrophobicContact CG2-CD1 4.41Å; I202-P204 WeakPolarHBondContact O-CD 3.39Å
203D39.4Very low39.4Very low78 Ų78121.1 Ų121.142%0.41765%0.649SS.*  trans-89.797.3162.1-175.7-0000108S205 T206D203-S205 PolarHBondContact O-N 3.31Å; D203-S205 WeakPolarHBondContact OD1-CB 3.48Å; D203-S205 PolarHBondContact OD1-N 2.89Å; D203-S205 PolarHBondContact OD1-OG 3.13Å; D203-T206 PolarHBondContact O-N 3.38Å; D203-T206 PolarHBondContact O-OG1 2.9Å; D203-T206 VanDerWaalsContact O-OG1 3.04Å
204P42.7Very low38.9Very low97 Ų97124.4 Ų124.463%0.6365%0.654SS**THydrogen-bonded Turntrans-65.5-8.1-172.929.6-37.2000113.2I202 T206 S207I202-P204 WeakPolarHBondContact O-CD 3.39Å; P204-T206 VanDerWaalsContact C-N 3.32Å; P204-S207 PolarHBondContact O-OG 2.88Å
205S41.2Very low38.8Very low105 Ų105126.4 Ų126.473%0.73467%0.665SS**THydrogen-bonded Turntrans-74.2-20.5170.9-22.40000113.4D203D203-S205 PolarHBondContact O-N 3.31Å; D203-S205 WeakPolarHBondContact OD1-CB 3.48Å; D203-S205 PolarHBondContact OD1-N 2.89Å; D203-S205 PolarHBondContact OD1-OG 3.13Å
206T41.3Very low38Very low88 Ų88129.4 Ų129.454%0.5467%0.671SS.*THydrogen-bonded Turntrans-115.7-1.1-174.566.10000113.3D203 P204 S208D203-T206 PolarHBondContact O-N 3.38Å; D203-T206 PolarHBondContact O-OG1 2.9Å; D203-T206 VanDerWaalsContact O-OG1 3.04Å; P204-T206 VanDerWaalsContact C-N 3.32Å; T206-S208 PolarHBondContact O-N 2.97Å
207S32.4Very low37.3Very low79 Ų79129.8 Ų129.855%0.55267%0.672SS**  trans-79.256179.761.60000113.1P204 W209P204-S207 PolarHBondContact O-OG 2.88Å; S207-W209 PolarHBondContact O-N 3.33Å
208S32.2Very low36.7Very low96 Ų96131.5 Ų131.567%0.67169%0.69SS**  trans-86.631.5170.871.40000112.8T206 G210T206-S208 PolarHBondContact O-N 2.97Å; S208-G210 PolarHBondContact O-N 3.08Å
209W37.3Very low35.9Very low227 Ų227130.6 Ų130.686%0.8670%0.702SS**  trans-86.511.2-177.6-71.186.8000113.5S207S207-W209 PolarHBondContact O-N 3.33Å
210G32.3Very low35.4Very low55 Ų55127.9 Ų127.957%0.56770%0.7SS**SBendtrans-94129.416800000111.2S208S208-G210 PolarHBondContact O-N 3.08Å
211N33Very low34.7Very low149 Ų149128.7 Ų128.780%0.79771%0.711SS**  trans7455168.6-49-27.3000117.6S213N211-S213 PolarHBondContact O-N 3.33Å
212F31.9Very low34.2Very low177 Ų177128.7 Ų128.778%0.77671%0.712SS**  trans-74.655.9149.8-93-80.3000111.5Y214F212-Y214 PolarHBondContact O-N 3.1Å
213S30.4Very low33.4Very low95 Ų95126.8 Ų126.866%0.66472%0.717SS**  trans-78.7100.516355.10000107.9N211 P215N211-S213 PolarHBondContact O-N 3.33Å; S213-P215 WeakPolarHBondContact O-CD 3.28Å; S213-P215 VanDerWaalsContact O-N 3.11Å
214Y33.8Very low33.1Very low206 Ų206132.3 Ų132.381%0.80874%0.741SS**  trans-54.7114.6177.9-106.6-92.5000110.6F212 Y216F212-Y214 PolarHBondContact O-N 3.1Å; Y214-Y216 PolarHBondContact O-N 2.89Å; Y214-Y216 VanDerWaalsContact O-N 3.1Å
215P37.2Very low32.4Very low109 Ų109134.1 Ų134.171%0.70875%0.745SS**  trans-75.9104.4173.130.2-30.1000108.3S213 K217S213-P215 WeakPolarHBondContact O-CD 3.28Å; S213-P215 VanDerWaalsContact O-N 3.11Å; P215-K217 VanDerWaalsContact C-N 3.25Å; P215-K217 PolarHBondContact O-N 3.3Å
216Y27.8Very low31.9Very low235 Ų235132.1 Ų132.192%0.92274%0.741SS**  trans-68.878.5179.1-151.4-84.5000111Y214Y214-Y216 PolarHBondContact O-N 2.89Å; Y214-Y216 VanDerWaalsContact O-N 3.1Å
217K33.5Very low31.3Very low183 Ų183138.2 Ų138.280%0.79676%0.755SS**  trans-142.391.5177.6-94.7-174.9176.3176.50112.4P215 G219P215-K217 VanDerWaalsContact C-N 3.25Å; P215-K217 PolarHBondContact O-N 3.3Å; K217-G219 PolarHBondContact O-N 3.49Å
218T30.2Very low31.2Very low145 Ų145144.9 Ų144.989%0.8977%0.77SS**  trans25.792.6136.356.80000117.2
219G28Very low31.1Very low65 Ų65152.1 Ų152.167%0.6778%0.783SS**  trans163.299166.800000114.8K217K217-G219 PolarHBondContact O-N 3.49Å
220T30.3Very low30.9Very low116 Ų116150 Ų15071%0.71278%0.782SS**  trans45.5116.1159.9520000119I222T220-I222 PolarHBondContact O-N 3.22Å
221P28Very low30.9Very low140 Ų140153.8 Ų153.891%0.90979%0.79SS**  trans-73.398.7174.631.7-33.4000110.7
222I32.6Very low30.6Very low153 Ų153156.9 Ų156.979%0.78579%0.79SS**  trans-90.2113.5168.6-62.2179.7000107.6T220T220-I222 PolarHBondContact O-N 3.22Å
223G26.8Very low30.6Very low64 Ų64154.7 Ų154.766%0.6679%0.787SS**  trans-65.4134.9-167.500000113.9N225G223-N225 PolarHBondContact O-N 3.49Å
224Q31.7Very low30.8Very low195 Ų195156 Ų15691%0.91179%0.791SS**  trans-84.3101.6154.2-71.8-171.6-6.400108.1G226Q224-G226 VanDerWaalsContact C-N 3.27Å; Q224-G226 PolarHBondContact O-N 3.34Å
225N29.2Very low30.7Very low135 Ų135153.3 Ų153.372%0.72279%0.789SS**  trans-61.894163.2-76.4-24.6000108.2G223 Y227G223-N225 PolarHBondContact O-N 3.49Å; N225-Y227 VanDerWaalsContact C-N 3.34Å; N225-Y227 HydrophobicContact CB-CE2 4.45Å; N225-Y227 VanDerWaalsContact O-CD2 3.25Å; N225-Y227 WeakPolarHBondContact O-CD2 3.33Å; N225-Y227 PolarHBondContact O-N 2.88Å
226G29.1Very low30.3Very low62 Ų62156.1 Ų156.164%0.63979%0.79SS**  trans-63.195.6169.600000108.9Q224 Y228Q224-G226 VanDerWaalsContact C-N 3.27Å; Q224-G226 PolarHBondContact O-N 3.34Å; G226-Y228 PolarHBondContact O-N 2.9Å
