ACO12_RAT Loading...

Acetyl-coenzyme A thioesterase

Catalyzes the hydrolysis of acyl-CoAs into free fatty acids and coenzyme A (CoASH), regulating their respective intracellular levels. Preferentially hydrolyzes acetyl-CoA.

AlphaFold DB , UniProt , Accession Q99NB7, Species RAT (Rattus norvegicus, Rat), Gene Acot12, Length 556 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.9Very low65.7Low243 Ų24390.1 Ų90.1100%1.19752%0.516SS*.  01180-79.6177-172.300107.3
2E36.2Very low68.3Low179 Ų17985.3 Ų85.384%0.83649%0.486SS*.  trans-55.4134.4166.3-76.9-179.6149.500108.5T4E2-T4 PolarHBondContact O-N 2.67Å
3P49.7Very low70.5Confident71 Ų7183.9 Ų83.946%0.46149%0.485SS..  trans-67.9102.5171.827.8-29.4000107.2V5 R75P3-V5 PolarHBondContact O-N 2.68Å; P3-R75 VanDerWaalsContact CB-NH2 3.31Å
4T54.2Low72.4Confident134 Ų13482.6 Ų82.682%0.82247%0.472SS*.  trans-56.7113.3168.636.50000107.8E2 A6E2-T4 PolarHBondContact O-N 2.67Å; T4-A6 PolarHBondContact O-N 2.7Å
5V63.1Low74.1Confident72 Ų7279.3 Ų79.344%0.43646%0.459SS..PPolyproline II helixtrans-67.1118.7176.5179.40000106.9P3 E9 L11P3-V5 PolarHBondContact O-N 2.68Å; V5-E9 HydrophobicContact CG1-CB 3.64Å; V5-E9 WeakPolarHBondContact CG1-O 3.28Å; V5-L11 HydrophobicContact CG2-CB 4.25Å; V5-L11 HydrophobicContact CG2-CD2 4.41Å
6A68.4Low75.5Confident29 Ų2974.4 Ų74.424%0.2443%0.431CS..PPolyproline II helixtrans-63.5150.6-179.700000110.1T4 G8 E9T4-A6 PolarHBondContact O-N 2.7Å; A6-G8 PolarHBondContact O-N 3.34Å; A6-E9 HydrophobicContact CB-CG 4.01Å; A6-E9 PolarHBondContact N-OE2 3.28Å; A6-E9 WeakPolarHBondContact O-CB 3.46Å; A6-E9 PolarHBondContact O-N 2.84Å
7P67.2Low76.8Confident104 Ų10475.9 Ų75.968%0.67543%0.433SS*.THydrogen-bonded Turntrans-55.6125.6175.620.3-29.7000110.5
8G72.6Confident77.9Confident34 Ų3476.7 Ų76.735%0.35144%0.441SS..THydrogen-bonded Turntrans93.7-7.9-17600000115.6A6A6-G8 PolarHBondContact O-N 3.34Å
9E85.9Confident78.9Confident37 Ų3777.7 Ų77.717%0.17346%0.46CS..EExtended strand (participates in β ladder)trans-86151.5173.8-66-178-177.700111.6V5 A6 K46 A76 K77V5-E9 HydrophobicContact CG1-CB 3.64Å; V5-E9 WeakPolarHBondContact CG1-O 3.28Å; A6-E9 HydrophobicContact CB-CG 4.01Å; A6-E9 PolarHBondContact N-OE2 3.28Å; A6-E9 WeakPolarHBondContact O-CB 3.46Å; A6-E9 PolarHBondContact O-N 2.84Å; E9-K46 PolarHBondContact O-NZ 2.88Å; E9-A76 WeakPolarHBondContact CA-O 3.31Å; E9-K77 HydrophobicContact CG-CB 3.93Å; E9-K77 HydrophobicContact CG-CD 3.94Å; E9-K77 HydrophobicContact CG-CG 3.77Å; E9-K77 WeakPolarHBondContact OE1-CD 3.17Å; E9-K77 IonicContact OE1-NZ 2.89Å; E9-K77 PolarHBondContact OE1-NZ 2.9Å
10V95.7Very high79.8Confident23 Ų2375.9 Ų75.914%0.13945%0.446CS..EExtended strand (participates in β ladder)trans-124.9133.7170.6177.70000108.4T39 L42 A43 K46 A76V10-T39 HydrophobicContact CB-CG2 4.39Å; V10-T39 HydrophobicContact CG1-CG2 3.96Å; V10-L42 HydrophobicContact CG1-CB 4.04Å; V10-L42 HydrophobicContact CG1-CD1 4.45Å; V10-L42 HydrophobicContact CG2-CB 4.36Å; V10-A43 HydrophobicContact CB-CB 4.18Å; V10-A43 HydrophobicContact CG2-CB 3.89Å; V10-K46 HydrophobicContact CG2-CD 3.97Å; V10-A76 PolarHBondContact N-O 2.83Å; V10-A76 PolarHBondContact O-N 3.06Å
11L97Very high80.5Confident65 Ų6573.4 Ų73.434%0.3443%0.434SS..EExtended strand (participates in β ladder)trans-117.3127.8179-174.677000108.7V5 T73 I74 R75V5-L11 HydrophobicContact CG2-CB 4.25Å; V5-L11 HydrophobicContact CG2-CD2 4.41Å; L11-T73 HydrophobicContact CD1-CG2 3.47Å; L11-T73 VanDerWaalsContact CD1-CG2 3.47Å; L11-T73 HydrophobicContact CG-CG2 4.34Å; L11-I74 WeakPolarHBondContact CA-O 3.34Å; L11-R75 HydrophobicContact CD1-CG 3.3Å
12M97.3Very high83.3Confident33 Ų3364.6 Ų64.616%0.16339%0.392CS..EExtended strand (participates in β ladder)trans-121.5131.2169.3-175.8-177.5-64.400109Q14 W35 T38 T39 T73 I74M12-Q14 HydrophobicContact CG-CG 4.18Å; M12-Q14 HydrophobicContact SD-CG 4.21Å; M12-W35 HydrophobicContact SD-CB 4.21Å; M12-W35 HydrophobicContact SD-CG 4.4Å; M12-T38 HydrophobicContact CE-CG2 3.81Å; M12-T39 HydrophobicContact CB-CG2 4.02Å; M12-T39 WeakPolarHBondContact CB-OG1 3.35Å; M12-T39 WeakPolarHBondContact CE-OG1 3.34Å; M12-T73 WeakPolarHBondContact O-CA 3.45Å; M12-I74 HydrophobicContact CB-CB 4.49Å; M12-I74 PolarHBondContact N-O 3.28Å; M12-I74 PolarHBondContact O-N 2.86Å
13S96.8Very high85.8Confident67 Ų6761.6 Ų61.647%0.46939%0.391SS..EExtended strand (participates in β ladder)trans-120.6130173.2-62.80000109.7V72S13-V72 CarbonylContact C-O 3.51Å; S13-V72 VanDerWaalsContact CA-O 3.31Å; S13-V72 WeakPolarHBondContact CA-O 3.48Å
14Q97.3Very high87.7Confident65 Ų6560.7 Ų60.730%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-129.4127.7-179.7-67.7-67.2-1000109.6M12 W35 I71 V72M12-Q14 HydrophobicContact CG-CG 4.18Å; M12-Q14 HydrophobicContact SD-CG 4.21Å; Q14-W35 HydrophobicContact CB-CD2 4.41Å; Q14-W35 HydrophobicContact CB-CE3 4.3Å; Q14-W35 HydrophobicContact CB-CH2 3.94Å; Q14-W35 HydrophobicContact CB-CZ2 4.03Å; Q14-W35 HydrophobicContact CB-CZ3 4.07Å; Q14-W35 HydrophobicContact CG-CD2 4.03Å; Q14-W35 HydrophobicContact CG-CE3 4.38Å; Q14-W35 HydrophobicContact CG-CG 4.45Å; Q14-W35 HydrophobicContact CG-CH2 4.43Å; Q14-W35 HydrophobicContact CG-CZ2 4.06Å; Q14-I71 WeakPolarHBondContact O-CA 3.17Å; Q14-V72 PolarHBondContact N-O 2.97Å; Q14-V72 PolarHBondContact O-N 2.84Å
15A96.9Very high89.6Confident34 Ų3455.1 Ų55.128%0.28135%0.348SS..EExtended strand (participates in β ladder)trans-76.9129.9166.200000108.7Q17 H20A15-Q17 PolarHBondContact O-N 3.21Å; A15-H20 PolarHBondContact O-ND1 2.82Å
16I96.9Very high91.1Very high1 Ų152 Ų521%0.00533%0.329CS..  trans-74.3118.2178.3-57.6168.3000108.2H20 L27 A66 R67 I68 G69 Q70 V72I16-H20 HydrophobicContact CG2-CB 4.28Å; I16-L27 HydrophobicContact CD1-CB 3.99Å; I16-L27 HydrophobicContact CD1-CD2 4.07Å; I16-L27 HydrophobicContact CG1-CD1 4.47Å; I16-L27 HydrophobicContact CG1-CD2 4.41Å; I16-L27 HydrophobicContact CG2-CB 4.33Å; I16-L27 HydrophobicContact CG2-CD1 4.36Å; I16-A66 HydrophobicContact CD1-CB 3.44Å; I16-A66 VanDerWaalsContact CD1-CB 3.44Å; I16-R67 VanDerWaalsContact CD1-O 3.22Å; I16-R67 WeakPolarHBondContact CD1-O 3.4Å; I16-I68 HydrophobicContact CG2-CG1 4.23Å; I16-G69 PolarHBondContact O-N 2.89Å; I16-Q70 HydrophobicContact CD1-CB 4.28Å; I16-Q70 PolarHBondContact N-O 3.24Å; I16-V72 HydrophobicContact CD1-CG2 3.69Å; I16-V72 HydrophobicContact CG1-CG2 3.99Å
17Q97Very high92.4Very high99 Ų9951.5 Ų51.546%0.46332%0.322SS..  trans-105.6161.8179.1-61-62.4-34.300108.9A15 A19 H20A15-Q17 PolarHBondContact O-N 3.21Å; Q17-A19 PolarHBondContact O-N 2.99Å; Q17-A19 VanDerWaalsContact O-N 3.14Å; Q17-H20 PolarHBondContact N-ND1 3.25Å; Q17-H20 WeakPolarHBondContact O-CB 3.43Å; Q17-H20 PolarHBondContact O-N 3.44Å
18P96.6Very high93.8Very high91 Ų9148 Ų4859%0.59130%0.3SS*.G310 helixtrans-52.1-35.2173.2-28.135.8000113.7H20 A21 I68P18-H20 PolarHBondContact O-N 3.06Å; P18-H20 VanDerWaalsContact O-N 3.12Å; P18-A21 PolarHBondContact O-N 3.02Å; P18-A21 VanDerWaalsContact O-N 3.16Å; P18-I68 HydrophobicContact CB-CD1 4.31Å; P18-I68 HydrophobicContact CG-CD1 4.36Å; P18-I68 HydrophobicContact CG-CG2 4.36Å
19A96.8Very high94.8Very high96 Ų9647.2 Ų47.279%0.79329%0.29SS*.G310 helixtrans-66.1-10.3176.600000114.8Q17Q17-A19 PolarHBondContact O-N 2.99Å; Q17-A19 VanDerWaalsContact O-N 3.14Å
20H97Very high95.3Very high40 Ų4045.5 Ų45.519%0.18528%0.282CS..G310 helixtrans-103.2-5.7178.6-54.5149.8000112.5A15 I16 Q17 P18 L27 S28 Q31 W35A15-H20 PolarHBondContact O-ND1 2.82Å; I16-H20 HydrophobicContact CG2-CB 4.28Å; Q17-H20 PolarHBondContact N-ND1 3.25Å; Q17-H20 WeakPolarHBondContact O-CB 3.43Å; Q17-H20 PolarHBondContact O-N 3.44Å; P18-H20 PolarHBondContact O-N 3.06Å; P18-H20 VanDerWaalsContact O-N 3.12Å; H20-L27 HydrophobicContact CB-CD1 3.98Å; H20-S28 PolarHBondContact O-N 3.09Å; H20-Q31 HydrophobicContact CB-CG 4.15Å; H20-W35 HydrophobicContact CB-CH2 4.02Å; H20-W35 HydrophobicContact CB-CZ2 4.49Å; H20-W35 AromaticContact CD2-CZ2 3.9Å; H20-W35 AromaticContact CE1-CH2 3.99Å; H20-W35 AromaticContact CE1-CZ2 3.68Å; H20-W35 AromaticContact CG-CH2 3.68Å; H20-W35 AromaticContact CG-CZ2 3.78Å; H20-W35 AromaticContact ND1-CH2 3.48Å; H20-W35 WeakPolarHBondContact ND1-CH2 3.47Å; H20-W35 AromaticContact ND1-CZ2 3.63Å; H20-W35 AromaticContact NE2-CZ2 3.83Å
21A94.8Very high95.4Very high24 Ų2445.8 Ų45.820%0.19828%0.282CS..BIsolated β-bridgetrans-109.8160.7-166.600000113P18 E26 I68P18-A21 PolarHBondContact O-N 3.02Å; P18-A21 VanDerWaalsContact O-N 3.16Å; A21-E26 CarbonylContact C-O 3.57Å; A21-E26 WeakPolarHBondContact CA-O 3.36Å; A21-E26 VanDerWaalsContact CB-O 3.26Å; A21-E26 WeakPolarHBondContact CB-O 3.06Å; A21-I68 HydrophobicContact CB-CD1 3.6Å; A21-I68 HydrophobicContact CB-CG1 3.49Å; A21-I68 VanDerWaalsContact CB-CG1 3.49Å
22D91.8Very high95.4Very high58 Ų5843 Ų4331%0.3127%0.267SS..  trans-80.6-174.3169.869.313.3000112.1R24 G25 E26D22-R24 PolarHBondContact O-N 2.91Å; D22-R24 VanDerWaalsContact O-N 3.12Å; D22-R24 WeakPolarHBondContact OD1-CA 3.2Å; D22-R24 WeakPolarHBondContact OD1-CB 3.5Å; D22-R24 PolarHBondContact OD1-N 2.95Å; D22-G25 PolarHBondContact O-N 3.3Å; D22-G25 VanDerWaalsContact O-N 3.08Å; D22-G25 PolarHBondContact OD1-N 2.96Å; D22-G25 VanDerWaalsContact OD1-N 3.11Å; D22-E26 PolarHBondContact N-O 3.15Å; D22-E26 PolarHBondContact OD1-N 3.26Å
23S88.3Confident95.5Very high117 Ų11741.6 Ų41.682%0.81826%0.26SS*.THydrogen-bonded Turntrans-63.1-14.5179.750.40000114.6
24R90.6Very high95.5Very high51 Ų5141 Ų4119%0.19225%0.249CC..THydrogen-bonded Turntrans-101.81.2177.7-60.3-164.9-59.5-177.81.1113.2D22 E26D22-R24 PolarHBondContact O-N 2.91Å; D22-R24 VanDerWaalsContact O-N 3.12Å; D22-R24 WeakPolarHBondContact OD1-CA 3.2Å; D22-R24 WeakPolarHBondContact OD1-CB 3.5Å; D22-R24 PolarHBondContact OD1-N 2.95Å; R24-E26 VanDerWaalsContact C-N 3.3Å; R24-E26 HydrophobicContact CB-CG 4.27Å; R24-E26 IonicContact CZ-OE2 3.54Å; R24-E26 IonicContact NE-OE2 2.7Å; R24-E26 IonicContact NH2-OE2 2.96Å; R24-E26 PolarHBondContact NH2-OE2 3.38Å
25G93.2Very high95.5Very high17 Ų1738.7 Ų38.718%0.17524%0.238CC..SBendtrans75.819.4-176.200000113.4D22 R67 I68D22-G25 PolarHBondContact O-N 3.3Å; D22-G25 VanDerWaalsContact O-N 3.08Å; D22-G25 PolarHBondContact OD1-N 2.96Å; D22-G25 VanDerWaalsContact OD1-N 3.11Å; G25-R67 WeakPolarHBondContact O-CA 3.34Å; G25-I68 VanDerWaalsContact CA-CD1 3.49Å; G25-I68 WeakPolarHBondContact O-CG1 3.25Å; G25-I68 PolarHBondContact O-N 3.07Å
26E94.3Very high95.6Very high8 Ų837.1 Ų37.14%0.03723%0.225CC..BIsolated β-bridgetrans-90.1145.2170.2-52.6-165.6126.600109.8A21 D22 R24 S28 T65 A66 R67A21-E26 CarbonylContact C-O 3.57Å; A21-E26 WeakPolarHBondContact CA-O 3.36Å; A21-E26 VanDerWaalsContact CB-O 3.26Å; A21-E26 WeakPolarHBondContact CB-O 3.06Å; D22-E26 PolarHBondContact N-O 3.15Å; D22-E26 PolarHBondContact OD1-N 3.26Å; R24-E26 VanDerWaalsContact C-N 3.3Å; R24-E26 HydrophobicContact CB-CG 4.27Å; R24-E26 IonicContact CZ-OE2 3.54Å; R24-E26 IonicContact NE-OE2 2.7Å; R24-E26 IonicContact NH2-OE2 2.96Å; R24-E26 PolarHBondContact NH2-OE2 3.38Å; E26-S28 PolarHBondContact O-N 2.67Å; E26-T65 PolarHBondContact OE1-OG1 2.98Å; E26-A66 CarbonylContact C-O 3.55Å; E26-A66 WeakPolarHBondContact CA-O 3.26Å; E26-R67 HydrophobicContact CG-CG 4.29Å; E26-R67 IonicContact OE1-CZ 3.33Å; E26-R67 IonicContact OE1-NE 2.85Å; E26-R67 PolarHBondContact OE1-NE 3.46Å; E26-R67 IonicContact OE1-NH2 2.82Å; E26-R67 PolarHBondContact OE1-NH2 2.81Å
27L96.6Very high95.6Very high17 Ų1737 Ų379%0.08922%0.224CC..BIsolated β-bridgetrans-59.9123.4177.2172.362.6000109.7I16 H20 A29 Q31 L32 W35 A66 V72I16-L27 HydrophobicContact CD1-CB 3.99Å; I16-L27 HydrophobicContact CD1-CD2 4.07Å; I16-L27 HydrophobicContact CG1-CD1 4.47Å; I16-L27 HydrophobicContact CG1-CD2 4.41Å; I16-L27 HydrophobicContact CG2-CB 4.33Å; I16-L27 HydrophobicContact CG2-CD1 4.36Å; H20-L27 HydrophobicContact CB-CD1 3.98Å; L27-A29 PolarHBondContact O-N 3.49Å; L27-Q31 HydrophobicContact CD1-CB 4.22Å; L27-Q31 HydrophobicContact CD1-CG 4.16Å; L27-L32 HydrophobicContact CD2-CB 3.96Å; L27-L32 HydrophobicContact CD2-CD1 4.26Å; L27-L32 HydrophobicContact CD2-CD2 4.34Å; L27-L32 HydrophobicContact CD2-CG 4.41Å; L27-L32 HydrophobicContact CG-CB 4.37Å; L27-W35 HydrophobicContact CD1-CE3 4.5Å; L27-W35 HydrophobicContact CD1-CH2 3.89Å; L27-W35 HydrophobicContact CD1-CZ3 3.56Å; L27-W35 HydrophobicContact CD2-CZ3 4.04Å; L27-W35 HydrophobicContact CG-CZ3 4.48Å; L27-A66 HydrophobicContact CB-CB 4.06Å; L27-A66 WeakPolarHBondContact CB-O 3.33Å; L27-A66 HydrophobicContact CD2-CB 4.07Å; L27-A66 PolarHBondContact N-O 3.06Å; L27-V72 HydrophobicContact CD2-CG2 3.89Å
28S95.6Very high95.7Very high32 Ų3234.5 Ų34.522%0.22422%0.216CC..PPolyproline II helixtrans-55.4125.6171.5162.80000109.7H20 E26 G30 Q31 L32 E211H20-S28 PolarHBondContact O-N 3.09Å; E26-S28 PolarHBondContact O-N 2.67Å; S28-G30 PolarHBondContact O-N 3.16Å; S28-G30 PolarHBondContact OG-N 2.99Å; S28-Q31 WeakPolarHBondContact O-CB 2.76Å; S28-Q31 PolarHBondContact O-N 3.46Å; S28-Q31 PolarHBondContact OG-N 2.8Å; S28-L32 PolarHBondContact O-N 2.93Å; S28-E211 PolarHBondContact OG-OE2 2.84Å
29A95.5Very high95.7Very high17 Ų1730.2 Ų30.214%0.1419%0.188CC..Hα-helixtrans-62.7-34.417900000111.3L27 Q31 L32 L33 E211 L228L27-A29 PolarHBondContact O-N 3.49Å; A29-Q31 VanDerWaalsContact C-N 3.34Å; A29-Q31 PolarHBondContact O-N 3.45Å; A29-L32 PolarHBondContact O-N 3.14Å; A29-L33 VanDerWaalsContact O-CG 3.31Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 2.8Å; A29-E211 HydrophobicContact CB-CG 3.92Å; A29-L228 HydrophobicContact CB-CB 3.65Å; A29-L228 HydrophobicContact CB-CD2 3.51Å; A29-L228 HydrophobicContact CB-CG 4.23Å
30G96.2Very high95.7Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-59.2-42.1171.500000113S28 L32 L33 K34 A208 E211S28-G30 PolarHBondContact O-N 3.16Å; S28-G30 PolarHBondContact OG-N 2.99Å; G30-L32 VanDerWaalsContact C-N 3.35Å; G30-L32 PolarHBondContact O-N 2.89Å; G30-L33 PolarHBondContact O-N 2.88Å; G30-K34 PolarHBondContact O-N 3.49Å; G30-A208 VanDerWaalsContact O-CB 3.31Å; G30-A208 WeakPolarHBondContact O-CB 3.34Å; G30-E211 WeakPolarHBondContact CA-OE2 3.15Å; G30-E211 PolarHBondContact N-OE2 2.82Å
31Q97.5Very high95.7Very high29 Ų2924 Ų2414%0.13614%0.143CC..Hα-helixtrans-64.2-40175.2-177.165.59.200111.8H20 L27 S28 A29 K34 W35H20-Q31 HydrophobicContact CB-CG 4.15Å; L27-Q31 HydrophobicContact CD1-CB 4.22Å; L27-Q31 HydrophobicContact CD1-CG 4.16Å; S28-Q31 WeakPolarHBondContact O-CB 2.76Å; S28-Q31 PolarHBondContact O-N 3.46Å; S28-Q31 PolarHBondContact OG-N 2.8Å; A29-Q31 VanDerWaalsContact C-N 3.34Å; A29-Q31 PolarHBondContact O-N 3.45Å; Q31-K34 WeakPolarHBondContact O-CB 3.39Å; Q31-K34 PolarHBondContact O-N 2.96Å; Q31-W35 HydrophobicContact CG-CD2 4.23Å; Q31-W35 HydrophobicContact CG-CE3 4.37Å; Q31-W35 HydrophobicContact CG-CH2 3.86Å; Q31-W35 HydrophobicContact CG-CZ2 3.71Å; Q31-W35 HydrophobicContact CG-CZ3 4.2Å; Q31-W35 PolarHBondContact O-N 3.47Å; Q31-W35 VanDerWaalsContact O-N 3.12Å
32L97.5Very high95.8Very high7 Ų726.7 Ų26.74%0.03715%0.154CC..Hα-helixtrans-63.9-46.2175.1-179.655.8000111.8L27 S28 A29 G30 K34 W35 M36 F62 V72 I74 V92 L105L27-L32 HydrophobicContact CD2-CB 3.96Å; L27-L32 HydrophobicContact CD2-CD1 4.26Å; L27-L32 HydrophobicContact CD2-CD2 4.34Å; L27-L32 HydrophobicContact CD2-CG 4.41Å; L27-L32 HydrophobicContact CG-CB 4.37Å; S28-L32 PolarHBondContact O-N 2.93Å; A29-L32 PolarHBondContact O-N 3.14Å; G30-L32 VanDerWaalsContact C-N 3.35Å; G30-L32 PolarHBondContact O-N 2.89Å; L32-K34 VanDerWaalsContact C-N 3.25Å; L32-K34 PolarHBondContact O-N 2.96Å; L32-W35 HydrophobicContact CD1-CE3 4.47Å; L32-W35 PolarHBondContact O-N 3.4Å; L32-W35 VanDerWaalsContact O-N 3.14Å; L32-M36 HydrophobicContact CD1-CG 4.23Å; L32-M36 HydrophobicContact CD1-SD 4.4Å; L32-M36 HydrophobicContact CG-CG 4.38Å; L32-M36 HydrophobicContact CG-SD 3.99Å; L32-M36 VanDerWaalsContact O-CG 3.29Å; L32-M36 WeakPolarHBondContact O-CG 3.3Å; L32-M36 PolarHBondContact O-N 3.46Å; L32-F62 HydrophobicContact CD2-CD1 4.15Å; L32-F62 HydrophobicContact CD2-CE1 3.72Å; L32-F62 HydrophobicContact CG-CE1 4.49Å; L32-V72 HydrophobicContact CD1-CG1 4.02Å; L32-I74 HydrophobicContact CD1-CD1 4.2Å; L32-V92 HydrophobicContact CD1-CG1 3.93Å; L32-L105 HydrophobicContact CD2-CD1 4.38Å
33L97.6Very high96Very high4 Ų424 Ų242%0.02114%0.139CC..Hα-helixtrans-57.6-39.4176.3-71170.3000111.6A29 G30 M36 D37 I60 F62 M207 E211 L228 V231A29-L33 VanDerWaalsContact O-CG 3.31Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 2.8Å; G30-L33 PolarHBondContact O-N 2.88Å; L33-M36 HydrophobicContact CD2-SD 4.44Å; L33-M36 PolarHBondContact O-N 2.9Å; L33-D37 WeakPolarHBondContact O-CB 3.35Å; L33-D37 PolarHBondContact O-N 3.43Å; L33-I60 HydrophobicContact CD2-CD1 3.6Å; L33-F62 HydrophobicContact CD2-CZ 4.14Å; L33-M207 HydrophobicContact CB-CB 3.99Å; L33-M207 HydrophobicContact CD1-CB 4.22Å; L33-M207 HydrophobicContact CD2-SD 4.49Å; L33-E211 HydrophobicContact CD1-CB 4.41Å; L33-L228 HydrophobicContact CD1-CD2 4.43Å; L33-V231 HydrophobicContact CD1-CG2 4.34Å
34K97.7Very high96.3Very high54 Ų5418.4 Ų18.424%0.23510%0.1CC..Hα-helixtrans-60.6-49.7174-170.817475.3-165.20112G30 Q31 L32 M36 D37 T38 A208G30-K34 PolarHBondContact O-N 3.49Å; Q31-K34 WeakPolarHBondContact O-CB 3.39Å; Q31-K34 PolarHBondContact O-N 2.96Å; L32-K34 VanDerWaalsContact C-N 3.25Å; L32-K34 PolarHBondContact O-N 2.96Å; K34-M36 VanDerWaalsContact C-N 3.35Å; K34-M36 PolarHBondContact O-N 2.93Å; K34-D37 PolarHBondContact O-N 3.02Å; K34-T38 PolarHBondContact O-N 3.14Å; K34-T38 PolarHBondContact O-OG1 3.49Å; K34-T38 VanDerWaalsContact O-OG1 3.05Å; K34-A208 HydrophobicContact CB-CB 4.3Å
35W98.2Very high96.5Very high17 Ų1718.2 Ų18.26%0.06410%0.101CC..Hα-helixtrans-65.3-37.3178.7-66.6-32.5000113M12 Q14 H20 L27 Q31 L32 T38 T39 I74M12-W35 HydrophobicContact SD-CB 4.21Å; M12-W35 HydrophobicContact SD-CG 4.4Å; Q14-W35 HydrophobicContact CB-CD2 4.41Å; Q14-W35 HydrophobicContact CB-CE3 4.3Å; Q14-W35 HydrophobicContact CB-CH2 3.94Å; Q14-W35 HydrophobicContact CB-CZ2 4.03Å; Q14-W35 HydrophobicContact CB-CZ3 4.07Å; Q14-W35 HydrophobicContact CG-CD2 4.03Å; Q14-W35 HydrophobicContact CG-CE3 4.38Å; Q14-W35 HydrophobicContact CG-CG 4.45Å; Q14-W35 HydrophobicContact CG-CH2 4.43Å; Q14-W35 HydrophobicContact CG-CZ2 4.06Å; H20-W35 HydrophobicContact CB-CH2 4.02Å; H20-W35 HydrophobicContact CB-CZ2 4.49Å; H20-W35 AromaticContact CD2-CZ2 3.9Å; H20-W35 AromaticContact CE1-CH2 3.99Å; H20-W35 AromaticContact CE1-CZ2 3.68Å; H20-W35 AromaticContact CG-CH2 3.68Å; H20-W35 AromaticContact CG-CZ2 3.78Å; H20-W35 AromaticContact ND1-CH2 3.48Å; H20-W35 WeakPolarHBondContact ND1-CH2 3.47Å; H20-W35 AromaticContact ND1-CZ2 3.63Å; H20-W35 AromaticContact NE2-CZ2 3.83Å; L27-W35 HydrophobicContact CD1-CE3 4.5Å; L27-W35 HydrophobicContact CD1-CH2 3.89Å; L27-W35 HydrophobicContact CD1-CZ3 3.56Å; L27-W35 HydrophobicContact CD2-CZ3 4.04Å; L27-W35 HydrophobicContact CG-CZ3 4.48Å; Q31-W35 HydrophobicContact CG-CD2 4.23Å; Q31-W35 HydrophobicContact CG-CE3 4.37Å; Q31-W35 HydrophobicContact CG-CH2 3.86Å; Q31-W35 HydrophobicContact CG-CZ2 3.71Å; Q31-W35 HydrophobicContact CG-CZ3 4.2Å; Q31-W35 PolarHBondContact O-N 3.47Å; Q31-W35 VanDerWaalsContact O-N 3.12Å; L32-W35 HydrophobicContact CD1-CE3 4.47Å; L32-W35 PolarHBondContact O-N 3.4Å; L32-W35 VanDerWaalsContact O-N 3.14Å; W35-T38 PolarHBondContact O-N 3Å; W35-T39 WeakPolarHBondContact O-CB 3.44Å; W35-T39 PolarHBondContact O-N 2.77Å; W35-T39 PolarHBondContact O-OG1 3.3Å; W35-I74 HydrophobicContact CB-CD1 3.43Å; W35-I74 VanDerWaalsContact CB-CD1 3.43Å
36M98.1Very high96.5Very high0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-59.5-49.6174.8-72.4171.46700111.1L32 L33 K34 T39 A40 I60 I74 I90 V92 A108L32-M36 HydrophobicContact CD1-CG 4.23Å; L32-M36 HydrophobicContact CD1-SD 4.4Å; L32-M36 HydrophobicContact CG-CG 4.38Å; L32-M36 HydrophobicContact CG-SD 3.99Å; L32-M36 VanDerWaalsContact O-CG 3.29Å; L32-M36 WeakPolarHBondContact O-CG 3.3Å; L32-M36 PolarHBondContact O-N 3.46Å; L33-M36 HydrophobicContact CD2-SD 4.44Å; L33-M36 PolarHBondContact O-N 2.9Å; K34-M36 VanDerWaalsContact C-N 3.35Å; K34-M36 PolarHBondContact O-N 2.93Å; M36-T39 PolarHBondContact O-N 2.91Å; M36-A40 WeakPolarHBondContact O-CB 3.31Å; M36-A40 PolarHBondContact O-N 2.93Å; M36-I60 HydrophobicContact CE-CD1 4.11Å; M36-I60 HydrophobicContact CE-CG2 4.38Å; M36-I74 HydrophobicContact CG-CD1 4.24Å; M36-I90 HydrophobicContact CB-CD1 4.34Å; M36-I90 HydrophobicContact CB-CG2 4.26Å; M36-I90 HydrophobicContact CE-CD1 4.5Å; M36-I90 HydrophobicContact CE-CG2 4.08Å; M36-I90 HydrophobicContact CG-CG2 4.12Å; M36-V92 HydrophobicContact CE-CG2 4.31Å; M36-V92 HydrophobicContact CG-CG2 3.86Å; M36-V92 HydrophobicContact SD-CG2 4.02Å; M36-A108 HydrophobicContact CE-CB 3.51Å
37D97.8Very high96.5Very high0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-63.1-45.2178.1-173.176.3000112.1L33 K34 T39 A40 C41 T54 M57 F112 G204 M207L33-D37 WeakPolarHBondContact O-CB 3.35Å; L33-D37 PolarHBondContact O-N 3.43Å; K34-D37 PolarHBondContact O-N 3.02Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 3.26Å; D37-A40 PolarHBondContact O-N 3.37Å; D37-C41 VanDerWaalsContact O-CB 3.27Å; D37-C41 WeakPolarHBondContact O-CB 3.45Å; D37-C41 PolarHBondContact O-N 2.86Å; D37-T54 WeakPolarHBondContact OD1-CB 3.4Å; D37-T54 WeakPolarHBondContact OD1-CG2 3.4Å; D37-T54 PolarHBondContact OD1-OG1 3.39Å; D37-T54 PolarHBondContact OD2-OG1 3.49Å; D37-M57 HydrophobicContact CB-CE 4.2Å; D37-F112 WeakPolarHBondContact OD1-CZ 3.28Å; D37-G204 VanDerWaalsContact CB-CA 3.41Å; D37-G204 WeakPolarHBondContact OD2-CA 3.37Å; D37-G204 PolarHBondContact OD2-N 2.81Å; D37-M207 HydrophobicContact CB-CE 3.69Å
38T97.3Very high96.3Very high46 Ų4625.4 Ų25.428%0.28213%0.132SC..Hα-helixtrans-59.1-44.8176.4-58.10000111.5M12 K34 W35 A40 C41 L42M12-T38 HydrophobicContact CE-CG2 3.81Å; K34-T38 PolarHBondContact O-N 3.14Å; K34-T38 PolarHBondContact O-OG1 3.49Å; K34-T38 VanDerWaalsContact O-OG1 3.05Å; W35-T38 PolarHBondContact O-N 3Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.32Å; T38-C41 PolarHBondContact O-N 3.1Å; T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.92Å
39T97.6Very high96.1Very high0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-65.4-40.4179.4-48.50000111.1V10 M12 W35 M36 D37 A43 I74 A76V10-T39 HydrophobicContact CB-CG2 4.39Å; V10-T39 HydrophobicContact CG1-CG2 3.96Å; M12-T39 HydrophobicContact CB-CG2 4.02Å; M12-T39 WeakPolarHBondContact CB-OG1 3.35Å; M12-T39 WeakPolarHBondContact CE-OG1 3.34Å; W35-T39 WeakPolarHBondContact O-CB 3.44Å; W35-T39 PolarHBondContact O-N 2.77Å; W35-T39 PolarHBondContact O-OG1 3.3Å; M36-T39 PolarHBondContact O-N 2.91Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 3.26Å; T39-A43 PolarHBondContact O-N 2.89Å; T39-A43 VanDerWaalsContact O-N 3.12Å; T39-I74 HydrophobicContact CG2-CB 4.32Å; T39-I74 HydrophobicContact CG2-CG2 3.91Å; T39-A76 HydrophobicContact CG2-CB 3.75Å
40A97.4Very high95.9Very high0 Ų028.9 Ų28.90%016%0.161CC..Hα-helixtrans-68.7-39.5176.900000112.9M36 D37 T38 A43 A44 A76 I88 I90 F112M36-A40 WeakPolarHBondContact O-CB 3.31Å; M36-A40 PolarHBondContact O-N 2.93Å; D37-A40 PolarHBondContact O-N 3.37Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 3.32Å; A40-A43 PolarHBondContact O-N 2.84Å; A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 2.94Å; A40-A76 HydrophobicContact CB-CB 4.49Å; A40-I88 HydrophobicContact CB-CB 4.35Å; A40-I88 HydrophobicContact CB-CG2 3.82Å; A40-I90 HydrophobicContact CB-CD1 3.67Å; A40-I90 HydrophobicContact CB-CG1 4.05Å; A40-F112 HydrophobicContact CB-CD2 4.44Å; A40-F112 HydrophobicContact CB-CE2 3.5Å; A40-F112 HydrophobicContact CB-CZ 3.96Å
41C96.5Very high95.7Very high5 Ų529.1 Ų29.13%0.03416%0.162CC..Hα-helixtrans-60.4-46.8174.7-171.50000110.5D37 T38 A43 A44 E45 F112D37-C41 VanDerWaalsContact O-CB 3.27Å; D37-C41 WeakPolarHBondContact O-CB 3.45Å; D37-C41 PolarHBondContact O-N 2.86Å; T38-C41 PolarHBondContact O-N 3.1Å; C41-A43 VanDerWaalsContact C-N 3.32Å; C41-A43 PolarHBondContact O-N 3.13Å; C41-A44 WeakPolarHBondContact O-CB 3.41Å; C41-A44 PolarHBondContact O-N 2.85Å; C41-A44 VanDerWaalsContact O-N 3.14Å; C41-E45 WeakPolarHBondContact O-CB 3.36Å; C41-E45 WeakPolarHBondContact O-CG 3.37Å; C41-E45 PolarHBondContact O-N 3.4Å; C41-F112 VanDerWaalsContact CA-CE1 3.47Å; C41-F112 HydrophobicContact CB-CD1 4.34Å; C41-F112 HydrophobicContact CB-CE1 3.48Å; C41-F112 VanDerWaalsContact CB-CE1 3.48Å; C41-F112 HydrophobicContact CB-CZ 3.83Å
42L96.1Very high95.5Very high82 Ų8227.8 Ų27.843%0.42916%0.157SC..Hα-helixtrans-61.2-39.3176.3-71.5172.2000112.3V10 T38 K46V10-L42 HydrophobicContact CG1-CB 4.04Å; V10-L42 HydrophobicContact CG1-CD1 4.45Å; V10-L42 HydrophobicContact CG2-CB 4.36Å; T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.92Å; L42-K46 WeakPolarHBondContact O-CB 3.44Å; L42-K46 PolarHBondContact O-N 2.96Å
43A95.9Very high95.4Very high1 Ų128.9 Ų28.91%0.00816%0.164CC..Hα-helixtrans-64.7-41.3174.600000111.7V10 T39 A40 C41 H47 A76 I88V10-A43 HydrophobicContact CB-CB 4.18Å; V10-A43 HydrophobicContact CG2-CB 3.89Å; T39-A43 PolarHBondContact O-N 2.89Å; T39-A43 VanDerWaalsContact O-N 3.12Å; A40-A43 PolarHBondContact O-N 2.84Å; C41-A43 VanDerWaalsContact C-N 3.32Å; C41-A43 PolarHBondContact O-N 3.13Å; A43-H47 PolarHBondContact O-N 3.46Å; A43-A76 HydrophobicContact CB-CB 3.96Å; A43-I88 HydrophobicContact CB-CG2 4.47Å
44A95.4Very high95.4Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-65-47.3177.200000112.2A40 C41 K46 H47 A48 C52 M86 I88 F112A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 2.94Å; C41-A44 WeakPolarHBondContact O-CB 3.41Å; C41-A44 PolarHBondContact O-N 2.85Å; C41-A44 VanDerWaalsContact O-N 3.14Å; A44-K46 PolarHBondContact O-N 2.58Å; A44-H47 PolarHBondContact O-N 2.94Å; A44-A48 WeakPolarHBondContact O-CB 3.26Å; A44-A48 PolarHBondContact O-N 3.25Å; A44-C52 HydrophobicContact CB-CB 4Å; A44-M86 VanDerWaalsContact CA-SD 3.55Å; A44-M86 HydrophobicContact CB-CE 4.38Å; A44-M86 HydrophobicContact CB-CG 4.36Å; A44-M86 HydrophobicContact CB-SD 3.72Å; A44-I88 HydrophobicContact CB-CD1 4.2Å; A44-I88 HydrophobicContact CB-CG1 4.38Å; A44-F112 HydrophobicContact CB-CB 3.76Å; A44-F112 HydrophobicContact CB-CD1 4.26Å; A44-F112 HydrophobicContact CB-CD2 4.43Å; A44-F112 HydrophobicContact CB-CG 3.89Å
45E94.3Very high95.3Very high46 Ų4628.1 Ų28.122%0.21517%0.166CC..Hα-helixtrans-66.1-36.3178.4-67.5-172.5153.900111.6C41 H47 A48 G49 I50 S51 C52C41-E45 WeakPolarHBondContact O-CB 3.36Å; C41-E45 WeakPolarHBondContact O-CG 3.37Å; C41-E45 PolarHBondContact O-N 3.4Å; E45-H47 VanDerWaalsContact C-N 3.29Å; E45-H47 PolarHBondContact O-N 3.42Å; E45-A48 PolarHBondContact O-N 3.31Å; E45-G49 WeakPolarHBondContact O-CA 3.5Å; E45-G49 PolarHBondContact O-N 3.09Å; E45-I50 WeakPolarHBondContact CG-O 3.34Å; E45-S51 WeakPolarHBondContact OE1-CA 3.45Å; E45-S51 PolarHBondContact OE1-OG 3.29Å; E45-C52 HydrophobicContact CG-CB 3.86Å; E45-C52 PolarHBondContact OE1-N 3.31Å; E45-C52 VanDerWaalsContact OE1-N 3.13Å
46K93.8Very high95.2Very high122 Ų12228 Ų2853%0.5317%0.168SC..Hα-helixtrans-61.3-35.5172.9-176.4176.2179.5179.20112.5E9 V10 L42 A44E9-K46 PolarHBondContact O-NZ 2.88Å; V10-K46 HydrophobicContact CG2-CD 3.97Å; L42-K46 WeakPolarHBondContact O-CB 3.44Å; L42-K46 PolarHBondContact O-N 2.96Å; A44-K46 PolarHBondContact O-N 2.58Å
47H93.2Very high95.1Very high50 Ų5028 Ų2823%0.23117%0.168CC..Hα-helixtrans-80.5-41.1176.5-173.779.5000112.8A43 A44 E45 V78 M86 K125A43-H47 PolarHBondContact O-N 3.46Å; A44-H47 PolarHBondContact O-N 2.94Å; E45-H47 VanDerWaalsContact C-N 3.29Å; E45-H47 PolarHBondContact O-N 3.42Å; H47-V78 HydrophobicContact CB-CG2 3.8Å; H47-M86 HydrophobicContact CB-SD 4.23Å; H47-K125 PolarHBondContact CE1-O 3.19Å; H47-K125 PolarHBondContact NE2-O 2.76Å
48A92.7Very high94.9Very high22 Ų2228.1 Ų28.118%0.18217%0.169CC..Hα-helixtrans-76.5-32-177.600000113.7A44 E45 I50 M86 V114 L124A44-A48 WeakPolarHBondContact O-CB 3.26Å; A44-A48 PolarHBondContact O-N 3.25Å; E45-A48 PolarHBondContact O-N 3.31Å; A48-I50 HydrophobicContact CB-CG1 3.92Å; A48-I50 PolarHBondContact O-N 3.47Å; A48-M86 HydrophobicContact CB-CE 3.8Å; A48-V114 HydrophobicContact CB-CG1 3.72Å; A48-L124 HydrophobicContact CB-CD2 3.8Å
49G91Very high94.6Very high68 Ų6827 Ų2770%0.70116%0.161SC*.SBendtrans71.48.6-168.800000114.3E45E45-G49 WeakPolarHBondContact O-CA 3.5Å; E45-G49 PolarHBondContact O-N 3.09Å
50I91.2Very high94.4Very high53 Ų5327.1 Ų27.127%0.27216%0.161SC..SBendtrans-144.3168.4179.958.8161.2000110.3E45 A48 V114 P116 V122E45-I50 WeakPolarHBondContact CG-O 3.34Å; A48-I50 HydrophobicContact CB-CG1 3.92Å; A48-I50 PolarHBondContact O-N 3.47Å; I50-V114 HydrophobicContact CD1-CB 3.67Å; I50-V114 HydrophobicContact CD1-CG1 4.1Å; I50-V114 HydrophobicContact CD1-CG2 4.33Å; I50-V114 HydrophobicContact CG1-CB 4.24Å; I50-V114 HydrophobicContact CG1-CG1 4.21Å; I50-P116 HydrophobicContact CD1-CB 4.12Å; I50-V122 HydrophobicContact CD1-CB 4.05Å; I50-V122 HydrophobicContact CD1-CG1 3.93Å; I50-V122 HydrophobicContact CD1-CG2 3.82Å
51S92.7Very high94.1Very high5 Ų530.4 Ų30.44%0.03518%0.179CC..  trans-65.8142.4-176.8-163.90000113.2E45 K115 N196 H198E45-S51 WeakPolarHBondContact OE1-CA 3.45Å; E45-S51 PolarHBondContact OE1-OG 3.29Å; S51-K115 PolarHBondContact O-N 2.94Å; S51-N196 PolarHBondContact OG-ND2 3Å; S51-N196 VanDerWaalsContact OG-ND2 3.12Å; S51-H198 VanDerWaalsContact CB-CE1 3.4Å; S51-H198 WeakPolarHBondContact CB-CE1 3.15Å; S51-H198 WeakPolarHBondContact CB-ND1 3.5Å; S51-H198 PolarHBondContact OG-ND1 2.8Å
52C94.4Very high93.9Very high2 Ų231.3 Ų31.31%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-124152.2-178.2-66.70000110.3A44 E45 F112 V113A44-C52 HydrophobicContact CB-CB 4Å; E45-C52 HydrophobicContact CG-CB 3.86Å; E45-C52 PolarHBondContact OE1-N 3.31Å; E45-C52 VanDerWaalsContact OE1-N 3.13Å; C52-F112 HydrophobicContact CB-CB 4.3Å; C52-F112 HydrophobicContact CB-CD1 4.03Å; C52-V113 WeakPolarHBondContact CA-O 3.19Å
53V94.8Very high93.4Very high30 Ų3033.4 Ų33.418%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-127.5148.1174-620000110.5A55 F112 V113 K115 N200V53-A55 PolarHBondContact O-N 3.03Å; V53-F112 VanDerWaalsContact C-CD1 3.5Å; V53-F112 WeakPolarHBondContact O-CA 3.33Å; V53-V113 PolarHBondContact N-O 3.02Å; V53-V113 PolarHBondContact O-N 2.68Å; V53-K115 HydrophobicContact CB-CG 4.36Å; V53-K115 HydrophobicContact CG1-CG 3.84Å; V53-K115 HydrophobicContact CG2-CD 4.33Å; V53-K115 HydrophobicContact CG2-CG 3.64Å; V53-N200 HydrophobicContact CG1-CB 4.13Å
54T96.8Very high92.8Very high14 Ų1436.3 Ų36.39%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-68.2122.7178.4-37.70000109.8D37 F112 F236D37-T54 WeakPolarHBondContact OD1-CB 3.4Å; D37-T54 WeakPolarHBondContact OD1-CG2 3.4Å; D37-T54 PolarHBondContact OD1-OG1 3.39Å; D37-T54 PolarHBondContact OD2-OG1 3.49Å; T54-F112 HydrophobicContact CG2-CE2 4.4Å; T54-F112 HydrophobicContact CG2-CZ 4.19Å; T54-F112 WeakPolarHBondContact OG1-CE1 3.3Å; T54-F236 HydrophobicContact CG2-CD2 3.99Å; T54-F236 HydrophobicContact CG2-CE2 3.65Å; T54-F236 WeakPolarHBondContact O-CD2 2.95Å
55A96.7Very high92.5Very high27 Ų2738.2 Ų38.222%0.22322%0.217CC..EExtended strand (participates in β ladder)trans-101.2-38.2178.900000112.1V53 T111 V113 K235 F236V53-A55 PolarHBondContact O-N 3.03Å; A55-T111 HydrophobicContact CB-CG2 4.41Å; A55-T111 WeakPolarHBondContact CB-O 3.31Å; A55-T111 PolarHBondContact N-O 3.08Å; A55-V113 HydrophobicContact CB-CB 4.44Å; A55-V113 HydrophobicContact CB-CG2 3.64Å; A55-K235 WeakPolarHBondContact O-CA 3.48Å; A55-F236 PolarHBondContact O-N 3.38Å
56S96Very high92.5Very high14 Ų1436.2 Ų36.210%0.09821%0.208CC..EExtended strand (participates in β ladder)trans-156.9155.8175.366.30000111.6S110 T111 F234S56-S110 PolarHBondContact O-OG 3.18Å; S56-T111 PolarHBondContact N-O 3.16Å; S56-T111 PolarHBondContact O-N 2.59Å; S56-T111 WeakPolarHBondContact OG-CB 3.29Å; S56-T111 PolarHBondContact OG-OG1 3.18Å; S56-F234 VanDerWaalsContact CA-O 3.26Å; S56-F234 WeakPolarHBondContact CA-O 3.43Å; S56-F234 WeakPolarHBondContact CB-O 3.48Å
57M95.7Very high92.5Very high1 Ų135.6 Ų35.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-115.6138.4165.4-78.2-64.1-160.400108.7D37 I90 S110 M207 M233 F234D37-M57 HydrophobicContact CB-CE 4.2Å; M57-I90 HydrophobicContact CE-CD1 4.34Å; M57-S110 WeakPolarHBondContact SD-CB 3.3Å; M57-S110 PolarHBondContact SD-OG 3.5Å; M57-M207 HydrophobicContact CE-CE 3.62Å; M57-M207 HydrophobicContact CE-SD 4.24Å; M57-M207 HydrophobicContact CG-CE 4.2Å; M57-M207 HydrophobicContact CG-SD 3.74Å; M57-M233 CarbonylContact O-C 3.49Å; M57-M233 VanDerWaalsContact O-CA 3.26Å; M57-M233 WeakPolarHBondContact O-CA 3.05Å; M57-M233 WeakPolarHBondContact O-CG 3.45Å; M57-F234 HydrophobicContact CB-CD1 4.36Å; M57-F234 HydrophobicContact CB-CE1 3.86Å; M57-F234 HydrophobicContact CB-CZ 4.2Å; M57-F234 HydrophobicContact CG-CE1 4.43Å; M57-F234 HydrophobicContact CG-CZ 4.38Å; M57-F234 PolarHBondContact N-O 3.13Å; M57-F234 PolarHBondContact O-N 2.89Å
58D93.7Very high92.6Very high3 Ų336.7 Ų36.72%0.01621%0.209CC..  trans-76.9177.3172.4-74.417.2000111.1I60 F109 R148 M233D58-I60 WeakPolarHBondContact O-CG1 3.24Å; D58-I60 PolarHBondContact O-N 3.12Å; D58-F109 HydrophobicContact CB-CB 4.07Å; D58-F109 WeakPolarHBondContact CB-O 3.46Å; D58-F109 PolarHBondContact N-O 3.11Å; D58-R148 VanDerWaalsContact CG-NH2 3.35Å; D58-R148 WeakPolarHBondContact OD1-CD 3.34Å; D58-R148 IonicContact OD1-CZ 3.74Å; D58-R148 IonicContact OD1-NE 3.22Å; D58-R148 PolarHBondContact OD1-NE 2.86Å; D58-R148 IonicContact OD1-NH2 2.71Å; D58-R148 PolarHBondContact OD1-NH2 2.81Å; D58-R148 IonicContact OD2-CZ 3.33Å; D58-R148 IonicContact OD2-NE 3.74Å; D58-R148 PolarHBondContact OD2-NE 3.35Å; D58-R148 IonicContact OD2-NH2 2.66Å; D58-R148 PolarHBondContact OD2-NH2 3.28Å; D58-M233 HydrophobicContact CB-CE 4.08Å
59D91.5Very high92.7Very high22 Ų2237.4 Ų37.412%0.11822%0.219CC..  trans-57.6127.1172.9-57.5-64.1000109.7V231 D232 M233 R328 I332D59-V231 WeakPolarHBondContact CA-O 3.29Å; D59-D232 WeakPolarHBondContact OD1-CA 3.29Å; D59-M233 PolarHBondContact OD1-N 3.11Å; D59-R328 IonicContact OD1-NH1 3.87Å; D59-R328 WeakPolarHBondContact OD2-CD 3.26Å; D59-R328 IonicContact OD2-CZ 3.84Å; D59-R328 IonicContact OD2-NE 3.59Å; D59-R328 IonicContact OD2-NH1 2.91Å; D59-R328 PolarHBondContact OD2-NH1 3.34Å; D59-I332 HydrophobicContact CB-CD1 4.42Å
60I93.2Very high93Very high2 Ų235.9 Ų35.91%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-113.1123.5177.2-51.9178.4000107.5L33 M36 D58 F62 C106 A108 S230 V231L33-I60 HydrophobicContact CD2-CD1 3.6Å; M36-I60 HydrophobicContact CE-CD1 4.11Å; M36-I60 HydrophobicContact CE-CG2 4.38Å; D58-I60 WeakPolarHBondContact O-CG1 3.24Å; D58-I60 PolarHBondContact O-N 3.12Å; I60-F62 HydrophobicContact CG2-CD2 4.46Å; I60-F62 HydrophobicContact CG2-CE1 3.97Å; I60-F62 HydrophobicContact CG2-CE2 3.88Å; I60-F62 HydrophobicContact CG2-CZ 3.63Å; I60-C106 HydrophobicContact CG2-CB 4.31Å; I60-A108 HydrophobicContact CD1-CB 4.26Å; I60-A108 HydrophobicContact CG1-CB 3.89Å; I60-A108 HydrophobicContact CG2-CB 4.34Å; I60-S230 CarbonylContact O-C 3.58Å; I60-S230 WeakPolarHBondContact O-CA 3.12Å; I60-S230 WeakPolarHBondContact O-CB 3.43Å; I60-V231 HydrophobicContact CB-CB 4.42Å; I60-V231 PolarHBondContact N-O 3.12Å; I60-V231 PolarHBondContact O-N 3.43Å
61L90.8Very high93.3Very high69 Ų6935 Ų3536%0.36119%0.189SC..EExtended strand (participates in β ladder)trans-111.8125.5172.2-179.567.7000108.8C106 K229L61-C106 WeakPolarHBondContact O-CB 3.29Å; L61-K229 HydrophobicContact CD1-CG 4.1Å
62F91.6Very high93.5Very high25 Ų2534.9 Ų34.911%0.1119%0.188CC..  trans-93121.3173.5-58.6-80.6000108.7L32 L33 I60 C106 L228 K229 V231L32-F62 HydrophobicContact CD2-CD1 4.15Å; L32-F62 HydrophobicContact CD2-CE1 3.72Å; L32-F62 HydrophobicContact CG-CE1 4.49Å; L33-F62 HydrophobicContact CD2-CZ 4.14Å; I60-F62 HydrophobicContact CG2-CD2 4.46Å; I60-F62 HydrophobicContact CG2-CE1 3.97Å; I60-F62 HydrophobicContact CG2-CE2 3.88Å; I60-F62 HydrophobicContact CG2-CZ 3.63Å; F62-C106 HydrophobicContact CD1-CB 4.17Å; F62-L228 HydrophobicContact CD2-CD2 4.22Å; F62-L228 HydrophobicContact CD2-CG 4.07Å; F62-L228 WeakPolarHBondContact CD2-O 3.41Å; F62-L228 HydrophobicContact CE2-CD2 3.51Å; F62-L228 HydrophobicContact CE2-CG 3.85Å; F62-L228 HydrophobicContact CZ-CD2 4.18Å; F62-K229 PolarHBondContact N-O 3.14Å; F62-V231 HydrophobicContact CE2-CG2 4.3Å
63E84.9Confident93.6Very high125 Ų12536 Ų3658%0.58420%0.195SC*.  trans-82.7-27.4-179.5-65.1-177.7-179.100112.3L105E63-L105 PolarHBondContact N-O 3.42Å
64D84.8Confident93.8Very high63 Ų6334.7 Ų34.734%0.33719%0.186SC..SBendtrans-153.9166.7-177.1-155.2-9000109.9K103 L105D64-K103 WeakPolarHBondContact OD2-CD 3.36Å; D64-K103 IonicContact OD2-NZ 2.66Å; D64-K103 PolarHBondContact OD2-NZ 2.76Å; D64-L105 HydrophobicContact CB-CD2 4.01Å
65T88Confident93.8Very high39 Ų3938.1 Ų38.124%0.23920%0.198CC..  trans-99.614217162.60000110.3E26 F227E26-T65 PolarHBondContact OE1-OG1 2.98Å; T65-F227 HydrophobicContact CG2-CB 4.25Å; T65-F227 HydrophobicContact CG2-CD2 4.16Å; T65-F227 HydrophobicContact CG2-CG 4.45Å
66A94.2Very high93.8Very high4 Ų436.9 Ų36.93%0.03319%0.188CC..  trans-96.8151174.800000110.1I16 E26 L27 V72 V94 L105I16-A66 HydrophobicContact CD1-CB 3.44Å; I16-A66 VanDerWaalsContact CD1-CB 3.44Å; E26-A66 CarbonylContact C-O 3.55Å; E26-A66 WeakPolarHBondContact CA-O 3.26Å; L27-A66 HydrophobicContact CB-CB 4.06Å; L27-A66 WeakPolarHBondContact CB-O 3.33Å; L27-A66 HydrophobicContact CD2-CB 4.07Å; L27-A66 PolarHBondContact N-O 3.06Å; A66-V72 HydrophobicContact CB-CG2 4.2Å; A66-V94 HydrophobicContact CB-CB 4.38Å; A66-V94 HydrophobicContact CB-CG2 3.88Å; A66-L105 HydrophobicContact CB-CD1 3.89Å; A66-L105 HydrophobicContact CB-CD2 4.46Å
67R95Very high93.7Very high110 Ų11037.6 Ų37.642%0.41519%0.189SC..BIsolated β-bridgetrans-123.9159.7-174.9-62.5-170174.4-146.4-5.4113.2I16 G25 E26 G69 Q70I16-R67 VanDerWaalsContact CD1-O 3.22Å; I16-R67 WeakPolarHBondContact CD1-O 3.4Å; G25-R67 WeakPolarHBondContact O-CA 3.34Å; E26-R67 HydrophobicContact CG-CG 4.29Å; E26-R67 IonicContact OE1-CZ 3.33Å; E26-R67 IonicContact OE1-NE 2.85Å; E26-R67 PolarHBondContact OE1-NE 3.46Å; E26-R67 IonicContact OE1-NH2 2.82Å; E26-R67 PolarHBondContact OE1-NH2 2.81Å; R67-G69 PolarHBondContact O-N 3.06Å; R67-Q70 WeakPolarHBondContact O-CB 3.44Å; R67-Q70 PolarHBondContact O-N 2.88Å; R67-Q70 VanDerWaalsContact O-N 3.15Å
68I95.9Very high93.7Very high73 Ų7337.9 Ų37.937%0.37419%0.191SC..THydrogen-bonded Turntrans-49.1136.7173.9-64.6167.3000110.3I16 P18 A21 G25 Q70I16-I68 HydrophobicContact CG2-CG1 4.23Å; P18-I68 HydrophobicContact CB-CD1 4.31Å; P18-I68 HydrophobicContact CG-CD1 4.36Å; P18-I68 HydrophobicContact CG-CG2 4.36Å; A21-I68 HydrophobicContact CB-CD1 3.6Å; A21-I68 HydrophobicContact CB-CG1 3.49Å; A21-I68 VanDerWaalsContact CB-CG1 3.49Å; G25-I68 VanDerWaalsContact CA-CD1 3.49Å; G25-I68 WeakPolarHBondContact O-CG1 3.25Å; G25-I68 PolarHBondContact O-N 3.07Å; I68-Q70 VanDerWaalsContact C-N 3.33Å
69G94.2Very high93.7Very high37 Ų3737.9 Ų37.938%0.38119%0.191SC..THydrogen-bonded Turntrans91.7-19-179.600000114.7I16 R67I16-G69 PolarHBondContact O-N 2.89Å; R67-G69 PolarHBondContact O-N 3.06Å
70Q96.6Very high93.9Very high35 Ų3539.3 Ų39.316%0.16420%0.195CC..  trans-79.5162.7173.2-58.2-178.4-39.900111.6I16 R67 I68 V94 Q95I16-Q70 HydrophobicContact CD1-CB 4.28Å; I16-Q70 PolarHBondContact N-O 3.24Å; R67-Q70 WeakPolarHBondContact O-CB 3.44Å; R67-Q70 PolarHBondContact O-N 2.88Å; R67-Q70 VanDerWaalsContact O-N 3.15Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; Q70-V94 HydrophobicContact CB-CG2 3.67Å; Q70-V94 HydrophobicContact CG-CG2 4.34Å; Q70-Q95 WeakPolarHBondContact CA-O 3.46Å; Q70-Q95 WeakPolarHBondContact CB-O 3.32Å
71I97.1Very high94Very high36 Ų3639.8 Ų39.819%0.18520%0.199CC..EExtended strand (participates in β ladder)trans-107.4125.5174.1-55.3169.3000109.4Q14 V94 Q95 K97Q14-I71 WeakPolarHBondContact O-CA 3.17Å; I71-V94 CarbonylContact O-C 3.49Å; I71-V94 WeakPolarHBondContact O-CA 3.36Å; I71-Q95 PolarHBondContact N-O 2.82Å; I71-Q95 PolarHBondContact O-N 3.34Å; I71-K97 HydrophobicContact CD1-CD 4.04Å; I71-K97 HydrophobicContact CD1-CG 3.85Å; I71-K97 HydrophobicContact CG1-CD 4.2Å; I71-K97 HydrophobicContact CG1-CG 4.04Å
72V97.3Very high94.1Very high1 Ų138 Ų381%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-92.1130.4167.1177.60000109.2S13 Q14 I16 L27 L32 A66 I74 V92 R93 L105S13-V72 CarbonylContact C-O 3.51Å; S13-V72 VanDerWaalsContact CA-O 3.31Å; S13-V72 WeakPolarHBondContact CA-O 3.48Å; Q14-V72 PolarHBondContact N-O 2.97Å; Q14-V72 PolarHBondContact O-N 2.84Å; I16-V72 HydrophobicContact CD1-CG2 3.69Å; I16-V72 HydrophobicContact CG1-CG2 3.99Å; L27-V72 HydrophobicContact CD2-CG2 3.89Å; L32-V72 HydrophobicContact CD1-CG1 4.02Å; A66-V72 HydrophobicContact CB-CG2 4.2Å; V72-I74 HydrophobicContact CG1-CD1 4.41Å; V72-I74 HydrophobicContact CG1-CG1 3.89Å; V72-V92 HydrophobicContact CG1-CG1 3.55Å; V72-R93 CarbonylContact C-O 3.46Å; V72-R93 WeakPolarHBondContact CA-O 3.3Å; V72-L105 HydrophobicContact CG2-CD1 4.34Å
73T97.6Very high94.2Very high27 Ų2740.2 Ų40.217%0.16621%0.207CC..EExtended strand (participates in β ladder)trans-116.7117.3174.1-580000109.2L11 M12 R93L11-T73 HydrophobicContact CD1-CG2 3.47Å; L11-T73 VanDerWaalsContact CD1-CG2 3.47Å; L11-T73 HydrophobicContact CG-CG2 4.34Å; M12-T73 WeakPolarHBondContact O-CA 3.45Å; T73-R93 PolarHBondContact N-O 2.92Å; T73-R93 PolarHBondContact O-N 3.37Å
74I97.9Very high94.6Very high1 Ų137.4 Ų37.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-108122-179.7-51.7179.8000108.2L11 M12 L32 W35 M36 T39 V72 I90 V92L11-I74 WeakPolarHBondContact CA-O 3.34Å; M12-I74 HydrophobicContact CB-CB 4.49Å; M12-I74 PolarHBondContact N-O 3.28Å; M12-I74 PolarHBondContact O-N 2.86Å; L32-I74 HydrophobicContact CD1-CD1 4.2Å; W35-I74 HydrophobicContact CB-CD1 3.43Å; W35-I74 VanDerWaalsContact CB-CD1 3.43Å; M36-I74 HydrophobicContact CG-CD1 4.24Å; T39-I74 HydrophobicContact CG2-CB 4.32Å; T39-I74 HydrophobicContact CG2-CG2 3.91Å; V72-I74 HydrophobicContact CG1-CD1 4.41Å; V72-I74 HydrophobicContact CG1-CG1 3.89Å; I74-I90 HydrophobicContact CG2-CG2 3.68Å; I74-V92 HydrophobicContact CG1-CG1 4.33Å; I74-V92 HydrophobicContact CG1-CG2 4.31Å; I74-V92 HydrophobicContact CG2-CG2 4.34Å
75R96.9Very high95Very high87 Ų8735.1 Ų35.133%0.32819%0.187SC..EExtended strand (participates in β ladder)trans-109.1123.4172.7-71.8-180-172.7-166.22.6109P3 L11 I90 K91P3-R75 VanDerWaalsContact CB-NH2 3.31Å; L11-R75 HydrophobicContact CD1-CG 3.3Å; R75-I90 CarbonylContact O-C 3.51Å; R75-I90 WeakPolarHBondContact O-CA 3.35Å; R75-K91 PolarHBondContact N-O 2.81Å; R75-K91 PolarHBondContact O-N 3.36Å
76A97Very high95.4Very high1 Ų133.2 Ų33.21%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-118.1138.1173.900000111.1E9 V10 T39 A40 A43 I88 S89E9-A76 WeakPolarHBondContact CA-O 3.31Å; V10-A76 PolarHBondContact N-O 2.83Å; V10-A76 PolarHBondContact O-N 3.06Å; T39-A76 HydrophobicContact CG2-CB 3.75Å; A40-A76 HydrophobicContact CB-CB 4.49Å; A43-A76 HydrophobicContact CB-CB 3.96Å; A76-I88 HydrophobicContact CB-CG2 3.94Å; A76-S89 CarbonylContact C-O 3.55Å; A76-S89 VanDerWaalsContact CA-O 3.26Å; A76-S89 WeakPolarHBondContact CA-O 3.43Å
77K94.6Very high95.5Very high28 Ų2833 Ų3312%0.12217%0.174CC..EExtended strand (participates in β ladder)trans-141.9135.8-179.8-173.4-178.5-169.4153.70111.1E9 T79 I88 S89 E134E9-K77 HydrophobicContact CG-CB 3.93Å; E9-K77 HydrophobicContact CG-CD 3.94Å; E9-K77 HydrophobicContact CG-CG 3.77Å; E9-K77 WeakPolarHBondContact OE1-CD 3.17Å; E9-K77 IonicContact OE1-NZ 2.89Å; E9-K77 PolarHBondContact OE1-NZ 2.9Å; K77-T79 PolarHBondContact O-N 2.81Å; K77-I88 CarbonylContact O-C 3.57Å; K77-I88 VanDerWaalsContact O-CA 3.25Å; K77-I88 WeakPolarHBondContact O-CA 3.43Å; K77-S89 PolarHBondContact N-O 3.37Å; K77-S89 PolarHBondContact O-N 2.83Å; K77-E134 WeakPolarHBondContact CE-OE1 3.4Å; K77-E134 IonicContact NZ-OE1 3.17Å; K77-E134 PolarHBondContact NZ-OE1 2.88Å
78V95.7Very high95.6Very high7 Ų727.8 Ų27.84%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-71.6111.6169.4-173.20000109H47 M86 E87 I88 V127H47-V78 HydrophobicContact CB-CG2 3.8Å; V78-M86 HydrophobicContact CG1-CB 4.02Å; V78-M86 HydrophobicContact CG1-CG 4.45Å; V78-M86 HydrophobicContact CG1-SD 3.98Å; V78-M86 HydrophobicContact CG2-SD 3.91Å; V78-E87 WeakPolarHBondContact CA-O 3.47Å; V78-I88 HydrophobicContact CG2-CG1 4.38Å; V78-V127 HydrophobicContact CB-CG2 4.36Å; V78-V127 HydrophobicContact CG1-CG2 3.68Å
79T93.3Very high95.6Very high4 Ų425.4 Ų25.43%0.02514%0.144CC..EExtended strand (participates in β ladder)trans-82.3-35178.253.10000111.3K77 E87 E137K77-T79 PolarHBondContact O-N 2.81Å; T79-E87 PolarHBondContact N-O 2.81Å; T79-E87 WeakPolarHBondContact OG1-CB 3.5Å; T79-E87 WeakPolarHBondContact OG1-CG 3.45Å; T79-E87 PolarHBondContact OG1-O 2.96Å; T79-E87 PolarHBondContact OG1-OE1 3.45Å; T79-E137 HydrophobicContact CG2-CB 4.41Å
80R94.6Very high95.7Very high52 Ų5223.7 Ų23.720%0.19613%0.126CC..EExtended strand (participates in β ladder)trans-157.9131.8178.3-176.6161.4-176.4177-6.7112.5F82 M86 E87 H138 A141 S142R80-F82 HydrophobicContact CB-CZ 4.4Å; R80-F82 HydrophobicContact CG-CD1 4.32Å; R80-F82 HydrophobicContact CG-CE1 3.98Å; R80-F82 HydrophobicContact CG-CE2 4.26Å; R80-F82 HydrophobicContact CG-CZ 3.93Å; R80-M86 CarbonylContact O-C 3.59Å; R80-M86 VanDerWaalsContact O-CA 3.23Å; R80-M86 WeakPolarHBondContact O-CA 3.39Å; R80-M86 WeakPolarHBondContact O-CB 3.35Å; R80-E87 PolarHBondContact O-N 3.16Å; R80-H138 WeakPolarHBondContact CD-NE2 3.21Å; R80-H138 WeakPolarHBondContact CD-O 3.5Å; R80-H138 PolarHBondContact NE-NE2 2.83Å; R80-H138 PolarHBondContact NH1-O 2.96Å; R80-A141 HydrophobicContact CB-CB 3.66Å; R80-A141 HydrophobicContact CG-CB 4.47Å; R80-S142 PolarHBondContact NH1-OG 3.32Å; R80-S142 PolarHBondContact NH2-OG 2.76Å
81A95.5Very high95.6Very high12 Ų1226 Ų2610%0.09914%0.136CC..EExtended strand (participates in β ladder)trans-94.6136.4164.800000110.4M86 L124 K125 V127A81-M86 HydrophobicContact CB-CB 4.34Å; A81-L124 HydrophobicContact CB-CB 3.93Å; A81-L124 HydrophobicContact CB-CD1 4.29Å; A81-K125 WeakPolarHBondContact CB-O 3.39Å; A81-V127 HydrophobicContact CB-CG2 4.16Å
82F93.7Very high95.6Very high32 Ų3224.3 Ų24.314%0.1413%0.127CC..  trans-104.1-131.8174-58.1-80.3000109.3R80 S85 E87 R145R80-F82 HydrophobicContact CB-CZ 4.4Å; R80-F82 HydrophobicContact CG-CD1 4.32Å; R80-F82 HydrophobicContact CG-CE1 3.98Å; R80-F82 HydrophobicContact CG-CE2 4.26Å; R80-F82 HydrophobicContact CG-CZ 3.93Å; F82-S85 WeakPolarHBondContact CA-O 3.2Å; F82-S85 WeakPolarHBondContact CB-O 3.3Å; F82-S85 PolarHBondContact N-O 2.9Å; F82-E87 HydrophobicContact CE2-CB 4.47Å; F82-R145 HydrophobicContact CZ-CB 4.09Å; F82-R145 VanDerWaalsContact CZ-CD 3.44Å; F82-R145 HydrophobicContact CZ-CG 4.36Å
83S92.9Very high95.6Very high71 Ų7128.5 Ų28.550%0.49714%0.143SC..SBendtrans-82-70176.6174.40000110.9L124S83-L124 PolarHBondContact O-N 3.04Å
84T93Very high95.5Very high66 Ų6627.5 Ų27.541%0.40514%0.136SC..SBendtrans-111.2-11.9177.758.30000113.3V113 V114T84-V113 WeakPolarHBondContact O-CA 3.4Å; T84-V114 PolarHBondContact O-N 3.14Å
85S95.2Very high95.4Very high14 Ų1430.2 Ų30.210%0.09815%0.149CC..EExtended strand (participates in β ladder)trans-110154.1-17965.60000111.1F82 F112 L124F82-S85 WeakPolarHBondContact CA-O 3.2Å; F82-S85 WeakPolarHBondContact CB-O 3.3Å; F82-S85 PolarHBondContact N-O 2.9Å; S85-F112 CarbonylContact C-O 3.59Å; S85-F112 WeakPolarHBondContact CA-O 3.48Å; S85-L124 WeakPolarHBondContact O-CD1 3.45Å
86M96.2Very high95.2Very high0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-139.1147.4170.857.7-179.895.600110.8A44 H47 A48 V78 R80 A81 I88 T111 F112 V114 L124A44-M86 VanDerWaalsContact CA-SD 3.55Å; A44-M86 HydrophobicContact CB-CE 4.38Å; A44-M86 HydrophobicContact CB-CG 4.36Å; A44-M86 HydrophobicContact CB-SD 3.72Å; H47-M86 HydrophobicContact CB-SD 4.23Å; A48-M86 HydrophobicContact CB-CE 3.8Å; V78-M86 HydrophobicContact CG1-CB 4.02Å; V78-M86 HydrophobicContact CG1-CG 4.45Å; V78-M86 HydrophobicContact CG1-SD 3.98Å; V78-M86 HydrophobicContact CG2-SD 3.91Å; R80-M86 CarbonylContact O-C 3.59Å; R80-M86 VanDerWaalsContact O-CA 3.23Å; R80-M86 WeakPolarHBondContact O-CA 3.39Å; R80-M86 WeakPolarHBondContact O-CB 3.35Å; A81-M86 HydrophobicContact CB-CB 4.34Å; M86-I88 HydrophobicContact CB-CD1 4.46Å; M86-I88 HydrophobicContact CG-CD1 3.7Å; M86-I88 WeakPolarHBondContact O-CD1 3.34Å; M86-I88 HydrophobicContact SD-CD1 4.41Å; M86-T111 WeakPolarHBondContact O-CA 3.29Å; M86-F112 HydrophobicContact CG-CB 4.41Å; M86-F112 PolarHBondContact N-O 3.16Å; M86-F112 PolarHBondContact O-N 2.82Å; M86-V114 HydrophobicContact CE-CG1 4.29Å; M86-L124 HydrophobicContact CB-CD1 4.23Å; M86-L124 HydrophobicContact CE-CD1 3.69Å; M86-L124 HydrophobicContact CE-CD2 3.41Å; M86-L124 VanDerWaalsContact CE-CD2 3.41Å; M86-L124 HydrophobicContact CE-CG 4.18Å
87E96.3Very high94.7Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-91.8134.5171.7-176.1-17190.800109.6V78 T79 R80 F82 F109 S110 A141 R144 R148V78-E87 WeakPolarHBondContact CA-O 3.47Å; T79-E87 PolarHBondContact N-O 2.81Å; T79-E87 WeakPolarHBondContact OG1-CB 3.5Å; T79-E87 WeakPolarHBondContact OG1-CG 3.45Å; T79-E87 PolarHBondContact OG1-O 2.96Å; T79-E87 PolarHBondContact OG1-OE1 3.45Å; R80-E87 PolarHBondContact O-N 3.16Å; F82-E87 HydrophobicContact CE2-CB 4.47Å; E87-F109 HydrophobicContact CG-CB 4.5Å; E87-F109 HydrophobicContact CG-CD1 4.25Å; E87-S110 WeakPolarHBondContact CA-O 3.29Å; E87-A141 HydrophobicContact CB-CB 4.48Å; E87-A141 WeakPolarHBondContact OE1-CA 3.39Å; E87-A141 WeakPolarHBondContact OE1-CB 3.44Å; E87-A141 WeakPolarHBondContact OE2-CA 3.38Å; E87-R144 IonicContact OE1-CZ 2.69Å; E87-R144 IonicContact OE1-NE 2.67Å; E87-R144 PolarHBondContact OE1-NE 3.07Å; E87-R144 VanDerWaalsContact OE1-NE 3.17Å; E87-R144 IonicContact OE1-NH2 3.17Å; E87-R144 PolarHBondContact OE1-NH2 3.28Å; E87-R144 IonicContact OE2-CZ 3.88Å; E87-R144 IonicContact OE2-NE 3.34Å; E87-R144 PolarHBondContact OE2-NE 2.94Å; E87-R144 IonicContact OE2-NH2 2.99Å; E87-R148 IonicContact OE2-CZ 3.28Å; E87-R148 IonicContact OE2-NH1 2.64Å; E87-R148 PolarHBondContact OE2-NH1 3.04Å; E87-R148 IonicContact OE2-NH2 3.88Å; E87-R148 PolarHBondContact OE2-NH2 3.43Å