227Y30.2Very low30.2Very low216 Ų216153 Ų15385%0.84778%0.784SS**  trans-60.199.8-178.3-85.1-95.1000110.2N225 R229N225-Y227 VanDerWaalsContact C-N 3.34Å; N225-Y227 HydrophobicContact CB-CE2 4.45Å; N225-Y227 VanDerWaalsContact O-CD2 3.25Å; N225-Y227 WeakPolarHBondContact O-CD2 3.33Å; N225-Y227 PolarHBondContact O-N 2.88Å; Y227-R229 PolarHBondContact O-N 3.32Å; Y227-R229 VanDerWaalsContact O-N 3.11Å
228Y29.5Very low30.2Very low219 Ų219149.3 Ų149.386%0.85979%0.788SS**  trans-51.1119.7164.7-85.8-95.1000108.4G226 Q230G226-Y228 PolarHBondContact O-N 2.9Å; Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.86Å
229R29.7Very low30.3Very low248 Ų248153.2 Ų153.294%0.93679%0.788SS**  trans-6987.3-174.8-162.3179.2-163.8175.88.4109.5Y227 N231Y227-R229 PolarHBondContact O-N 3.32Å; Y227-R229 VanDerWaalsContact O-N 3.11Å; R229-N231 PolarHBondContact O-N 3.46Å; R229-N231 VanDerWaalsContact O-N 3.11Å
230Q33.3Very low30.6Very low182 Ų182157.8 Ų157.885%0.8580%0.797SS**  trans-55.4118.4-177.3-87-176.4-19.400111Y228Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.86Å
231N31.9Very low30.8Very low136 Ų136158.5 Ų158.573%0.72780%0.801SS**  trans25.7107.1145.2-145.1-9.4000116.9R229 N233R229-N231 PolarHBondContact O-N 3.46Å; R229-N231 VanDerWaalsContact O-N 3.11Å; N231-N233 PolarHBondContact O-N 2.92Å
232R28Very low31.3Very low213 Ų213156.7 Ų156.780%0.80479%0.79SS**  trans-60.3102164-82178.5168.7166.4-3.9109.8
233N31.1Very low31.3Very low131 Ų131156.9 Ų156.970%0.70179%0.792SS**  trans-153.5150151.3-90.6-40000109.8N231N231-N233 PolarHBondContact O-N 2.92Å
234T34Very low31.7Very low122 Ų122162.5 Ų162.575%0.74880%0.798SS**  trans66.2115163490000120.7
235I31.4Very low32Very low151 Ų151158.8 Ų158.877%0.77479%0.789SS**  trans84.596.2135.3-56.9163.6000118.3
236F28.8Very low32.3Very low167 Ų167158.4 Ų158.473%0.73279%0.787SS**  35.2126.8119.6-95.5-102.6000121.3
237E27.6Very low32.5Very low170 Ų170165.6 Ų165.679%0.79480%0.795SS**  trans54.597.3142.8-70.7172.7-179.300119.1
238A32.2Very low32.8Very low105 Ų105162.9 Ų162.987%0.86879%0.793SS**  trans-134.157.5156.100000110.6
239Y32.1Very low33Very low227 Ų227160.4 Ų160.489%0.8979%0.794SS**  trans-89107151.5-91.5-85.4000106.6
240D34.9Very low33.4Very low162 Ų162153.5 Ų153.587%0.86678%0.78SS**  trans-160.7119.6147.2-107.5-24.8000112.3
241T33.8Very low33.6Very low130 Ų130152.2 Ų152.280%0.79878%0.778SS**  trans-146.2155.5162.456.10000106.9
242P38.5Very low33.7Very low103 Ų103154 Ų15467%0.66979%0.787SS**  cis-131.9166.5-38.837.1-23.9000111.9
243N34.4Very low34Very low156 Ų156151.3 Ų151.383%0.83478%0.783SS**  trans68.1145.6157-76.3-41.3000120.5
244K35.2Very low34Very low183 Ų183152.3 Ų152.380%0.79678%0.782SS**  trans78.498157.6-77.8-178.2174.8178.80119.8
245T37.8Very low33.8Very low117 Ų117153.7 Ų153.772%0.71878%0.783SS**  79.7120.3124.751.50000120.3
246D35.1Very low33.9Very low126 Ų126152 Ų15267%0.67478%0.784SS**  trans80.1110.7136.5-67.9-11.2000120.5
247R34Very low34Very low213 Ų213149.3 Ų149.380%0.80479%0.786SS**  trans59.7103.7132-59.6171.6173.1179.6-2.9115.9
248I36.1Very low34.4Very low160 Ų160146.1 Ų146.182%0.82178%0.78SS**  -164.3106.894-90146.4000109.3
249L33.5Very low34.6Very low166 Ų166148.8 Ų148.887%0.86978%0.778SS**  trans-77.2114.6160.9175.987.8000107.6
250T38Very low34.4Very low104 Ų104148.6 Ų148.664%0.63878%0.778SS**  trans176.510814536.60000111.8
251N36.9Very low34.5Very low154 Ų154146.4 Ų146.482%0.82477%0.77SS**  163.972.5124.1-80.5-27.9000111.4H253N251-H253 PolarHBondContact O-N 3.36Å
252L34.5Very low34.4Very low174 Ų174150.4 Ų150.491%0.91178%0.776SS**  trans-56111.2149.7-86.8153.5000109.1
253H33.3Very low34.3Very low156 Ų156152.3 Ų152.372%0.72278%0.78SS**  trans-165135.4136.7-123.4-42000116.5N251N251-H253 PolarHBondContact O-N 3.36Å
254K32.3Very low34Very low153 Ų153154.4 Ų154.467%0.66578%0.782SS**  trans75.292.6140.6-98.6156.7-175.5164.80119.4
255I30.1Very low34.1Very low150 Ų150154.1 Ų154.177%0.76978%0.781SS**  69.6136111.2-71.2163.1000119.2
256S32Very low33.9Very low116 Ų116154.3 Ų154.381%0.81178%0.782SS**  trans91.5110.8159.671.10000119.3
257S31.7Very low33.6Very low110 Ų110156 Ų15677%0.76979%0.791SS**  trans-93.8175.2152.954.10000109.3
258P37.2Very low33.5Very low104 Ų104157.1 Ų157.168%0.67580%0.796SS**  cis-125.3150.3-46.435.2-22.4000111.4
259I35Very low33.2Very low160 Ų160159.6 Ų159.682%0.82180%0.8SS**  trans-125.8119.4175.1-60.9-179.4000111.4T261I259-T261 PolarHBondContact O-N 2.93Å
260Y29.2Very low32.9Very low224 Ų224156.8 Ų156.888%0.87880%0.795SS**  trans-70.4118.5173.8-70.8-95.7000111.5
261T36Very low32.6Very low116 Ų116160 Ų16071%0.71281%0.807SS**  trans-101.8112.3169.640.40000111.5I259 L263I259-T261 PolarHBondContact O-N 2.93Å; T261-L263 PolarHBondContact O-N 3.45Å
262K31.2Very low32.2Very low213 Ų213157.1 Ų157.193%0.92680%0.798SS**  trans-65.5114.4168.9-77.21751751700109.8
263L36.3Very low31.9Very low143 Ų143154.2 Ų154.275%0.74979%0.79SS**  trans-117.6113.5165.4-87.3159.8000110.4T261 F265T261-L263 PolarHBondContact O-N 3.45Å; L263-F265 HydrophobicContact CD2-CE2 4.28Å
264K29.3Very low31.7Very low200 Ų200152.5 Ų152.587%0.8779%0.794SS**  trans-80.6119.5172-71.8176.3174.2178.20109