88I96.7Very high94.4Very high0 Ų041.6 Ų41.60%020%0.203CC..EExtended strand (participates in β ladder)trans-118126.1177.2-61.268.6000107.3A40 A43 A44 A76 K77 V78 M86 I90 F109 S110 F112A40-I88 HydrophobicContact CB-CB 4.35Å; A40-I88 HydrophobicContact CB-CG2 3.82Å; A43-I88 HydrophobicContact CB-CG2 4.47Å; A44-I88 HydrophobicContact CB-CD1 4.2Å; A44-I88 HydrophobicContact CB-CG1 4.38Å; A76-I88 HydrophobicContact CB-CG2 3.94Å; K77-I88 CarbonylContact O-C 3.57Å; K77-I88 VanDerWaalsContact O-CA 3.25Å; K77-I88 WeakPolarHBondContact O-CA 3.43Å; V78-I88 HydrophobicContact CG2-CG1 4.38Å; M86-I88 HydrophobicContact CB-CD1 4.46Å; M86-I88 HydrophobicContact CG-CD1 3.7Å; M86-I88 WeakPolarHBondContact O-CD1 3.34Å; M86-I88 HydrophobicContact SD-CD1 4.41Å; I88-I90 HydrophobicContact CG2-CG1 4.22Å; I88-F109 CarbonylContact O-C 3.52Å; I88-F109 VanDerWaalsContact O-CA 3.29Å; I88-F109 WeakPolarHBondContact O-CA 3.36Å; I88-S110 PolarHBondContact N-O 3.23Å; I88-S110 PolarHBondContact O-N 3.07Å; I88-F112 HydrophobicContact CD1-CB 3.99Å; I88-F112 HydrophobicContact CD1-CD2 3.61Å; I88-F112 HydrophobicContact CD1-CG 4.19Å; I88-F112 HydrophobicContact CG1-CD2 4.19Å
89S95.1Very high94.3Very high22 Ų2245.5 Ų45.515%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-85.2142.1165.272.50000109.8A76 K77A76-S89 CarbonylContact C-O 3.55Å; A76-S89 VanDerWaalsContact CA-O 3.26Å; A76-S89 WeakPolarHBondContact CA-O 3.43Å; K77-S89 PolarHBondContact N-O 3.37Å; K77-S89 PolarHBondContact O-N 2.83Å
90I96.2Very high94.1Very high1 Ų147.2 Ų47.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-128.1124.7-179.9-52.8170000107.3M36 A40 M57 I74 R75 I88 V92 V107 A108M36-I90 HydrophobicContact CB-CD1 4.34Å; M36-I90 HydrophobicContact CB-CG2 4.26Å; M36-I90 HydrophobicContact CE-CD1 4.5Å; M36-I90 HydrophobicContact CE-CG2 4.08Å; M36-I90 HydrophobicContact CG-CG2 4.12Å; A40-I90 HydrophobicContact CB-CD1 3.67Å; A40-I90 HydrophobicContact CB-CG1 4.05Å; M57-I90 HydrophobicContact CE-CD1 4.34Å; I74-I90 HydrophobicContact CG2-CG2 3.68Å; R75-I90 CarbonylContact O-C 3.51Å; R75-I90 WeakPolarHBondContact O-CA 3.35Å; I88-I90 HydrophobicContact CG2-CG1 4.22Å; I90-V92 HydrophobicContact CG2-CG2 4.16Å; I90-V107 CarbonylContact O-C 3.57Å; I90-V107 WeakPolarHBondContact O-CA 3.3Å; I90-A108 HydrophobicContact CB-CB 4.36Å; I90-A108 PolarHBondContact N-O 3.03Å; I90-A108 PolarHBondContact O-N 2.87Å
91K95.6Very high93.9Very high85 Ų8549.5 Ų49.537%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-121.5120.5175.9-175.5170.4-171.11670109.5R75 L104 V107R75-K91 PolarHBondContact N-O 2.81Å; R75-K91 PolarHBondContact O-N 3.36Å; K91-L104 HydrophobicContact CD-CD1 4.41Å; K91-L104 HydrophobicContact CG-CD1 3.86Å; K91-V107 HydrophobicContact CG-CG2 4.3Å
92V96.6Very high93.7Very high0 Ų053.9 Ų53.90%028%0.279CS..EExtended strand (participates in β ladder)trans-109.8125.6-177.6-173.50000109.3L32 M36 V72 I74 I90 L104 L105 C106L32-V92 HydrophobicContact CD1-CG1 3.93Å; M36-V92 HydrophobicContact CE-CG2 4.31Å; M36-V92 HydrophobicContact CG-CG2 3.86Å; M36-V92 HydrophobicContact SD-CG2 4.02Å; V72-V92 HydrophobicContact CG1-CG1 3.55Å; I74-V92 HydrophobicContact CG1-CG1 4.33Å; I74-V92 HydrophobicContact CG1-CG2 4.31Å; I74-V92 HydrophobicContact CG2-CG2 4.34Å; I90-V92 HydrophobicContact CG2-CG2 4.16Å; V92-L104 WeakPolarHBondContact O-CD1 3.42Å; V92-L105 HydrophobicContact CB-CB 4.25Å; V92-L105 HydrophobicContact CG1-CB 4Å; V92-L105 HydrophobicContact CG1-CD1 3.84Å; V92-L105 HydrophobicContact CG1-CG 4.39Å; V92-L105 PolarHBondContact O-N 3.08Å; V92-C106 VanDerWaalsContact CG2-SG 3.51Å; V92-C106 PolarHBondContact N-O 3.16Å; V92-C106 PolarHBondContact O-N 3.17Å
93R96.3Very high93.6Very high89 Ų8957.4 Ų57.434%0.33629%0.294SS..EExtended strand (participates in β ladder)trans-120.6146.9172.2-71.8-179.4168.3170.6-4.2110.2V72 T73 K103 L104V72-R93 CarbonylContact C-O 3.46Å; V72-R93 WeakPolarHBondContact CA-O 3.3Å; T73-R93 PolarHBondContact N-O 2.92Å; T73-R93 PolarHBondContact O-N 3.37Å; R93-K103 CarbonylContact C-O 3.52Å; R93-K103 VanDerWaalsContact CA-O 3.25Å; R93-K103 WeakPolarHBondContact CA-O 3.43Å; R93-K103 WeakPolarHBondContact CB-O 3.35Å; R93-L104 HydrophobicContact CG-CD1 4.3Å
94V95.8Very high93.6Very high6 Ų656.5 Ų56.54%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-110.4140.8168.665.10000109.4A66 Q70 I71 Q102 K103 L105A66-V94 HydrophobicContact CB-CB 4.38Å; A66-V94 HydrophobicContact CB-CG2 3.88Å; Q70-V94 HydrophobicContact CB-CG2 3.67Å; Q70-V94 HydrophobicContact CG-CG2 4.34Å; I71-V94 CarbonylContact O-C 3.49Å; I71-V94 WeakPolarHBondContact O-CA 3.36Å; V94-Q102 CarbonylContact O-C 3.54Å; V94-Q102 VanDerWaalsContact O-CA 3.3Å; V94-Q102 WeakPolarHBondContact O-CA 3.48Å; V94-K103 HydrophobicContact CG1-CB 3.92Å; V94-K103 PolarHBondContact N-O 3.15Å; V94-K103 PolarHBondContact O-N 3.36Å; V94-L105 HydrophobicContact CB-CD1 3.9Å; V94-L105 HydrophobicContact CB-CD2 4.03Å; V94-L105 HydrophobicContact CB-CG 3.83Å; V94-L105 HydrophobicContact CG1-CD1 4.35Å; V94-L105 HydrophobicContact CG1-CD2 3.54Å; V94-L105 HydrophobicContact CG1-CG 3.78Å
95Q95.6Very high93.5Very high57 Ų5753.4 Ų53.427%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-123.2127.6173.4-177172.1600109.8Q70 I71 I101 Q102Q70-Q95 WeakPolarHBondContact CA-O 3.46Å; Q70-Q95 WeakPolarHBondContact CB-O 3.32Å; I71-Q95 PolarHBondContact N-O 2.82Å; I71-Q95 PolarHBondContact O-N 3.34Å; Q95-I101 WeakPolarHBondContact CA-O 2.98Å; Q95-Q102 HydrophobicContact CB-CG 3.91Å; Q95-Q102 HydrophobicContact CG-CG 3.78Å
96D93.1Very high93.4Very high39 Ų3952.8 Ų52.821%0.20926%0.26CS..  trans-82.3122.8166.3-174.3-75.9000109.4F98 T99 G100 I101D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 PolarHBondContact OD1-N 2.87Å; D96-T99 VanDerWaalsContact CB-OG1 3.31Å; D96-T99 WeakPolarHBondContact CB-OG1 3.29Å; D96-T99 PolarHBondContact OD1-N 3.39Å; D96-T99 PolarHBondContact OD1-OG1 2.89Å; D96-T99 VanDerWaalsContact OD1-OG1 3.04Å; D96-G100 WeakPolarHBondContact O-CA 3.15Å; D96-G100 PolarHBondContact O-N 3.45Å; D96-I101 PolarHBondContact N-O 2.86Å
97K87.5Confident93.2Very high127 Ų12755.6 Ų55.655%0.55228%0.277SS*.THydrogen-bonded Turntrans-71.5-27.6-176-75-173.3174.7-176.60113.3I71I71-K97 HydrophobicContact CD1-CD 4.04Å; I71-K97 HydrophobicContact CD1-CG 3.85Å; I71-K97 HydrophobicContact CG1-CD 4.2Å; I71-K97 HydrophobicContact CG1-CG 4.04Å
98F88.2Confident93.1Very high190 Ų19055.6 Ų55.683%0.83328%0.277SS*.THydrogen-bonded Turntrans-84.1-42-174.4-63.8-77.4000111.3D96D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 PolarHBondContact OD1-N 2.87Å
99T92.2Very high93Very high89 Ų8956.5 Ų56.555%0.54628%0.281SS..THydrogen-bonded Turntrans-90.5-20.3179.363.80000113D96 I101D96-T99 VanDerWaalsContact CB-OG1 3.31Å; D96-T99 WeakPolarHBondContact CB-OG1 3.29Å; D96-T99 PolarHBondContact OD1-N 3.39Å; D96-T99 PolarHBondContact OD1-OG1 2.89Å; D96-T99 VanDerWaalsContact OD1-OG1 3.04Å; T99-I101 PolarHBondContact O-N 3.36Å; T99-I101 PolarHBondContact OG1-N 2.68Å
100G89.1Confident93.1Very high40 Ų4055.5 Ų55.541%0.41227%0.274SS..  trans74.2-1.8-173.400000114.2D96 Q102D96-G100 WeakPolarHBondContact O-CA 3.15Å; D96-G100 PolarHBondContact O-N 3.45Å; G100-Q102 PolarHBondContact O-N 3.46Å
101I91.4Very high93.2Very high99 Ų9956.1 Ų56.151%0.50828%0.278SS..  trans-66.6132.1-178.1-63.3172.2000109.6Q95 D96 T99 K103Q95-I101 WeakPolarHBondContact CA-O 2.98Å; D96-I101 PolarHBondContact N-O 2.86Å; T99-I101 PolarHBondContact O-N 3.36Å; T99-I101 PolarHBondContact OG1-N 2.68Å; I101-K103 HydrophobicContact CG2-CG 4.27Å
102Q92.2Very high93.2Very high105 Ų10552.1 Ų52.149%0.49126%0.26SS..EExtended strand (participates in β ladder)trans-111.2132.4172.5-67.8-167.7-15.100110.4V94 Q95 G100V94-Q102 CarbonylContact O-C 3.54Å; V94-Q102 VanDerWaalsContact O-CA 3.3Å; V94-Q102 WeakPolarHBondContact O-CA 3.48Å; Q95-Q102 HydrophobicContact CB-CG 3.91Å; Q95-Q102 HydrophobicContact CG-CG 3.78Å; G100-Q102 PolarHBondContact O-N 3.46Å
103K90.9Very high93.1Very high106 Ų10653.9 Ų53.946%0.46127%0.271SS..EExtended strand (participates in β ladder)trans-120.9149.9174.1-58.6-173.7-172-178.70110.9D64 R93 V94 I101D64-K103 WeakPolarHBondContact OD2-CD 3.36Å; D64-K103 IonicContact OD2-NZ 2.66Å; D64-K103 PolarHBondContact OD2-NZ 2.76Å; R93-K103 CarbonylContact C-O 3.52Å; R93-K103 VanDerWaalsContact CA-O 3.25Å; R93-K103 WeakPolarHBondContact CA-O 3.43Å; R93-K103 WeakPolarHBondContact CB-O 3.35Å; V94-K103 HydrophobicContact CG1-CB 3.92Å; V94-K103 PolarHBondContact N-O 3.15Å; V94-K103 PolarHBondContact O-N 3.36Å; I101-K103 HydrophobicContact CG2-CG 4.27Å
104L91.7Very high93Very high51 Ų5150 Ų5027%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-76.8128.8166-175.967.8000107.4K91 V92 R93 V107K91-L104 HydrophobicContact CD-CD1 4.41Å; K91-L104 HydrophobicContact CG-CD1 3.86Å; V92-L104 WeakPolarHBondContact O-CD1 3.42Å; R93-L104 HydrophobicContact CG-CD1 4.3Å; L104-V107 HydrophobicContact CD1-CG2 4.06Å; L104-V107 HydrophobicContact CD2-CG2 4.12Å
105L92Very high92.7Very high2 Ų254.2 Ų54.21%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-92.8-48.8173.2-72.3-175.2000110.7L32 E63 D64 A66 V72 V92 V94L32-L105 HydrophobicContact CD2-CD1 4.38Å; E63-L105 PolarHBondContact N-O 3.42Å; D64-L105 HydrophobicContact CB-CD2 4.01Å; A66-L105 HydrophobicContact CB-CD1 3.89Å; A66-L105 HydrophobicContact CB-CD2 4.46Å; V72-L105 HydrophobicContact CG2-CD1 4.34Å; V92-L105 HydrophobicContact CB-CB 4.25Å; V92-L105 HydrophobicContact CG1-CB 4Å; V92-L105 HydrophobicContact CG1-CD1 3.84Å; V92-L105 HydrophobicContact CG1-CG 4.39Å; V92-L105 PolarHBondContact O-N 3.08Å; V94-L105 HydrophobicContact CB-CD1 3.9Å; V94-L105 HydrophobicContact CB-CD2 4.03Å; V94-L105 HydrophobicContact CB-CG 3.83Å; V94-L105 HydrophobicContact CG1-CD1 4.35Å; V94-L105 HydrophobicContact CG1-CD2 3.54Å; V94-L105 HydrophobicContact CG1-CG 3.78Å
106C92.3Very high92.2Very high0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-161.4160.4177.765.30000112.1I60 L61 F62 V92I60-C106 HydrophobicContact CG2-CB 4.31Å; L61-C106 WeakPolarHBondContact O-CB 3.29Å; F62-C106 HydrophobicContact CD1-CB 4.17Å; V92-C106 VanDerWaalsContact CG2-SG 3.51Å; V92-C106 PolarHBondContact N-O 3.16Å; V92-C106 PolarHBondContact O-N 3.17Å
107V92.3Very high91.4Very high59 Ų5958.8 Ų58.836%0.35830%0.303SS..EExtended strand (participates in β ladder)trans-122.1129.5163.6179.10000107.1I90 K91 L104 F109I90-V107 CarbonylContact O-C 3.57Å; I90-V107 WeakPolarHBondContact O-CA 3.3Å; K91-V107 HydrophobicContact CG-CG2 4.3Å; L104-V107 HydrophobicContact CD1-CG2 4.06Å; L104-V107 HydrophobicContact CD2-CG2 4.12Å; V107-F109 HydrophobicContact CG1-CE2 4.43Å
108A94.2Very high90.9Very high0 Ų055.8 Ų55.80%031%0.308CS..EExtended strand (participates in β ladder)trans-135.1162.4-177.900000110.8M36 I60 I90M36-A108 HydrophobicContact CE-CB 3.51Å; I60-A108 HydrophobicContact CD1-CB 4.26Å; I60-A108 HydrophobicContact CG1-CB 3.89Å; I60-A108 HydrophobicContact CG2-CB 4.34Å; I90-A108 HydrophobicContact CB-CB 4.36Å; I90-A108 PolarHBondContact N-O 3.03Å; I90-A108 PolarHBondContact O-N 2.87Å
109F95Very high90.2Very high20 Ų2057 Ų579%0.08831%0.313CS..EExtended strand (participates in β ladder)trans-126.4139.2171.3-61.4-88.9000109.6D58 E87 I88 V107 R144D58-F109 HydrophobicContact CB-CB 4.07Å; D58-F109 WeakPolarHBondContact CB-O 3.46Å; D58-F109 PolarHBondContact N-O 3.11Å; E87-F109 HydrophobicContact CG-CB 4.5Å; E87-F109 HydrophobicContact CG-CD1 4.25Å; I88-F109 CarbonylContact O-C 3.52Å; I88-F109 VanDerWaalsContact O-CA 3.29Å; I88-F109 WeakPolarHBondContact O-CA 3.36Å; V107-F109 HydrophobicContact CG1-CE2 4.43Å; F109-R144 VanDerWaalsContact CE1-CZ 3.45Å
110S97Very high89.5Confident0 Ų060.4 Ų60.40%032%0.323CS..EExtended strand (participates in β ladder)trans-125.4148.1176.8-168.10000109.9S56 M57 E87 I88 F112S56-S110 PolarHBondContact O-OG 3.18Å; M57-S110 WeakPolarHBondContact SD-CB 3.3Å; M57-S110 PolarHBondContact SD-OG 3.5Å; E87-S110 WeakPolarHBondContact CA-O 3.29Å; I88-S110 PolarHBondContact N-O 3.23Å; I88-S110 PolarHBondContact O-N 3.07Å; S110-F112 WeakPolarHBondContact OG-CE2 3.01Å
111T97.4Very high89.1Confident15 Ų1567.2 Ų67.29%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-111124170.5-58.10000109.4A55 S56 M86A55-T111 HydrophobicContact CB-CG2 4.41Å; A55-T111 WeakPolarHBondContact CB-O 3.31Å; A55-T111 PolarHBondContact N-O 3.08Å; S56-T111 PolarHBondContact N-O 3.16Å; S56-T111 PolarHBondContact O-N 2.59Å; S56-T111 WeakPolarHBondContact OG-CB 3.29Å; S56-T111 PolarHBondContact OG-OG1 3.18Å; M86-T111 WeakPolarHBondContact O-CA 3.29Å
112F96.7Very high88.7Confident0 Ų064.5 Ų64.50%033%0.329CS..EExtended strand (participates in β ladder)trans-109.1149.6173.1-78.7-103.1000110.5D37 A40 C41 A44 C52 V53 T54 S85 M86 I88 S110D37-F112 WeakPolarHBondContact OD1-CZ 3.28Å; A40-F112 HydrophobicContact CB-CD2 4.44Å; A40-F112 HydrophobicContact CB-CE2 3.5Å; A40-F112 HydrophobicContact CB-CZ 3.96Å; C41-F112 VanDerWaalsContact CA-CE1 3.47Å; C41-F112 HydrophobicContact CB-CD1 4.34Å; C41-F112 HydrophobicContact CB-CE1 3.48Å; C41-F112 VanDerWaalsContact CB-CE1 3.48Å; C41-F112 HydrophobicContact CB-CZ 3.83Å; A44-F112 HydrophobicContact CB-CB 3.76Å; A44-F112 HydrophobicContact CB-CD1 4.26Å; A44-F112 HydrophobicContact CB-CD2 4.43Å; A44-F112 HydrophobicContact CB-CG 3.89Å; C52-F112 HydrophobicContact CB-CB 4.3Å; C52-F112 HydrophobicContact CB-CD1 4.03Å; V53-F112 VanDerWaalsContact C-CD1 3.5Å; V53-F112 WeakPolarHBondContact O-CA 3.33Å; T54-F112 HydrophobicContact CG2-CE2 4.4Å; T54-F112 HydrophobicContact CG2-CZ 4.19Å; T54-F112 WeakPolarHBondContact OG1-CE1 3.3Å; S85-F112 CarbonylContact C-O 3.59Å; S85-F112 WeakPolarHBondContact CA-O 3.48Å; M86-F112 HydrophobicContact CG-CB 4.41Å; M86-F112 PolarHBondContact N-O 3.16Å; M86-F112 PolarHBondContact O-N 2.82Å; I88-F112 HydrophobicContact CD1-CB 3.99Å; I88-F112 HydrophobicContact CD1-CD2 3.61Å; I88-F112 HydrophobicContact CD1-CG 4.19Å; I88-F112 HydrophobicContact CG1-CD2 4.19Å; S110-F112 WeakPolarHBondContact OG-CE2 3.01Å
113V94.8Very high88.3Confident38 Ų3866 Ų6623%0.2334%0.336CS..EExtended strand (participates in β ladder)trans-122.3137.1175.61740000109.2C52 V53 A55 T84C52-V113 WeakPolarHBondContact CA-O 3.19Å; V53-V113 PolarHBondContact N-O 3.02Å; V53-V113 PolarHBondContact O-N 2.68Å; A55-V113 HydrophobicContact CB-CB 4.44Å; A55-V113 HydrophobicContact CB-CG2 3.64Å; T84-V113 WeakPolarHBondContact O-CA 3.4Å
114V93.7Very high88.4Confident8 Ų861.8 Ų61.85%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-68140.5176.3-640000112A48 I50 T84 M86 V122 L124A48-V114 HydrophobicContact CB-CG1 3.72Å; I50-V114 HydrophobicContact CD1-CB 3.67Å; I50-V114 HydrophobicContact CD1-CG1 4.1Å; I50-V114 HydrophobicContact CD1-CG2 4.33Å; I50-V114 HydrophobicContact CG1-CB 4.24Å; I50-V114 HydrophobicContact CG1-CG1 4.21Å; T84-V114 PolarHBondContact O-N 3.14Å; M86-V114 HydrophobicContact CE-CG1 4.29Å; V114-V122 HydrophobicContact CG2-CB 4.31Å; V114-L124 HydrophobicContact CG1-CD1 4.37Å; V114-L124 HydrophobicContact CG1-CD2 3.58Å; V114-L124 HydrophobicContact CG1-CG 4.18Å
115K89.5Confident88.4Confident94 Ų9467.2 Ų67.241%0.40934%0.34SS..  trans-122.788.2173.5-74-68.8-173.1173.40109S51 V53S51-K115 PolarHBondContact O-N 2.94Å; V53-K115 HydrophobicContact CB-CG 4.36Å; V53-K115 HydrophobicContact CG1-CG 3.84Å; V53-K115 HydrophobicContact CG2-CD 4.33Å; V53-K115 HydrophobicContact CG2-CG 3.64Å
116P84.7Confident88.4Confident45 Ų4572.3 Ų72.329%0.29237%0.373SS..  trans-65.8148.7178.225.7-31.4000111.4I50 G118 E120 V122I50-P116 HydrophobicContact CD1-CB 4.12Å; P116-G118 PolarHBondContact O-N 3.12Å; P116-G118 VanDerWaalsContact O-N 3.1Å; P116-E120 VanDerWaalsContact CG-O 3.28Å; P116-E120 WeakPolarHBondContact CG-O 3.11Å; P116-V122 HydrophobicContact CB-CG2 3.74Å; P116-V122 HydrophobicContact CG-CG2 4.21Å
117L76.2Confident88.4Confident147 Ų14773.5 Ų73.577%0.7738%0.38SS*.SBendtrans-70.697.4166.9-79.2165.1000108.5H198L117-H198 WeakPolarHBondContact CD2-CD2 3.36Å; L117-H198 VanDerWaalsContact CD2-NE2 3.33Å; L117-H198 WeakPolarHBondContact CD2-NE2 3.46Å; L117-H198 WeakPolarHBondContact CG-NE2 3.46Å
118G76.9Confident88.3Confident64 Ų6477.8 Ų77.866%0.6640%0.4SS*.SBendtrans112.2-160.1177.700000114.4P116P116-G118 PolarHBondContact O-N 3.12Å; P116-G118 VanDerWaalsContact O-N 3.1Å
119K74.9Confident88.1Confident216 Ų21680.9 Ų80.994%0.93942%0.416SS*.SBendtrans-93.8-1.6-173.8-67.6-174.4179.2179.60114.3
120E77.6Confident87.8Confident159 Ų15986.6 Ų86.674%0.74344%0.443SS*.  trans-70.9135.4-175.6-65.7-169.9171.500111.9P116 V122P116-E120 VanDerWaalsContact CG-O 3.28Å; P116-E120 WeakPolarHBondContact CG-O 3.11Å; E120-V122 PolarHBondContact O-N 2.92Å
121K79.1Confident87.3Confident184 Ų18489.8 Ų89.880%0.846%0.463SS*.  trans-79.2115.3173.9-72.7-174.4178.4179.50109.5
122V82.9Confident86.8Confident41 Ų4196.4 Ų96.425%0.24849%0.493CS..  trans-90.3131.2173.9178.60000110.1I50 V114 P116 E120I50-V122 HydrophobicContact CD1-CB 4.05Å; I50-V122 HydrophobicContact CD1-CG1 3.93Å; I50-V122 HydrophobicContact CD1-CG2 3.82Å; V114-V122 HydrophobicContact CG2-CB 4.31Å; P116-V122 HydrophobicContact CB-CG2 3.74Å; P116-V122 HydrophobicContact CG-CG2 4.21Å; E120-V122 PolarHBondContact O-N 2.92Å
123H84.5Confident86.1Confident138 Ų138101.9 Ų101.964%0.63952%0.518SS*.  trans-106.1123.1173.1-68.380.5000109
124L92.4Very high85.8Confident17 Ų17101.1 Ų101.19%0.08951%0.512CS..PPolyproline II helixtrans-71.1138.4179.2-68.6169.5000111.1A48 A81 S83 S85 M86 V114A48-L124 HydrophobicContact CB-CD2 3.8Å; A81-L124 HydrophobicContact CB-CB 3.93Å; A81-L124 HydrophobicContact CB-CD1 4.29Å; S83-L124 PolarHBondContact O-N 3.04Å; S85-L124 WeakPolarHBondContact O-CD1 3.45Å; M86-L124 HydrophobicContact CB-CD1 4.23Å; M86-L124 HydrophobicContact CE-CD1 3.69Å; M86-L124 HydrophobicContact CE-CD2 3.41Å; M86-L124 VanDerWaalsContact CE-CD2 3.41Å; M86-L124 HydrophobicContact CE-CG 4.18Å; V114-L124 HydrophobicContact CG1-CD1 4.37Å; V114-L124 HydrophobicContact CG1-CD2 3.58Å; V114-L124 HydrophobicContact CG1-CG 4.18Å
125K92.2Very high85.5Confident165 Ų165105 Ų10572%0.71753%0.53SS*.PPolyproline II helixtrans-66.1141.4170.6-65.2178.2-176.9174.50109.3H47 A81H47-K125 PolarHBondContact CE1-O 3.19Å; H47-K125 PolarHBondContact NE2-O 2.76Å; A81-K125 WeakPolarHBondContact CB-O 3.39Å
126P92.9Very high85.3Confident108 Ų108102.5 Ų102.570%0.70152%0.522SS*.PPolyproline II helixtrans-56.6147.6170-23.533.8000111.3
127V92.1Very high85.3Confident25 Ų25102.5 Ų102.515%0.15252%0.518CS..PPolyproline II helixtrans-72.3132.2174.4179.50000108.6V78 A81 L129V78-V127 HydrophobicContact CB-CG2 4.36Å; V78-V127 HydrophobicContact CG1-CG2 3.68Å; A81-V127 HydrophobicContact CB-CG2 4.16Å; V127-L129 HydrophobicContact CG1-CD2 4.28Å; V127-L129 PolarHBondContact O-N 2.85Å
128L90Very high86Confident150 Ų15097.6 Ų97.679%0.78549%0.492SS*.PPolyproline II helixtrans-72.3122.4174.1-68.1169.8000109.2
129L90.1Very high86.5Confident64 Ų64101.1 Ų101.134%0.33549%0.485SS..  trans-103.7115.9-179.3-51.3176000108.9V127 E134 Q135 H138V127-L129 HydrophobicContact CG1-CD2 4.28Å; V127-L129 PolarHBondContact O-N 2.85Å; L129-E134 HydrophobicContact CD2-CB 4.13Å; L129-Q135 HydrophobicContact CB-CG 4.2Å; L129-Q135 HydrophobicContact CD1-CG 4.32Å; L129-H138 HydrophobicContact CD1-CB 3.99Å; L129-H138 HydrophobicContact CD2-CB 3.88Å
130Q87.7Confident87Confident141 Ų14193.4 Ų93.466%0.65945%0.454SS*.  trans-107.5-34.5-177.5-62.2-177-18.500112.3E134Q130-E134 WeakPolarHBondContact CA-OE2 3.28Å; Q130-E134 PolarHBondContact N-OE2 2.58Å
131T88Confident87.6Confident67 Ų6785.8 Ų85.841%0.41142%0.418SS..SBendtrans-110.4156.5-175.5660000112.3Q133 E134 Q135T131-Q133 PolarHBondContact O-N 3.17Å; T131-E134 PolarHBondContact N-OE2 2.91Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 VanDerWaalsContact OG1-CG 3.23Å; T131-E134 WeakPolarHBondContact OG1-CG 3.33Å; T131-E134 PolarHBondContact OG1-N 3.09Å; T131-E134 PolarHBondContact OG1-OE2 2.86Å; T131-Q135 PolarHBondContact O-N 2.77Å; T131-Q135 VanDerWaalsContact O-N 3.14Å
132E86Confident88Confident154 Ų15478.7 Ų78.772%0.7239%0.392SS*.Hα-helixtrans-58.4-39.1173.4-174179.4-169.200111.6E134 Q135 V136E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 2.77Å; E132-Q135 WeakPolarHBondContact O-CB 3.31Å; E132-Q135 PolarHBondContact O-N 2.9Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; E132-V136 WeakPolarHBondContact O-CG2 3.26Å; E132-V136 PolarHBondContact O-N 2.83Å
133Q82.4Confident88Confident115 Ų11581 Ų8154%0.53740%0.4SS..Hα-helixtrans-58.8-44.1176-178.661.924.200111.8T131 Q135 V136 E137T131-Q133 PolarHBondContact O-N 3.17Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.77Å; Q133-V136 PolarHBondContact O-N 2.88Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.2Å; Q133-E137 PolarHBondContact NE2-OE1 3.45Å; Q133-E137 WeakPolarHBondContact O-CB 3.28Å; Q133-E137 WeakPolarHBondContact O-CG 3.27Å; Q133-E137 PolarHBondContact O-N 2.84Å
134E87.5Confident88.1Confident21 Ų2175.8 Ų75.810%0.09837%0.374CS..Hα-helixtrans-64.6-37176.1-74.1165.3164.700112.1K77 L129 Q130 T131 E132 E137 H138K77-E134 WeakPolarHBondContact CE-OE1 3.4Å; K77-E134 IonicContact NZ-OE1 3.17Å; K77-E134 PolarHBondContact NZ-OE1 2.88Å; L129-E134 HydrophobicContact CD2-CB 4.13Å; Q130-E134 WeakPolarHBondContact CA-OE2 3.28Å; Q130-E134 PolarHBondContact N-OE2 2.58Å; T131-E134 PolarHBondContact N-OE2 2.91Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 VanDerWaalsContact OG1-CG 3.23Å; T131-E134 WeakPolarHBondContact OG1-CG 3.33Å; T131-E134 PolarHBondContact OG1-N 3.09Å; T131-E134 PolarHBondContact OG1-OE2 2.86Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 2.77Å; E134-E137 PolarHBondContact O-N 2.99Å; E134-H138 WeakPolarHBondContact O-CB 3.46Å; E134-H138 PolarHBondContact O-N 3.3Å
135Q87.8Confident87.9Confident89 Ų8979.5 Ų79.542%0.41639%0.387SS..Hα-helixtrans-64.8-41.2175-64.5179.16.200111.9L129 T131 E132 Q133 R139L129-Q135 HydrophobicContact CB-CG 4.2Å; L129-Q135 HydrophobicContact CD1-CG 4.32Å; T131-Q135 PolarHBondContact O-N 2.77Å; T131-Q135 VanDerWaalsContact O-N 3.14Å; E132-Q135 WeakPolarHBondContact O-CB 3.31Å; E132-Q135 PolarHBondContact O-N 2.9Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.77Å; Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 3.42Å; Q135-R139 VanDerWaalsContact O-N 3.12Å
136V85Confident87.7Confident43 Ų4376.4 Ų76.426%0.26137%0.374SS..Hα-helixtrans-62.6-50.6173.9173.50000110.1E132 Q133 H138 R139 L140E132-V136 WeakPolarHBondContact O-CG2 3.26Å; E132-V136 PolarHBondContact O-N 2.83Å; Q133-V136 PolarHBondContact O-N 2.88Å; V136-H138 VanDerWaalsContact C-N 3.3Å; V136-H138 PolarHBondContact O-N 3.49Å; V136-R139 PolarHBondContact O-N 2.69Å; V136-R139 VanDerWaalsContact O-N 3.12Å; V136-L140 HydrophobicContact CG1-CD1 3.8Å; V136-L140 HydrophobicContact CG1-CG 4.19Å; V136-L140 WeakPolarHBondContact O-CG 3.4Å; V136-L140 PolarHBondContact O-N 3.33Å
137E85.9Confident87.3Confident44 Ų4473 Ų7321%0.20635%0.351CS..Hα-helixtrans-58.6-40.6179.5-75.2174.9-171.700112.4T79 Q133 E134 L140 A141 R144T79-E137 HydrophobicContact CG2-CB 4.41Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.2Å; Q133-E137 PolarHBondContact NE2-OE1 3.45Å; Q133-E137 WeakPolarHBondContact O-CB 3.28Å; Q133-E137 WeakPolarHBondContact O-CG 3.27Å; Q133-E137 PolarHBondContact O-N 2.84Å; E134-E137 PolarHBondContact O-N 2.99Å; E137-L140 PolarHBondContact O-N 2.98Å; E137-A141 WeakPolarHBondContact O-CB 3.44Å; E137-A141 PolarHBondContact O-N 2.81Å; E137-R144 PolarHBondContact O-NH2 2.79Å
138H89.6Confident87.1Confident45 Ų4573.3 Ų73.321%0.20835%0.349CS..Hα-helixtrans-64.8-37.7176.3-179.9-86.5000112.9R80 L129 E134 V136R80-H138 WeakPolarHBondContact CD-NE2 3.21Å; R80-H138 WeakPolarHBondContact CD-O 3.5Å; R80-H138 PolarHBondContact NE-NE2 2.83Å; R80-H138 PolarHBondContact NH1-O 2.96Å; L129-H138 HydrophobicContact CD1-CB 3.99Å; L129-H138 HydrophobicContact CD2-CB 3.88Å; E134-H138 WeakPolarHBondContact O-CB 3.46Å; E134-H138 PolarHBondContact O-N 3.3Å; V136-H138 VanDerWaalsContact C-N 3.3Å; V136-H138 PolarHBondContact O-N 3.49Å
139R87.8Confident87.1Confident137 Ų13772.1 Ų72.152%0.51734%0.343SS..Hα-helixtrans-68.4-47.6172.5-72.5-169.8-61.2-90.45.4111.1Q135 V136 A141 S142Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 3.42Å; Q135-R139 VanDerWaalsContact O-N 3.12Å; V136-R139 PolarHBondContact O-N 2.69Å; V136-R139 VanDerWaalsContact O-N 3.12Å; R139-A141 PolarHBondContact O-N 3.12Å; R139-S142 WeakPolarHBondContact O-CB 3.5Å; R139-S142 PolarHBondContact O-N 3.27Å
140L86.1Confident86.8Confident54 Ų5474.1 Ų74.128%0.28335%0.351SS..Hα-helixtrans-61.8-31.5178.4-67.3176.1000112.4V136 E137 S142 E143 R144V136-L140 HydrophobicContact CG1-CD1 3.8Å; V136-L140 HydrophobicContact CG1-CG 4.19Å; V136-L140 WeakPolarHBondContact O-CG 3.4Å; V136-L140 PolarHBondContact O-N 3.33Å; E137-L140 PolarHBondContact O-N 2.98Å; L140-S142 PolarHBondContact O-N 3.19Å; L140-E143 PolarHBondContact O-N 2.85Å; L140-E143 VanDerWaalsContact O-N 3.1Å; L140-R144 VanDerWaalsContact CB-NH1 3.34Å; L140-R144 PolarHBondContact O-N 3.33Å
141A88.8Confident86.8Confident0 Ų068.9 Ų68.90%033%0.326CS..Hα-helixtrans-59.5-31.8174.200000112.7R80 E87 E137 R139 R145R80-A141 HydrophobicContact CB-CB 3.66Å; R80-A141 HydrophobicContact CG-CB 4.47Å; E87-A141 HydrophobicContact CB-CB 4.48Å; E87-A141 WeakPolarHBondContact OE1-CA 3.39Å; E87-A141 WeakPolarHBondContact OE1-CB 3.44Å; E87-A141 WeakPolarHBondContact OE2-CA 3.38Å; E137-A141 WeakPolarHBondContact O-CB 3.44Å; E137-A141 PolarHBondContact O-N 2.81Å; R139-A141 PolarHBondContact O-N 3.12Å; A141-R145 VanDerWaalsContact O-CB 3.31Å; A141-R145 WeakPolarHBondContact O-CB 3.22Å; A141-R145 PolarHBondContact O-N 3.21Å
142S87.5Confident86.7Confident35 Ų3569.2 Ų69.225%0.24532%0.323CS..Hα-helixtrans-66.3-44.8173.8-118.90000111.7R80 R139 L140 R145 K146R80-S142 PolarHBondContact NH1-OG 3.32Å; R80-S142 PolarHBondContact NH2-OG 2.76Å; R139-S142 WeakPolarHBondContact O-CB 3.5Å; R139-S142 PolarHBondContact O-N 3.27Å; L140-S142 PolarHBondContact O-N 3.19Å; S142-R145 PolarHBondContact O-N 2.98Å; S142-K146 PolarHBondContact O-N 3.22Å
143E83.1Confident86.7Confident89 Ų8966.9 Ų66.942%0.41632%0.316SS..Hα-helixtrans-70-44.7-179.9-59.6-48.2119.800111.2L140 R145 K146 V147L140-E143 PolarHBondContact O-N 2.85Å; L140-E143 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.26Å; E143-R145 PolarHBondContact O-N 2.81Å; E143-K146 WeakPolarHBondContact O-CB 3.3Å; E143-K146 PolarHBondContact O-N 3.46Å; E143-K146 IonicContact OE1-NZ 3.83Å; E143-K146 PolarHBondContact OE1-NZ 3.1Å; E143-K146 IonicContact OE2-NZ 3.33Å; E143-K146 PolarHBondContact OE2-NZ 3.19Å; E143-V147 PolarHBondContact O-N 2.81Å; E143-V147 VanDerWaalsContact O-N 3.1Å
144R86.8Confident86.6Confident28 Ų2861.9 Ų61.911%0.10629%0.293CS..Hα-helixtrans-56.6-40.1172.1-74.5-172.7-69.6-92.40.9111.9E87 F109 E137 L140 K146 V147 R148E87-R144 IonicContact OE1-CZ 2.69Å; E87-R144 IonicContact OE1-NE 2.67Å; E87-R144 PolarHBondContact OE1-NE 3.07Å; E87-R144 VanDerWaalsContact OE1-NE 3.17Å; E87-R144 IonicContact OE1-NH2 3.17Å; E87-R144 PolarHBondContact OE1-NH2 3.28Å; E87-R144 IonicContact OE2-CZ 3.88Å; E87-R144 IonicContact OE2-NE 3.34Å; E87-R144 PolarHBondContact OE2-NE 2.94Å; E87-R144 IonicContact OE2-NH2 2.99Å; F109-R144 VanDerWaalsContact CE1-CZ 3.45Å; E137-R144 PolarHBondContact O-NH2 2.79Å; L140-R144 VanDerWaalsContact CB-NH1 3.34Å; L140-R144 PolarHBondContact O-N 3.33Å; R144-K146 VanDerWaalsContact C-N 3.34Å; R144-K146 PolarHBondContact O-N 3.05Å; R144-V147 WeakPolarHBondContact O-CB 3.46Å; R144-V147 PolarHBondContact O-N 3.43Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 2.94Å
145R89Confident86.5Confident95 Ų9563.3 Ų63.336%0.35830%0.299SS..Hα-helixtrans-61.3-39.7174.9-176.9174.7-179.2-162.2-0.8112.5F82 A141 S142 E143 V147 R148 L149F82-R145 HydrophobicContact CZ-CB 4.09Å; F82-R145 VanDerWaalsContact CZ-CD 3.44Å; F82-R145 HydrophobicContact CZ-CG 4.36Å; A141-R145 VanDerWaalsContact O-CB 3.31Å; A141-R145 WeakPolarHBondContact O-CB 3.22Å; A141-R145 PolarHBondContact O-N 3.21Å; S142-R145 PolarHBondContact O-N 2.98Å; E143-R145 VanDerWaalsContact C-N 3.26Å; E143-R145 PolarHBondContact O-N 2.81Å; R145-V147 VanDerWaalsContact C-N 3.35Å; R145-R148 PolarHBondContact O-N 3.34Å; R145-L149 HydrophobicContact CG-CD1 4.17Å; R145-L149 HydrophobicContact CG-CG 4.49Å; R145-L149 WeakPolarHBondContact O-CG 3.2Å; R145-L149 PolarHBondContact O-N 3.43Å; R145-L149 VanDerWaalsContact O-N 3.1Å
146K86.5Confident86.5Confident101 Ų10161.6 Ų61.644%0.43930%0.297SS..Hα-helixtrans-61.2-45174.4-65.7174.1-171.1161.20110.8S142 E143 R144 R148 L149 Q150S142-K146 PolarHBondContact O-N 3.22Å; E143-K146 WeakPolarHBondContact O-CB 3.3Å; E143-K146 PolarHBondContact O-N 3.46Å; E143-K146 IonicContact OE1-NZ 3.83Å; E143-K146 PolarHBondContact OE1-NZ 3.1Å; E143-K146 IonicContact OE2-NZ 3.33Å; E143-K146 PolarHBondContact OE2-NZ 3.19Å; R144-K146 VanDerWaalsContact C-N 3.34Å; R144-K146 PolarHBondContact O-N 3.05Å; K146-R148 VanDerWaalsContact C-N 3.33Å; K146-R148 PolarHBondContact O-N 2.98Å; K146-L149 PolarHBondContact O-N 3.28Å; K146-Q150 WeakPolarHBondContact O-CB 3.39Å; K146-Q150 WeakPolarHBondContact O-CG 3.34Å; K146-Q150 PolarHBondContact O-N 3.21Å
147V84.9Confident86.2Confident37 Ų3763.8 Ų63.822%0.22431%0.307CS..Hα-helixtrans-58.6-42.6177176.50000111.8E143 R144 R145 Q150 H151 M233E143-V147 PolarHBondContact O-N 2.81Å; E143-V147 VanDerWaalsContact O-N 3.1Å; R144-V147 WeakPolarHBondContact O-CB 3.46Å; R144-V147 PolarHBondContact O-N 3.43Å; R145-V147 VanDerWaalsContact C-N 3.35Å; V147-Q150 PolarHBondContact O-N 3.39Å; V147-H151 PolarHBondContact O-N 3.19Å; V147-M233 HydrophobicContact CG1-CE 4.3Å
148R88.8Confident85.7Confident30 Ų3061.8 Ų61.811%0.11330%0.298CS..Hα-helixtrans-60.5-48.4175.5-68.3171.7-166.5116.810.5112.3D58 E87 R144 R145 K146 Q150 H151 M233D58-R148 VanDerWaalsContact CG-NH2 3.35Å; D58-R148 WeakPolarHBondContact OD1-CD 3.34Å; D58-R148 IonicContact OD1-CZ 3.74Å; D58-R148 IonicContact OD1-NE 3.22Å; D58-R148 PolarHBondContact OD1-NE 2.86Å; D58-R148 IonicContact OD1-NH2 2.71Å; D58-R148 PolarHBondContact OD1-NH2 2.81Å; D58-R148 IonicContact OD2-CZ 3.33Å; D58-R148 IonicContact OD2-NE 3.74Å; D58-R148 PolarHBondContact OD2-NE 3.35Å; D58-R148 IonicContact OD2-NH2 2.66Å; D58-R148 PolarHBondContact OD2-NH2 3.28Å; E87-R148 IonicContact OE2-CZ 3.28Å; E87-R148 IonicContact OE2-NH1 2.64Å; E87-R148 PolarHBondContact OE2-NH1 3.04Å; E87-R148 IonicContact OE2-NH2 3.88Å; E87-R148 PolarHBondContact OE2-NH2 3.43Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 2.94Å; R145-R148 PolarHBondContact O-N 3.34Å; K146-R148 VanDerWaalsContact C-N 3.33Å; K146-R148 PolarHBondContact O-N 2.98Å; R148-Q150 VanDerWaalsContact C-N 3.31Å; R148-Q150 PolarHBondContact O-N 3.45Å; R148-H151 WeakPolarHBondContact O-CB 3.49Å; R148-H151 PolarHBondContact O-N 3.5Å; R148-M233 HydrophobicContact CB-SD 4.27Å; R148-M233 HydrophobicContact CG-CE 3.8Å; R148-M233 HydrophobicContact CG-SD 3.89Å
149L88.6Confident85.3Confident126 Ų12661.3 Ų61.366%0.6630%0.296SS*.Hα-helixtrans-68.7-31.2-177.5-66.9174.5000112.4R145 K146R145-L149 HydrophobicContact CG-CD1 4.17Å; R145-L149 HydrophobicContact CG-CG 4.49Å; R145-L149 WeakPolarHBondContact O-CG 3.2Å; R145-L149 PolarHBondContact O-N 3.43Å; R145-L149 VanDerWaalsContact O-N 3.1Å; K146-L149 PolarHBondContact O-N 3.28Å
150Q85.5Confident84.9Confident105 Ų10561.4 Ų61.449%0.49130%0.3SS..Hα-helixtrans-87.7-8.8178.9-68.4175.7-18.800113.5K146 V147 R148 E152 N153 T154K146-Q150 WeakPolarHBondContact O-CB 3.39Å; K146-Q150 WeakPolarHBondContact O-CG 3.34Å; K146-Q150 PolarHBondContact O-N 3.21Å; V147-Q150 PolarHBondContact O-N 3.39Å; R148-Q150 VanDerWaalsContact C-N 3.31Å; R148-Q150 PolarHBondContact O-N 3.45Å; Q150-E152 PolarHBondContact O-N 3.38Å; Q150-N153 PolarHBondContact O-N 3.26Å; Q150-T154 WeakPolarHBondContact O-CB 3.43Å; Q150-T154 PolarHBondContact O-N 3.04Å; Q150-T154 PolarHBondContact O-OG1 2.95Å
151H86.5Confident84Confident31 Ų3162.4 Ų62.414%0.14430%0.303CS..Hα-helixtrans-54.7-49.2-173.2177.960.9000113.4V147 R148 N153 T154 F155 M233 R328V147-H151 PolarHBondContact O-N 3.19Å; R148-H151 WeakPolarHBondContact O-CB 3.49Å; R148-H151 PolarHBondContact O-N 3.5Å; H151-N153 PolarHBondContact O-N 3.4Å; H151-T154 WeakPolarHBondContact O-CB 3.46Å; H151-T154 PolarHBondContact O-N 2.89Å; H151-F155 PolarHBondContact O-N 3.1Å; H151-M233 HydrophobicContact CB-SD 4.11Å; H151-M233 PolarHBondContact NE2-O 3.25Å; H151-R328 VanDerWaalsContact CG-NH2 3.33Å; H151-R328 PolarHBondContact ND1-NH1 2.97Å; H151-R328 PolarHBondContact ND1-NH2 3.27Å
152E86.5Confident82.7Confident75 Ų7562.9 Ų62.935%0.3531%0.307SS..Hα-helixtrans-66.6-38-178.7-70.8-175.4150.900112.3Q150 S156 K235 R237Q150-E152 PolarHBondContact O-N 3.38Å; E152-S156 VanDerWaalsContact O-CB 3.31Å; E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.38Å; E152-S156 PolarHBondContact O-OG 3.2Å; E152-K235 WeakPolarHBondContact OE1-CE 3.34Å; E152-K235 IonicContact OE1-NZ 3.46Å; E152-K235 PolarHBondContact OE1-NZ 3.28Å; E152-K235 IonicContact OE2-NZ 2.92Å; E152-K235 PolarHBondContact OE2-NZ 2.97Å; E152-R237 IonicContact OE1-CZ 3.85Å; E152-R237 IonicContact OE1-NH2 2.63Å; E152-R237 PolarHBondContact OE1-NH2 3.22Å
153N85.4Confident81.2Confident105 Ų10566.2 Ų66.256%0.56132%0.322SS*.Hα-helixtrans-67.3-42.2176.8-70-17.7000111.1Q150 H151 S156 N157Q150-N153 PolarHBondContact O-N 3.26Å; H151-N153 PolarHBondContact O-N 3.4Å; N153-S156 PolarHBondContact O-N 2.93Å; N153-N157 WeakPolarHBondContact O-CB 3.36Å; N153-N157 PolarHBondContact O-N 2.75Å; N153-N157 PolarHBondContact O-ND2 3.42Å; N153-N157 PolarHBondContact O-OD1 3.44Å
154T80.6Confident79.6Confident9 Ų972.9 Ų72.96%0.05534%0.343CS..Hα-helixtrans-56.2-56.1175.1-53.80000110.5Q150 H151 S156 N157 I158 I324 W529Q150-T154 WeakPolarHBondContact O-CB 3.43Å; Q150-T154 PolarHBondContact O-N 3.04Å; Q150-T154 PolarHBondContact O-OG1 2.95Å; H151-T154 WeakPolarHBondContact O-CB 3.46Å; H151-T154 PolarHBondContact O-N 2.89Å; T154-S156 VanDerWaalsContact C-N 3.28Å; T154-S156 PolarHBondContact O-N 3.46Å; T154-N157 PolarHBondContact O-N 2.93Å; T154-N157 VanDerWaalsContact O-N 3.13Å; T154-I158 HydrophobicContact CG2-CD1 4.1Å; T154-I158 WeakPolarHBondContact O-CG1 3.45Å; T154-I158 PolarHBondContact O-N 3.42Å; T154-I324 HydrophobicContact CG2-CD1 3.84Å; T154-I324 HydrophobicContact CG2-CG1 3.88Å; T154-W529 HydrophobicContact CG2-CD2 4.03Å; T154-W529 HydrophobicContact CG2-CE3 3.73Å; T154-W529 HydrophobicContact CG2-CH2 3.04Å; T154-W529 HydrophobicContact CG2-CZ2 3.31Å; T154-W529 HydrophobicContact CG2-CZ3 3.27Å; T154-W529 WeakPolarHBondContact OG1-CH2 3.2Å; T154-W529 WeakPolarHBondContact OG1-CZ3 3.31Å
155F85.8Confident77.9Confident51 Ų5175.4 Ų75.422%0.22436%0.358CS..Hα-helixtrans-57.7-44.4-179.8175.4-98.6000111.3H151 N157 I158 M159 A320 R321 I324H151-F155 PolarHBondContact O-N 3.1Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.18Å; F155-I158 PolarHBondContact O-N 3.12Å; F155-M159 HydrophobicContact CD1-CG 4.18Å; F155-M159 HydrophobicContact CD2-CG 4.43Å; F155-M159 HydrophobicContact CE1-CG 3.69Å; F155-M159 HydrophobicContact CE2-CG 3.96Å; F155-M159 HydrophobicContact CE2-SD 4.27Å; F155-M159 HydrophobicContact CZ-CG 3.56Å; F155-M159 HydrophobicContact CZ-SD 3.93Å; F155-M159 WeakPolarHBondContact O-CB 3.33Å; F155-M159 VanDerWaalsContact O-CG 3.29Å; F155-M159 WeakPolarHBondContact O-CG 3.45Å; F155-M159 PolarHBondContact O-N 3.17Å; F155-A320 HydrophobicContact CD2-CB 4.12Å; F155-A320 HydrophobicContact CE2-CB 3.92Å; F155-R321 HydrophobicContact CD2-CG 4Å; F155-R321 HydrophobicContact CE2-CG 3.89Å; F155-I324 HydrophobicContact CB-CD1 3.97Å; F155-I324 HydrophobicContact CD2-CD1 4.28Å
156S86.6Confident75.9Confident53 Ų5380.5 Ų80.537%0.37138%0.378SS..Hα-helixtrans-63.5-36.1178.4-59.10000112.9E152 N153 T154 K160E152-S156 VanDerWaalsContact O-CB 3.31Å; E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.38Å; E152-S156 PolarHBondContact O-OG 3.2Å; N153-S156 PolarHBondContact O-N 2.93Å; T154-S156 VanDerWaalsContact C-N 3.28Å; T154-S156 PolarHBondContact O-N 3.46Å; S156-K160 WeakPolarHBondContact O-CG 3.46Å; S156-K160 PolarHBondContact O-N 2.87Å; S156-K160 VanDerWaalsContact O-N 3.12Å
157N79.8Confident73.9Confident90 Ų9082 Ų8248%0.48139%0.391SS..Hα-helixtrans-68.5-47.7177.7-71.2-13.5000111.3N153 T154 F155 M159 K160 E161N153-N157 WeakPolarHBondContact O-CB 3.36Å; N153-N157 PolarHBondContact O-N 2.75Å; N153-N157 PolarHBondContact O-ND2 3.42Å; N153-N157 PolarHBondContact O-OD1 3.44Å; T154-N157 PolarHBondContact O-N 2.93Å; T154-N157 VanDerWaalsContact O-N 3.13Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.18Å; N157-M159 VanDerWaalsContact C-N 3.3Å; N157-M159 PolarHBondContact O-N 3.06Å; N157-K160 WeakPolarHBondContact O-CB 2.99Å; N157-K160 PolarHBondContact O-N 3.47Å; N157-K160 VanDerWaalsContact O-N 3.11Å; N157-E161 PolarHBondContact O-N 3.05Å
158I76Confident72.3Confident1 Ų182.6 Ų82.61%0.00540%0.395CS..Hα-helixtrans-60-43.3176-58.7169.2000110.3T154 F155 K160 E161 S162 A320 I324 G527T154-I158 HydrophobicContact CG2-CD1 4.1Å; T154-I158 WeakPolarHBondContact O-CG1 3.45Å; T154-I158 PolarHBondContact O-N 3.42Å; F155-I158 PolarHBondContact O-N 3.12Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.96Å; I158-E161 WeakPolarHBondContact O-CA 3.48Å; I158-E161 WeakPolarHBondContact O-CB 3.49Å; I158-E161 PolarHBondContact O-N 2.95Å; I158-S162 PolarHBondContact O-N 2.9Å; I158-S162 PolarHBondContact O-OG 3.08Å; I158-A320 HydrophobicContact CB-CB 4.09Å; I158-A320 HydrophobicContact CG2-CB 3.53Å; I158-I324 HydrophobicContact CD1-CD1 3.8Å; I158-I324 HydrophobicContact CD1-CG1 3.43Å; I158-I324 VanDerWaalsContact CD1-CG1 3.43Å; I158-G527 WeakPolarHBondContact CD1-O 3.19Å
159M81Confident70.1Confident36 Ų3686.3 Ų86.318%0.17742%0.421CS..Hα-helixtrans-60.5-34.5177.1-76.7-63.6-63.100113.3F155 N157 E161 S162 Q316 G317 A320F155-M159 HydrophobicContact CD1-CG 4.18Å; F155-M159 HydrophobicContact CD2-CG 4.43Å; F155-M159 HydrophobicContact CE1-CG 3.69Å; F155-M159 HydrophobicContact CE2-CG 3.96Å; F155-M159 HydrophobicContact CE2-SD 4.27Å; F155-M159 HydrophobicContact CZ-CG 3.56Å; F155-M159 HydrophobicContact CZ-SD 3.93Å; F155-M159 WeakPolarHBondContact O-CB 3.33Å; F155-M159 VanDerWaalsContact O-CG 3.29Å; F155-M159 WeakPolarHBondContact O-CG 3.45Å; F155-M159 PolarHBondContact O-N 3.17Å; N157-M159 VanDerWaalsContact C-N 3.3Å; N157-M159 PolarHBondContact O-N 3.06Å; M159-E161 VanDerWaalsContact C-N 3.33Å; M159-S162 PolarHBondContact O-N 3.29Å; M159-Q316 HydrophobicContact CE-CB 4.16Å; M159-Q316 HydrophobicContact SD-CB 4.26Å; M159-G317 VanDerWaalsContact SD-CA 3.56Å; M159-A320 HydrophobicContact CG-CB 4.41Å; M159-A320 HydrophobicContact SD-CB 4.12Å
160K78Confident67.9Low139 Ų13982.4 Ų82.460%0.60440%0.404SS*.Hα-helixtrans-67.8-35.2174.5-73.4169.7-177.2176.30111.8S156 N157 I158 S162S156-K160 WeakPolarHBondContact O-CG 3.46Å; S156-K160 PolarHBondContact O-N 2.87Å; S156-K160 VanDerWaalsContact O-N 3.12Å; N157-K160 WeakPolarHBondContact O-CB 2.99Å; N157-K160 PolarHBondContact O-N 3.47Å; N157-K160 VanDerWaalsContact O-N 3.11Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 2.96Å; K160-S162 VanDerWaalsContact C-N 3.32Å
161E68Low65.8Low74 Ų7482.6 Ų82.635%0.34641%0.408SS..Hα-helixtrans-72.2-24.1174.7-62.8-171.4147.300112.9N157 I158 M159 N163 K531N157-E161 PolarHBondContact O-N 3.05Å; I158-E161 WeakPolarHBondContact O-CA 3.48Å; I158-E161 WeakPolarHBondContact O-CB 3.49Å; I158-E161 PolarHBondContact O-N 2.95Å; M159-E161 VanDerWaalsContact C-N 3.33Å; E161-N163 VanDerWaalsContact C-N 3.28Å; E161-N163 PolarHBondContact O-N 3.26Å; E161-K531 VanDerWaalsContact OE1-CE 3.22Å; E161-K531 WeakPolarHBondContact OE1-CE 3.47Å; E161-K531 IonicContact OE1-NZ 3.04Å; E161-K531 PolarHBondContact OE1-NZ 2.91Å
162S62.4Low63.7Low10 Ų1091 Ų917%0.0745%0.447CS..G310 helixtrans-75.2-9.6179.9-56.50000114.9I158 M159 K160 W164 L165I158-S162 PolarHBondContact O-N 2.9Å; I158-S162 PolarHBondContact O-OG 3.08Å; M159-S162 PolarHBondContact O-N 3.29Å; K160-S162 VanDerWaalsContact C-N 3.32Å; S162-W164 PolarHBondContact O-N 3.03Å; S162-L165 PolarHBondContact O-N 3.33Å; S162-L165 VanDerWaalsContact O-N 3.16Å
163N54.7Low61.8Low105 Ų10592.2 Ų92.256%0.56145%0.453SS*.G310 helixtrans-60.6-0.5-175.8-86.4-27.5000115.4E161E161-N163 VanDerWaalsContact C-N 3.28Å; E161-N163 PolarHBondContact O-N 3.26Å
164W49.2Very low60.2Low229 Ų22997.1 Ų97.187%0.86747%0.473SS*.G310 helixtrans-91.5-18.1179.8-58.674.3000113.5S162 R166S162-W164 PolarHBondContact O-N 3.03Å; W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 3.01Å; W164-R166 VanDerWaalsContact O-N 3.16Å
165L51.2Low59.5Low81 Ų8199.4 Ų99.442%0.42450%0.498SS..  trans-8968.1176.7-79141.6000110.3S162 Q316S162-L165 PolarHBondContact O-N 3.33Å; S162-L165 VanDerWaalsContact O-N 3.16Å; L165-Q316 PolarHBondContact O-NE2 2.86Å; L165-Q316 VanDerWaalsContact O-NE2 3.17Å
166R46.9Very low59.2Low202 Ų20299.4 Ų99.476%0.76250%0.502SS*.  trans-83.3-19.6167.8-83.6-169.2-155.5-137.45.2113.6W164 P168W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 3.01Å; W164-R166 VanDerWaalsContact O-N 3.16Å; R166-P168 VanDerWaalsContact O-CD 3.26Å; R166-P168 WeakPolarHBondContact O-CD 3.19Å
167D46.4Very low59.1Low134 Ų13497.9 Ų97.972%0.71749%0.493SS*.  trans-115.386.7178-65.7-29.6000110.4V169D167-V169 HydrophobicContact CB-CG2 4.07Å; D167-V169 PolarHBondContact O-N 2.89Å
168P49.7Very low59.6Low48 Ų4896.5 Ų96.531%0.31249%0.488SS..  trans-69.689.4146.929.6-22.3000105.3R166 C170 F312R166-P168 VanDerWaalsContact O-CD 3.26Å; R166-P168 WeakPolarHBondContact O-CD 3.19Å; P168-C170 PolarHBondContact O-N 3.39Å; P168-F312 HydrophobicContact CG-CE1 3.7Å; P168-F312 HydrophobicContact CG-CZ 4.45Å
169V42.3Very low60.4Low108 Ų10896.7 Ų96.766%0.65549%0.489SS*.  trans-68.275159.4-1730000105.8D167 N171D167-V169 HydrophobicContact CB-CG2 4.07Å; D167-V169 PolarHBondContact O-N 2.89Å; V169-N171 VanDerWaalsContact CG1-OD1 3.28Å; V169-N171 WeakPolarHBondContact CG1-OD1 3.23Å; V169-N171 PolarHBondContact O-N 3.1Å; V169-N171 VanDerWaalsContact O-N 3.13Å
170C43.9Very low60.9Low44 Ų44102 Ų10230%0.29752%0.515SS..  trans-69.297.2148.6-680000103.2P168P168-C170 PolarHBondContact O-N 3.39Å
171N40.5Very low61.6Low109 Ų10998.6 Ų98.658%0.58351%0.513SS*.  trans-44.8147.2154.6-67.4-30.2000106.9V169 E173V169-N171 VanDerWaalsContact CG1-OD1 3.28Å; V169-N171 WeakPolarHBondContact CG1-OD1 3.23Å; V169-N171 PolarHBondContact O-N 3.1Å; V169-N171 VanDerWaalsContact O-N 3.13Å; N171-E173 HydrophobicContact CB-CG 4.49Å; N171-E173 PolarHBondContact O-N 3.09Å
172E42Very low62.9Low207 Ų20795.2 Ų95.297%0.96750%0.497SS*.SBendtrans-56.977.7172.8-65.1-179165.600109.3
173E47.4Very low64.6Low101 Ų10197.5 Ų97.547%0.47251%0.513SS..  trans-91.4121.4174-76.8-174.6167.600105N171 G175 R303N171-E173 HydrophobicContact CB-CG 4.49Å; N171-E173 PolarHBondContact O-N 3.09Å; E173-G175 PolarHBondContact O-N 3.4Å; E173-R303 IonicContact OE2-NH1 3.12Å; E173-R303 PolarHBondContact OE2-NH1 2.89Å
174E51.5Low66.6Low209 Ų20993.1 Ų93.198%0.97749%0.49SS*.THydrogen-bonded Turntrans-48127.2169.7-77.4176.7134.300109.9
175G66.7Low68.9Low56 Ų5689 Ų8958%0.57748%0.48SS*.THydrogen-bonded Turntrans110.615.3174.200000117E173 P302E173-G175 PolarHBondContact O-N 3.4Å; G175-P302 VanDerWaalsContact O-CB 3.3Å; G175-P302 WeakPolarHBondContact O-CB 3.33Å
176T78.4Confident71.2Confident52 Ų5287 Ų8732%0.31947%0.473SS..EExtended strand (participates in β ladder)trans-82.5143169.656.80000112.7R303T176-R303 CarbonylContact C-O 3.54Å; T176-R303 WeakPolarHBondContact CA-O 3.19Å; T176-R303 HydrophobicContact CG2-CB 4.46Å
177A85.8Confident73.6Confident21 Ų2181.4 Ų81.417%0.17446%0.458CS..EExtended strand (participates in β ladder)trans-117.1149.5176.500000111.9L221 P302 R303 I304 Q305A177-L221 HydrophobicContact CB-CD1 3.76Å; A177-P302 HydrophobicContact CB-CB 3.92Å; A177-P302 HydrophobicContact CB-CG 3.69Å; A177-R303 PolarHBondContact N-O 3.35Å; A177-I304 HydrophobicContact CB-CD1 4.5Å; A177-I304 WeakPolarHBondContact O-CA 3.46Å; A177-Q305 PolarHBondContact O-N 3.29Å
178T90.6Very high76.1Confident61 Ų6178.2 Ų78.237%0.37444%0.439SS..  trans-95.1152.1174.469.60000110.8I307T178-I307 HydrophobicContact CG2-CD1 3.59Å
179T91.8Very high78.4Confident4 Ų479.9 Ų79.93%0.02544%0.444CS..SBendtrans-78.2-23-177.952.90000113.2A181 T182 I251 V252 I304 D311T179-A181 PolarHBondContact O-N 2.92Å; T179-T182 WeakPolarHBondContact O-CB 3.24Å; T179-T182 PolarHBondContact O-N 2.7Å; T179-T182 PolarHBondContact O-OG1 3.46Å; T179-I251 WeakPolarHBondContact O-CG1 3.47Å; T179-V252 WeakPolarHBondContact CG2-O 3.47Å; T179-I304 HydrophobicContact CG2-CD1 4.3Å; T179-I304 HydrophobicContact CG2-CG2 3.52Å; T179-D311 PolarHBondContact OG1-OD1 2.9Å
180M90.7Very high81Confident147 Ų14774.8 Ų74.872%0.72441%0.413SS*.G310 helixtrans-59.5-42.1-170.3-170-176.1-65.500112.8T182 S183M180-T182 PolarHBondContact O-N 3.43Å; M180-S183 PolarHBondContact O-N 3.44Å; M180-S183 PolarHBondContact O-OG 3.48Å; M180-S183 VanDerWaalsContact O-OG 3.11Å
181A92.5Very high83.6Confident69 Ų6976.5 Ų76.557%0.5742%0.419SS*.G310 helixtrans-64-23178.500000112.9T179 S183 R220T179-A181 PolarHBondContact O-N 2.92Å; A181-S183 VanDerWaalsContact C-N 3.35Å; A181-R220 VanDerWaalsContact O-CD 3.31Å; A181-R220 WeakPolarHBondContact O-CD 3.36Å; A181-R220 PolarHBondContact O-NH1 2.98Å
182T96.1Very high86.3Confident2 Ų275.8 Ų75.81%0.01242%0.421CS..G310 helixtrans-84.6-6-178.676.70000113.4T179 M180 V184 S217 L221 I251 V252T179-T182 WeakPolarHBondContact O-CB 3.24Å; T179-T182 PolarHBondContact O-N 2.7Å; T179-T182 PolarHBondContact O-OG1 3.46Å; M180-T182 PolarHBondContact O-N 3.43Å; T182-V184 PolarHBondContact O-N 3.16Å; T182-S217 WeakPolarHBondContact O-CA 3.2Å; T182-S217 WeakPolarHBondContact O-CB 3.08Å; T182-S217 PolarHBondContact O-OG 2.92Å; T182-L221 HydrophobicContact CG2-CB 4.06Å; T182-L221 HydrophobicContact CG2-CD1 4.2Å; T182-I251 WeakPolarHBondContact OG1-CG1 3.46Å; T182-V252 HydrophobicContact CG2-CB 4.18Å; T182-V252 HydrophobicContact CG2-CG2 3.84Å; T182-V252 WeakPolarHBondContact OG1-CB 3.23Å; T182-V252 PolarHBondContact OG1-N 2.97Å; T182-V252 VanDerWaalsContact OG1-N 3.11Å
183S97.2Very high88.9Confident58 Ų5870.6 Ų70.641%0.40641%0.405SS..  trans-69.8125.8-175.870.60000111.9M180 A181 R220 A250M180-S183 PolarHBondContact O-N 3.44Å; M180-S183 PolarHBondContact O-OG 3.48Å; M180-S183 VanDerWaalsContact O-OG 3.11Å; A181-S183 VanDerWaalsContact C-N 3.35Å; S183-R220 PolarHBondContact O-NH1 2.78Å; S183-A250 CarbonylContact C-O 3.43Å; S183-A250 WeakPolarHBondContact CA-O 3.24Å
184V98Very high91.3Very high14 Ų1467.4 Ų67.49%0.08539%0.39CS..EExtended strand (participates in β ladder)trans-122.5133.4178.6-173.60000108.9T182 V213 I216 A250T182-V184 PolarHBondContact O-N 3.16Å; V184-V213 HydrophobicContact CB-CG1 3.94Å; V184-V213 HydrophobicContact CG1-CG1 3.72Å; V184-I216 HydrophobicContact CG1-CB 4.36Å; V184-I216 HydrophobicContact CG1-CG2 4.1Å; V184-I216 HydrophobicContact CG2-CB 4.17Å; V184-I216 HydrophobicContact CG2-CG2 3.74Å; V184-A250 PolarHBondContact N-O 2.85Å; V184-A250 PolarHBondContact O-N 2.8Å
185Q98.2Very high93.3Very high141 Ų14157.9 Ų57.966%0.65935%0.347SS*.EExtended strand (participates in β ladder)trans-117.9134.2168.5179.9175.18400108.9V247 F248 N249Q185-V247 HydrophobicContact CG-CG1 4.16Å; Q185-F248 VanDerWaalsContact CA-O 3.27Å; Q185-F248 WeakPolarHBondContact CA-O 3.44Å; Q185-N249 WeakPolarHBondContact CG-OD1 3.46Å; Q185-N249 PolarHBondContact NE2-OD1 3.01Å
186S97.9Very high94.5Very high39 Ų3955.9 Ų55.927%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-132.8157.9168.2-166.20000110.1F248S186-F248 PolarHBondContact N-O 2.93Å; S186-F248 PolarHBondContact O-N 3.37Å
187I97.7Very high94.8Very high86 Ų8660.5 Ų60.544%0.44134%0.341SS..EExtended strand (participates in β ladder)trans-132130.8176.9-170.7170.6000109.6R245 L246 V247 W274I187-R245 HydrophobicContact CD1-CB 4.06Å; I187-R245 HydrophobicContact CD1-CG 4.45Å; I187-R245 HydrophobicContact CG1-CB 4.24Å; I187-L246 WeakPolarHBondContact CA-O 3.17Å; I187-V247 HydrophobicContact CD1-CG2 4.18Å; I187-V247 HydrophobicContact CG1-CG2 4.24Å; I187-W274 HydrophobicContact CD1-CH2 3.52Å; I187-W274 HydrophobicContact CD1-CZ2 4.2Å; I187-W274 HydrophobicContact CD1-CZ3 3.87Å
188E98.1Very high94.7Very high67 Ų6762.6 Ų62.631%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-124.9136.1178.7-63.4-70171.800109.9W209 R245 L246 F248E188-W209 HydrophobicContact CB-CD2 4.03Å; E188-W209 HydrophobicContact CB-CE3 4.23Å; E188-W209 HydrophobicContact CB-CH2 4.18Å; E188-W209 HydrophobicContact CB-CZ2 4.01Å; E188-W209 HydrophobicContact CB-CZ3 4.3Å; E188-W209 HydrophobicContact CG-CB 4.46Å; E188-W209 HydrophobicContact CG-CD2 3.83Å; E188-W209 HydrophobicContact CG-CE3 4.45Å; E188-W209 HydrophobicContact CG-CG 3.86Å; E188-W209 HydrophobicContact CG-CZ2 4.35Å; E188-R245 WeakPolarHBondContact O-CA 3.44Å; E188-L246 PolarHBondContact N-O 2.98Å; E188-L246 PolarHBondContact O-N 3.26Å; E188-F248 HydrophobicContact CB-CE2 3.99Å; E188-F248 HydrophobicContact CG-CD2 4.4Å; E188-F248 HydrophobicContact CG-CE2 3.9Å
189L98Very high94.7Very high82 Ų8260.7 Ų60.743%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-87.6127.4172.3-179.962.5000109.4L191 H194 R245L189-L191 HydrophobicContact CD2-CD2 3.78Å; L189-L191 HydrophobicContact CG-CD2 3.93Å; L189-L191 PolarHBondContact O-N 2.98Å; L189-H194 PolarHBondContact O-ND1 3.46Å; L189-R245 HydrophobicContact CD1-CG 4.36Å
190V97.9Very high94.8Very high1 Ų162 Ų621%0.00635%0.346CS..  trans-74110.7174.2-175.10000109.2H194 T201 V242 G243 D244 L246V190-H194 HydrophobicContact CG1-CB 4Å; V190-T201 HydrophobicContact CG1-CG2 4.1Å; V190-T201 WeakPolarHBondContact CG1-OG1 3.49Å; V190-T201 HydrophobicContact CG2-CG2 4.31Å; V190-V242 HydrophobicContact CG1-CG2 4.48Å; V190-G243 PolarHBondContact O-N 2.78Å; V190-D244 HydrophobicContact CG2-CB 4.05Å; V190-D244 WeakPolarHBondContact CG2-O 3.37Å; V190-D244 PolarHBondContact N-O 3.45Å; V190-L246 HydrophobicContact CG2-CD1 3.9Å; V190-L246 HydrophobicContact CG2-CG 3.81Å