265F35.7Very low31.7Very low177 Ų177150.8 Ų150.878%0.77680%0.798SS**  trans-136.695.2161.7-88.4-74.9000112.8L263L263-F265 HydrophobicContact CD2-CE2 4.28Å
266T35.3Very low31.7Very low122 Ų122151.6 Ų151.675%0.74880%0.804SS**  trans18.5110.4140.652.90000120.3
267N28.4Very low31.7Very low161 Ų161157.8 Ų157.886%0.86181%0.81SS**  trans38.488.4131.7-105.4-24.9000118.7
268R31.6Very low31.6Very low236 Ų236162.1 Ų162.189%0.89181%0.809SS**  trans-126.4136.5141.2-84.5-174.3170.9-177.7-2.4108.4S270R268-S270 PolarHBondContact O-N 3.38Å
269K28.8Very low31.4Very low212 Ų212164 Ų16492%0.92281%0.813SS**  trans-70.499.4-177.7-71.1179.8175.6179.20110.3
270S28.8Very low31.4Very low108 Ų108162.8 Ų162.876%0.75581%0.807SS**  trans-108.2115.4168.548.80000110.4R268R268-S270 PolarHBondContact O-N 3.38Å
271I31.6Very low31.7Very low172 Ų172155 Ų15588%0.88278%0.781SS**  trans-108.8125.1167.6-54.4167.2000104.9
272S28.2Very low31.9Very low93 Ų93157.8 Ų157.865%0.6578%0.778SS**  cis-147.4140.9-12.5166.30000105.5
273P28.3Very low32.3Very low112 Ų112153 Ų15373%0.72776%0.759SS**PPolyproline II helixtrans-66.5143.9174.929.2-33.3000110.3
274C29Very low32.3Very low120 Ų120153 Ų15381%0.81176%0.755SS**PPolyproline II helixtrans-53.7131.8-176.7-590000111.7
275P32.2Very low32.7Very low117 Ų117146 Ų14676%0.7673%0.731SS**PPolyproline II helixtrans-64.9141.1168.329.4-33.3000108.9R277P275-R277 PolarHBondContact O-N 3.46Å
276N29.5Very low32.6Very low168 Ų168140.2 Ų140.290%0.89872%0.722SS**  trans-47.1104.6-179.3-78-44.2000111.8R278N276-R278 PolarHBondContact O-N 3.2Å
277R31.9Very low32.7Very low246 Ų246138.6 Ų138.693%0.92871%0.712SS**  trans-76.177.7176.2-162.2-179.9-168-166.83.9108.9P275 L279P275-R277 PolarHBondContact O-N 3.46Å; R277-L279 PolarHBondContact O-N 3.37Å
278R29.9Very low33.1Very low201 Ų201139 Ų13976%0.75870%0.702SS**  trans-54.9123.7169.8-172.9174.8179.3176.3-2.5107.6N276 I280N276-R278 PolarHBondContact O-N 3.2Å; R278-I280 PolarHBondContact O-N 3.14Å; R278-I280 VanDerWaalsContact O-N 3.15Å
279L34.5Very low33.4Very low142 Ų142135.6 Ų135.674%0.74370%0.697SS**  trans-61.4115.9170.3-79.5150.4000107.2R277 N281R277-L279 PolarHBondContact O-N 3.37Å; L279-N281 PolarHBondContact O-N 2.86Å
280I34.6Very low33.8Very low136 Ų136133.7 Ų133.770%0.69769%0.689SS**  trans-78.5112.7174.3-62.3173.5000106R278 W282R278-I280 PolarHBondContact O-N 3.14Å; R278-I280 VanDerWaalsContact O-N 3.15Å; I280-W282 PolarHBondContact O-N 3.23Å
281N35.2Very low34.3Very low61 Ų61132.2 Ų132.233%0.32668%0.684SS.*  trans-72.2114.2167-172.72.1000107.5L279 Q283 E284 S285L279-N281 PolarHBondContact O-N 2.86Å; N281-Q283 PolarHBondContact O-N 3.37Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.2Å; N281-Q283 PolarHBondContact OD1-N 2.86Å; N281-Q283 VanDerWaalsContact OD1-N 3.14Å; N281-E284 HydrophobicContact CB-CB 4.31Å; N281-E284 HydrophobicContact CB-CG 3.96Å; N281-E284 WeakPolarHBondContact O-CB 3.41Å; N281-E284 PolarHBondContact O-N 3.35Å; N281-S285 PolarHBondContact O-OG 2.74Å
282W40.5Very low34.6Very low173 Ų173130.9 Ų130.966%0.65568%0.677SS**G310 helixtrans-68.4-18.5179.140-89.9000111.9I280 E284 S285I280-W282 PolarHBondContact O-N 3.23Å; W282-E284 VanDerWaalsContact C-N 3.29Å; W282-E284 PolarHBondContact O-N 3.44Å; W282-S285 VanDerWaalsContact O-CB 3.3Å; W282-S285 WeakPolarHBondContact O-CB 3.19Å; W282-S285 PolarHBondContact O-N 3.32Å; W282-S285 VanDerWaalsContact O-N 3.11Å
283Q39.3Very low35.2Very low113 Ų113131.4 Ų131.453%0.52868%0.678SS.*G310 helixtrans-72.1-18168.4-61.3177.5-34.700113.3E35 N281 S285E35-Q283 PolarHBondContact OE1-NE2 2.82Å; N281-Q283 PolarHBondContact O-N 3.37Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.2Å; N281-Q283 PolarHBondContact OD1-N 2.86Å; N281-Q283 VanDerWaalsContact OD1-N 3.14Å; Q283-S285 VanDerWaalsContact C-N 3.33Å
284E36.2Very low35.7Very low143 Ų143131.4 Ų131.467%0.66868%0.678SS**G310 helixtrans-86.1-4.9168.5-66.7176.4-178.600112.3N281 W282 G286N281-E284 HydrophobicContact CB-CB 4.31Å; N281-E284 HydrophobicContact CB-CG 3.96Å; N281-E284 WeakPolarHBondContact O-CB 3.41Å; N281-E284 PolarHBondContact O-N 3.35Å; W282-E284 VanDerWaalsContact C-N 3.29Å; W282-E284 PolarHBondContact O-N 3.44Å; E284-G286 PolarHBondContact O-N 3.31Å
285S38.1Very low35.9Very low52 Ų52129.4 Ų129.436%0.36467%0.665SS.*SBendtrans-93.182.5-177.8-55.10000110.5N281 W282 Q283 T287N281-S285 PolarHBondContact O-OG 2.74Å; W282-S285 VanDerWaalsContact O-CB 3.3Å; W282-S285 WeakPolarHBondContact O-CB 3.19Å; W282-S285 PolarHBondContact O-N 3.32Å; W282-S285 VanDerWaalsContact O-N 3.11Å; Q283-S285 VanDerWaalsContact C-N 3.33Å; S285-T287 PolarHBondContact O-N 3.09Å
286G32.7Very low36.3Very low57 Ų57129.4 Ų129.459%0.58867%0.665SS**  trans-9.290.4-178.700000116.7E284 Y288E284-G286 PolarHBondContact O-N 3.31Å; G286-Y288 PolarHBondContact O-N 3.46Å
287T37.3Very low36.7Very low88 Ų88128.8 Ų128.854%0.5465%0.654SS.*THydrogen-bonded Turntrans-72.918.1-16541.30000116S285S285-T287 PolarHBondContact O-N 3.09Å
288Y36.3Very low36.9Very low168 Ų168120.1 Ų120.166%0.65963%0.631SS**THydrogen-bonded Turntrans-90.3-18.5176.4-73.3-85.4000114.1G286 R485G286-Y288 PolarHBondContact O-N 3.46Å; Y288-R485 PolarHBondContact OH-NH1 2.98Å; Y288-R485 PolarHBondContact OH-NH2 3.39Å; Y288-R485 VanDerWaalsContact OH-NH2 3.13Å
289E38.4Very low37.2Very low165 Ų165114.5 Ų114.577%0.77163%0.628SS**SBendtrans-92.2-7.8-179.3-64.5-164147.900114.5
290F38.2Very low37.4Very low172 Ų172112.2 Ų112.275%0.75462%0.624SS**SBendtrans-116.6-9.3-172.9-66.5-84.9000114.7I292F290-I292 PolarHBondContact O-N 2.92Å
291A38.6Very low37.6Very low78 Ų78110.6 Ų110.665%0.64563%0.625SS**SBendtrans-87.84.8-173.500000115.4
292I38.3Very low37.4Very low144 Ų144115 Ų11574%0.73865%0.646SS**SBendtrans-111.6107.8-178.2-54.2177.8000109.4F290F290-I292 PolarHBondContact O-N 2.92Å
293P41Very low37.1Very low103 Ų103113 Ų11367%0.66965%0.647SS**PPolyproline II helixtrans-61.9142.1174.225.3-33000110.4S295P293-S295 PolarHBondContact O-N 3.42Å
294P37.8Very low37Very low113 Ų113114 Ų11473%0.73466%0.655SS**PPolyproline II helixtrans-61.7130.2178.926.1-33.7000110.1
295S33.5Very low36.7Very low78 Ų78110.9 Ų110.955%0.54565%0.649SS.*PPolyproline II helixtrans-59.3143.3-176.761.30000111.7P293 K297 S298P293-S295 PolarHBondContact O-N 3.42Å; S295-K297 PolarHBondContact O-N 3.41Å; S295-S298 PolarHBondContact O-N 3.28Å
296P40.1Very low36.6Very low116 Ų116118 Ų11875%0.75367%0.673SS**G310 helixtrans-61.1-13.7-164.718.9-32.1000115.4S298P296-S298 PolarHBondContact O-N 3.08Å
297K37.6Very low36.7Very low155 Ų155121.9 Ų121.967%0.67469%0.686SS**G310 helixtrans-70.4-11.1174.4-68.5-173.9175.4-179.40114.6S295S295-K297 PolarHBondContact O-N 3.41Å
298S36.2Very low36.5Very low64 Ų64123.1 Ų123.145%0.44870%0.696SS.*G310 helixtrans-92-20.2-179.9-51.10000113.9S295 P296S295-S298 PolarHBondContact O-N 3.28Å; P296-S298 PolarHBondContact O-N 3.08Å
299A37.5Very low36.4Very low84 Ų84120.7 Ų120.769%0.69470%0.7SS**THydrogen-bonded Turntrans-91.4-20-179.200000113.4S301A299-S301 PolarHBondContact O-N 3.34Å
300S38Very low36Very low94 Ų94120.2 Ų120.266%0.65770%0.703SS**THydrogen-bonded Turntrans-83.7-0.6-17256.40000115.6
301S37.9Very low35.8Very low102 Ų102123.3 Ų123.371%0.71371%0.711SS**THydrogen-bonded Turntrans-87.7-11.5178.361.90000114A299 N303A299-S301 PolarHBondContact O-N 3.34Å; S301-N303 PolarHBondContact O-N 2.97Å
302M32.7Very low35.5Very low154 Ų154124.5 Ų124.576%0.75972%0.715SS**  trans-86.860.2-179.5-156.8157-172.600111.6I304M302-I304 HydrophobicContact CG-CG1 4.37Å; M302-I304 PolarHBondContact O-N 3.31Å
303N33.4Very low35.2Very low130 Ų130123.4 Ų123.470%0.69572%0.717SS**  trans-74.390.9176.1-168.6-14.2000110.3S301 S305S301-N303 PolarHBondContact O-N 2.97Å; N303-S305 VanDerWaalsContact C-N 3.26Å; N303-S305 PolarHBondContact O-N 3.42Å; N303-S305 PolarHBondContact OD1-OG 3.43Å
304I36.6Very low35Very low134 Ų134128.2 Ų128.269%0.68773%0.728SS**  trans-73.981.4172.5-59.4172.8000108.4M302M302-I304 HydrophobicContact CG-CG1 4.37Å; M302-I304 PolarHBondContact O-N 3.31Å
305S31.1Very low35Very low78 Ų78132.6 Ų132.655%0.54574%0.735SS.*  trans-148.866.5170.156.60000111.8N303N303-S305 VanDerWaalsContact C-N 3.26Å; N303-S305 PolarHBondContact O-N 3.42Å; N303-S305 PolarHBondContact OD1-OG 3.43Å
306K35.6Very low34.9Very low201 Ų201137 Ų13787%0.87475%0.747SS**  trans-158.861.6164-113.7168.2-167.2179.70111.8P308K306-P308 VanDerWaalsContact O-CD 3.3Å; K306-P308 WeakPolarHBondContact O-CD 3.23Å
307T34.8Very low34.5Very low139 Ų139142.4 Ų142.485%0.85375%0.753SS**PPolyproline II helixtrans-62.6116.2154.98.50000107.8
308P32.8Very low34Very low114 Ų114141 Ų14174%0.7475%0.752SS**PPolyproline II helixtrans-73.713916921.1-12.7000108.8K306K306-P308 VanDerWaalsContact O-CD 3.3Å; K306-P308 WeakPolarHBondContact O-CD 3.23Å
309P33.3Very low33.6Very low116 Ų116148.5 Ų148.575%0.75377%0.772SS**PPolyproline II helixtrans-73.6145.9179.730.9-34.7000111.2
310N31.8Very low33.4Very low155 Ų155148.9 Ų148.983%0.82977%0.77SS**  trans4895163.9-75.5-20.5000117.5
311Y34.2Very low33Very low237 Ų237153.4 Ų153.493%0.92978%0.781SS**  trans-126.4119.1140.3-107.7-90.6000110.5
312S30.6Very low32.8Very low103 Ų103155.9 Ų155.972%0.7278%0.784SS**  trans-76.2141.5-176.8-178.80000111.1K314S312-K314 PolarHBondContact O-N 3.38Å
313P33Very low32.7Very low122 Ų122152.5 Ų152.579%0.79277%0.774SS**  trans-74.8120.7-177.729.9-33.8000111.3
314K37.6Very low32.5Very low204 Ų204156.5 Ų156.589%0.88778%0.781SS**  trans-106.4103.4169.4-87.9-172.2175.6178.60111.6S312S312-K314 PolarHBondContact O-N 3.38Å
315K36.5Very low32.2Very low205 Ų205156.5 Ų156.589%0.89178%0.782SS**  trans39.7113.6154.7-71.9-172.2172.1-177.10117.9
316E31.6Very low32.1Very low171 Ų171158.9 Ų158.980%0.79979%0.788SS**  trans-48.5147.5155.3-57.4176.7129.600112.2
317R30.8Very low31.8Very low229 Ų229155.2 Ų155.286%0.86478%0.778SS**  trans-116.3110147.9-93.6-171.9176177.2-0.4108.4Y319R317-Y319 PolarHBondContact O-N 3.49Å
318N28.5Very low31.7Very low124 Ų124155.3 Ų155.366%0.66377%0.774SS**  trans-50.8131.2166.6-84.3-50.6000111.2
319Y28.1Very low31.6Very low222 Ų222154.5 Ų154.587%0.87177%0.771SS**  trans-122.679.4146.2-86.4-76.4000108.2R317R317-Y319 PolarHBondContact O-N 3.49Å