191L98Very high95.1Very high80 Ų8055.7 Ų55.742%0.41932%0.316SS..  trans-100.9164.9177.3-60.7178.7000110.1L189 P193 H194L189-L191 HydrophobicContact CD2-CD2 3.78Å; L189-L191 HydrophobicContact CG-CD2 3.93Å; L189-L191 PolarHBondContact O-N 2.98Å; L191-P193 VanDerWaalsContact C-CD 3.42Å; L191-P193 HydrophobicContact CB-CG 4.27Å; L191-H194 PolarHBondContact N-ND1 3.19Å; L191-H194 VanDerWaalsContact N-ND1 3.14Å; L191-H194 WeakPolarHBondContact O-CA 3.3Å; L191-H194 VanDerWaalsContact O-CB 3.27Å; L191-H194 WeakPolarHBondContact O-CB 3.35Å; L191-H194 PolarHBondContact O-N 2.96Å
192P97.4Very high95.3Very high95 Ų9555.2 Ų55.262%0.61730%0.301SS*.G310 helixtrans-47.1-43177.3-29.336.3000116.6H194 A195 V242P192-H194 PolarHBondContact O-N 3.43Å; P192-A195 PolarHBondContact O-N 3.28Å; P192-V242 HydrophobicContact CG-CG1 4.23Å
193P97Very high95.3Very high98 Ų9855.3 Ų55.364%0.63630%0.303SS*.G310 helixtrans-67.6-14.5177.827.1-36.6000114.2L191 A195L191-P193 VanDerWaalsContact C-CD 3.42Å; L191-P193 HydrophobicContact CB-CG 4.27Å; P193-A195 VanDerWaalsContact C-N 3.29Å
194H97.6Very high95.3Very high33 Ų3352.6 Ų52.615%0.15328%0.283CS..G310 helixtrans-85.5-3.7179.2-53.8155.9000112.3L189 V190 L191 P192 T201 F202 Q205 W209L189-H194 PolarHBondContact O-ND1 3.46Å; V190-H194 HydrophobicContact CG1-CB 4Å; L191-H194 PolarHBondContact N-ND1 3.19Å; L191-H194 VanDerWaalsContact N-ND1 3.14Å; L191-H194 WeakPolarHBondContact O-CA 3.3Å; L191-H194 VanDerWaalsContact O-CB 3.27Å; L191-H194 WeakPolarHBondContact O-CB 3.35Å; L191-H194 PolarHBondContact O-N 2.96Å; P192-H194 PolarHBondContact O-N 3.43Å; H194-T201 WeakPolarHBondContact O-CA 3.44Å; H194-T201 WeakPolarHBondContact O-CG2 3.38Å; H194-F202 PolarHBondContact O-N 3.48Å; H194-Q205 HydrophobicContact CB-CG 3.91Å; H194-W209 HydrophobicContact CB-CH2 3.99Å; H194-W209 AromaticContact CE1-CH2 3.9Å; H194-W209 AromaticContact CE1-CZ2 3.54Å; H194-W209 AromaticContact CG-CH2 3.61Å; H194-W209 AromaticContact CG-CZ2 3.87Å; H194-W209 AromaticContact ND1-CH2 3.32Å; H194-W209 VanDerWaalsContact ND1-CH2 3.32Å; H194-W209 WeakPolarHBondContact ND1-CH2 3.49Å; H194-W209 AromaticContact ND1-CZ2 3.47Å; H194-W209 WeakPolarHBondContact ND1-CZ2 3.46Å; H194-W209 AromaticContact NE2-CZ2 3.96Å
195A94.7Very high95.3Very high9 Ų953 Ų537%0.07429%0.285CS..BIsolated β-bridgetrans-131.8157.8-174.200000112.6P192 P193 N200 F202 V242P192-A195 PolarHBondContact O-N 3.28Å; P193-A195 VanDerWaalsContact C-N 3.29Å; A195-N200 CarbonylContact C-O 3.59Å; A195-N200 WeakPolarHBondContact CA-O 3.44Å; A195-N200 VanDerWaalsContact CB-O 3.26Å; A195-N200 WeakPolarHBondContact CB-O 3.45Å; A195-F202 WeakPolarHBondContact O-CE2 3.26Å; A195-V242 HydrophobicContact CB-CG2 3.37Å
196N90.6Very high95.3Very high14 Ų1446.5 Ų46.58%0.07525%0.254CS..  trans-71.2170.9170.870.416.2000111.3S51 H198 G199 N200 F202S51-N196 PolarHBondContact OG-ND2 3Å; S51-N196 VanDerWaalsContact OG-ND2 3.12Å; N196-H198 PolarHBondContact O-N 3.21Å; N196-H198 WeakPolarHBondContact OD1-CA 3.43Å; N196-H198 WeakPolarHBondContact OD1-CB 3.48Å; N196-H198 PolarHBondContact OD1-N 3.47Å; N196-G199 WeakPolarHBondContact O-CA 3.42Å; N196-G199 PolarHBondContact O-N 3.21Å; N196-G199 PolarHBondContact OD1-N 3.04Å; N196-N200 PolarHBondContact N-O 2.87Å; N196-N200 PolarHBondContact OD1-N 3.43Å; N196-F202 VanDerWaalsContact CA-CZ 3.46Å; N196-F202 HydrophobicContact CB-CD1 4.48Å; N196-F202 HydrophobicContact CB-CE1 3.65Å; N196-F202 HydrophobicContact CB-CZ 3.68Å
197H85.1Confident95.3Very high150 Ų15044.9 Ų44.969%0.69424%0.242SC*.THydrogen-bonded Turntrans-55.1-12.3175.561.6-35.6000116.1
198H84.2Confident95.3Very high64 Ų6441.2 Ų41.230%0.29623%0.225SC..THydrogen-bonded Turntrans-95.75.7172.9-60.4110.5000113.1S51 L117 N196 N200S51-H198 VanDerWaalsContact CB-CE1 3.4Å; S51-H198 WeakPolarHBondContact CB-CE1 3.15Å; S51-H198 WeakPolarHBondContact CB-ND1 3.5Å; S51-H198 PolarHBondContact OG-ND1 2.8Å; L117-H198 WeakPolarHBondContact CD2-CD2 3.36Å; L117-H198 VanDerWaalsContact CD2-NE2 3.33Å; L117-H198 WeakPolarHBondContact CD2-NE2 3.46Å; L117-H198 WeakPolarHBondContact CG-NE2 3.46Å; N196-H198 PolarHBondContact O-N 3.21Å; N196-H198 WeakPolarHBondContact OD1-CA 3.43Å; N196-H198 WeakPolarHBondContact OD1-CB 3.48Å; N196-H198 PolarHBondContact OD1-N 3.47Å; H198-N200 VanDerWaalsContact C-N 3.29Å; H198-N200 PolarHBondContact O-N 2.87Å
199G90.4Very high95.3Very high21 Ų2139.1 Ų39.122%0.21621%0.214CC..SBendtrans77.75.2-177.700000114.6N196 T241 V242N196-G199 WeakPolarHBondContact O-CA 3.42Å; N196-G199 PolarHBondContact O-N 3.21Å; N196-G199 PolarHBondContact OD1-N 3.04Å; G199-T241 CarbonylContact O-C 3.55Å; G199-T241 WeakPolarHBondContact O-CA 3.5Å; G199-T241 WeakPolarHBondContact O-CB 3.49Å; G199-V242 PolarHBondContact O-N 3.06Å
200N93.6Very high95.3Very high31 Ų3135.4 Ų35.417%0.16620%0.195CC..BIsolated β-bridgetrans-81.9129.2176.6-65.1-72000110.7V53 A195 N196 H198V53-N200 HydrophobicContact CG1-CB 4.13Å; A195-N200 CarbonylContact C-O 3.59Å; A195-N200 WeakPolarHBondContact CA-O 3.44Å; A195-N200 VanDerWaalsContact CB-O 3.26Å; A195-N200 WeakPolarHBondContact CB-O 3.45Å; N196-N200 PolarHBondContact N-O 2.87Å; N196-N200 PolarHBondContact OD1-N 3.43Å; H198-N200 VanDerWaalsContact C-N 3.29Å; H198-N200 PolarHBondContact O-N 2.87Å
201T97Very high95.3Very high15 Ų1536 Ų369%0.09220%0.197CC..BIsolated β-bridgetrans-62.1134.8179.7-490000110.4V190 H194 I206 S240V190-T201 HydrophobicContact CG1-CG2 4.1Å; V190-T201 WeakPolarHBondContact CG1-OG1 3.49Å; V190-T201 HydrophobicContact CG2-CG2 4.31Å; H194-T201 WeakPolarHBondContact O-CA 3.44Å; H194-T201 WeakPolarHBondContact O-CG2 3.38Å; T201-I206 HydrophobicContact CG2-CD1 4.02Å; T201-I206 HydrophobicContact CG2-CG1 3.81Å; T201-S240 WeakPolarHBondContact CB-O 3.38Å; T201-S240 PolarHBondContact N-O 2.82Å; T201-S240 WeakPolarHBondContact OG1-CB 3.44Å; T201-S240 PolarHBondContact OG1-O 3.36Å; T201-S240 PolarHBondContact OG1-OG 2.95Å
202F96.8Very high95.2Very high60 Ų6035.4 Ų35.426%0.26320%0.197SC..PPolyproline II helixtrans-68.2133175.3-68.4-66.2000110.8H194 A195 N196 G204 Q205 I206H194-F202 PolarHBondContact O-N 3.48Å; A195-F202 WeakPolarHBondContact O-CE2 3.26Å; N196-F202 VanDerWaalsContact CA-CZ 3.46Å; N196-F202 HydrophobicContact CB-CD1 4.48Å; N196-F202 HydrophobicContact CB-CE1 3.65Å; N196-F202 HydrophobicContact CB-CZ 3.68Å; F202-G204 PolarHBondContact O-N 2.86Å; F202-Q205 HydrophobicContact CB-CB 4.25Å; F202-Q205 WeakPolarHBondContact O-CB 3.42Å; F202-Q205 PolarHBondContact O-N 3.36Å; F202-I206 PolarHBondContact O-N 2.71Å
203G96Very high95.3Very high4 Ų431.1 Ų31.14%0.04117%0.169CC..Hα-helixtrans-58.7-36.5176.400000111.8Q205 I206 M207G203-Q205 VanDerWaalsContact C-N 3.3Å; G203-Q205 PolarHBondContact O-N 2.86Å; G203-I206 PolarHBondContact O-N 3.21Å; G203-M207 WeakPolarHBondContact O-CG 3.31Å; G203-M207 PolarHBondContact O-N 3.41Å
204G97.2Very high95.3Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-58.6-37.4174.700000114.1D37 F202 M207 A208D37-G204 VanDerWaalsContact CB-CA 3.41Å; D37-G204 WeakPolarHBondContact OD2-CA 3.37Å; D37-G204 PolarHBondContact OD2-N 2.81Å; F202-G204 PolarHBondContact O-N 2.86Å; G204-M207 PolarHBondContact O-N 2.64Å; G204-A208 PolarHBondContact O-N 2.97Å
205Q98Very high95.3Very high24 Ų2426.6 Ų26.611%0.11214%0.142CC..Hα-helixtrans-70.9-40.5178-171.958.557.400111.1H194 F202 G203 A208 W209H194-Q205 HydrophobicContact CB-CG 3.91Å; F202-Q205 HydrophobicContact CB-CB 4.25Å; F202-Q205 WeakPolarHBondContact O-CB 3.42Å; F202-Q205 PolarHBondContact O-N 3.36Å; G203-Q205 VanDerWaalsContact C-N 3.3Å; G203-Q205 PolarHBondContact O-N 2.86Å; Q205-A208 PolarHBondContact O-N 2.84Å; Q205-W209 HydrophobicContact CG-CD2 4.2Å; Q205-W209 HydrophobicContact CG-CE3 3.99Å; Q205-W209 HydrophobicContact CG-CH2 3.59Å; Q205-W209 HydrophobicContact CG-CZ2 3.77Å; Q205-W209 HydrophobicContact CG-CZ3 3.69Å; Q205-W209 PolarHBondContact O-N 3.11Å
206I98.1Very high95.4Very high4 Ų429.7 Ų29.72%0.02116%0.157CC..Hα-helixtrans-62.7-44.6174.6-56.6178.8000110.3T201 F202 G203 A208 W209 M210 F236 L246 F248 V266 I282T201-I206 HydrophobicContact CG2-CD1 4.02Å; T201-I206 HydrophobicContact CG2-CG1 3.81Å; F202-I206 PolarHBondContact O-N 2.71Å; G203-I206 PolarHBondContact O-N 3.21Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 3.19Å; I206-W209 PolarHBondContact O-N 3.11Å; I206-M210 HydrophobicContact CG2-CG 4.3Å; I206-M210 HydrophobicContact CG2-SD 3.8Å; I206-M210 WeakPolarHBondContact O-CB 3.31Å; I206-M210 WeakPolarHBondContact O-CG 3.49Å; I206-M210 PolarHBondContact O-N 2.94Å; I206-F236 HydrophobicContact CB-CE1 4.14Å; I206-F236 HydrophobicContact CD1-CD1 4.49Å; I206-F236 HydrophobicContact CD1-CE1 4.05Å; I206-F236 HydrophobicContact CG2-CE1 4.14Å; I206-L246 HydrophobicContact CD1-CD1 4.24Å; I206-L246 HydrophobicContact CG1-CD1 3.92Å; I206-F248 HydrophobicContact CG2-CE1 4.11Å; I206-V266 HydrophobicContact CG2-CG1 4.14Å; I206-V266 HydrophobicContact CG2-CG2 4.28Å; I206-I282 HydrophobicContact CD1-CG2 4.08Å
207M98Very high95.7Very high4 Ų429 Ų292%0.0215%0.153CC..Hα-helixtrans-60.5-39.4176.4-74.4-174.8-69.800113L33 D37 M57 G203 G204 M210 E211 F234 F236L33-M207 HydrophobicContact CB-CB 3.99Å; L33-M207 HydrophobicContact CD1-CB 4.22Å; L33-M207 HydrophobicContact CD2-SD 4.49Å; D37-M207 HydrophobicContact CB-CE 3.69Å; M57-M207 HydrophobicContact CE-CE 3.62Å; M57-M207 HydrophobicContact CE-SD 4.24Å; M57-M207 HydrophobicContact CG-CE 4.2Å; M57-M207 HydrophobicContact CG-SD 3.74Å; G203-M207 WeakPolarHBondContact O-CG 3.31Å; G203-M207 PolarHBondContact O-N 3.41Å; G204-M207 PolarHBondContact O-N 2.64Å; M207-M210 PolarHBondContact O-N 2.63Å; M207-E211 WeakPolarHBondContact O-CB 3.38Å; M207-E211 PolarHBondContact O-N 2.91Å; M207-F234 HydrophobicContact CG-CE1 4.47Å; M207-F234 HydrophobicContact CG-CZ 3.72Å; M207-F234 HydrophobicContact SD-CE1 4.18Å; M207-F234 HydrophobicContact SD-CZ 3.7Å; M207-F236 HydrophobicContact CG-CZ 4.31Å
208A97.9Very high96.2Very high9 Ų921.9 Ų21.97%0.07412%0.12CC..Hα-helixtrans-62.4-46.1177.600000112.4G30 K34 G204 Q205 I206 E211 T212G30-A208 VanDerWaalsContact O-CB 3.31Å; G30-A208 WeakPolarHBondContact O-CB 3.34Å; K34-A208 HydrophobicContact CB-CB 4.3Å; G204-A208 PolarHBondContact O-N 2.97Å; Q205-A208 PolarHBondContact O-N 2.84Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 3.19Å; A208-E211 PolarHBondContact O-N 3.39Å; A208-T212 PolarHBondContact O-N 2.98Å; A208-T212 VanDerWaalsContact O-N 3.13Å; A208-T212 PolarHBondContact O-OG1 2.83Å
209W98.3Very high96.7Very high24 Ų2420.9 Ų20.99%0.09112%0.12CC..Hα-helixtrans-66.4-41.2176-67-43.3000112.2E188 H194 Q205 I206 E211 T212 V213 L246 F248E188-W209 HydrophobicContact CB-CD2 4.03Å; E188-W209 HydrophobicContact CB-CE3 4.23Å; E188-W209 HydrophobicContact CB-CH2 4.18Å; E188-W209 HydrophobicContact CB-CZ2 4.01Å; E188-W209 HydrophobicContact CB-CZ3 4.3Å; E188-W209 HydrophobicContact CG-CB 4.46Å; E188-W209 HydrophobicContact CG-CD2 3.83Å; E188-W209 HydrophobicContact CG-CE3 4.45Å; E188-W209 HydrophobicContact CG-CG 3.86Å; E188-W209 HydrophobicContact CG-CZ2 4.35Å; H194-W209 HydrophobicContact CB-CH2 3.99Å; H194-W209 AromaticContact CE1-CH2 3.9Å; H194-W209 AromaticContact CE1-CZ2 3.54Å; H194-W209 AromaticContact CG-CH2 3.61Å; H194-W209 AromaticContact CG-CZ2 3.87Å; H194-W209 AromaticContact ND1-CH2 3.32Å; H194-W209 VanDerWaalsContact ND1-CH2 3.32Å; H194-W209 WeakPolarHBondContact ND1-CH2 3.49Å; H194-W209 AromaticContact ND1-CZ2 3.47Å; H194-W209 WeakPolarHBondContact ND1-CZ2 3.46Å; H194-W209 AromaticContact NE2-CZ2 3.96Å; Q205-W209 HydrophobicContact CG-CD2 4.2Å; Q205-W209 HydrophobicContact CG-CE3 3.99Å; Q205-W209 HydrophobicContact CG-CH2 3.59Å; Q205-W209 HydrophobicContact CG-CZ2 3.77Å; Q205-W209 HydrophobicContact CG-CZ3 3.69Å; Q205-W209 PolarHBondContact O-N 3.11Å; I206-W209 PolarHBondContact O-N 3.11Å; W209-E211 VanDerWaalsContact C-N 3.34Å; W209-E211 PolarHBondContact O-N 3.46Å; W209-T212 PolarHBondContact O-N 2.78Å; W209-V213 WeakPolarHBondContact O-CG2 3.48Å; W209-V213 PolarHBondContact O-N 3.48Å; W209-V213 VanDerWaalsContact O-N 3.11Å; W209-L246 HydrophobicContact CE3-CD1 4.15Å; W209-L246 HydrophobicContact CZ3-CD1 3.82Å; W209-F248 HydrophobicContact CB-CD1 4.39Å; W209-F248 HydrophobicContact CB-CE1 3.78Å; W209-F248 HydrophobicContact CB-CE2 3.97Å; W209-F248 HydrophobicContact CB-CZ 3.55Å; W209-F248 HydrophobicContact CD2-CZ 4.24Å; W209-F248 HydrophobicContact CE3-CE2 4.28Å; W209-F248 AromaticContact CE3-CZ 3.75Å; W209-F248 HydrophobicContact CE3-CZ 3.75Å; W209-F248 HydrophobicContact CG-CE2 4.5Å; W209-F248 HydrophobicContact CG-CZ 4.24Å
210M98Very high97Very high4 Ų425.6 Ų25.62%0.0213%0.131CC..Hα-helixtrans-57-47.4175.2-73.1163.154.400112.2I206 M207 T212 V213 A214 F248 V264 V266 N283 A285I206-M210 HydrophobicContact CG2-CG 4.3Å; I206-M210 HydrophobicContact CG2-SD 3.8Å; I206-M210 WeakPolarHBondContact O-CB 3.31Å; I206-M210 WeakPolarHBondContact O-CG 3.49Å; I206-M210 PolarHBondContact O-N 2.94Å; M207-M210 PolarHBondContact O-N 2.63Å; M210-T212 VanDerWaalsContact C-N 3.35Å; M210-V213 PolarHBondContact O-N 3.14Å; M210-A214 VanDerWaalsContact O-CB 3.31Å; M210-A214 WeakPolarHBondContact O-CB 3.49Å; M210-A214 PolarHBondContact O-N 3.42Å; M210-F248 HydrophobicContact CG-CD1 3.8Å; M210-F248 HydrophobicContact CG-CE1 3.77Å; M210-V264 HydrophobicContact CB-CG1 4.27Å; M210-V264 HydrophobicContact CG-CG1 4.1Å; M210-V266 HydrophobicContact CG-CG2 3.57Å; M210-V266 HydrophobicContact SD-CG2 3.83Å; M210-N283 VanDerWaalsContact CE-ND2 3.26Å; M210-N283 WeakPolarHBondContact CE-ND2 3.24Å; M210-N283 PolarHBondContact SD-ND2 3.42Å; M210-A285 HydrophobicContact CE-CB 3.19Å
211E97.7Very high97Very high12 Ų1224.9 Ų24.96%0.05613%0.127CC..Hα-helixtrans-62.8-43-179.7-168.9-76.4129.200111.1S28 A29 G30 L33 M207 A208 W209 V213 A214 T215 L228 L287 Y289S28-E211 PolarHBondContact OG-OE2 2.84Å; A29-E211 HydrophobicContact CB-CG 3.92Å; G30-E211 WeakPolarHBondContact CA-OE2 3.15Å; G30-E211 PolarHBondContact N-OE2 2.82Å; L33-E211 HydrophobicContact CD1-CB 4.41Å; M207-E211 WeakPolarHBondContact O-CB 3.38Å; M207-E211 PolarHBondContact O-N 2.91Å; A208-E211 PolarHBondContact O-N 3.39Å; W209-E211 VanDerWaalsContact C-N 3.34Å; W209-E211 PolarHBondContact O-N 3.46Å; E211-V213 VanDerWaalsContact C-N 3.35Å; E211-V213 PolarHBondContact O-N 2.84Å; E211-A214 PolarHBondContact O-N 3.19Å; E211-T215 WeakPolarHBondContact O-CB 3.1Å; E211-T215 PolarHBondContact O-N 3.44Å; E211-T215 PolarHBondContact OE1-OG1 2.98Å; E211-L228 HydrophobicContact CG-CD2 3.96Å; E211-L287 HydrophobicContact CB-CD2 4.17Å; E211-L287 HydrophobicContact CG-CD2 4.13Å; E211-Y289 PolarHBondContact O-OH 2.92Å; E211-Y289 PolarHBondContact OE1-OH 3.14Å
212T96.7Very high96.6Very high69 Ų6924.9 Ų24.942%0.42313%0.128SC..Hα-helixtrans-57.8-47.5177.3-57.60000111.5A208 W209 M210 A214 I216A208-T212 PolarHBondContact O-N 2.98Å; A208-T212 VanDerWaalsContact O-N 3.13Å; A208-T212 PolarHBondContact O-OG1 2.83Å; W209-T212 PolarHBondContact O-N 2.78Å; M210-T212 VanDerWaalsContact C-N 3.35Å; T212-A214 VanDerWaalsContact C-N 3.35Å; T212-I216 HydrophobicContact CG2-CD1 4.47Å; T212-I216 WeakPolarHBondContact O-CG1 3.49Å; T212-I216 PolarHBondContact O-N 2.68Å
213V97.9Very high95.7Very high5 Ų530.3 Ų30.33%0.0315%0.154CC..Hα-helixtrans-68.4-36.3179.7-176.90000111.2V184 W209 M210 E211 I216 S217 F248 A250V184-V213 HydrophobicContact CB-CG1 3.94Å; V184-V213 HydrophobicContact CG1-CG1 3.72Å; W209-V213 WeakPolarHBondContact O-CG2 3.48Å; W209-V213 PolarHBondContact O-N 3.48Å; W209-V213 VanDerWaalsContact O-N 3.11Å; M210-V213 PolarHBondContact O-N 3.14Å; E211-V213 VanDerWaalsContact C-N 3.35Å; E211-V213 PolarHBondContact O-N 2.84Å; V213-I216 PolarHBondContact O-N 2.91Å; V213-S217 PolarHBondContact O-N 2.66Å; V213-F248 HydrophobicContact CB-CB 4.34Å; V213-F248 HydrophobicContact CG1-CB 4.25Å; V213-F248 HydrophobicContact CG2-CB 3.89Å; V213-F248 HydrophobicContact CG2-CG 4.37Å; V213-A250 HydrophobicContact CB-CB 4.46Å; V213-A250 HydrophobicContact CG1-CB 3.61Å
214A98.1Very high95.3Very high0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-68.1-43.117800000112.7M210 E211 T212 I216 S217 A218 V262 V264 L287 Y289M210-A214 VanDerWaalsContact O-CB 3.31Å; M210-A214 WeakPolarHBondContact O-CB 3.49Å; M210-A214 PolarHBondContact O-N 3.42Å; E211-A214 PolarHBondContact O-N 3.19Å; T212-A214 VanDerWaalsContact C-N 3.35Å; A214-I216 VanDerWaalsContact C-N 3.32Å; A214-I216 PolarHBondContact O-N 2.96Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.39Å; A214-S217 VanDerWaalsContact O-N 3.1Å; A214-A218 PolarHBondContact O-N 3.17Å; A214-V262 HydrophobicContact CB-CB 4.25Å; A214-V262 HydrophobicContact CB-CG1 3.84Å; A214-V264 HydrophobicContact CB-CG2 3.68Å; A214-L287 HydrophobicContact CB-CB 4.38Å; A214-L287 HydrophobicContact CB-CD1 4.07Å; A214-L287 HydrophobicContact CB-CD2 4.08Å; A214-L287 HydrophobicContact CB-CG 4.41Å; A214-Y289 HydrophobicContact CB-CE2 3.83Å
215T96.7Very high95.1Very high36 Ų3633.2 Ų33.222%0.22117%0.17CC..Hα-helixtrans-56.1-46.1174-90.10000110.9E211 S217 A218 S219 Y289E211-T215 WeakPolarHBondContact O-CB 3.1Å; E211-T215 PolarHBondContact O-N 3.44Å; E211-T215 PolarHBondContact OE1-OG1 2.98Å; T215-S217 VanDerWaalsContact C-N 3.29Å; T215-S217 PolarHBondContact O-N 3.28Å; T215-A218 PolarHBondContact O-N 3.22Å; T215-S219 PolarHBondContact O-N 3.35Å; T215-S219 PolarHBondContact O-OG 2.84Å; T215-S219 VanDerWaalsContact O-OG 3.14Å; T215-Y289 PolarHBondContact N-OH 3.41Å; T215-Y289 WeakPolarHBondContact OG1-CE1 3.34Å; T215-Y289 PolarHBondContact OG1-OH 2.85Å
216I96.7Very high95Very high74 Ų7432.7 Ų32.738%0.37917%0.168SC..Hα-helixtrans-61.2-40.1177.5-61.9164.6000110.9V184 T212 V213 A214 S219 R220V184-I216 HydrophobicContact CG1-CB 4.36Å; V184-I216 HydrophobicContact CG1-CG2 4.1Å; V184-I216 HydrophobicContact CG2-CB 4.17Å; V184-I216 HydrophobicContact CG2-CG2 3.74Å; T212-I216 HydrophobicContact CG2-CD1 4.47Å; T212-I216 WeakPolarHBondContact O-CG1 3.49Å; T212-I216 PolarHBondContact O-N 2.68Å; V213-I216 PolarHBondContact O-N 2.91Å; A214-I216 VanDerWaalsContact C-N 3.32Å; A214-I216 PolarHBondContact O-N 2.96Å; I216-S219 PolarHBondContact O-N 3.07Å; I216-R220 WeakPolarHBondContact O-CG 3.1Å; I216-R220 PolarHBondContact O-N 2.68Å; I216-R220 VanDerWaalsContact O-N 3.14Å
217S97.3Very high94.8Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-63.7-42.2176.9-173.60000111.8T182 V213 A214 T215 R220 I251 V252T182-S217 WeakPolarHBondContact O-CA 3.2Å; T182-S217 WeakPolarHBondContact O-CB 3.08Å; T182-S217 PolarHBondContact O-OG 2.92Å; V213-S217 PolarHBondContact O-N 2.66Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.39Å; A214-S217 VanDerWaalsContact O-N 3.1Å; T215-S217 VanDerWaalsContact C-N 3.29Å; T215-S217 PolarHBondContact O-N 3.28Å; S217-R220 PolarHBondContact O-N 3.35Å; S217-I251 WeakPolarHBondContact OG-CA 3.33Å; S217-V252 PolarHBondContact OG-N 3.21Å
218A96.6Very high94.7Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-64.9-44.5174.700000112.2A214 T215 R220 L221 C222 P226 V260 V262 Y289A214-A218 PolarHBondContact O-N 3.17Å; T215-A218 PolarHBondContact O-N 3.22Å; A218-R220 PolarHBondContact O-N 3Å; A218-L221 WeakPolarHBondContact O-CB 3.29Å; A218-L221 PolarHBondContact O-N 3.34Å; A218-C222 PolarHBondContact O-N 3.26Å; A218-C222 PolarHBondContact O-SG 3.43Å; A218-P226 HydrophobicContact CB-CB 3.95Å; A218-P226 HydrophobicContact CB-CG 3.94Å; A218-V260 HydrophobicContact CB-CG1 4.11Å; A218-V262 HydrophobicContact CB-CG2 4.02Å; A218-Y289 HydrophobicContact CB-CD2 4.1Å; A218-Y289 HydrophobicContact CB-CG 4.02Å
219S94.8Very high94.5Very high42 Ų4237.7 Ų37.729%0.29419%0.189SC..Hα-helixtrans-58-35.8177.9-65.40000112.4T215 I216 L221 H223 P226T215-S219 PolarHBondContact O-N 3.35Å; T215-S219 PolarHBondContact O-OG 2.84Å; T215-S219 VanDerWaalsContact O-OG 3.14Å; I216-S219 PolarHBondContact O-N 3.07Å; S219-L221 PolarHBondContact O-N 3Å; S219-H223 PolarHBondContact O-N 2.87Å; S219-P226 WeakPolarHBondContact OG-CD 3.3Å; S219-P226 VanDerWaalsContact OG-CG 3.28Å; S219-P226 WeakPolarHBondContact OG-CG 3.44Å
220R94.9Very high94.3Very high120 Ų12036.8 Ų36.845%0.45319%0.186SC..Hα-helixtrans-65.7-13.4176.4-74.5-177.7179.4-172.16.5114.1A181 S183 I216 S217 A218A181-R220 VanDerWaalsContact O-CD 3.31Å; A181-R220 WeakPolarHBondContact O-CD 3.36Å; A181-R220 PolarHBondContact O-NH1 2.98Å; S183-R220 PolarHBondContact O-NH1 2.78Å; I216-R220 WeakPolarHBondContact O-CG 3.1Å; I216-R220 PolarHBondContact O-N 2.68Å; I216-R220 VanDerWaalsContact O-N 3.14Å; S217-R220 PolarHBondContact O-N 3.35Å; A218-R220 PolarHBondContact O-N 3Å
221L94Very high94.1Very high16 Ų1636.7 Ų36.78%0.08419%0.186CC..Hα-helixtrans-98.2-45177.2-173.564.8000113.4A177 T182 A218 S219 V252 T255 V260 F301 P302 I304A177-L221 HydrophobicContact CB-CD1 3.76Å; T182-L221 HydrophobicContact CG2-CB 4.06Å; T182-L221 HydrophobicContact CG2-CD1 4.2Å; A218-L221 WeakPolarHBondContact O-CB 3.29Å; A218-L221 PolarHBondContact O-N 3.34Å; S219-L221 PolarHBondContact O-N 3Å; L221-V252 HydrophobicContact CB-CG2 4.43Å; L221-V252 HydrophobicContact CD2-CG1 4.06Å; L221-V252 HydrophobicContact CD2-CG2 4.16Å; L221-T255 HydrophobicContact CD2-CG2 3.57Å; L221-V260 HydrophobicContact CD2-CG2 3.83Å; L221-F301 HydrophobicContact CD2-CD1 3.86Å; L221-F301 HydrophobicContact CG-CD1 4.21Å; L221-P302 HydrophobicContact CD1-CG 3.78Å; L221-P302 HydrophobicContact CG-CG 4.11Å; L221-I304 HydrophobicContact CD1-CD1 4.2Å; L221-I304 HydrophobicContact CD2-CD1 4.13Å
222C88.2Confident94Very high16 Ų1636.4 Ų36.411%0.10819%0.185CC..Hα-helixtrans-95.1-16.4-171.353.40000115.6A218 G224 A291 I299 F301A218-C222 PolarHBondContact O-N 3.26Å; A218-C222 PolarHBondContact O-SG 3.43Å; C222-G224 PolarHBondContact O-N 2.83Å; C222-A291 HydrophobicContact CB-CB 4.11Å; C222-A291 VanDerWaalsContact SG-CB 3.58Å; C222-I299 HydrophobicContact CB-CD1 4.34Å; C222-I299 HydrophobicContact CB-CG2 4.21Å; C222-F301 HydrophobicContact CB-CD1 3.82Å; C222-F301 HydrophobicContact CB-CE1 3.4Å; C222-F301 VanDerWaalsContact CB-CE1 3.4Å; C222-F301 HydrophobicContact CB-CZ 4.15Å
223H78.3Confident93.8Very high174 Ų17433.6 Ų33.681%0.80617%0.167SC*.SBendtrans53.94.1-171.3-60.1-67000116.2S219S219-H223 PolarHBondContact O-N 2.87Å
224G88.8Confident93.7Very high14 Ų1433.9 Ų33.914%0.14417%0.168CC..SBendtrans-100.7-149.6167.400000112.4C222 P226C222-G224 PolarHBondContact O-N 2.83Å; G224-P226 WeakPolarHBondContact O-CD 3.45Å
225H93Very high93.6Very high51 Ų5137.9 Ų37.924%0.23619%0.185CC..EExtended strand (participates in β ladder)trans-112.299.8-172.3-55.4-74.6000111.2A291 V292 D294H225-A291 WeakPolarHBondContact O-CA 3.24Å; H225-V292 PolarHBondContact N-O 3.28Å; H225-V292 PolarHBondContact O-N 3.15Å; H225-D294 IonicContact CD2-OD1 2.92Å; H225-D294 IonicContact CE1-OD1 3.74Å; H225-D294 IonicContact NE2-OD1 2.79Å; H225-D294 PolarHBondContact NE2-OD1 2.74Å
226P94.6Very high93.6Very high12 Ų1237.6 Ų37.68%0.07818%0.181CC..EExtended strand (participates in β ladder)trans-69.6143.2178.8-15.529.8000111.8A218 S219 G224 Y289 N290A218-P226 HydrophobicContact CB-CB 3.95Å; A218-P226 HydrophobicContact CB-CG 3.94Å; S219-P226 WeakPolarHBondContact OG-CD 3.3Å; S219-P226 VanDerWaalsContact OG-CG 3.28Å; S219-P226 WeakPolarHBondContact OG-CG 3.44Å; G224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-Y289 HydrophobicContact CB-CD1 3.83Å; P226-Y289 HydrophobicContact CB-CG 4.33Å; P226-N290 CarbonylContact C-O 3.52Å; P226-N290 VanDerWaalsContact CA-O 3.24Å; P226-N290 WeakPolarHBondContact CA-O 3.32Å
227F94Very high93.5Very high51 Ų5140.7 Ų40.722%0.22419%0.188CC..EExtended strand (participates in β ladder)trans-134.2143168.462.6-83.2000109.7T65 K229 Y289 N290 V292 L298T65-F227 HydrophobicContact CG2-CB 4.25Å; T65-F227 HydrophobicContact CG2-CD2 4.16Å; T65-F227 HydrophobicContact CG2-CG 4.45Å; F227-K229 PolarHBondContact O-N 2.94Å; F227-Y289 VanDerWaalsContact C-CD1 3.49Å; F227-Y289 WeakPolarHBondContact O-CA 3.47Å; F227-Y289 WeakPolarHBondContact O-CD1 3.48Å; F227-N290 HydrophobicContact CD1-CB 4.26Å; F227-N290 HydrophobicContact CD2-CB 4.42Å; F227-N290 HydrophobicContact CE1-CB 3.53Å; F227-N290 HydrophobicContact CE2-CB 3.74Å; F227-N290 HydrophobicContact CZ-CB 3.25Å; F227-N290 PolarHBondContact N-O 2.87Å; F227-N290 PolarHBondContact O-N 2.89Å; F227-N290 VanDerWaalsContact O-N 3.08Å; F227-V292 HydrophobicContact CE1-CG1 4.02Å; F227-L298 HydrophobicContact CE1-CD2 4.27Å; F227-L298 HydrophobicContact CZ-CD2 4.06Å
228L96.1Very high93.1Very high11 Ų1142 Ų426%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-75.8116.5-172.9-174.165.8000110.6A29 L33 F62 E211 V231 L287 Y289A29-L228 HydrophobicContact CB-CB 3.65Å; A29-L228 HydrophobicContact CB-CD2 3.51Å; A29-L228 HydrophobicContact CB-CG 4.23Å; L33-L228 HydrophobicContact CD1-CD2 4.43Å; F62-L228 HydrophobicContact CD2-CD2 4.22Å; F62-L228 HydrophobicContact CD2-CG 4.07Å; F62-L228 WeakPolarHBondContact CD2-O 3.41Å; F62-L228 HydrophobicContact CE2-CD2 3.51Å; F62-L228 HydrophobicContact CE2-CG 3.85Å; F62-L228 HydrophobicContact CZ-CD2 4.18Å; E211-L228 HydrophobicContact CG-CD2 3.96Å; L228-V231 HydrophobicContact CD1-CG2 4.29Å; L228-V231 HydrophobicContact CD2-CG2 3.68Å; L228-V231 HydrophobicContact CG-CG2 4.34Å; L228-L287 HydrophobicContact CD1-CB 3.77Å; L228-L287 HydrophobicContact CD1-CD2 3.82Å; L228-L287 HydrophobicContact CD1-CG 4.23Å; L228-L287 HydrophobicContact CD2-CD2 4.28Å; L228-Y289 HydrophobicContact CB-CD1 4.28Å; L228-Y289 HydrophobicContact CB-CE1 3.84Å; L228-Y289 HydrophobicContact CD1-CD1 4.35Å; L228-Y289 HydrophobicContact CD1-CD2 4.3Å; L228-Y289 HydrophobicContact CD1-CE1 3.9Å; L228-Y289 HydrophobicContact CD1-CE2 3.86Å; L228-Y289 HydrophobicContact CG-CE1 4.47Å