320S32.5Very low31.5Very low92 Ų92154.9 Ų154.964%0.64377%0.771SS**  trans-65.5143.417051.40000111.1
321Q29.9Very low31.5Very low189 Ų189152.5 Ų152.588%0.88377%0.766SS**  trans-39.4129.8169.2-58.1156.9-2.400113.7
322I32.9Very low31.5Very low155 Ų155148.9 Ų148.980%0.79576%0.758SS**  trans-140.6119.2152.2-59.9-177.2000107.6
323P30.2Very low31.6Very low83 Ų83150.5 Ų150.554%0.53976%0.757SS.*  trans-86.4-172.2169.736-33.1000111.2
324Y30.8Very low31.5Very low213 Ų213153.5 Ų153.584%0.83576%0.758SS**  trans75.5145.5-177.8-42.3-66.9000115.2
325N30.3Very low31.2Very low134 Ų134149 Ų14972%0.71775%0.752SS**  cis-159.6152-34.2-157.45.7000108.4
326L29Very low31Very low129 Ų129142.8 Ų142.868%0.67575%0.747SS**  trans40.1127.2156-105.368.5000122.4
327N29.2Very low30.9Very low123 Ų123140.2 Ų140.266%0.65875%0.748SS**  trans89.3133.2130.9-76.1-4.1000122.8
328N32.2Very low30.8Very low142 Ų142135.2 Ų135.276%0.75974%0.744SS**  trans72.5130.2146.2-61.6-4.4000116.5
329S31.5Very low31Very low97 Ų97135.7 Ų135.768%0.67875%0.752SS**  cis-155.6150.48.8-37.60000112.8
330T30Very low30.9Very low124 Ų124132.7 Ų132.776%0.76175%0.749SS**  trans35.9113138.956.20000120.2
331S33Very low30.7Very low104 Ų104136.1 Ų136.173%0.72776%0.755SS**  113.2156.7100.471.60000111.7
332Q34.4Very low30.6Very low162 Ų162133.6 Ų133.676%0.75775%0.746SS**  cis-137.7138.110.6-66.3174.3-12.500109.6
333I31Very low30.4Very low137 Ų137137 Ų13770%0.70375%0.749SS**  73144.790-48.6161.2000115.8
334F32Very low30.3Very low184 Ų184142.6 Ų142.681%0.80776%0.761SS**  trans86.8100.3175.4-62.4-79.2000115.9
335S31.8Very low30.4Very low109 Ų109138.5 Ų138.576%0.76276%0.76SS**  cis99.6125.933.876.60000113.6
336G31.1Very low30.4Very low76 Ų76141.5 Ų141.578%0.78477%0.77SS**  trans172.868.7177.900000116.4
337S30.2Very low30.4Very low117 Ų117143.6 Ų143.682%0.81878%0.777SS**  trans44.1141.3162.5-78.60000123.1
338P29Very low30.4Very low123 Ų123145.5 Ų145.580%0.79979%0.786SS**  trans-86.3146.2178.336-34.3000112.9
339T31.7Very low30.3Very low135 Ų135149.9 Ų149.983%0.82879%0.792SS**  trans-133.9134.8158.5230000110.4H341T339-H341 PolarHBondContact O-N 3.04Å
340I26.4Very low30.1Very low158 Ų158150.3 Ų150.381%0.8180%0.795SS**  trans-74.5116.9-175-63.3163.6000108.9I342I340-I342 HydrophobicContact CG2-CG1 4.41Å
341H28Very low30Very low165 Ų165151 Ų15176%0.76479%0.793SS**  trans-123102.6163.2-103-62.4000110.9T339 R343T339-H341 PolarHBondContact O-N 3.04Å; H341-R343 PolarHBondContact O-N 3.14Å
342I27.3Very low29.6Very low136 Ų136151.4 Ų151.470%0.69780%0.796SS**  trans-65.2116.4161.4-59.8166.7000106.7I340 Y344I340-I342 HydrophobicContact CG2-CG1 4.41Å; I342-Y344 HydrophobicContact CG2-CE2 4.33Å
343R30.1Very low29.4Very low225 Ų225152.3 Ų152.385%0.84980%0.8SS**  trans-138.5126.8165.4-116.3179-156.7-166.66.8110.1H341H341-R343 PolarHBondContact O-N 3.14Å
344Y27.4Very low29.1Very low202 Ų202156.2 Ų156.279%0.79281%0.808SS**  trans-68.4151.9-179.5-70.7-98.6000111.2I342I342-Y344 HydrophobicContact CG2-CE2 4.33Å
345P33Very low29Very low127 Ų127155.5 Ų155.583%0.82581%0.812SS**  trans-65.4153.217328.7-34.6000111.9E347P345-E347 PolarHBondContact O-N 3.41Å
346E30.2Very low28.7Very low196 Ų196158.4 Ų158.492%0.91682%0.816SS**  trans-80.1103.6-166.5-60.817011500113.5
347E29.8Very low28.7Very low174 Ų174162.8 Ų162.881%0.81382%0.819SS**  trans-138.890.6155.7-78.2-163.6-176.400110.1P345P345-E347 PolarHBondContact O-N 3.41Å
348L28.6Very low28.7Very low163 Ų163162.8 Ų162.885%0.85382%0.815SS**  trans-178.689.5156.3-103.9166000111.2
349R29.6Very low28.6Very low233 Ų233163.1 Ų163.188%0.87982%0.817SS**  trans-138.287.8154.6-95.6-171.4174.1152.4-0.2110.5
350S26.9Very low28.5Very low107 Ų107165.8 Ų165.875%0.74882%0.82SS**  trans-67.1128.9152.342.10000108.7
351L28.7Very low28.6Very low137 Ų137167.6 Ų167.672%0.71782%0.822SS**  trans-14299.8167.6-120.4154.1000108.2
352S25.4Very low28.8Very low114 Ų114165.4 Ų165.480%0.79783%0.825SS**  trans-70.8124171.250.80000109.9
353Q30.4Very low28.8Very low180 Ų180164.7 Ų164.784%0.84182%0.823SS**  trans-140.9125.1159.6-106.1168.110.500110.2
354Y24.6Very low28.9Very low220 Ų220161.1 Ų161.186%0.86383%0.825SS**  trans-60.7149.3166.8-86.1-118.5000109.7
355N28.9Very low29Very low168 Ų168158 Ų15890%0.89882%0.818SS**  trans-149133.2136.3-109.6-20.5000111.6
356M25Very low28.8Very low171 Ų171159.6 Ų159.684%0.84282%0.82SS**  trans-71.9132.7175.3-62168171.400109.9
357I31.1Very low28.7Very low167 Ų167155.7 Ų155.786%0.85681%0.809SS**  trans-136.4121.5148.1-57.5-176.6000107.6
358T29.9Very low28.6Very low118 Ų118155.5 Ų155.572%0.72481%0.813SS**PPolyproline II helixtrans-72.3151.7178.737.40000112Q360T358-Q360 PolarHBondContact O-N 3.17Å
359P28.1Very low28.6Very low129 Ų129155.7 Ų155.784%0.83881%0.814SS**PPolyproline II helixtrans-70.5122.617529.2-33.2000110.4
360Q29.7Very low28.7Very low192 Ų192150.1 Ų150.190%0.89781%0.808SS**PPolyproline II helixtrans-82.7125.6176-149.2174.818.600109.4T358T358-Q360 PolarHBondContact O-N 3.17Å
361K28.8Very low28.7Very low196 Ų196152.7 Ų152.785%0.85281%0.814SS**PPolyproline II helixtrans-65.1136168.4-78.3-179.6171-177.20109.8