229K93.5Very high92.9Very high61 Ų6145.7 Ų45.727%0.26523%0.226SC..EExtended strand (participates in β ladder)trans-86.6-44.8174.8173.4167.4172.3178.20111.9L61 F62 F227 I288 N290L61-K229 HydrophobicContact CD1-CG 4.1Å; F62-K229 PolarHBondContact N-O 3.14Å; F227-K229 PolarHBondContact O-N 2.94Å; K229-I288 PolarHBondContact N-O 3.11Å; K229-N290 WeakPolarHBondContact CB-OD1 3.47Å; K229-N290 WeakPolarHBondContact CD-OD1 3.19Å
230S93.6Very high93Very high4 Ų444 Ų443%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-154.4156.2179.463.50000113.8I60 I288I60-S230 CarbonylContact O-C 3.58Å; I60-S230 WeakPolarHBondContact O-CA 3.12Å; I60-S230 WeakPolarHBondContact O-CB 3.43Å; S230-I288 PolarHBondContact N-O 3.22Å; S230-I288 PolarHBondContact O-N 3.49Å; S230-I288 WeakPolarHBondContact OG-CB 2.92Å; S230-I288 VanDerWaalsContact OG-CG1 3.29Å; S230-I288 WeakPolarHBondContact OG-CG1 3.17Å
231V95.7Very high93Very high3 Ų341.1 Ų41.12%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-117.2124.7167.9-176.50000107.6L33 D59 I60 F62 L228 F234 L287L33-V231 HydrophobicContact CD1-CG2 4.34Å; D59-V231 WeakPolarHBondContact CA-O 3.29Å; I60-V231 HydrophobicContact CB-CB 4.42Å; I60-V231 PolarHBondContact N-O 3.12Å; I60-V231 PolarHBondContact O-N 3.43Å; F62-V231 HydrophobicContact CE2-CG2 4.3Å; L228-V231 HydrophobicContact CD1-CG2 4.29Å; L228-V231 HydrophobicContact CD2-CG2 3.68Å; L228-V231 HydrophobicContact CG-CG2 4.34Å; V231-F234 HydrophobicContact CG1-CD1 4.18Å; V231-F234 HydrophobicContact CG1-CE1 4.05Å; V231-L287 HydrophobicContact CG2-CD2 4.25Å; V231-L287 HydrophobicContact CG2-CG 4.29Å
232D94.2Very high93.1Very high5 Ų543.2 Ų43.23%0.02722%0.223CC..  trans-69.2150.2175.1-77.11.9000110.6D59 F234 F286 R321 R325D59-D232 WeakPolarHBondContact OD1-CA 3.29Å; D232-F234 WeakPolarHBondContact O-CD1 3.47Å; D232-F234 PolarHBondContact O-N 3.41Å; D232-F286 HydrophobicContact CB-CB 4.22Å; D232-F286 PolarHBondContact N-O 3.08Å; D232-R321 WeakPolarHBondContact OD2-CB 3.38Å; D232-R321 WeakPolarHBondContact OD2-CD 3.32Å; D232-R325 WeakPolarHBondContact OD1-CD 3.42Å; D232-R325 IonicContact OD1-NE 2.81Å; D232-R325 PolarHBondContact OD1-NE 3.3Å
233M93.5Very high93.5Very high11 Ų1143.9 Ų43.95%0.05423%0.233CC..  trans-51.6131.4174.3175.7-175.5-68.800111.4M57 D58 D59 V147 R148 H151 R328M57-M233 CarbonylContact O-C 3.49Å; M57-M233 VanDerWaalsContact O-CA 3.26Å; M57-M233 WeakPolarHBondContact O-CA 3.05Å; M57-M233 WeakPolarHBondContact O-CG 3.45Å; D58-M233 HydrophobicContact CB-CE 4.08Å; D59-M233 PolarHBondContact OD1-N 3.11Å; V147-M233 HydrophobicContact CG1-CE 4.3Å; R148-M233 HydrophobicContact CB-SD 4.27Å; R148-M233 HydrophobicContact CG-CE 3.8Å; R148-M233 HydrophobicContact CG-SD 3.89Å; H151-M233 HydrophobicContact CB-SD 4.11Å; H151-M233 PolarHBondContact NE2-O 3.25Å; M233-R328 PolarHBondContact SD-NH1 3.18Å; M233-R328 VanDerWaalsContact SD-NH1 3.45Å
234F94.8Very high94.4Very high10 Ų1035.8 Ų35.84%0.04420%0.195CC..EExtended strand (participates in β ladder)trans-146.3163.8176.872.8-87000112.4S56 M57 M207 V231 D232 F236 N283 S284 A285S56-F234 VanDerWaalsContact CA-O 3.26Å; S56-F234 WeakPolarHBondContact CA-O 3.43Å; S56-F234 WeakPolarHBondContact CB-O 3.48Å; M57-F234 HydrophobicContact CB-CD1 4.36Å; M57-F234 HydrophobicContact CB-CE1 3.86Å; M57-F234 HydrophobicContact CB-CZ 4.2Å; M57-F234 HydrophobicContact CG-CE1 4.43Å; M57-F234 HydrophobicContact CG-CZ 4.38Å; M57-F234 PolarHBondContact N-O 3.13Å; M57-F234 PolarHBondContact O-N 2.89Å; M207-F234 HydrophobicContact CG-CE1 4.47Å; M207-F234 HydrophobicContact CG-CZ 3.72Å; M207-F234 HydrophobicContact SD-CE1 4.18Å; M207-F234 HydrophobicContact SD-CZ 3.7Å; V231-F234 HydrophobicContact CG1-CD1 4.18Å; V231-F234 HydrophobicContact CG1-CE1 4.05Å; D232-F234 WeakPolarHBondContact O-CD1 3.47Å; D232-F234 PolarHBondContact O-N 3.41Å; F234-F236 HydrophobicContact CE2-CD2 4.18Å; F234-F236 HydrophobicContact CE2-CE1 4.13Å; F234-F236 AromaticContact CE2-CE2 3.64Å; F234-F236 HydrophobicContact CE2-CE2 3.64Å; F234-F236 AromaticContact CE2-CZ 3.63Å; F234-F236 HydrophobicContact CE2-CZ 3.63Å; F234-F236 HydrophobicContact CZ-CE2 4.11Å; F234-F236 HydrophobicContact CZ-CZ 4.06Å; F234-N283 HydrophobicContact CD2-CB 4.13Å; F234-N283 HydrophobicContact CE2-CB 4.44Å; F234-N283 WeakPolarHBondContact CE2-ND2 3.33Å; F234-S284 WeakPolarHBondContact CB-O 3.31Å; F234-A285 HydrophobicContact CB-CB 4.22Å; F234-A285 HydrophobicContact CD1-CB 3.8Å; F234-A285 HydrophobicContact CD2-CB 4.44Å; F234-A285 HydrophobicContact CE1-CB 4.28Å; F234-A285 HydrophobicContact CG-CB 3.89Å
235K96.2Very high94.9Very high85 Ų8538 Ų3837%0.3720%0.199SC..EExtended strand (participates in β ladder)trans-118.2143.1179.174.8-175.6-166.1-173.50111.9A55 E152 R237 N283A55-K235 WeakPolarHBondContact O-CA 3.48Å; E152-K235 WeakPolarHBondContact OE1-CE 3.34Å; E152-K235 IonicContact OE1-NZ 3.46Å; E152-K235 PolarHBondContact OE1-NZ 3.28Å; E152-K235 IonicContact OE2-NZ 2.92Å; E152-K235 PolarHBondContact OE2-NZ 2.97Å; K235-R237 HydrophobicContact CG-CG 4.08Å; K235-N283 VanDerWaalsContact O-CB 3.31Å; K235-N283 WeakPolarHBondContact O-CB 3.19Å
236F96.6Very high95.1Very high29 Ų2935.5 Ų35.513%0.12719%0.188CC..  trans-81.2114.9163.5-67.9-81.2000108.4T54 A55 I206 M207 F234 I282 N283T54-F236 HydrophobicContact CG2-CD2 3.99Å; T54-F236 HydrophobicContact CG2-CE2 3.65Å; T54-F236 WeakPolarHBondContact O-CD2 2.95Å; A55-F236 PolarHBondContact O-N 3.38Å; I206-F236 HydrophobicContact CB-CE1 4.14Å; I206-F236 HydrophobicContact CD1-CD1 4.49Å; I206-F236 HydrophobicContact CD1-CE1 4.05Å; I206-F236 HydrophobicContact CG2-CE1 4.14Å; M207-F236 HydrophobicContact CG-CZ 4.31Å; F234-F236 HydrophobicContact CE2-CD2 4.18Å; F234-F236 HydrophobicContact CE2-CE1 4.13Å; F234-F236 AromaticContact CE2-CE2 3.64Å; F234-F236 HydrophobicContact CE2-CE2 3.64Å; F234-F236 AromaticContact CE2-CZ 3.63Å; F234-F236 HydrophobicContact CE2-CZ 3.63Å; F234-F236 HydrophobicContact CZ-CE2 4.11Å; F234-F236 HydrophobicContact CZ-CZ 4.06Å; F236-I282 HydrophobicContact CD1-CG2 4Å; F236-N283 HydrophobicContact CD1-CB 4.22Å
237R94.6Very high95.3Very high139 Ų13935.5 Ų35.553%0.52519%0.187SC..  trans-83.4-29.1-173.6-64.1-179162.6-134.8-11.3112.9E152 K235 H281 I282E152-R237 IonicContact OE1-CZ 3.85Å; E152-R237 IonicContact OE1-NH2 2.63Å; E152-R237 PolarHBondContact OE1-NH2 3.22Å; K235-R237 HydrophobicContact CG-CG 4.08Å; R237-H281 WeakPolarHBondContact CB-O 3.03Å; R237-H281 WeakPolarHBondContact CD-ND1 3.13Å; R237-I282 WeakPolarHBondContact CB-O 3.28Å; R237-I282 PolarHBondContact N-O 3.35Å
238G89Confident95.5Very high28 Ų2833 Ų3329%0.28918%0.177SC..SBendtrans-149.6163.2-177.500000112.1
239P92.6Very high95.6Very high78 Ų7835.1 Ų35.151%0.50619%0.188SC..  trans-74.9156.5175.533.6-34.8000111.1R280 I282P239-R280 PolarHBondContact O-NH1 2.92Å; P239-I282 VanDerWaalsContact O-CD1 3.31Å; P239-I282 WeakPolarHBondContact O-CD1 3.36Å
240S96.1Very high95.9Very high7 Ų732.5 Ų32.55%0.04918%0.177CC..  trans-128.3141.1167.2169.40000108.1T201 D244T201-S240 WeakPolarHBondContact CB-O 3.38Å; T201-S240 PolarHBondContact N-O 2.82Å; T201-S240 WeakPolarHBondContact OG1-CB 3.44Å; T201-S240 PolarHBondContact OG1-O 3.36Å; T201-S240 PolarHBondContact OG1-OG 2.95Å; S240-D244 VanDerWaalsContact CA-OD2 3.25Å; S240-D244 WeakPolarHBondContact CA-OD2 3.19Å; S240-D244 PolarHBondContact OG-OD2 3.19Å
241T95.9Very high96.1Very high58 Ų5833 Ų3336%0.35618%0.18SC..BIsolated β-bridgetrans-125.6162.8-177.751.10000113.4G199 G243 D244G199-T241 CarbonylContact O-C 3.55Å; G199-T241 WeakPolarHBondContact O-CA 3.5Å; G199-T241 WeakPolarHBondContact O-CB 3.49Å; T241-G243 PolarHBondContact O-N 3.42Å; T241-D244 PolarHBondContact N-OD2 3.14Å; T241-D244 VanDerWaalsContact O-CB 3.27Å; T241-D244 WeakPolarHBondContact O-CB 3.47Å; T241-D244 PolarHBondContact O-N 3.04Å
242V96.8Very high96.2Very high60 Ų6032.9 Ų32.936%0.36418%0.179SC..THydrogen-bonded Turntrans-51.6129.9172.3179.50000110.1V190 P192 A195 G199V190-V242 HydrophobicContact CG1-CG2 4.48Å; P192-V242 HydrophobicContact CG-CG1 4.23Å; A195-V242 HydrophobicContact CB-CG2 3.37Å; G199-V242 PolarHBondContact O-N 3.06Å
243G96.2Very high96.3Very high31 Ų3132.9 Ų32.932%0.3218%0.179SC..THydrogen-bonded Turntrans97.7-14.1-174.200000114.7V190 T241 R245V190-G243 PolarHBondContact O-N 2.78Å; T241-G243 PolarHBondContact O-N 3.42Å; G243-R245 PolarHBondContact O-NH1 3.32Å
244D97.7Very high96.3Very high3 Ų332.5 Ų32.52%0.01618%0.177CC..PPolyproline II helixtrans-65.3141.5172.9-74.2-11.5000110.4V190 S240 T241 L246 A268 F269 R280V190-D244 HydrophobicContact CG2-CB 4.05Å; V190-D244 WeakPolarHBondContact CG2-O 3.37Å; V190-D244 PolarHBondContact N-O 3.45Å; S240-D244 VanDerWaalsContact CA-OD2 3.25Å; S240-D244 WeakPolarHBondContact CA-OD2 3.19Å; S240-D244 PolarHBondContact OG-OD2 3.19Å; T241-D244 PolarHBondContact N-OD2 3.14Å; T241-D244 VanDerWaalsContact O-CB 3.27Å; T241-D244 WeakPolarHBondContact O-CB 3.47Å; T241-D244 PolarHBondContact O-N 3.04Å; D244-L246 HydrophobicContact CB-CD2 4.45Å; D244-A268 HydrophobicContact CB-CB 4.41Å; D244-F269 CarbonylContact C-O 3.53Å; D244-F269 WeakPolarHBondContact CA-O 3.42Å; D244-R280 IonicContact OD1-CZ 2.68Å; D244-R280 IonicContact OD1-NH2 2.83Å; D244-R280 PolarHBondContact OD1-NH2 2.97Å; D244-R280 IonicContact OD2-CZ 2.92Å; D244-R280 IonicContact OD2-NH1 3.73Å; D244-R280 PolarHBondContact OD2-NH1 2.85Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 3.32Å
245R97.9Very high96.1Very high60 Ų6032.6 Ų32.623%0.22618%0.178CC..EExtended strand (participates in β ladder)trans-93.3120.8162.4-59.595-177.4132.4-2.4107.9I187 E188 L189 G243 A268 F269 C271 W274I187-R245 HydrophobicContact CD1-CB 4.06Å; I187-R245 HydrophobicContact CD1-CG 4.45Å; I187-R245 HydrophobicContact CG1-CB 4.24Å; E188-R245 WeakPolarHBondContact O-CA 3.44Å; L189-R245 HydrophobicContact CD1-CG 4.36Å; G243-R245 PolarHBondContact O-NH1 3.32Å; R245-A268 CarbonylContact O-C 3.57Å; R245-A268 WeakPolarHBondContact O-CA 3.25Å; R245-F269 WeakPolarHBondContact CD-O 3.48Å; R245-F269 PolarHBondContact N-O 3.06Å; R245-F269 PolarHBondContact O-N 2.82Å; R245-C271 VanDerWaalsContact CZ-SG 3.57Å; R245-C271 VanDerWaalsContact NH1-N 3.19Å; R245-C271 PolarHBondContact NH1-SG 3.5Å; R245-C271 PolarHBondContact NH2-SG 3.3Å; R245-W274 HydrophobicContact CB-CE3 4.41Å
246L98.1Very high95.6Very high0 Ų029 Ų290%016%0.163CC..EExtended strand (participates in β ladder)trans-97.1117.8175.3-62-173.4000109.4I187 E188 V190 I206 W209 D244 F248 V266 E267 A268 I282I187-L246 WeakPolarHBondContact CA-O 3.17Å; E188-L246 PolarHBondContact N-O 2.98Å; E188-L246 PolarHBondContact O-N 3.26Å; V190-L246 HydrophobicContact CG2-CD1 3.9Å; V190-L246 HydrophobicContact CG2-CG 3.81Å; I206-L246 HydrophobicContact CD1-CD1 4.24Å; I206-L246 HydrophobicContact CG1-CD1 3.92Å; W209-L246 HydrophobicContact CE3-CD1 4.15Å; W209-L246 HydrophobicContact CZ3-CD1 3.82Å; D244-L246 HydrophobicContact CB-CD2 4.45Å; L246-F248 HydrophobicContact CB-CD2 4.39Å; L246-F248 HydrophobicContact CB-CE2 3.47Å; L246-F248 VanDerWaalsContact CB-CE2 3.47Å; L246-F248 HydrophobicContact CB-CZ 3.67Å; L246-F248 HydrophobicContact CD1-CZ 4.02Å; L246-F248 WeakPolarHBondContact O-CD2 3.35Å; L246-F248 WeakPolarHBondContact O-CE2 3.49Å; L246-V266 HydrophobicContact CB-CG1 4.43Å; L246-E267 CarbonylContact C-O 3.59Å; L246-E267 WeakPolarHBondContact CA-O 3.22Å; L246-A268 HydrophobicContact CD2-CB 3.4Å; L246-A268 VanDerWaalsContact CD2-CB 3.4Å; L246-I282 HydrophobicContact CD2-CG1 4.43Å
247V98.3Very high95.1Very high11 Ų1131.3 Ų31.37%0.06717%0.174CC..EExtended strand (participates in β ladder)trans-96.7122.3174.1-177.80000108.8Q185 I187 V266 E267 F269 W274Q185-V247 HydrophobicContact CG-CG1 4.16Å; I187-V247 HydrophobicContact CD1-CG2 4.18Å; I187-V247 HydrophobicContact CG1-CG2 4.24Å; V247-V266 WeakPolarHBondContact O-CA 3.28Å; V247-E267 PolarHBondContact N-O 3.3Å; V247-E267 PolarHBondContact O-N 3.25Å; V247-F269 HydrophobicContact CB-CE2 4.16Å; V247-F269 HydrophobicContact CG2-CD2 3.98Å; V247-F269 HydrophobicContact CG2-CE2 3.66Å; V247-W274 HydrophobicContact CG2-CH2 4.39Å; V247-W274 HydrophobicContact CG2-CZ3 3.78Å
248F98.5Very high94.7Very high0 Ų027 Ų270%016%0.162CC..EExtended strand (participates in β ladder)trans-107.7116.8178.7-59.5-95000108.7Q185 S186 E188 I206 W209 M210 V213 L246 V264 V266Q185-F248 VanDerWaalsContact CA-O 3.27Å; Q185-F248 WeakPolarHBondContact CA-O 3.44Å; S186-F248 PolarHBondContact N-O 2.93Å; S186-F248 PolarHBondContact O-N 3.37Å; E188-F248 HydrophobicContact CB-CE2 3.99Å; E188-F248 HydrophobicContact CG-CD2 4.4Å; E188-F248 HydrophobicContact CG-CE2 3.9Å; I206-F248 HydrophobicContact CG2-CE1 4.11Å; W209-F248 HydrophobicContact CB-CD1 4.39Å; W209-F248 HydrophobicContact CB-CE1 3.78Å; W209-F248 HydrophobicContact CB-CE2 3.97Å; W209-F248 HydrophobicContact CB-CZ 3.55Å; W209-F248 HydrophobicContact CD2-CZ 4.24Å; W209-F248 HydrophobicContact CE3-CE2 4.28Å; W209-F248 AromaticContact CE3-CZ 3.75Å; W209-F248 HydrophobicContact CE3-CZ 3.75Å; W209-F248 HydrophobicContact CG-CE2 4.5Å; W209-F248 HydrophobicContact CG-CZ 4.24Å; M210-F248 HydrophobicContact CG-CD1 3.8Å; M210-F248 HydrophobicContact CG-CE1 3.77Å; V213-F248 HydrophobicContact CB-CB 4.34Å; V213-F248 HydrophobicContact CG1-CB 4.25Å; V213-F248 HydrophobicContact CG2-CB 3.89Å; V213-F248 HydrophobicContact CG2-CG 4.37Å; L246-F248 HydrophobicContact CB-CD2 4.39Å; L246-F248 HydrophobicContact CB-CE2 3.47Å; L246-F248 VanDerWaalsContact CB-CE2 3.47Å; L246-F248 HydrophobicContact CB-CZ 3.67Å; L246-F248 HydrophobicContact CD1-CZ 4.02Å; L246-F248 WeakPolarHBondContact O-CD2 3.35Å; L246-F248 WeakPolarHBondContact O-CE2 3.49Å; F248-V264 HydrophobicContact CD1-CG1 4.49Å; F248-V266 HydrophobicContact CD1-CB 4.41Å; F248-V266 HydrophobicContact CD1-CG1 4.13Å; F248-V266 HydrophobicContact CD1-CG2 3.62Å; F248-V266 HydrophobicContact CE1-CB 4.36Å; F248-V266 HydrophobicContact CE1-CG1 3.72Å; F248-V266 HydrophobicContact CE1-CG2 3.7Å; F248-V266 HydrophobicContact CZ-CG1 4.1Å
249N98.3Very high94.9Very high55 Ų5526.3 Ų26.329%0.29415%0.152SC..EExtended strand (participates in β ladder)trans-112.3111.8174.8-65.8-54.4000108.9Q185 V264 R265Q185-N249 WeakPolarHBondContact CG-OD1 3.46Å; Q185-N249 PolarHBondContact NE2-OD1 3.01Å; N249-V264 CarbonylContact O-C 3.57Å; N249-V264 WeakPolarHBondContact O-CA 3.45Å; N249-R265 PolarHBondContact N-O 2.99Å; N249-R265 PolarHBondContact O-N 3.5Å
250A98.5Very high95Very high5 Ų522.6 Ų22.64%0.04113%0.128CC..EExtended strand (participates in β ladder)trans-112.7145.8177.600000111.9S183 V184 V213 V262 G263 V264S183-A250 CarbonylContact C-O 3.43Å; S183-A250 WeakPolarHBondContact CA-O 3.24Å; V184-A250 PolarHBondContact N-O 2.85Å; V184-A250 PolarHBondContact O-N 2.8Å; V213-A250 HydrophobicContact CB-CB 4.46Å; V213-A250 HydrophobicContact CG1-CB 3.61Å; A250-V262 HydrophobicContact CB-CG1 4.09Å; A250-G263 VanDerWaalsContact CA-O 3.24Å; A250-G263 WeakPolarHBondContact CA-O 3.03Å; A250-V264 HydrophobicContact CB-CG1 4.47Å; A250-V264 HydrophobicContact CB-CG2 3.88Å
251I98.3Very high95.1Very high16 Ų1622.2 Ų22.28%0.08213%0.125CC..EExtended strand (participates in β ladder)trans-154.5150.4171.2-162.2170000109.9T179 T182 S217 N253 V262 G263T179-I251 WeakPolarHBondContact O-CG1 3.47Å; T182-I251 WeakPolarHBondContact OG1-CG1 3.46Å; S217-I251 WeakPolarHBondContact OG-CA 3.33Å; I251-N253 PolarHBondContact O-N 3.03Å; I251-V262 WeakPolarHBondContact O-CA 3.21Å; I251-G263 PolarHBondContact N-O 3.17Å; I251-G263 PolarHBondContact O-N 3.32Å
252V97.8Very high95.2Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-64.6131.1167.8172.40000109.6T179 T182 S217 L221 V260 V262 I304T179-V252 WeakPolarHBondContact CG2-O 3.47Å; T182-V252 HydrophobicContact CG2-CB 4.18Å; T182-V252 HydrophobicContact CG2-CG2 3.84Å; T182-V252 WeakPolarHBondContact OG1-CB 3.23Å; T182-V252 PolarHBondContact OG1-N 2.97Å; T182-V252 VanDerWaalsContact OG1-N 3.11Å; S217-V252 PolarHBondContact OG-N 3.21Å; L221-V252 HydrophobicContact CB-CG2 4.43Å; L221-V252 HydrophobicContact CD2-CG1 4.06Å; L221-V252 HydrophobicContact CD2-CG2 4.16Å; V252-V260 HydrophobicContact CB-CG2 4.26Å; V252-V260 HydrophobicContact CG1-CG2 3.5Å; V252-V260 VanDerWaalsContact CG1-CG2 3.5Å; V252-V260 HydrophobicContact CG2-CG2 3.8Å; V252-V262 HydrophobicContact CG2-CG2 4.13Å; V252-I304 HydrophobicContact CG1-CD1 3.89Å; V252-I304 HydrophobicContact CG1-CG1 4.06Å
253N96.4Very high95.2Very high4 Ų417 Ų172%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-96.2-44.9177-68.3-21.7000112.1I251 E261 G263 R314 Y315 A318 R321I251-N253 PolarHBondContact O-N 3.03Å; N253-E261 VanDerWaalsContact CB-OE1 3.27Å; N253-E261 WeakPolarHBondContact CB-OE1 3.43Å; N253-E261 PolarHBondContact N-O 3.37Å; N253-E261 PolarHBondContact ND2-OE1 2.83Å; N253-G263 PolarHBondContact ND2-N 2.85Å; N253-R314 HydrophobicContact CB-CB 4.01Å; N253-R314 WeakPolarHBondContact OD1-CB 3.29Å; N253-R314 WeakPolarHBondContact OD1-CD 3.35Å; N253-R314 WeakPolarHBondContact OD1-CG 3.37Å; N253-Y315 WeakPolarHBondContact O-CA 3.35Å; N253-A318 HydrophobicContact CB-CB 4.13Å; N253-R321 PolarHBondContact ND2-NH2 3.09Å
254N93.1Very high95.4Very high3 Ų315.7 Ų15.72%0.0168%0.081CC..EExtended strand (participates in β ladder)trans-163.5164.7179.3-156.9-4.2000111.2F256 E261 Y315 A318N254-F256 HydrophobicContact CB-CE2 4.46Å; N254-F256 HydrophobicContact CB-CZ 4.24Å; N254-E261 PolarHBondContact O-N 2.99Å; N254-Y315 HydrophobicContact CB-CD2 4.15Å; N254-Y315 WeakPolarHBondContact ND2-CD2 3.31Å; N254-Y315 VanDerWaalsContact ND2-CE2 3.29Å; N254-Y315 WeakPolarHBondContact ND2-CE2 3.44Å; N254-Y315 WeakPolarHBondContact OD1-CD2 3.33Å; N254-Y315 WeakPolarHBondContact OD1-CE2 3.03Å; N254-A318 HydrophobicContact CB-CB 3.46Å; N254-A318 VanDerWaalsContact CB-CB 3.46Å
255T90.7Very high95.4Very high13 Ų1320 Ų208%0.0810%0.097CC..EExtended strand (participates in β ladder)trans-120.8149.6173.652.70000111.1L221 S259 V260 F301 P302 I304L221-T255 HydrophobicContact CD2-CG2 3.57Å; T255-S259 CarbonylContact C-O 3.53Å; T255-S259 WeakPolarHBondContact CA-O 3.24Å; T255-V260 HydrophobicContact CG2-CB 4.08Å; T255-V260 HydrophobicContact CG2-CG2 3.83Å; T255-F301 HydrophobicContact CG2-CB 3.6Å; T255-F301 HydrophobicContact CG2-CG 4.24Å; T255-P302 WeakPolarHBondContact CB-O 3.27Å; T255-P302 WeakPolarHBondContact CG2-O 3.46Å; T255-P302 PolarHBondContact OG1-O 3.22Å; T255-I304 HydrophobicContact CG2-CD1 4.21Å; T255-I304 HydrophobicContact CG2-CG1 3.78Å; T255-I304 PolarHBondContact OG1-N 2.73Å
256F86.7Confident95.4Very high10 Ų1017.1 Ų17.14%0.0449%0.086CC..EExtended strand (participates in β ladder)trans-139.480.9-178-59.7-63000107.9N254 N258 S259 A318 I319 R322 E370N254-F256 HydrophobicContact CB-CE2 4.46Å; N254-F256 HydrophobicContact CB-CZ 4.24Å; F256-N258 PolarHBondContact O-N 2.88Å; F256-S259 WeakPolarHBondContact CB-OG 3.48Å; F256-S259 PolarHBondContact N-O 2.89Å; F256-S259 PolarHBondContact O-N 3.48Å; F256-S259 PolarHBondContact O-OG 2.73Å; F256-S259 VanDerWaalsContact O-OG 3.07Å; F256-A318 HydrophobicContact CE2-CB 4.31Å; F256-A318 HydrophobicContact CZ-CB 4.13Å; F256-I319 HydrophobicContact CE1-CG1 4.16Å; F256-I319 HydrophobicContact CZ-CG1 4.3Å; F256-R322 VanDerWaalsContact CB-NH1 3.3Å; F256-R322 HydrophobicContact CE2-CB 4.18Å; F256-R322 VanDerWaalsContact CG-NH1 3.29Å; F256-R322 HydrophobicContact CZ-CB 4.09Å; F256-E370 WeakPolarHBondContact CD1-OE2 3.47Å
257Q84.7Confident95.4Very high76 Ų7619.2 Ų19.236%0.35510%0.096SC..THydrogen-bonded Turntrans50.9-101.2-173.8-63.9162.248.100111.4S259 F301 G368 E370Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.33Å; Q257-F301 WeakPolarHBondContact O-CB 3.36Å; Q257-F301 PolarHBondContact O-N 3.47Å; Q257-G368 VanDerWaalsContact CD-CA 3.49Å; Q257-G368 VanDerWaalsContact NE2-C 3.31Å; Q257-G368 PolarHBondContact NE2-O 2.9Å; Q257-E370 PolarHBondContact NE2-OE1 3.42Å; Q257-E370 VanDerWaalsContact NE2-OE1 3.12Å
258N87.3Confident95.4Very high50 Ų5018.7 Ų18.727%0.2679%0.092SC..THydrogen-bonded Turntrans-89.46.4-174.3-58.49.7000112.8F256 N290 I299 T300 F301F256-N258 PolarHBondContact O-N 2.88Å; N258-N290 PolarHBondContact O-ND2 3.4Å; N258-I299 WeakPolarHBondContact CA-O 3.35Å; N258-T300 PolarHBondContact OD1-OG1 3Å; N258-F301 VanDerWaalsContact O-CE2 3.31Å; N258-F301 WeakPolarHBondContact O-CE2 3.39Å
259S92Very high95.3Very high12 Ų1219.5 Ų19.58%0.08410%0.096CC..EExtended strand (participates in β ladder)trans-127.2148.8178.262.30000112.9T255 F256 Q257 Y289T255-S259 CarbonylContact C-O 3.53Å; T255-S259 WeakPolarHBondContact CA-O 3.24Å; F256-S259 WeakPolarHBondContact CB-OG 3.48Å; F256-S259 PolarHBondContact N-O 2.89Å; F256-S259 PolarHBondContact O-N 3.48Å; F256-S259 PolarHBondContact O-OG 2.73Å; F256-S259 VanDerWaalsContact O-OG 3.07Å; Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.33Å; S259-Y289 CarbonylContact C-O 3.6Å; S259-Y289 VanDerWaalsContact CA-O 3.22Å; S259-Y289 WeakPolarHBondContact CA-O 3.28Å
260V95.1Very high95.2Very high0 Ų019.7 Ų19.70%010%0.097CC..EExtended strand (participates in β ladder)trans-127.3134.8176.962.20000109.8A218 L221 V252 T255 I288 Y289 F301A218-V260 HydrophobicContact CB-CG1 4.11Å; L221-V260 HydrophobicContact CD2-CG2 3.83Å; V252-V260 HydrophobicContact CB-CG2 4.26Å; V252-V260 HydrophobicContact CG1-CG2 3.5Å; V252-V260 VanDerWaalsContact CG1-CG2 3.5Å; V252-V260 HydrophobicContact CG2-CG2 3.8Å; T255-V260 HydrophobicContact CG2-CB 4.08Å; T255-V260 HydrophobicContact CG2-CG2 3.83Å; V260-I288 WeakPolarHBondContact O-CA 3.42Å; V260-Y289 PolarHBondContact N-O 3.29Å; V260-Y289 PolarHBondContact O-N 3.24Å; V260-F301 HydrophobicContact CB-CD1 3.98Å; V260-F301 HydrophobicContact CB-CD2 4.34Å; V260-F301 HydrophobicContact CB-CE1 3.85Å; V260-F301 HydrophobicContact CB-CE2 4.26Å; V260-F301 HydrophobicContact CB-CG 4.22Å; V260-F301 HydrophobicContact CB-CZ 4.02Å; V260-F301 HydrophobicContact CG1-CD1 4.15Å; V260-F301 HydrophobicContact CG1-CE1 3.49Å; V260-F301 VanDerWaalsContact CG1-CE1 3.49Å; V260-F301 HydrophobicContact CG1-CE2 4.08Å; V260-F301 HydrophobicContact CG1-CZ 3.47Å; V260-F301 VanDerWaalsContact CG1-CZ 3.47Å
261E97.7Very high94.8Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-95.1123.9170.9-174.6-167.491.900110.1N253 N254 F286 L287 I288 A318 R321N253-E261 VanDerWaalsContact CB-OE1 3.27Å; N253-E261 WeakPolarHBondContact CB-OE1 3.43Å; N253-E261 PolarHBondContact N-O 3.37Å; N253-E261 PolarHBondContact ND2-OE1 2.83Å; N254-E261 PolarHBondContact O-N 2.99Å; E261-F286 HydrophobicContact CG-CB 4.18Å; E261-L287 WeakPolarHBondContact CA-O 3.35Å; E261-I288 HydrophobicContact CB-CD1 3.59Å; E261-I288 HydrophobicContact CG-CD1 3.55Å; E261-A318 HydrophobicContact CB-CB 4.4Å; E261-A318 WeakPolarHBondContact OE1-CA 3.28Å; E261-A318 WeakPolarHBondContact OE1-CB 2.96Å; E261-A318 WeakPolarHBondContact OE2-CA 3.46Å; E261-R321 IonicContact OE1-CZ 3.26Å; E261-R321 IonicContact OE1-NE 3.6Å; E261-R321 PolarHBondContact OE1-NE 3.49Å; E261-R321 IonicContact OE1-NH2 3.1Å; E261-R321 PolarHBondContact OE1-NH2 3.4Å; E261-R321 IonicContact OE2-CZ 3.57Å; E261-R321 IonicContact OE2-NE 2.89Å; E261-R321 PolarHBondContact OE2-NE 2.73Å; E261-R321 IonicContact OE2-NH2 3.09Å
262V98.5Very high94.6Very high0 Ų031 Ų310%015%0.15CC..EExtended strand (participates in β ladder)trans-108.7122.2171.9-177.50000109.2A214 A218 A250 I251 V252 V264 F286 L287 Y289A214-V262 HydrophobicContact CB-CB 4.25Å; A214-V262 HydrophobicContact CB-CG1 3.84Å; A218-V262 HydrophobicContact CB-CG2 4.02Å; A250-V262 HydrophobicContact CB-CG1 4.09Å; I251-V262 WeakPolarHBondContact O-CA 3.21Å; V252-V262 HydrophobicContact CG2-CG2 4.13Å; V262-V264 HydrophobicContact CG1-CG2 4.49Å; V262-F286 WeakPolarHBondContact O-CA 3.38Å; V262-L287 PolarHBondContact N-O 3.05Å; V262-L287 PolarHBondContact O-N 2.89Å; V262-Y289 HydrophobicContact CG2-CD2 4.13Å; V262-Y289 HydrophobicContact CG2-CE2 4.44Å
263G98.4Very high94.4Very high8 Ų832.9 Ų32.98%0.08216%0.159CC..EExtended strand (participates in β ladder)trans-91132.1172.700000110.9A250 I251 N253A250-G263 VanDerWaalsContact CA-O 3.24Å; A250-G263 WeakPolarHBondContact CA-O 3.03Å; I251-G263 PolarHBondContact N-O 3.17Å; I251-G263 PolarHBondContact O-N 3.32Å; N253-G263 PolarHBondContact ND2-N 2.85Å
264V98.5Very high94.2Very high3 Ų338.4 Ų38.42%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-119.4130.8174.9-169.70000109.9M210 A214 F248 N249 A250 V262 V266 S284 A285 L287M210-V264 HydrophobicContact CB-CG1 4.27Å; M210-V264 HydrophobicContact CG-CG1 4.1Å; A214-V264 HydrophobicContact CB-CG2 3.68Å; F248-V264 HydrophobicContact CD1-CG1 4.49Å; N249-V264 CarbonylContact O-C 3.57Å; N249-V264 WeakPolarHBondContact O-CA 3.45Å; A250-V264 HydrophobicContact CB-CG1 4.47Å; A250-V264 HydrophobicContact CB-CG2 3.88Å; V262-V264 HydrophobicContact CG1-CG2 4.49Å; V264-V266 HydrophobicContact CG1-CG2 4.46Å; V264-S284 CarbonylContact O-C 3.53Å; V264-S284 WeakPolarHBondContact O-CA 3.43Å; V264-A285 PolarHBondContact N-O 3.44Å; V264-A285 PolarHBondContact O-N 3.4Å; V264-L287 HydrophobicContact CG2-CD1 3.76Å