362S31.3Very low28.5Very low118 Ų118155.8 Ų155.883%0.82582%0.817SS**  trans-127.6135.2147.8550000108.9
363N28.3Very low28.6Very low121 Ų121161.1 Ų161.165%0.64782%0.821SS**  trans-80.2138.3179.6-68.8-20.6000110
364V31.1Very low28.4Very low150 Ų150159.4 Ų159.491%0.90982%0.816SS**  -130.1127.9130-178.50000106.1
365Q29.2Very low28.7Very low137 Ų137156.5 Ų156.564%0.6481%0.811SS**  trans-95.6141.1179-72.5153-101.300109.3
366D29.8Very low28.6Very low160 Ų160155.3 Ų155.386%0.85680%0.804SS**  trans171.782.9152.2-86.7-18.9000104.4
367T27.4Very low28.7Very low114 Ų114150.8 Ų150.870%0.69980%0.802SS**  50.785.568.6-41.80000112.3
368L27.8Very low28.3Very low171 Ų171154.9 Ų154.990%0.89581%0.806SS**  -165.7140.8118.7-96.9161.4000109.8
369L29.1Very low28.2Very low166 Ų166155 Ų15587%0.86981%0.807SS**  trans-82.6164.3-179.4-113.275.4000111.2
370P30.8Very low28Very low116 Ų116155.7 Ų155.775%0.75381%0.809SS**  trans-84.4157.4-172.435.8-35.3000112.4
371D27.3Very low27.8Very low162 Ų162151.8 Ų151.887%0.86680%0.799SS**  trans-135.7141.4159.5-119.5-31000110.7
372Y25Very low27.6Very low202 Ų202148.8 Ų148.879%0.79280%0.797SS**  trans-70.3149.1168.1-88.5-117.2000109
373Y26.9Very low27.3Very low226 Ų226152.6 Ų152.689%0.88680%0.799SS**  -165.4142121.5-106.9-72.9000111.5
374I26.8Very low27.2Very low143 Ų143154.5 Ų154.573%0.73381%0.809SS**  trans-75.1152.8175.2-65.8153000108.8
375Q30.6Very low27.1Very low159 Ų159157.3 Ų157.374%0.74380%0.804SS**  155.8128.7122.4-167.2155.610.400115.1
376D27.5Very low27.1Very low143 Ų143157.1 Ų157.177%0.76580%0.802SS**  trans40.7114.3155.3-55.3-31000121.3
377G27Very low27.3Very low77 Ų77155.4 Ų155.479%0.79479%0.793SS**  trans-169.475.7173.500000115.5T379G377-T379 PolarHBondContact O-N 3.33Å
378R22.8Very low27.4Very low252 Ų252155.1 Ų155.195%0.95179%0.787SS**  trans-88.691.5177.9-176.2-168.3-1681705.5111.7
379T27.8Very low27.5Very low120 Ų120154.1 Ų154.174%0.73678%0.778SS**  trans-147.8127.5169.243.50000114.2G377G377-T379 PolarHBondContact O-N 3.33Å
380T23Very low27.6Very low144 Ų144152.5 Ų152.588%0.88377%0.769SS**  trans-77.4119.3160460000110.5
381T26.3Very low27.6Very low110 Ų110155.1 Ų155.168%0.67577%0.771SS**  trans-149.3119.7168.7470000112.7
382T23.3Very low27.6Very low133 Ų133158.9 Ų158.982%0.81677%0.774SS**  trans-68.8136.8155.834.70000110.4
383F25.5Very low27.8Very low199 Ų199155 Ų15587%0.87377%0.773SS**  trans-152.8129.3157.7-98.7-70.4000113.3
384N25.9Very low27.8Very low161 Ų161153.6 Ų153.686%0.86177%0.771SS**  trans-74.6161.6172.9-74.1-38000112.1
385R29Very low27.9Very low209 Ų209154.7 Ų154.779%0.78978%0.778SS**  trans-146.6106.4151.9-159.7167.7-166.5178.42.5115.1
386H30.1Very low27.8Very low132 Ų132151.4 Ų151.461%0.61177%0.773SS**  trans62.5133.9150.4-53.1-14.1000117.5
387D32.6Very low28Very low125 Ų125151.1 Ų151.167%0.66877%0.771SS**  cis-166.6177.42.2-111.95000108.1
388N30.4Very low28.2Very low107 Ų107154.5 Ų154.557%0.57277%0.771SS**  cis-154.8177.611-136.5-35.1000114.9
389H30.3Very low28.7Very low151 Ų151148.7 Ų148.770%0.69976%0.759SS**  trans37.9122150.9-72.5-53.2000124.1
390L31.1Very low28.8Very low131 Ų131149.7 Ų149.769%0.68676%0.759SS**  trans91.197.8139.6-67.4162.4000121.1
391Q31.1Very low29.2Very low171 Ų171151.3 Ų151.380%0.79976%0.757SS**  trans51.9110.2130.3-62.5170.3-6.800118.8
392R25.9Very low29.2Very low242 Ų242152.8 Ų152.891%0.91376%0.759SS**  48.7145.579-87.4-166.8-177.3-173.43.6115.3
393P29.8Very low29.4Very low119 Ų119156.5 Ų156.577%0.77376%0.76SS**  cis-137.4-167.2-0.741.1-21000115.3
394K27Very low29.4Very low198 Ų198155 Ų15586%0.86176%0.756SS**  trans-58139.6172.9-59.9172173.1-177.60114.6
395L29.3Very low29.5Very low165 Ų165154.1 Ų154.186%0.86476%0.756SS**  trans-162125.9138-125.367.3000105.6
396S28.6Very low29.4Very low91 Ų91152.1 Ų152.164%0.63676%0.756SS**  60.1119.488-134.60000114.9
397D30.6Very low29.2Very low137 Ų137150.5 Ų150.573%0.73377%0.766SS**  trans65.7138.5155.6-53.5-56.8000121.8
398D31.5Very low29Very low148 Ų148151.6 Ų151.679%0.79177%0.771SS**  trans64.6147.9155.6-78.2-30.9000122.8
399D33.9Very low28.8Very low129 Ų129153.9 Ų153.969%0.6978%0.781SS**  trans59.4108157.7-70.3-35.8000120.8Q401D399-Q401 PolarHBondContact O-N 3.32Å
400N28.7Very low28.7Very low141 Ų141152.8 Ų152.875%0.75478%0.781SS**  24.695.6112.2-72.3-42.1000116.4
401Q32.5Very low28.6Very low179 Ų179151.3 Ų151.384%0.83678%0.78SS**  -166.8155.1117.4-106.415572.500115D399D399-Q401 PolarHBondContact O-N 3.32Å
402I25.8Very low28.5Very low141 Ų141149.8 Ų149.872%0.72378%0.777SS**  trans-72.9137.4-177.6-63.6153.7000110.2
403Y28.4Very low28.7Very low211 Ų211145.8 Ų145.883%0.82777%0.774SS**  trans-133.1114.2150.4-80.3-80000110.2
404Q24.8Very low28.9Very low167 Ų167146.6 Ų146.678%0.7877%0.772SS**  trans-74.2145.4159.6-69.7171.5-75.200108.7
405T28.1Very low29.2Very low142 Ų142144.5 Ų144.587%0.87177%0.765SS**  trans-133.6115.7159.82.40000108.7
406E26.1Very low29.4Very low167 Ų167143.9 Ų143.978%0.7876%0.756SS**  trans-73.8147174.9-60.5174143.900110
407A27.4Very low29.7Very low99 Ų99146 Ų14682%0.81876%0.76SS**  trans-116101.4164.400000108.1