265R98.3Very high94.2Very high94 Ų9442.3 Ų42.336%0.35521%0.212SC..EExtended strand (participates in β ladder)trans-111.6131.2170.9176.9178.817680.40.7109.6N249 E267 H281N249-R265 PolarHBondContact N-O 2.99Å; N249-R265 PolarHBondContact O-N 3.5Å; R265-E267 HydrophobicContact CG-CG 4.41Å; R265-E267 IonicContact CZ-OE1 3.89Å; R265-E267 IonicContact NE-OE1 3.93Å; R265-E267 PolarHBondContact NE-OE1 3.17Å; R265-E267 IonicContact NH2-OE1 2.93Å; R265-E267 PolarHBondContact NH2-OE1 3.47Å; R265-H281 PolarHBondContact NH1-CD2 3.34Å; R265-H281 VanDerWaalsContact NH1-CD2 3.34Å; R265-H281 PolarHBondContact NH1-CE1 3.13Å; R265-H281 VanDerWaalsContact NH1-CE1 3.28Å; R265-H281 VanDerWaalsContact NH1-CG 3.3Å; R265-H281 PolarHBondContact NH1-ND1 2.88Å; R265-H281 PolarHBondContact NH1-NE2 3.49Å
266V98.5Very high94.4Very high0 Ų046.2 Ų46.20%023%0.229CC..EExtended strand (participates in β ladder)trans-113.3124.9178.8-170.60000110.2I206 M210 L246 V247 F248 V264 H281 I282 N283I206-V266 HydrophobicContact CG2-CG1 4.14Å; I206-V266 HydrophobicContact CG2-CG2 4.28Å; M210-V266 HydrophobicContact CG-CG2 3.57Å; M210-V266 HydrophobicContact SD-CG2 3.83Å; L246-V266 HydrophobicContact CB-CG1 4.43Å; V247-V266 WeakPolarHBondContact O-CA 3.28Å; F248-V266 HydrophobicContact CD1-CB 4.41Å; F248-V266 HydrophobicContact CD1-CG1 4.13Å; F248-V266 HydrophobicContact CD1-CG2 3.62Å; F248-V266 HydrophobicContact CE1-CB 4.36Å; F248-V266 HydrophobicContact CE1-CG1 3.72Å; F248-V266 HydrophobicContact CE1-CG2 3.7Å; F248-V266 HydrophobicContact CZ-CG1 4.1Å; V264-V266 HydrophobicContact CG1-CG2 4.46Å; V266-H281 PolarHBondContact O-CD2 2.82Å; V266-I282 HydrophobicContact CB-CB 4.39Å; V266-I282 HydrophobicContact CG1-CB 4.25Å; V266-I282 PolarHBondContact O-N 3.1Å; V266-N283 WeakPolarHBondContact CB-OD1 3.41Å; V266-N283 WeakPolarHBondContact CG2-OD1 3.5Å; V266-N283 PolarHBondContact N-O 2.79Å
267E97.9Very high94.7Very high43 Ų4348.5 Ų48.520%0.20126%0.256CS..EExtended strand (participates in β ladder)trans-121135.6174.8-67.3179.3159.500110.2L246 V247 R265 F269 R280L246-E267 CarbonylContact C-O 3.59Å; L246-E267 WeakPolarHBondContact CA-O 3.22Å; V247-E267 PolarHBondContact N-O 3.3Å; V247-E267 PolarHBondContact O-N 3.25Å; R265-E267 HydrophobicContact CG-CG 4.41Å; R265-E267 IonicContact CZ-OE1 3.89Å; R265-E267 IonicContact NE-OE1 3.93Å; R265-E267 PolarHBondContact NE-OE1 3.17Å; R265-E267 IonicContact NH2-OE1 2.93Å; R265-E267 PolarHBondContact NH2-OE1 3.47Å; E267-F269 HydrophobicContact CB-CE2 3.7Å; E267-F269 HydrophobicContact CB-CZ 4.2Å; E267-R280 CarbonylContact C-O 3.57Å; E267-R280 VanDerWaalsContact CA-O 3.32Å; E267-R280 WeakPolarHBondContact CA-O 3.28Å
268A97.9Very high95.1Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-104.5143.6175.500000111.2D244 R245 L246 G279 R280 I282D244-A268 HydrophobicContact CB-CB 4.41Å; R245-A268 CarbonylContact O-C 3.57Å; R245-A268 WeakPolarHBondContact O-CA 3.25Å; L246-A268 HydrophobicContact CD2-CB 3.4Å; L246-A268 VanDerWaalsContact CD2-CB 3.4Å; A268-G279 CarbonylContact O-C 3.58Å; A268-G279 WeakPolarHBondContact O-CA 3.32Å; A268-R280 HydrophobicContact CB-CB 4.48Å; A268-R280 PolarHBondContact N-O 2.9Å; A268-R280 PolarHBondContact O-N 2.83Å; A268-I282 HydrophobicContact CB-CD1 3.64Å; A268-I282 HydrophobicContact CB-CG1 3.55Å
269F97.7Very high95.4Very high18 Ų1850.3 Ų50.38%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-136.8121.1175.4-57.6-101.5000109.7D244 R245 V247 E267 E273 W274 G279D244-F269 CarbonylContact C-O 3.53Å; D244-F269 WeakPolarHBondContact CA-O 3.42Å; R245-F269 WeakPolarHBondContact CD-O 3.48Å; R245-F269 PolarHBondContact N-O 3.06Å; R245-F269 PolarHBondContact O-N 2.82Å; V247-F269 HydrophobicContact CB-CE2 4.16Å; V247-F269 HydrophobicContact CG2-CD2 3.98Å; V247-F269 HydrophobicContact CG2-CE2 3.66Å; E267-F269 HydrophobicContact CB-CE2 3.7Å; E267-F269 HydrophobicContact CB-CZ 4.2Å; F269-E273 HydrophobicContact CB-CB 4.36Å; F269-W274 HydrophobicContact CB-CB 3.91Å; F269-W274 HydrophobicContact CB-CE3 3.75Å; F269-W274 HydrophobicContact CD1-CE3 4.05Å; F269-W274 AromaticContact CD2-CE3 3.87Å; F269-W274 HydrophobicContact CD2-CE3 3.87Å; F269-W274 HydrophobicContact CD2-CZ3 4.04Å; F269-W274 HydrophobicContact CE2-CE3 4.49Å; F269-W274 HydrophobicContact CE2-CZ3 4.33Å; F269-W274 AromaticContact CG-CE3 3.64Å; F269-W274 HydrophobicContact CG-CE3 3.64Å; F269-W274 HydrophobicContact CG-CZ3 4.27Å; F269-G279 VanDerWaalsContact CD1-CA 3.49Å; F269-G279 VanDerWaalsContact CE1-N 3.26Å
270D94.9Very high95.7Very high58 Ų5852.8 Ų52.831%0.3128%0.279SS..  trans-70.2178160.477.229000110.7R272 E273 W274D270-R272 PolarHBondContact O-N 2.64Å; D270-R272 WeakPolarHBondContact OD1-CA 3.44Å; D270-R272 WeakPolarHBondContact OD1-CB 3.36Å; D270-R272 PolarHBondContact OD1-N 3.29Å; D270-E273 PolarHBondContact N-OE2 2.89Å; D270-E273 WeakPolarHBondContact OD1-CB 3.42Å; D270-E273 WeakPolarHBondContact OD1-CG 3.36Å; D270-E273 PolarHBondContact OD1-N 3.22Å; D270-W274 WeakPolarHBondContact O-CB 3.43Å; D270-W274 PolarHBondContact O-N 3.21Å
271C90.7Very high95.8Very high86 Ų8654.7 Ų54.758%0.58129%0.287SS*.Hα-helixtrans-58.1-35.3-178.4-670000113.2R245 A275R245-C271 VanDerWaalsContact CZ-SG 3.57Å; R245-C271 VanDerWaalsContact NH1-N 3.19Å; R245-C271 PolarHBondContact NH1-SG 3.5Å; R245-C271 PolarHBondContact NH2-SG 3.3Å; C271-A275 PolarHBondContact O-N 3.47Å
272R92.9Very high95.8Very high173 Ų17354.8 Ų54.865%0.65329%0.288SS*.Hα-helixtrans-82.5-49.1-176.2-178.3-177.1176.3-175.1-1.2110.5D270 W274 A275 E276D270-R272 PolarHBondContact O-N 2.64Å; D270-R272 WeakPolarHBondContact OD1-CA 3.44Å; D270-R272 WeakPolarHBondContact OD1-CB 3.36Å; D270-R272 PolarHBondContact OD1-N 3.29Å; R272-W274 PolarHBondContact O-N 2.92Å; R272-A275 PolarHBondContact O-N 2.85Å; R272-E276 WeakPolarHBondContact CG-OE1 2.9Å; R272-E276 IonicContact CZ-OE1 3.4Å; R272-E276 IonicContact NE-OE1 2.77Å; R272-E276 PolarHBondContact NE-OE1 2.83Å; R272-E276 IonicContact NH2-OE1 3.39Å; R272-E276 PolarHBondContact NH2-OE1 2.78Å; R272-E276 WeakPolarHBondContact O-CG 3.39Å; R272-E276 PolarHBondContact O-N 2.93Å
273E94.9Very high95.7Very high39 Ų3954.8 Ų54.818%0.18229%0.288CS..Hα-helixtrans-54.2-38.6173.2-70.9175.4151.200111.1F269 D270 E276 G277 Q278 R280F269-E273 HydrophobicContact CB-CB 4.36Å; D270-E273 PolarHBondContact N-OE2 2.89Å; D270-E273 WeakPolarHBondContact OD1-CB 3.42Å; D270-E273 WeakPolarHBondContact OD1-CG 3.36Å; D270-E273 PolarHBondContact OD1-N 3.22Å; E273-E276 PolarHBondContact O-N 3.04Å; E273-G277 PolarHBondContact O-N 3.38Å; E273-Q278 WeakPolarHBondContact CB-O 3.39Å; E273-Q278 PolarHBondContact O-N 2.65Å; E273-R280 WeakPolarHBondContact OE1-CD 3.22Å; E273-R280 IonicContact OE1-CZ 3Å; E273-R280 IonicContact OE1-NE 3.21Å; E273-R280 PolarHBondContact OE1-NE 3.48Å; E273-R280 IonicContact OE2-CZ 3.45Å; E273-R280 IonicContact OE2-NE 3.27Å; E273-R280 PolarHBondContact OE2-NE 2.86Å; E273-R280 IonicContact OE2-NH2 2.78Å; E273-R280 PolarHBondContact OE2-NH2 3.42Å
274W92.3Very high95.7Very high121 Ų12156.1 Ų56.146%0.45830%0.296SS..Hα-helixtrans-62.7-45.9175.2-177.2-100.7000112.3I187 R245 V247 F269 D270 R272 E276 G277I187-W274 HydrophobicContact CD1-CH2 3.52Å; I187-W274 HydrophobicContact CD1-CZ2 4.2Å; I187-W274 HydrophobicContact CD1-CZ3 3.87Å; R245-W274 HydrophobicContact CB-CE3 4.41Å; V247-W274 HydrophobicContact CG2-CH2 4.39Å; V247-W274 HydrophobicContact CG2-CZ3 3.78Å; F269-W274 HydrophobicContact CB-CB 3.91Å; F269-W274 HydrophobicContact CB-CE3 3.75Å; F269-W274 HydrophobicContact CD1-CE3 4.05Å; F269-W274 AromaticContact CD2-CE3 3.87Å; F269-W274 HydrophobicContact CD2-CE3 3.87Å; F269-W274 HydrophobicContact CD2-CZ3 4.04Å; F269-W274 HydrophobicContact CE2-CE3 4.49Å; F269-W274 HydrophobicContact CE2-CZ3 4.33Å; F269-W274 AromaticContact CG-CE3 3.64Å; F269-W274 HydrophobicContact CG-CE3 3.64Å; F269-W274 HydrophobicContact CG-CZ3 4.27Å; D270-W274 WeakPolarHBondContact O-CB 3.43Å; D270-W274 PolarHBondContact O-N 3.21Å; R272-W274 PolarHBondContact O-N 2.92Å; W274-E276 VanDerWaalsContact C-N 3.33Å; W274-G277 PolarHBondContact O-N 2.93Å
275A93.1Very high95.6Very high85 Ų8556 Ų5670%0.70230%0.296SS*.Hα-helixtrans-68.2-33.8178.400000112.4C271 R272C271-A275 PolarHBondContact O-N 3.47Å; R272-A275 PolarHBondContact O-N 2.85Å
276E94.9Very high95.6Very high94 Ų9453.9 Ų53.944%0.43929%0.289SS..Hα-helixtrans-85.1-11.1179.5-66.6175.4-173.300113.1R272 E273 W274 Q278R272-E276 WeakPolarHBondContact CG-OE1 2.9Å; R272-E276 IonicContact CZ-OE1 3.4Å; R272-E276 IonicContact NE-OE1 2.77Å; R272-E276 PolarHBondContact NE-OE1 2.83Å; R272-E276 IonicContact NH2-OE1 3.39Å; R272-E276 PolarHBondContact NH2-OE1 2.78Å; R272-E276 WeakPolarHBondContact O-CG 3.39Å; R272-E276 PolarHBondContact O-N 2.93Å; E273-E276 PolarHBondContact O-N 3.04Å; W274-E276 VanDerWaalsContact C-N 3.33Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 HydrophobicContact CB-CG 4.35Å; E276-Q278 PolarHBondContact O-N 2.85Å
277G92.6Very high95.6Very high58 Ų5854 Ų5460%0.59829%0.29SS*.THydrogen-bonded Turntrans70.220.6-177.100000114.4E273 W274E273-G277 PolarHBondContact O-N 3.38Å; W274-G277 PolarHBondContact O-N 2.93Å
278Q93.1Very high95.6Very high132 Ų13252 Ų5262%0.61728%0.28SS*.  trans-10779.5-175-64.6-169.85.600111.4E273 E276E273-Q278 WeakPolarHBondContact CB-O 3.39Å; E273-Q278 PolarHBondContact O-N 2.65Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 HydrophobicContact CB-CG 4.35Å; E276-Q278 PolarHBondContact O-N 2.85Å
279G93.9Very high95.5Very high32 Ų3252 Ų5233%0.3328%0.28SS..  trans-78.8148.9-178.500000114.3A268 F269A268-G279 CarbonylContact O-C 3.58Å; A268-G279 WeakPolarHBondContact O-CA 3.32Å; F269-G279 VanDerWaalsContact CD1-CA 3.49Å; F269-G279 VanDerWaalsContact CE1-N 3.26Å
280R97Very high95.3Very high65 Ų6551.8 Ų51.825%0.24528%0.28CS..EExtended strand (participates in β ladder)trans-87.8121.6170.7-68.4171.1-79.6136.4-4.4110.1P239 D244 E267 A268 E273 I282P239-R280 PolarHBondContact O-NH1 2.92Å; D244-R280 IonicContact OD1-CZ 2.68Å; D244-R280 IonicContact OD1-NH2 2.83Å; D244-R280 PolarHBondContact OD1-NH2 2.97Å; D244-R280 IonicContact OD2-CZ 2.92Å; D244-R280 IonicContact OD2-NH1 3.73Å; D244-R280 PolarHBondContact OD2-NH1 2.85Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 3.32Å; E267-R280 CarbonylContact C-O 3.57Å; E267-R280 VanDerWaalsContact CA-O 3.32Å; E267-R280 WeakPolarHBondContact CA-O 3.28Å; A268-R280 HydrophobicContact CB-CB 4.48Å; A268-R280 PolarHBondContact N-O 2.9Å; A268-R280 PolarHBondContact O-N 2.83Å; E273-R280 WeakPolarHBondContact OE1-CD 3.22Å; E273-R280 IonicContact OE1-CZ 3Å; E273-R280 IonicContact OE1-NE 3.21Å; E273-R280 PolarHBondContact OE1-NE 3.48Å; E273-R280 IonicContact OE2-CZ 3.45Å; E273-R280 IonicContact OE2-NE 3.27Å; E273-R280 PolarHBondContact OE2-NE 2.86Å; E273-R280 IonicContact OE2-NH2 2.78Å; E273-R280 PolarHBondContact OE2-NH2 3.42Å; R280-I282 HydrophobicContact CB-CD1 4.31Å; R280-I282 PolarHBondContact O-N 3.18Å; R280-I282 VanDerWaalsContact O-N 3.1Å
281H97.4Very high95.3Very high40 Ų4049 Ų4919%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-70.2106172.2179.2-155000110.3R237 R265 V266 N283 S284R237-H281 WeakPolarHBondContact CB-O 3.03Å; R237-H281 WeakPolarHBondContact CD-ND1 3.13Å; R265-H281 PolarHBondContact NH1-CD2 3.34Å; R265-H281 VanDerWaalsContact NH1-CD2 3.34Å; R265-H281 PolarHBondContact NH1-CE1 3.13Å; R265-H281 VanDerWaalsContact NH1-CE1 3.28Å; R265-H281 VanDerWaalsContact NH1-CG 3.3Å; R265-H281 PolarHBondContact NH1-ND1 2.88Å; R265-H281 PolarHBondContact NH1-NE2 3.49Å; V266-H281 PolarHBondContact O-CD2 2.82Å; H281-N283 PolarHBondContact CD2-O 2.93Å; H281-N283 PolarHBondContact NE2-O 3.17Å; H281-S284 PolarHBondContact CE1-OG 3.14Å; H281-S284 PolarHBondContact NE2-OG 3.42Å
282I97.6Very high95.4Very high1 Ų145.4 Ų45.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-78.6-53.9-177.8-60.3-54.8000110.7I206 F236 R237 P239 L246 V266 A268 R280I206-I282 HydrophobicContact CD1-CG2 4.08Å; F236-I282 HydrophobicContact CD1-CG2 4Å; R237-I282 WeakPolarHBondContact CB-O 3.28Å; R237-I282 PolarHBondContact N-O 3.35Å; P239-I282 VanDerWaalsContact O-CD1 3.31Å; P239-I282 WeakPolarHBondContact O-CD1 3.36Å; L246-I282 HydrophobicContact CD2-CG1 4.43Å; V266-I282 HydrophobicContact CB-CB 4.39Å; V266-I282 HydrophobicContact CG1-CB 4.25Å; V266-I282 PolarHBondContact O-N 3.1Å; A268-I282 HydrophobicContact CB-CD1 3.64Å; A268-I282 HydrophobicContact CB-CG1 3.55Å; R280-I282 HydrophobicContact CB-CD1 4.31Å; R280-I282 PolarHBondContact O-N 3.18Å; R280-I282 VanDerWaalsContact O-N 3.1Å
283N97.5Very high95.3Very high0 Ų039.4 Ų39.40%022%0.221CC..EExtended strand (participates in β ladder)trans-161.2167.9175.669-61.1000111.5M210 F234 K235 F236 V266 H281M210-N283 VanDerWaalsContact CE-ND2 3.26Å; M210-N283 WeakPolarHBondContact CE-ND2 3.24Å; M210-N283 PolarHBondContact SD-ND2 3.42Å; F234-N283 HydrophobicContact CD2-CB 4.13Å; F234-N283 HydrophobicContact CE2-CB 4.44Å; F234-N283 WeakPolarHBondContact CE2-ND2 3.33Å; K235-N283 VanDerWaalsContact O-CB 3.31Å; K235-N283 WeakPolarHBondContact O-CB 3.19Å; F236-N283 HydrophobicContact CD1-CB 4.22Å; V266-N283 WeakPolarHBondContact CB-OD1 3.41Å; V266-N283 WeakPolarHBondContact CG2-OD1 3.5Å; V266-N283 PolarHBondContact N-O 2.79Å; H281-N283 PolarHBondContact CD2-O 2.93Å; H281-N283 PolarHBondContact NE2-O 3.17Å
284S97.6Very high95.1Very high37 Ų3743.6 Ų43.626%0.25925%0.245SC..EExtended strand (participates in β ladder)trans-131.4137.8163.3-71.60000107.8F234 V264 H281F234-S284 WeakPolarHBondContact CB-O 3.31Å; V264-S284 CarbonylContact O-C 3.53Å; V264-S284 WeakPolarHBondContact O-CA 3.43Å; H281-S284 PolarHBondContact CE1-OG 3.14Å; H281-S284 PolarHBondContact NE2-OG 3.42Å
285A97.8Very high95.1Very high1 Ų144.5 Ų44.51%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-134161.7174.800000110.7M210 F234 V264 L287M210-A285 HydrophobicContact CE-CB 3.19Å; F234-A285 HydrophobicContact CB-CB 4.22Å; F234-A285 HydrophobicContact CD1-CB 3.8Å; F234-A285 HydrophobicContact CD2-CB 4.44Å; F234-A285 HydrophobicContact CE1-CB 4.28Å; F234-A285 HydrophobicContact CG-CB 3.89Å; V264-A285 PolarHBondContact N-O 3.44Å; V264-A285 PolarHBondContact O-N 3.4Å; A285-L287 HydrophobicContact CB-CD1 4.3Å
286F98.1Very high94.9Very high48 Ų4845.5 Ų45.521%0.21124%0.244CC..EExtended strand (participates in β ladder)trans-126.3118.9-178.3-53.1-81.1000107.2D232 E261 V262 R321D232-F286 HydrophobicContact CB-CB 4.22Å; D232-F286 PolarHBondContact N-O 3.08Å; E261-F286 HydrophobicContact CG-CB 4.18Å; V262-F286 WeakPolarHBondContact O-CA 3.38Å; F286-R321 VanDerWaalsContact CD1-NE 3.32Å; F286-R321 VanDerWaalsContact CG-NE 3.3Å; F286-R321 VanDerWaalsContact CZ-NH1 3.32Å
287L98.2Very high94.7Very high3 Ų347.3 Ų47.32%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-111.6135.3-175-66.991.5000108.4E211 A214 L228 V231 E261 V262 V264 A285 Y289E211-L287 HydrophobicContact CB-CD2 4.17Å; E211-L287 HydrophobicContact CG-CD2 4.13Å; A214-L287 HydrophobicContact CB-CB 4.38Å; A214-L287 HydrophobicContact CB-CD1 4.07Å; A214-L287 HydrophobicContact CB-CD2 4.08Å; A214-L287 HydrophobicContact CB-CG 4.41Å; L228-L287 HydrophobicContact CD1-CB 3.77Å; L228-L287 HydrophobicContact CD1-CD2 3.82Å; L228-L287 HydrophobicContact CD1-CG 4.23Å; L228-L287 HydrophobicContact CD2-CD2 4.28Å; V231-L287 HydrophobicContact CG2-CD2 4.25Å; V231-L287 HydrophobicContact CG2-CG 4.29Å; E261-L287 WeakPolarHBondContact CA-O 3.35Å; V262-L287 PolarHBondContact N-O 3.05Å; V262-L287 PolarHBondContact O-N 2.89Å; V264-L287 HydrophobicContact CG2-CD1 3.76Å; A285-L287 HydrophobicContact CB-CD1 4.3Å; L287-Y289 HydrophobicContact CB-CD2 4.26Å; L287-Y289 HydrophobicContact CB-CE2 3.59Å; L287-Y289 HydrophobicContact CD2-CE2 4.35Å
288I96.9Very high94.6Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-109119.4-178.7-48.4-60.8000108.2K229 S230 V260 E261K229-I288 PolarHBondContact N-O 3.11Å; S230-I288 PolarHBondContact N-O 3.22Å; S230-I288 PolarHBondContact O-N 3.49Å; S230-I288 WeakPolarHBondContact OG-CB 2.92Å; S230-I288 VanDerWaalsContact OG-CG1 3.29Å; S230-I288 WeakPolarHBondContact OG-CG1 3.17Å; V260-I288 WeakPolarHBondContact O-CA 3.42Å; E261-I288 HydrophobicContact CB-CD1 3.59Å; E261-I288 HydrophobicContact CG-CD1 3.55Å
289Y96.2Very high94.5Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-108.4143.7177.6-69.9-92.5000110.3E211 A214 T215 A218 P226 F227 L228 S259 V260 V262 L287E211-Y289 PolarHBondContact O-OH 2.92Å; E211-Y289 PolarHBondContact OE1-OH 3.14Å; A214-Y289 HydrophobicContact CB-CE2 3.83Å; T215-Y289 PolarHBondContact N-OH 3.41Å; T215-Y289 WeakPolarHBondContact OG1-CE1 3.34Å; T215-Y289 PolarHBondContact OG1-OH 2.85Å; A218-Y289 HydrophobicContact CB-CD2 4.1Å; A218-Y289 HydrophobicContact CB-CG 4.02Å; P226-Y289 HydrophobicContact CB-CD1 3.83Å; P226-Y289 HydrophobicContact CB-CG 4.33Å; F227-Y289 VanDerWaalsContact C-CD1 3.49Å; F227-Y289 WeakPolarHBondContact O-CA 3.47Å; F227-Y289 WeakPolarHBondContact O-CD1 3.48Å; L228-Y289 HydrophobicContact CB-CD1 4.28Å; L228-Y289 HydrophobicContact CB-CE1 3.84Å; L228-Y289 HydrophobicContact CD1-CD1 4.35Å; L228-Y289 HydrophobicContact CD1-CD2 4.3Å; L228-Y289 HydrophobicContact CD1-CE1 3.9Å; L228-Y289 HydrophobicContact CD1-CE2 3.86Å; L228-Y289 HydrophobicContact CG-CE1 4.47Å; S259-Y289 CarbonylContact C-O 3.6Å; S259-Y289 VanDerWaalsContact CA-O 3.22Å; S259-Y289 WeakPolarHBondContact CA-O 3.28Å; V260-Y289 PolarHBondContact N-O 3.29Å; V260-Y289 PolarHBondContact O-N 3.24Å; V262-Y289 HydrophobicContact CG2-CD2 4.13Å; V262-Y289 HydrophobicContact CG2-CE2 4.44Å; L287-Y289 HydrophobicContact CB-CD2 4.26Å; L287-Y289 HydrophobicContact CB-CE2 3.59Å; L287-Y289 HydrophobicContact CD2-CE2 4.35Å
290N94.5Very high94.4Very high14 Ų1446.4 Ų46.48%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-100.4168.2152.6-75.686.3000107.4P226 F227 K229 N258 L298P226-N290 CarbonylContact C-O 3.52Å; P226-N290 VanDerWaalsContact CA-O 3.24Å; P226-N290 WeakPolarHBondContact CA-O 3.32Å; F227-N290 HydrophobicContact CD1-CB 4.26Å; F227-N290 HydrophobicContact CD2-CB 4.42Å; F227-N290 HydrophobicContact CE1-CB 3.53Å; F227-N290 HydrophobicContact CE2-CB 3.74Å; F227-N290 HydrophobicContact CZ-CB 3.25Å; F227-N290 PolarHBondContact N-O 2.87Å; F227-N290 PolarHBondContact O-N 2.89Å; F227-N290 VanDerWaalsContact O-N 3.08Å; K229-N290 WeakPolarHBondContact CB-OD1 3.47Å; K229-N290 WeakPolarHBondContact CD-OD1 3.19Å; N258-N290 PolarHBondContact O-ND2 3.4Å; N290-L298 HydrophobicContact CB-CD2 4.26Å
291A93.9Very high94.1Very high0 Ų043.7 Ų43.70%022%0.224CC..EExtended strand (participates in β ladder)trans-139.2151.7170.100000109.6C222 H225 I299 F301C222-A291 HydrophobicContact CB-CB 4.11Å; C222-A291 VanDerWaalsContact SG-CB 3.58Å; H225-A291 WeakPolarHBondContact O-CA 3.24Å; A291-I299 HydrophobicContact CB-CB 4.34Å; A291-I299 HydrophobicContact CB-CD1 4.07Å; A291-I299 PolarHBondContact O-N 3.1Å; A291-F301 HydrophobicContact CB-CE1 4.36Å; A291-F301 HydrophobicContact CB-CE2 4.32Å; A291-F301 HydrophobicContact CB-CZ 3.66Å
292V93.4Very high93.7Very high10 Ų1043.7 Ų43.76%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-118.8156167.5-63.60000110.6H225 F227 E297 L298 I299H225-V292 PolarHBondContact N-O 3.28Å; H225-V292 PolarHBondContact O-N 3.15Å; F227-V292 HydrophobicContact CE1-CG1 4.02Å; V292-E297 CarbonylContact C-O 3.51Å; V292-E297 WeakPolarHBondContact CA-O 3.18Å; V292-E297 VanDerWaalsContact CB-O 3.3Å; V292-E297 WeakPolarHBondContact CB-O 3.3Å; V292-L298 HydrophobicContact CG1-CD2 4.03Å; V292-L298 HydrophobicContact CG1-CG 4.48Å; V292-I299 VanDerWaalsContact C-CD1 3.46Å; V292-I299 WeakPolarHBondContact O-CD1 3.25Å
293D91.4Very high93.3Very high47 Ų4751 Ų5125%0.25126%0.255SS..  trans-81.9-175170.663.221.8000111.7Q295 E296 E297 I299D293-Q295 PolarHBondContact O-N 3.34Å; D293-Q295 VanDerWaalsContact OD1-CA 3.29Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.41Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.44Å; D293-Q295 PolarHBondContact OD1-N 3.44Å; D293-E296 PolarHBondContact O-N 2.64Å; D293-E296 VanDerWaalsContact O-N 3.14Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 VanDerWaalsContact OD1-N 3.15Å; D293-E297 PolarHBondContact N-O 2.97Å; D293-E297 PolarHBondContact OD1-N 2.92Å; D293-I299 HydrophobicContact CB-CD1 4.24Å; D293-I299 HydrophobicContact CB-CG1 4.17Å
294D90.2Very high92.9Very high127 Ų12751.1 Ų51.168%0.67926%0.255SS*.THydrogen-bonded Turntrans-70.6-10.3178.3-65.8-30.8000113.1H225 E296H225-D294 IonicContact CD2-OD1 2.92Å; H225-D294 IonicContact CE1-OD1 3.74Å; H225-D294 IonicContact NE2-OD1 2.79Å; H225-D294 PolarHBondContact NE2-OD1 2.74Å; D294-E296 VanDerWaalsContact C-N 3.35Å
295Q91.4Very high92.4Very high140 Ų14053.2 Ų53.265%0.65426%0.261SS*.THydrogen-bonded Turntrans-93.24.3173.5-687257.500112.1D293 E297D293-Q295 PolarHBondContact O-N 3.34Å; D293-Q295 VanDerWaalsContact OD1-CA 3.29Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.41Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.44Å; D293-Q295 PolarHBondContact OD1-N 3.44Å; Q295-E297 HydrophobicContact CB-CG 4.41Å; Q295-E297 PolarHBondContact O-N 3.43Å
296E89.5Confident91.9Very high107 Ų10753.6 Ų53.650%0.526%0.264SS..SBendtrans64.821.3-175-58.8-73162.700113.7D293 D294D293-E296 PolarHBondContact O-N 2.64Å; D293-E296 VanDerWaalsContact O-N 3.14Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 VanDerWaalsContact OD1-N 3.15Å; D294-E296 VanDerWaalsContact C-N 3.35Å
297E90.8Very high91.4Very high132 Ų13256.7 Ų56.762%0.61728%0.281SS*.PPolyproline II helixtrans-92.1144176-67.7-65.2164.300111.4V292 D293 Q295 I299V292-E297 CarbonylContact C-O 3.51Å; V292-E297 WeakPolarHBondContact CA-O 3.18Å; V292-E297 VanDerWaalsContact CB-O 3.3Å; V292-E297 WeakPolarHBondContact CB-O 3.3Å; D293-E297 PolarHBondContact N-O 2.97Å; D293-E297 PolarHBondContact OD1-N 2.92Å; Q295-E297 HydrophobicContact CB-CG 4.41Å; Q295-E297 PolarHBondContact O-N 3.43Å; E297-I299 PolarHBondContact O-N 3.34Å
298L91.2Very high91.1Very high78 Ų7859 Ų5941%0.40830%0.297SS..BIsolated β-bridgetrans-67.2125.3-178.7-78.1171.3000111.7F227 N290 V292F227-L298 HydrophobicContact CE1-CD2 4.27Å; F227-L298 HydrophobicContact CZ-CD2 4.06Å; N290-L298 HydrophobicContact CB-CD2 4.26Å; V292-L298 HydrophobicContact CG1-CD2 4.03Å; V292-L298 HydrophobicContact CG1-CG 4.48Å
299I90.6Very high90.8Very high30 Ų3068 Ų6815%0.15434%0.336CS..PPolyproline II helixtrans-77.1132.4176.9-64.1172.6000110C222 N258 A291 V292 D293 E297C222-I299 HydrophobicContact CB-CD1 4.34Å; C222-I299 HydrophobicContact CB-CG2 4.21Å; N258-I299 WeakPolarHBondContact CA-O 3.35Å; A291-I299 HydrophobicContact CB-CB 4.34Å; A291-I299 HydrophobicContact CB-CD1 4.07Å; A291-I299 PolarHBondContact O-N 3.1Å; V292-I299 VanDerWaalsContact C-CD1 3.46Å; V292-I299 WeakPolarHBondContact O-CD1 3.25Å; D293-I299 HydrophobicContact CB-CD1 4.24Å; D293-I299 HydrophobicContact CB-CG1 4.17Å; E297-I299 PolarHBondContact O-N 3.34Å
300T90.5Very high90.6Very high95 Ų9571.3 Ų71.358%0.58335%0.354SS*.PPolyproline II helixtrans-83.6118.1162.7-57.80000108.8N258N258-T300 PolarHBondContact OD1-OG1 3Å
301F90.7Very high90.5Very high8 Ų871.5 Ų71.54%0.03536%0.355CS..PPolyproline II helixtrans-72.9147.1178.7-68.9-92.5000111.2L221 C222 T255 Q257 N258 V260 A291L221-F301 HydrophobicContact CD2-CD1 3.86Å; L221-F301 HydrophobicContact CG-CD1 4.21Å; C222-F301 HydrophobicContact CB-CD1 3.82Å; C222-F301 HydrophobicContact CB-CE1 3.4Å; C222-F301 VanDerWaalsContact CB-CE1 3.4Å; C222-F301 HydrophobicContact CB-CZ 4.15Å; T255-F301 HydrophobicContact CG2-CB 3.6Å; T255-F301 HydrophobicContact CG2-CG 4.24Å; Q257-F301 WeakPolarHBondContact O-CB 3.36Å; Q257-F301 PolarHBondContact O-N 3.47Å; N258-F301 VanDerWaalsContact O-CE2 3.31Å; N258-F301 WeakPolarHBondContact O-CE2 3.39Å; V260-F301 HydrophobicContact CB-CD1 3.98Å; V260-F301 HydrophobicContact CB-CD2 4.34Å; V260-F301 HydrophobicContact CB-CE1 3.85Å; V260-F301 HydrophobicContact CB-CE2 4.26Å; V260-F301 HydrophobicContact CB-CG 4.22Å; V260-F301 HydrophobicContact CB-CZ 4.02Å; V260-F301 HydrophobicContact CG1-CD1 4.15Å; V260-F301 HydrophobicContact CG1-CE1 3.49Å; V260-F301 VanDerWaalsContact CG1-CE1 3.49Å; V260-F301 HydrophobicContact CG1-CE2 4.08Å; V260-F301 HydrophobicContact CG1-CZ 3.47Å; V260-F301 VanDerWaalsContact CG1-CZ 3.47Å; A291-F301 HydrophobicContact CB-CE1 4.36Å; A291-F301 HydrophobicContact CB-CE2 4.32Å; A291-F301 HydrophobicContact CB-CZ 3.66Å
302P90.5Very high90.2Very high40 Ų4074.5 Ų74.526%0.2637%0.368SS..PPolyproline II helixtrans-62.7150.9172.928.3-35.6000110.7G175 A177 L221 T255 I304G175-P302 VanDerWaalsContact O-CB 3.3Å; G175-P302 WeakPolarHBondContact O-CB 3.33Å; A177-P302 HydrophobicContact CB-CB 3.92Å; A177-P302 HydrophobicContact CB-CG 3.69Å; L221-P302 HydrophobicContact CD1-CG 3.78Å; L221-P302 HydrophobicContact CG-CG 4.11Å; T255-P302 WeakPolarHBondContact CB-O 3.27Å; T255-P302 WeakPolarHBondContact CG2-O 3.46Å; T255-P302 PolarHBondContact OG1-O 3.22Å; P302-I304 PolarHBondContact O-N 2.87Å