408L26.6Very low29.8Very low148 Ų148147.1 Ų147.178%0.77577%0.766SS**  trans-66.9134.3174.7-71.684.7000109.9
409I28.2Very low29.8Very low155 Ų155148.3 Ų148.380%0.79577%0.767SS**  trans-96.5110.8155.6-64.1178.4000106.2C411I409-C411 PolarHBondContact O-N 3.11Å
410N27.5Very low29.5Very low128 Ų128149.2 Ų149.268%0.68477%0.771SS**  trans-77.3112174.9-169.464.9000108.7D412N410-D412 PolarHBondContact ND2-OD1 3.42Å
411C28.1Very low29.7Very low100 Ų100148.2 Ų148.268%0.67677%0.771SS**  trans-94121.9165.5-68.20000107.8I409 D413I409-C411 PolarHBondContact O-N 3.11Å; C411-D413 PolarHBondContact O-N 2.92Å
412D30Very low29.6Very low139 Ų139148.4 Ų148.474%0.74377%0.769SS**  trans-69.5103.6176.2-81.1-37000110.4N410 N414N410-D412 PolarHBondContact ND2-OD1 3.42Å; D412-N414 PolarHBondContact O-N 3.21Å
413D30Very low29.6Very low158 Ų158149.4 Ų149.485%0.84578%0.776SS**  trans-69.991.2162.6-78.7-34000109.1C411C411-D413 PolarHBondContact O-N 2.92Å
414N34.7Very low29.7Very low135 Ų135148.1 Ų148.172%0.72278%0.778SS**  trans-141.396.9162.1-90.7-50.9000112.5D412D412-N414 PolarHBondContact O-N 3.21Å
415E33.1Very low29.8Very low155 Ų155148.1 Ų148.172%0.72478%0.781SS**  70.7135.9127.3-117-177.4-179.700120.5
416F33.6Very low29.7Very low152 Ų152145.6 Ų145.667%0.66777%0.769SS**  trans70.595.2166.9-63.6-72.6000119.8
417N33.2Very low29.7Very low134 Ų134143.1 Ų143.172%0.71777%0.771SS**  40.599.4116.3-55.7-7.5000117.6
418N33.5Very low29.6Very low161 Ų161144.6 Ų144.686%0.86176%0.763SS**  -167.5164.7110.7-100.1-34.5000113
419E32Very low29.6Very low173 Ų173143.9 Ų143.981%0.80877%0.765SS**  trans-77.5158.9-169-60.5165.5130.400114.2
420D28Very low29.5Very low148 Ų148144.8 Ų144.879%0.79177%0.768SS**  trans74.2138.5159.6-68.2-14.9000121.8
421T31.3Very low29.5Very low120 Ų120147.2 Ų147.274%0.73678%0.775SS**  trans71.5121.8170.567.40000116.5
422F30.8Very low29.5Very low184 Ų184148.3 Ų148.381%0.80778%0.781SS**  -161.1150.755.3-105-87.4000113.6Q424F422-Q424 PolarHBondContact O-N 3.42Å
423D26.8Very low29.5Very low162 Ų162147.8 Ų147.887%0.86678%0.783SS**  trans-68.8119.8168.2-61.7-67.7000112.3
424Q29.7Very low29.3Very low184 Ų184146.7 Ų146.786%0.8678%0.782SS**  trans-144.290.1164.5-72.4-164.77.700112.4F422F422-Q424 PolarHBondContact O-N 3.42Å
425I28Very low29.1Very low166 Ų166147.4 Ų147.485%0.85179%0.785SS**  trans-142.6128.2166.7-58.3-179.8000104.7
426S26Very low28.9Very low89 Ų89149 Ų14962%0.62279%0.792SS**  cis-158134.23.942.70000110.2
427S25.3Very low28.8Very low116 Ų116150.5 Ų150.581%0.81180%0.801SS**  trans-93.9102.4160.356.10000109.5T429S427-T429 PolarHBondContact O-N 3.48Å
428I25.6Very low28.8Very low129 Ų129149.7 Ų149.766%0.66280%0.803SS**  trans-88.8102.5174-67.4175000109M430I428-M430 HydrophobicContact CG2-CE 4.17Å; I428-M430 HydrophobicContact CG2-CG 3.92Å
429T25.6Very low28.6Very low134 Ų134149.3 Ų149.382%0.82280%0.8SS**  trans-86.1107.1163.610.60000108.9S427S427-T429 PolarHBondContact O-N 3.48Å
430M26.4Very low28.7Very low174 Ų174146.2 Ų146.286%0.85780%0.797SS**  trans-87.9108.3169-77.1-178177.800110.2I428I428-M430 HydrophobicContact CG2-CE 4.17Å; I428-M430 HydrophobicContact CG2-CG 3.92Å
431Q27.9Very low28.7Very low178 Ų178146.4 Ų146.483%0.83280%0.798SS**  trans-74.9148.6161-82.8175.2-6000110.1T433Q431-T433 PolarHBondContact O-N 3.32Å; Q431-T433 VanDerWaalsContact O-N 3.11Å
432P28.2Very low28.7Very low124 Ų124147.3 Ų147.381%0.80580%0.803SS**  trans-73104-179.728.8-34000111.5T434P432-T434 PolarHBondContact O-N 3.34Å
433T28.8Very low28.4Very low127 Ų127143 Ų14378%0.77980%0.796SS**  trans-69.9124175.6-43.70000111.1Q431Q431-T433 PolarHBondContact O-N 3.32Å; Q431-T433 VanDerWaalsContact O-N 3.11Å
434T27.2Very low28.6Very low135 Ų135144.4 Ų144.483%0.82880%0.795SS**  trans-79.5124.5172.8-35.60000109.7P432P432-T434 PolarHBondContact O-N 3.34Å
435I30.4Very low28.4Very low151 Ų151142.3 Ų142.377%0.77479%0.789SS**  trans-110.1116.9175.2-60.9178.4000109
436Q29.3Very low28.5Very low188 Ų188143 Ų14388%0.87979%0.789SS**PPolyproline II helixtrans-71.5134.6172.4-72.1167.9-53.900110.4
437Q31.5Very low28.5Very low184 Ų184144.2 Ų144.286%0.8680%0.795SS**PPolyproline II helixtrans-79.4146.1168.9-75.9-176.6-32.600111
438P33Very low28.6Very low117 Ų117148 Ų14876%0.7680%0.797SS**PPolyproline II helixtrans-72.8137.8178-12.427.8000112.3S440P438-S440 PolarHBondContact O-N 3.23Å
439I28.8Very low28.6Very low152 Ų152149.4 Ų149.478%0.77981%0.806SS**PPolyproline II helixtrans-66.1127.4169.7-62.6166.5000109.1
440S34Very low28.7Very low108 Ų108147.1 Ų147.176%0.75580%0.8SS**  trans-129.4104.2166.9-660000109.6P438 V442P438-S440 PolarHBondContact O-N 3.23Å; S440-V442 PolarHBondContact O-N 3.33Å
441N27.8Very low28.5Very low152 Ų152148.8 Ų148.881%0.81380%0.803SS**  trans-69.6106.6178.5-73.6-26.2000111.3
442V31.3Very low28.7Very low140 Ų140147.7 Ų147.785%0.84880%0.801SS**  trans-139.896.5154.3-172.60000109.7S440S440-V442 PolarHBondContact O-N 3.33Å
443S25.3Very low28.7Very low93 Ų93149.1 Ų149.165%0.6580%0.802SS**  trans-77.3135.6161.954.80000109.9
444F29.9Very low28.8Very low191 Ų191149 Ų14984%0.83881%0.805SS**  -170.7136.3123.1-107.3-71.1000112.3
445N27.2Very low28.8Very low140 Ų140151 Ų15175%0.74981%0.805SS**  trans-52.9138.4-176.9-52-44000115.2
446Q28.1Very low28.7Very low182 Ų182148.4 Ų148.485%0.8580%0.8SS**  -165.5122129.6-111.9170.73.600111.9
447P26.9Very low28.7Very low114 Ų114147.5 Ų147.574%0.7480%0.796SS**  trans-95143.3169.635.6-30000110.8
448F27.8Very low28.6Very low196 Ų196146.8 Ų146.886%0.8679%0.793SS**  trans-142.9103.1165.5-114.1-84000112.5
449N25.9Very low28.4Very low158 Ų158149 Ų14985%0.84579%0.793SS**  trans-76.6146.5152-69.1-30.2000108.4
450A27Very low28.5Very low85 Ų85148.3 Ų148.370%0.70279%0.789SS**  trans-175.5115.413700000111.6
451F23.2Very low28.4Very low210 Ų210149.2 Ų149.292%0.92179%0.786SS**  trans-70.7149.2141.3-72.1-104.9000108.1
452I32.2Very low28.6Very low155 Ų155149.7 Ų149.780%0.79578%0.783SS**  trans-164.4130.3150.8-97.1141.1000108.5
453D26.4Very low28.7Very low153 Ų153150 Ų15082%0.81878%0.78SS**  trans-70.9147.9168.4-77.5-62.2000111.9
454C31Very low28.9Very low124 Ų124152.1 Ų152.184%0.83878%0.783SS**  trans-141.6100.5152.1-860000110.1
455E27.9Very low29Very low179 Ų179150.7 Ų150.784%0.83678%0.781SS**  trans-59.8144.6156.9-65.1179.3110.800110.3
456S28.5Very low29.3Very low96 Ų96153.5 Ų153.567%0.67178%0.783SS**  151.9153.3115.559.90000114
457Q30.1Very low29.5Very low168 Ų168152.9 Ų152.979%0.78578%0.78SS**  trans6694.8162.9-68.7151.314.900116.4
458Q28Very low29.8Very low170 Ų170152.3 Ų152.379%0.79478%0.778SS**  78.2141.868.7-76.6-167.8-24.900115.7
459Q28.6Very low29.9Very low162 Ų162150.4 Ų150.476%0.75777%0.772SS**  trans92.3135.2151.4-84.9175.912.400120.6
460I32.1Very low30.2Very low138 Ų138153.7 Ų153.771%0.70877%0.774SS**  trans76.5124.9153.5-62.9155.6000115.8
461D32.3Very low30.4Very low128 Ų128155.4 Ų155.468%0.68477%0.772SS**  cis-163.6152.8-12.4-116.7-28.3000111.8
462Q30.3Very low30.8Very low162 Ų162152.1 Ų152.176%0.75776%0.764SS**  trans45.9113.4132.4-162.9174.775.300120.7
463L33.9Very low30.7Very low147 Ų147157 Ų15777%0.7777%0.772SS**  -170.3135.899.5-157.366000112.7
464D29.6Very low30.9Very low137 Ų137155.8 Ų155.873%0.73377%0.771SS**  trans-64164175.4-63.1-79.8000114.7
465M32.8Very low30.8Very low160 Ų160158 Ų15879%0.78877%0.773SS**  -175.3120.7110.7-96-172.3-70.300114.9
466Y33.1Very low30.9Very low199 Ų199156.8 Ų156.878%0.7877%0.772SS**  trans68.3103.6148.7-77.4-87.4000123.4
467H32Very low31Very low170 Ų170160.5 Ų160.579%0.78778%0.776SS**  18135.2123.1-68.7-52.8000118.9
468S33.5Very low30.9Very low102 Ų102158.8 Ų158.871%0.71378%0.778SS**  -164.8139.562.645.60000116
469Q28.9Very low30.9Very low155 Ų155157.2 Ų157.272%0.72478%0.78SS**  trans29.8121.7136.9-65.5173.7-31.400120.5
470Y31.9Very low30.9Very low228 Ų228156.5 Ų156.589%0.89479%0.787SS**  -157.5154.899.6-118.2-88.9000110.8
471N33.1Very low30.7Very low121 Ų121154.2 Ų154.265%0.64779%0.788SS**  trans-97162.5-148.4-61.3-15.1000117.5
472D29.9Very low30.5Very low141 Ų141160 Ų16075%0.75480%0.801SS**  trans-27.7131.6158.3-61.3-60.9000116.4
473W31.3Very low30.7Very low257 Ų257159.6 Ų159.697%0.97380%0.802SS**  trans-131.888.8153.5-8065.6000109.1
474T30.1Very low30.4Very low128 Ų128158 Ų15879%0.78580%0.8SS**  trans-81.2134.2168.4330000110.9
475L29.9Very low30.4Very low170 Ų170161.1 Ų161.189%0.8980%0.802SS**  trans38.199.4148.8-162.482.3000118.3
476D30Very low30.5Very low154 Ų154164.9 Ų164.982%0.82482%0.822SS**  trans-146.5165140.3-141.8-16.5000113.6
477K29.6Very low30.3Very low173 Ų173163.2 Ų163.275%0.75282%0.824SS**  trans-77.9158.9-163.3-68.1159.1-179.5163.80113.6
478T27.9Very low30.3Very low133 Ų133162.8 Ų162.882%0.81683%0.826SS**  trans55.289.8158.450.30000116.8
479T28.8Very low30.1Very low136 Ų136166.2 Ų166.283%0.83483%0.833SS**  trans-153.2122.6140.5-5.50000112.8A481T479-A481 PolarHBondContact O-N 3.42Å; T479-A481 VanDerWaalsContact O-N 3.14Å
480T27.1Very low30.1Very low148 Ų148166.8 Ų166.891%0.90884%0.839SS**  trans-59.6107.6164.734.20000110.8
481A29.6Very low30Very low89 Ų89163 Ų16374%0.73684%0.836SS**  trans-122.899.6167.700000109.4T479 I483T479-A481 PolarHBondContact O-N 3.42Å; T479-A481 VanDerWaalsContact O-N 3.14Å; A481-I483 PolarHBondContact O-N 3.22Å
482R28Very low29.8Very low251 Ų251165.8 Ų165.895%0.94785%0.848SS**  trans-64.9114.7169.5-75.7178.5174.4174.6-2.2108.7
483I33.1Very low29.8Very low153 Ų153167.6 Ų167.679%0.78586%0.855SS**PPolyproline II helixtrans-63.6130.7160.6-61.3174.8000107A481 R485A481-I483 PolarHBondContact O-N 3.22Å; I483-R485 PolarHBondContact O-N 3.48Å
484P28.2Very low29.7Very low112 Ų112160.7 Ų160.773%0.72785%0.846SS**PPolyproline II helixtrans-67.2125.5178.627.6-33.4000109.6
485R29Very low29.7Very low204 Ų204163.4 Ų163.477%0.7785%0.851SS**PPolyproline II helixtrans-68.9130.7160.5-71.3-177.1175.9-169.6-5.2107.8Y288 I483Y288-R485 PolarHBondContact OH-NH1 2.98Å; Y288-R485 PolarHBondContact OH-NH2 3.39Å; Y288-R485 VanDerWaalsContact OH-NH2 3.13Å; I483-R485 PolarHBondContact O-N 3.48Å
486I35.2Very low29.7Very low238 Ų238162.8 Ų162.8100%1.22185%0.847SS**  trans-72.30162.6-59.2174.8000107.9

Retrieved 486 of 486 residues in 501.4 ms (Link to these results)