303R87.9Confident90.1Very high155 Ų15580.9 Ų80.959%0.58539%0.391SS*.EExtended strand (participates in β ladder)trans-67.6133.7175.1-73.8-178.6175.7169.5-1.3109.9E173 T176 A177E173-R303 IonicContact OE2-NH1 3.12Å; E173-R303 PolarHBondContact OE2-NH1 2.89Å; T176-R303 CarbonylContact C-O 3.54Å; T176-R303 WeakPolarHBondContact CA-O 3.19Å; T176-R303 HydrophobicContact CG2-CB 4.46Å; A177-R303 PolarHBondContact N-O 3.35Å
304I88.7Confident90.3Very high2 Ų282.3 Ų82.31%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-78.2125.6176-65.7-59.4000110.5A177 T179 L221 V252 T255 P302 P306 Y315A177-I304 HydrophobicContact CB-CD1 4.5Å; A177-I304 WeakPolarHBondContact O-CA 3.46Å; T179-I304 HydrophobicContact CG2-CD1 4.3Å; T179-I304 HydrophobicContact CG2-CG2 3.52Å; L221-I304 HydrophobicContact CD1-CD1 4.2Å; L221-I304 HydrophobicContact CD2-CD1 4.13Å; V252-I304 HydrophobicContact CG1-CD1 3.89Å; V252-I304 HydrophobicContact CG1-CG1 4.06Å; T255-I304 HydrophobicContact CG2-CD1 4.21Å; T255-I304 HydrophobicContact CG2-CG1 3.78Å; T255-I304 PolarHBondContact OG1-N 2.73Å; P302-I304 PolarHBondContact O-N 2.87Å; I304-P306 WeakPolarHBondContact O-CD 3.38Å; I304-Y315 HydrophobicContact CB-CD2 4.41Å; I304-Y315 HydrophobicContact CB-CE2 4.42Å; I304-Y315 HydrophobicContact CG2-CD2 4.17Å; I304-Y315 WeakPolarHBondContact O-CE2 3.47Å
305Q87.9Confident90.2Very high80 Ų8078.9 Ų78.937%0.37437%0.371SS..  trans-98.1105.5169-171.7178.523.600109.5A177A177-Q305 PolarHBondContact O-N 3.29Å
306P86.5Confident89.9Confident10 Ų1073.5 Ų73.57%0.06535%0.346CS..  trans-70.6134.3176.128.4-33000111I304 D311 F312 Y315I304-P306 WeakPolarHBondContact O-CD 3.38Å; P306-D311 HydrophobicContact CB-CB 3.76Å; P306-F312 HydrophobicContact CB-CD1 4.06Å; P306-F312 HydrophobicContact CB-CD2 4.14Å; P306-F312 HydrophobicContact CB-CE1 4.22Å; P306-F312 HydrophobicContact CB-CE2 4.27Å; P306-F312 HydrophobicContact CB-CG 4.01Å; P306-F312 HydrophobicContact CB-CZ 4.3Å; P306-F312 HydrophobicContact CG-CD1 3.82Å; P306-F312 HydrophobicContact CG-CE1 3.69Å; P306-F312 HydrophobicContact CG-CE2 4.49Å; P306-F312 HydrophobicContact CG-CG 4.3Å; P306-F312 HydrophobicContact CG-CZ 4.03Å; P306-F312 WeakPolarHBondContact O-CE2 3.47Å; P306-F312 WeakPolarHBondContact O-CZ 3.27Å; P306-Y315 HydrophobicContact CG-CD2 4.16Å; P306-Y315 HydrophobicContact CG-CG 4.16Å
307I89Confident90Very high113 Ų11368.4 Ų68.458%0.57932%0.323SS*.  trans-113.6-54.3-178.9-60.3173.2000110.8T178T178-I307 HydrophobicContact CG2-CD1 3.59Å
308S91Very high90Very high50 Ų5062.1 Ų62.135%0.3529%0.293SS..SBendtrans-84.9161-176.573.50000112.1D310 D311 F312S308-D310 PolarHBondContact O-N 2.85Å; S308-D310 VanDerWaalsContact O-N 3.12Å; S308-D311 WeakPolarHBondContact CB-OD2 3.43Å; S308-D311 PolarHBondContact N-OD2 3.32Å; S308-D311 WeakPolarHBondContact O-CA 3.23Å; S308-D311 WeakPolarHBondContact O-CB 3.43Å; S308-D311 PolarHBondContact O-N 2.68Å; S308-D311 PolarHBondContact OG-N 2.75Å; S308-D311 VanDerWaalsContact OG-N 3.16Å; S308-D311 PolarHBondContact OG-OD2 3.34Å; S308-F312 VanDerWaalsContact O-CD2 3.29Å; S308-F312 WeakPolarHBondContact O-CD2 3.39Å; S308-F312 PolarHBondContact O-N 3.2Å
309K91Very high89.7Confident189 Ų18960.1 Ų60.182%0.82228%0.283SS*.Hα-helixtrans-51.1-37172.8-177-178.8177.8-177.50112.4R313K309-R313 WeakPolarHBondContact O-CB 3.35Å; K309-R313 PolarHBondContact O-N 3.33Å; K309-R313 VanDerWaalsContact O-N 3.14Å
310D92.2Very high89.4Confident71 Ų7158.7 Ų58.738%0.3828%0.275SS..Hα-helixtrans-74.1-33.3177.7-82.4-32.4000113.1S308 R313 R314S308-D310 PolarHBondContact O-N 2.85Å; S308-D310 VanDerWaalsContact O-N 3.12Å; D310-R313 PolarHBondContact O-N 3.28Å; D310-R313 IonicContact OD1-CZ 3.42Å; D310-R313 VanDerWaalsContact OD1-CZ 3.28Å; D310-R313 IonicContact OD1-NE 2.83Å; D310-R313 PolarHBondContact OD1-NE 2.98Å; D310-R313 IonicContact OD1-NH2 3.66Å; D310-R313 PolarHBondContact OD1-NH2 3.44Å; D310-R314 WeakPolarHBondContact O-CB 3.44Å; D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.1Å; D310-R314 PolarHBondContact O-N 3.24Å; D310-R314 PolarHBondContact O-NE 2.92Å
311D91.7Very high89.4Confident17 Ų1754.7 Ų54.79%0.09125%0.249CC..Hα-helixtrans-65.5-46.8173.9-58.7-39000110.5T179 P306 S308 R313 R314 Y315T179-D311 PolarHBondContact OG1-OD1 2.9Å; P306-D311 HydrophobicContact CB-CB 3.76Å; S308-D311 WeakPolarHBondContact CB-OD2 3.43Å; S308-D311 PolarHBondContact N-OD2 3.32Å; S308-D311 WeakPolarHBondContact O-CA 3.23Å; S308-D311 WeakPolarHBondContact O-CB 3.43Å; S308-D311 PolarHBondContact O-N 2.68Å; S308-D311 PolarHBondContact OG-N 2.75Å; S308-D311 VanDerWaalsContact OG-N 3.16Å; S308-D311 PolarHBondContact OG-OD2 3.34Å; D311-R313 VanDerWaalsContact C-N 3.32Å; D311-R313 PolarHBondContact O-N 2.76Å; D311-R314 PolarHBondContact O-N 2.66Å; D311-R314 VanDerWaalsContact O-N 3.16Å; D311-Y315 WeakPolarHBondContact O-CB 3.24Å; D311-Y315 PolarHBondContact O-N 3.22Å
312F88.3Confident89.1Confident63 Ų6355.3 Ų55.328%0.27625%0.252SS..Hα-helixtrans-58-44.6175.3-80.2-81000112P168 P306 S308 R314 Y315 Q316P168-F312 HydrophobicContact CG-CE1 3.7Å; P168-F312 HydrophobicContact CG-CZ 4.45Å; P306-F312 HydrophobicContact CB-CD1 4.06Å; P306-F312 HydrophobicContact CB-CD2 4.14Å; P306-F312 HydrophobicContact CB-CE1 4.22Å; P306-F312 HydrophobicContact CB-CE2 4.27Å; P306-F312 HydrophobicContact CB-CG 4.01Å; P306-F312 HydrophobicContact CB-CZ 4.3Å; P306-F312 HydrophobicContact CG-CD1 3.82Å; P306-F312 HydrophobicContact CG-CE1 3.69Å; P306-F312 HydrophobicContact CG-CE2 4.49Å; P306-F312 HydrophobicContact CG-CG 4.3Å; P306-F312 HydrophobicContact CG-CZ 4.03Å; P306-F312 WeakPolarHBondContact O-CE2 3.47Å; P306-F312 WeakPolarHBondContact O-CZ 3.27Å; S308-F312 VanDerWaalsContact O-CD2 3.29Å; S308-F312 WeakPolarHBondContact O-CD2 3.39Å; S308-F312 PolarHBondContact O-N 3.2Å; F312-R314 PolarHBondContact O-N 2.86Å; F312-Y315 PolarHBondContact O-N 2.85Å; F312-Q316 WeakPolarHBondContact O-CB 3.3Å; F312-Q316 WeakPolarHBondContact O-CG 3.46Å; F312-Q316 PolarHBondContact O-N 3.49Å
313R92Very high88.4Confident145 Ų14554.5 Ų54.555%0.54724%0.243SC..Hα-helixtrans-60.5-44.2176178.4-179.862.5142.7-3.6112K309 D310 D311 G317K309-R313 WeakPolarHBondContact O-CB 3.35Å; K309-R313 PolarHBondContact O-N 3.33Å; K309-R313 VanDerWaalsContact O-N 3.14Å; D310-R313 PolarHBondContact O-N 3.28Å; D310-R313 IonicContact OD1-CZ 3.42Å; D310-R313 VanDerWaalsContact OD1-CZ 3.28Å; D310-R313 IonicContact OD1-NE 2.83Å; D310-R313 PolarHBondContact OD1-NE 2.98Å; D310-R313 IonicContact OD1-NH2 3.66Å; D310-R313 PolarHBondContact OD1-NH2 3.44Å; D311-R313 VanDerWaalsContact C-N 3.32Å; D311-R313 PolarHBondContact O-N 2.76Å; R313-G317 PolarHBondContact O-N 3.18Å
314R93.7Very high88.2Confident77 Ų7747.3 Ų47.329%0.29122%0.216SC..Hα-helixtrans-67.3-44.1179-79.9-176.7-104.6-127.66.4111.8N253 D310 D311 F312 G317 A318N253-R314 HydrophobicContact CB-CB 4.01Å; N253-R314 WeakPolarHBondContact OD1-CB 3.29Å; N253-R314 WeakPolarHBondContact OD1-CD 3.35Å; N253-R314 WeakPolarHBondContact OD1-CG 3.37Å; D310-R314 WeakPolarHBondContact O-CB 3.44Å; D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.1Å; D310-R314 PolarHBondContact O-N 3.24Å; D310-R314 PolarHBondContact O-NE 2.92Å; D311-R314 PolarHBondContact O-N 2.66Å; D311-R314 VanDerWaalsContact O-N 3.16Å; F312-R314 PolarHBondContact O-N 2.86Å; R314-G317 CarbonylContact O-C 3.5Å; R314-G317 WeakPolarHBondContact O-CA 3.36Å; R314-G317 PolarHBondContact O-N 2.92Å; R314-A318 PolarHBondContact O-N 2.87Å
315Y88.9Confident87.9Confident55 Ų5548.7 Ų48.722%0.21622%0.221CC..Hα-helixtrans-58.1-52.9177.8-176.2-84.8000111.6N253 N254 I304 P306 D311 F312 G317 A318 I319N253-Y315 WeakPolarHBondContact O-CA 3.35Å; N254-Y315 HydrophobicContact CB-CD2 4.15Å; N254-Y315 WeakPolarHBondContact ND2-CD2 3.31Å; N254-Y315 VanDerWaalsContact ND2-CE2 3.29Å; N254-Y315 WeakPolarHBondContact ND2-CE2 3.44Å; N254-Y315 WeakPolarHBondContact OD1-CD2 3.33Å; N254-Y315 WeakPolarHBondContact OD1-CE2 3.03Å; I304-Y315 HydrophobicContact CB-CD2 4.41Å; I304-Y315 HydrophobicContact CB-CE2 4.42Å; I304-Y315 HydrophobicContact CG2-CD2 4.17Å; I304-Y315 WeakPolarHBondContact O-CE2 3.47Å; P306-Y315 HydrophobicContact CG-CD2 4.16Å; P306-Y315 HydrophobicContact CG-CG 4.16Å; D311-Y315 WeakPolarHBondContact O-CB 3.24Å; D311-Y315 PolarHBondContact O-N 3.22Å; F312-Y315 PolarHBondContact O-N 2.85Å; Y315-G317 VanDerWaalsContact C-N 3.32Å; Y315-G317 PolarHBondContact O-N 2.87Å; Y315-A318 WeakPolarHBondContact O-CB 3.38Å; Y315-A318 PolarHBondContact O-N 3.3Å; Y315-I319 HydrophobicContact CD1-CD1 3.92Å; Y315-I319 HydrophobicContact CE1-CD1 3.54Å; Y315-I319 PolarHBondContact O-N 3.44Å
316Q85.7Confident87.2Confident26 Ų2645.4 Ų45.412%0.12121%0.206CC..Hα-helixtrans-63.9-38.2174.9-70179.3-14.200111.8M159 L165 F312 A318 I319 A320M159-Q316 HydrophobicContact CE-CB 4.16Å; M159-Q316 HydrophobicContact SD-CB 4.26Å; L165-Q316 PolarHBondContact O-NE2 2.86Å; L165-Q316 VanDerWaalsContact O-NE2 3.17Å; F312-Q316 WeakPolarHBondContact O-CB 3.3Å; F312-Q316 WeakPolarHBondContact O-CG 3.46Å; F312-Q316 PolarHBondContact O-N 3.49Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 2.7Å; Q316-I319 PolarHBondContact O-N 2.94Å; Q316-A320 PolarHBondContact O-N 3.28Å
317G91Very high86.2Confident1 Ų145.3 Ų45.31%0.0121%0.207CC..Hα-helixtrans-59.3-40.4174.400000112.8M159 R313 R314 Y315 A320 R321M159-G317 VanDerWaalsContact SD-CA 3.56Å; R313-G317 PolarHBondContact O-N 3.18Å; R314-G317 CarbonylContact O-C 3.5Å; R314-G317 WeakPolarHBondContact O-CA 3.36Å; R314-G317 PolarHBondContact O-N 2.92Å; Y315-G317 VanDerWaalsContact C-N 3.32Å; Y315-G317 PolarHBondContact O-N 2.87Å; G317-A320 PolarHBondContact O-N 2.86Å; G317-R321 WeakPolarHBondContact O-CB 3.45Å; G317-R321 WeakPolarHBondContact O-CG 3.44Å; G317-R321 VanDerWaalsContact O-CZ 3.23Å; G317-R321 PolarHBondContact O-N 2.74Å; G317-R321 PolarHBondContact O-NE 3.01Å; G317-R321 PolarHBondContact O-NH1 3.15Å
318A91.3Very high85.5Confident0 Ų040.4 Ų40.40%018%0.181CC..Hα-helixtrans-66.5-40.5178.400000111.3N253 N254 F256 E261 R314 Y315 Q316 R321 R322N253-A318 HydrophobicContact CB-CB 4.13Å; N254-A318 HydrophobicContact CB-CB 3.46Å; N254-A318 VanDerWaalsContact CB-CB 3.46Å; F256-A318 HydrophobicContact CE2-CB 4.31Å; F256-A318 HydrophobicContact CZ-CB 4.13Å; E261-A318 HydrophobicContact CB-CB 4.4Å; E261-A318 WeakPolarHBondContact OE1-CA 3.28Å; E261-A318 WeakPolarHBondContact OE1-CB 2.96Å; E261-A318 WeakPolarHBondContact OE2-CA 3.46Å; R314-A318 PolarHBondContact O-N 2.87Å; Y315-A318 WeakPolarHBondContact O-CB 3.38Å; Y315-A318 PolarHBondContact O-N 3.3Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 2.7Å; A318-R321 VanDerWaalsContact N-NH2 3.12Å; A318-R321 PolarHBondContact O-N 3.08Å; A318-R322 WeakPolarHBondContact O-CB 3.41Å; A318-R322 PolarHBondContact O-N 2.85Å
319I84.4Confident84.2Confident36 Ų3641.5 Ų41.519%0.18518%0.18CC..Hα-helixtrans-61-46.9173.8-65.1169.2000110.1F256 Y315 Q316 R321 R322 R323F256-I319 HydrophobicContact CE1-CG1 4.16Å; F256-I319 HydrophobicContact CZ-CG1 4.3Å; Y315-I319 HydrophobicContact CD1-CD1 3.92Å; Y315-I319 HydrophobicContact CE1-CD1 3.54Å; Y315-I319 PolarHBondContact O-N 3.44Å; Q316-I319 PolarHBondContact O-N 2.94Å; I319-R321 PolarHBondContact O-N 3.1Å; I319-R322 PolarHBondContact O-N 3.16Å; I319-R323 WeakPolarHBondContact O-CG 3.43Å; I319-R323 PolarHBondContact O-N 3.47Å
320A84.9Confident82.3Confident0 Ų035.4 Ų35.40%015%0.152CC..Hα-helixtrans-61.6-43.8178.400000112.3F155 I158 M159 Q316 G317 R323 I324F155-A320 HydrophobicContact CD2-CB 4.12Å; F155-A320 HydrophobicContact CE2-CB 3.92Å; I158-A320 HydrophobicContact CB-CB 4.09Å; I158-A320 HydrophobicContact CG2-CB 3.53Å; M159-A320 HydrophobicContact CG-CB 4.41Å; M159-A320 HydrophobicContact SD-CB 4.12Å; Q316-A320 PolarHBondContact O-N 3.28Å; G317-A320 PolarHBondContact O-N 2.86Å; A320-R323 WeakPolarHBondContact O-CB 3.05Å; A320-R323 PolarHBondContact O-N 2.95Å; A320-I324 WeakPolarHBondContact O-CG1 2.83Å; A320-I324 PolarHBondContact O-N 2.98Å
321R89.7Confident80.4Confident11 Ų1135.9 Ų35.94%0.04216%0.157CC..Hα-helixtrans-64.9-42.5175.7-80.6-178.3-66.3-863.6112.7F155 D232 N253 E261 F286 G317 A318 I319 R323 I324 R325F155-R321 HydrophobicContact CD2-CG 4Å; F155-R321 HydrophobicContact CE2-CG 3.89Å; D232-R321 WeakPolarHBondContact OD2-CB 3.38Å; D232-R321 WeakPolarHBondContact OD2-CD 3.32Å; N253-R321 PolarHBondContact ND2-NH2 3.09Å; E261-R321 IonicContact OE1-CZ 3.26Å; E261-R321 IonicContact OE1-NE 3.6Å; E261-R321 PolarHBondContact OE1-NE 3.49Å; E261-R321 IonicContact OE1-NH2 3.1Å; E261-R321 PolarHBondContact OE1-NH2 3.4Å; E261-R321 IonicContact OE2-CZ 3.57Å; E261-R321 IonicContact OE2-NE 2.89Å; E261-R321 PolarHBondContact OE2-NE 2.73Å; E261-R321 IonicContact OE2-NH2 3.09Å; F286-R321 VanDerWaalsContact CD1-NE 3.32Å; F286-R321 VanDerWaalsContact CG-NE 3.3Å; F286-R321 VanDerWaalsContact CZ-NH1 3.32Å; G317-R321 WeakPolarHBondContact O-CB 3.45Å; G317-R321 WeakPolarHBondContact O-CG 3.44Å; G317-R321 VanDerWaalsContact O-CZ 3.23Å; G317-R321 PolarHBondContact O-N 2.74Å; G317-R321 PolarHBondContact O-NE 3.01Å; G317-R321 PolarHBondContact O-NH1 3.15Å; A318-R321 VanDerWaalsContact N-NH2 3.12Å; A318-R321 PolarHBondContact O-N 3.08Å; I319-R321 PolarHBondContact O-N 3.1Å; R321-R323 VanDerWaalsContact C-N 3.32Å; R321-R323 PolarHBondContact O-N 3.44Å; R321-I324 WeakPolarHBondContact O-CB 3.32Å; R321-I324 PolarHBondContact O-N 2.89Å; R321-I324 VanDerWaalsContact O-N 3.17Å; R321-R325 WeakPolarHBondContact O-CB 3.4Å; R321-R325 PolarHBondContact O-N 3.21Å
322R83.8Confident78.4Confident21 Ų2138.4 Ų38.48%0.07917%0.17CC..Hα-helixtrans-57.2-46.9174.5-174.5177.3-175.5-1724.4111.3F256 A318 I319 I324 R325 L326 E370 E384F256-R322 VanDerWaalsContact CB-NH1 3.3Å; F256-R322 HydrophobicContact CE2-CB 4.18Å; F256-R322 VanDerWaalsContact CG-NH1 3.29Å; F256-R322 HydrophobicContact CZ-CB 4.09Å; A318-R322 WeakPolarHBondContact O-CB 3.41Å; A318-R322 PolarHBondContact O-N 2.85Å; I319-R322 PolarHBondContact O-N 3.16Å; R322-I324 PolarHBondContact O-N 2.97Å; R322-R325 PolarHBondContact O-N 3.23Å; R322-L326 HydrophobicContact CG-CD1 4.3Å; R322-L326 HydrophobicContact CG-CG 4.5Å; R322-L326 WeakPolarHBondContact O-CG 3.42Å; R322-L326 PolarHBondContact O-N 2.56Å; R322-E370 IonicContact CZ-OE1 3.44Å; R322-E370 IonicContact CZ-OE2 2.72Å; R322-E370 IonicContact NH1-OE1 2.83Å; R322-E370 PolarHBondContact NH1-OE1 2.91Å; R322-E370 IonicContact NH1-OE2 3.42Å; R322-E370 PolarHBondContact NH1-OE2 3.4Å; R322-E370 IonicContact NH2-OE1 3.89Å; R322-E384 IonicContact CZ-OE2 3.72Å; R322-E384 IonicContact NE-OE2 3.46Å; R322-E384 PolarHBondContact NE-OE2 3Å; R322-E384 IonicContact NH2-OE2 3.74Å; R322-E384 PolarHBondContact NH2-OE2 3.43Å
323R77.2Confident76.4Confident23 Ų2337.7 Ų37.79%0.08717%0.173CC..Hα-helixtrans-56.3-46.4174.5-76.3-177.3-173.2-161.76.9112.6I319 A320 R321 L326 G327 T372 T373 I526I319-R323 WeakPolarHBondContact O-CG 3.43Å; I319-R323 PolarHBondContact O-N 3.47Å; A320-R323 WeakPolarHBondContact O-CB 3.05Å; A320-R323 PolarHBondContact O-N 2.95Å; R321-R323 VanDerWaalsContact C-N 3.32Å; R321-R323 PolarHBondContact O-N 3.44Å; R323-L326 PolarHBondContact O-N 3.01Å; R323-G327 PolarHBondContact O-N 2.85Å; R323-G327 VanDerWaalsContact O-N 3.13Å; R323-T372 HydrophobicContact CG-CG2 4.18Å; R323-T372 VanDerWaalsContact NE-CG2 3.32Å; R323-T372 VanDerWaalsContact NH2-C 3.33Å; R323-T372 PolarHBondContact NH2-O 2.91Å; R323-T373 PolarHBondContact NH2-OG1 2.96Å; R323-I526 WeakPolarHBondContact CB-O 3.19Å; R323-I526 WeakPolarHBondContact CD-O 3.09Å; R323-I526 WeakPolarHBondContact CG-O 3.31Å
324I82.4Confident74.1Confident4 Ų438.3 Ų38.32%0.02118%0.181CC..Hα-helixtrans-60.2-47.3175.7-68.2169.1000110.7T154 F155 I158 A320 R321 R322 L326 G327 R328T154-I324 HydrophobicContact CG2-CD1 3.84Å; T154-I324 HydrophobicContact CG2-CG1 3.88Å; F155-I324 HydrophobicContact CB-CD1 3.97Å; F155-I324 HydrophobicContact CD2-CD1 4.28Å; I158-I324 HydrophobicContact CD1-CD1 3.8Å; I158-I324 HydrophobicContact CD1-CG1 3.43Å; I158-I324 VanDerWaalsContact CD1-CG1 3.43Å; A320-I324 WeakPolarHBondContact O-CG1 2.83Å; A320-I324 PolarHBondContact O-N 2.98Å; R321-I324 WeakPolarHBondContact O-CB 3.32Å; R321-I324 PolarHBondContact O-N 2.89Å; R321-I324 VanDerWaalsContact O-N 3.17Å; R322-I324 PolarHBondContact O-N 2.97Å; I324-L326 PolarHBondContact O-N 2.83Å; I324-G327 PolarHBondContact O-N 3.34Å; I324-R328 HydrophobicContact CG2-CG 4.2Å; I324-R328 WeakPolarHBondContact O-CB 3.39Å; I324-R328 WeakPolarHBondContact O-CG 3.35Å; I324-R328 PolarHBondContact O-N 2.88Å
325R83.6Confident71.8Confident31 Ų3140.8 Ų40.812%0.11719%0.194CC..Hα-helixtrans-62.4-42.7-178.4178.1160.743.8102.28.8112.1D232 R321 R322 G327 R328 K329D232-R325 WeakPolarHBondContact OD1-CD 3.42Å; D232-R325 IonicContact OD1-NE 2.81Å; D232-R325 PolarHBondContact OD1-NE 3.3Å; R321-R325 WeakPolarHBondContact O-CB 3.4Å; R321-R325 PolarHBondContact O-N 3.21Å; R322-R325 PolarHBondContact O-N 3.23Å; R325-G327 VanDerWaalsContact C-N 3.34Å; R325-G327 PolarHBondContact O-N 3.11Å; R325-R328 PolarHBondContact O-N 3.38Å; R325-R328 VanDerWaalsContact O-N 3.16Å; R325-K329 PolarHBondContact O-N 2.98Å
326L72.2Confident69.5Low10 Ų1047.8 Ų47.85%0.05223%0.226CC..Hα-helixtrans-59.7-44.1173.8-69173000111.5R322 R323 I324 R328 E384 I389 I526R322-L326 HydrophobicContact CG-CD1 4.3Å; R322-L326 HydrophobicContact CG-CG 4.5Å; R322-L326 WeakPolarHBondContact O-CG 3.42Å; R322-L326 PolarHBondContact O-N 2.56Å; R323-L326 PolarHBondContact O-N 3.01Å; I324-L326 PolarHBondContact O-N 2.83Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 3.38Å; L326-E384 HydrophobicContact CD2-CG 4.09Å; L326-I389 HydrophobicContact CB-CD1 4.36Å; L326-I389 HydrophobicContact CD2-CD1 3.76Å; L326-I389 HydrophobicContact CD2-CG1 4.32Å; L326-I526 HydrophobicContact CB-CG2 3.97Å; L326-I526 HydrophobicContact CD1-CG2 4Å
327G66.8Low67.5Low8 Ų851.3 Ų51.38%0.08224%0.242CC..Hα-helixtrans-65.4-31.917500000113.8R323 I324 R325R323-G327 PolarHBondContact O-N 2.85Å; R323-G327 VanDerWaalsContact O-N 3.13Å; I324-G327 PolarHBondContact O-N 3.34Å; R325-G327 VanDerWaalsContact C-N 3.34Å; R325-G327 PolarHBondContact O-N 3.11Å
328R73.9Confident65.2Low10 Ų1056.3 Ų56.34%0.03827%0.273CS..Hα-helixtrans-85.7-31.9-177.5-75.8-176.9178.2179.7-8.2115.2D59 H151 M233 I324 R325 L326 Y330 V331 I332D59-R328 IonicContact OD1-NH1 3.87Å; D59-R328 WeakPolarHBondContact OD2-CD 3.26Å; D59-R328 IonicContact OD2-CZ 3.84Å; D59-R328 IonicContact OD2-NE 3.59Å; D59-R328 IonicContact OD2-NH1 2.91Å; D59-R328 PolarHBondContact OD2-NH1 3.34Å; H151-R328 VanDerWaalsContact CG-NH2 3.33Å; H151-R328 PolarHBondContact ND1-NH1 2.97Å; H151-R328 PolarHBondContact ND1-NH2 3.27Å; M233-R328 PolarHBondContact SD-NH1 3.18Å; M233-R328 VanDerWaalsContact SD-NH1 3.45Å; I324-R328 HydrophobicContact CG2-CG 4.2Å; I324-R328 WeakPolarHBondContact O-CB 3.39Å; I324-R328 WeakPolarHBondContact O-CG 3.35Å; I324-R328 PolarHBondContact O-N 2.88Å; R325-R328 PolarHBondContact O-N 3.38Å; R325-R328 VanDerWaalsContact O-N 3.16Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 3.38Å; R328-Y330 PolarHBondContact O-N 3.48Å; R328-V331 PolarHBondContact O-N 3.25Å; R328-I332 PolarHBondContact O-N 2.84Å
329K64.3Low63.1Low73 Ų7361.4 Ų61.432%0.31731%0.306SS..Hα-helixtrans-47.2-38.4175.3-170177.7-179.9-174.90109.5R325 S333 Q386R325-K329 PolarHBondContact O-N 2.98Å; K329-S333 WeakPolarHBondContact O-CB 3.45Å; K329-S333 PolarHBondContact O-N 2.93Å; K329-S333 PolarHBondContact O-OG 3.2Å; K329-Q386 PolarHBondContact NZ-O 3.14Å
330Y51.2Low61.8Low62 Ų6266.4 Ų66.424%0.24333%0.332CS..Hα-helixtrans-69-38.9177.4-171.9-108.6000116.1R328 I332 D516 L519 P520R328-Y330 PolarHBondContact O-N 3.48Å; Y330-I332 VanDerWaalsContact C-N 3.25Å; Y330-I332 PolarHBondContact O-N 2.9Å; Y330-D516 WeakPolarHBondContact CE2-O 3.35Å; Y330-D516 PolarHBondContact OH-O 3.03Å; Y330-L519 HydrophobicContact CD1-CG 4.48Å; Y330-L519 HydrophobicContact CD2-CB 3.84Å; Y330-L519 HydrophobicContact CD2-CD2 3.1Å; Y330-L519 HydrophobicContact CD2-CG 3.46Å; Y330-L519 VanDerWaalsContact CD2-CG 3.46Å; Y330-L519 HydrophobicContact CE2-CB 3.66Å; Y330-L519 HydrophobicContact CE2-CD2 3.72Å; Y330-L519 HydrophobicContact CE2-CG 3.86Å; Y330-L519 HydrophobicContact CG-CB 4.39Å; Y330-L519 HydrophobicContact CG-CD2 3.75Å; Y330-L519 HydrophobicContact CG-CG 3.76Å; Y330-P520 HydrophobicContact CE1-CB 4.07Å; Y330-P520 HydrophobicContact CE1-CG 3.53Å; Y330-P520 VanDerWaalsContact OH-CD 3.24Å; Y330-P520 WeakPolarHBondContact OH-CD 3.42Å; Y330-P520 WeakPolarHBondContact OH-CG 3.33Å
331V51.4Low60.6Low81 Ų8167.4 Ų67.449%0.49134%0.342SS..Hα-helixtrans-68.1-31.2178.4-178.70000111R328R328-V331 PolarHBondContact O-N 3.25Å
332I49.8Very low59.9Low70 Ų7070.1 Ų70.136%0.35936%0.36SS..Hα-helixtrans-87.8-34.7-177.1-57.6173.9000111.2D59 R328 Y330 H334D59-I332 HydrophobicContact CB-CD1 4.42Å; R328-I332 PolarHBondContact O-N 2.84Å; Y330-I332 VanDerWaalsContact C-N 3.25Å; Y330-I332 PolarHBondContact O-N 2.9Å; I332-H334 PolarHBondContact O-N 2.81Å; I332-H334 VanDerWaalsContact O-N 3.14Å
333S46.7Very low59.8Low47 Ų4776.2 Ų76.233%0.32939%0.389SS..  trans-84.183.5177.868.40000112K329 K335K329-S333 WeakPolarHBondContact O-CB 3.45Å; K329-S333 PolarHBondContact O-N 2.93Å; K329-S333 PolarHBondContact O-OG 3.2Å; S333-K335 PolarHBondContact O-N 3.17Å
334H42.9Very low60.1Low158 Ų15876.3 Ų76.373%0.73139%0.39SS*.  trans-71.474.2156.4-9662000109I332I332-H334 PolarHBondContact O-N 2.81Å; I332-H334 VanDerWaalsContact O-N 3.14Å
335K45.6Very low60.2Low129 Ų12978.6 Ų78.656%0.56140%0.402SS*.PPolyproline II helixtrans-78124.6162.4-78-174.3178.7178.60106.6S333 E337 D387S333-K335 PolarHBondContact O-N 3.17Å; K335-E337 PolarHBondContact O-N 3.32Å; K335-D387 IonicContact NZ-OD1 3.93Å; K335-D387 PolarHBondContact NZ-OD1 3.33Å
336K40.5Very low60.2Low202 Ų20282.7 Ų82.788%0.87843%0.425SS*.PPolyproline II helixtrans-59.7121.4169.2-86.1-177.7174.6-179.50107.3V338K336-V338 PolarHBondContact O-N 2.89Å; K336-V338 VanDerWaalsContact O-N 3.12Å
337E44.3Very low60.7Low100 Ų10086.7 Ų86.747%0.46745%0.454SS..PPolyproline II helixtrans-55.2117.1173.7-73-178.9157.600109.2K335 D516 S517K335-E337 PolarHBondContact O-N 3.32Å; E337-D516 HydrophobicContact CG-CB 4.16Å; E337-S517 VanDerWaalsContact OE1-CA 3.24Å; E337-S517 WeakPolarHBondContact OE1-CA 3.41Å; E337-S517 VanDerWaalsContact OE1-CB 3.23Å; E337-S517 WeakPolarHBondContact OE1-CB 3.16Å; E337-S517 PolarHBondContact OE1-N 2.84Å
338V42Very low61.6Low107 Ų10792.2 Ų92.265%0.64848%0.476SS*.PPolyproline II helixtrans-85.8124163.2179.70000105.7K336 L340K336-V338 PolarHBondContact O-N 2.89Å; K336-V338 VanDerWaalsContact O-N 3.12Å; V338-L340 HydrophobicContact CB-CD1 4.25Å; V338-L340 HydrophobicContact CG1-CD1 4.32Å; V338-L340 PolarHBondContact O-N 3.2Å
339P47.8Very low62.2Low106 Ų10696 Ų9669%0.68849%0.492SS*.  trans-67.495.1178.8-1528.1000110G341P339-G341 VanDerWaalsContact C-N 3.26Å; P339-G341 PolarHBondContact O-N 3.43Å
340L56.5Low63.2Low142 Ų14294.4 Ų94.474%0.74350%0.497SS*.  trans-90.863.1170.3-84.9116.2000108.9V338 Q490V338-L340 HydrophobicContact CB-CD1 4.25Å; V338-L340 HydrophobicContact CG1-CD1 4.32Å; V338-L340 PolarHBondContact O-N 3.2Å; L340-Q490 VanDerWaalsContact C-OE1 3.27Å; L340-Q490 PolarHBondContact O-OE1 3.06Å
341G59.3Low64.9Low21 Ų2195.1 Ų95.122%0.21651%0.512CS..PPolyproline II helixtrans-95.9127.3170.100000109.8P339 Q343P339-G341 VanDerWaalsContact C-N 3.26Å; P339-G341 PolarHBondContact O-N 3.43Å; G341-Q343 PolarHBondContact O-N 2.85Å
342T75.5Confident66.7Low68 Ų6892 Ų9242%0.41749%0.492SS..EExtended strand (participates in β ladder)trans-63.1122.3171.3-57.20000108.5W344 V475 V476T342-W344 PolarHBondContact O-N 3.26Å; T342-V475 WeakPolarHBondContact O-CA 3.48Å; T342-V476 PolarHBondContact O-N 2.79Å
343Q82.7Confident68.6Low148 Ų14888.7 Ų88.769%0.69248%0.475SS*.EExtended strand (participates in β ladder)trans-64.1121.8176.2-171.4171.94.400108.9G341 D345G341-Q343 PolarHBondContact O-N 2.85Å; Q343-D345 PolarHBondContact O-N 3.24Å
344W83.3Confident70.8Confident25 Ų2590.7 Ų90.710%0.09548%0.482CS..PPolyproline II helixtrans-69.6122.9178.2-177.1-108.8000109.7T342 K349 I352 V430 I436 L455 V475 V476 L477T342-W344 PolarHBondContact O-N 3.26Å; W344-K349 HydrophobicContact CH2-CB 3.95Å; W344-K349 HydrophobicContact CZ2-CB 4.06Å; W344-I352 HydrophobicContact CE3-CD1 3.93Å; W344-I352 HydrophobicContact CE3-CG2 4.28Å; W344-I352 HydrophobicContact CZ3-CB 4.16Å; W344-I352 HydrophobicContact CZ3-CD1 4.07Å; W344-I352 HydrophobicContact CZ3-CG2 3.89Å; W344-V430 HydrophobicContact CH2-CB 4.48Å; W344-V430 HydrophobicContact CH2-CG1 3.81Å; W344-V430 HydrophobicContact CH2-CG2 3.85Å; W344-V430 HydrophobicContact CZ2-CB 4.36Å; W344-V430 HydrophobicContact CZ2-CG1 3.81Å; W344-V430 HydrophobicContact CZ2-CG2 3.55Å; W344-I436 HydrophobicContact CD2-CD1 3.79Å; W344-I436 HydrophobicContact CE3-CD1 4.24Å; W344-I436 HydrophobicContact CG-CD1 4.28Å; W344-I436 HydrophobicContact CH2-CD1 4.2Å; W344-I436 HydrophobicContact CZ2-CD1 3.74Å; W344-I436 HydrophobicContact CZ3-CD1 4.44Å; W344-L455 HydrophobicContact CH2-CD1 3.96Å; W344-L455 HydrophobicContact CZ3-CD1 3.99Å; W344-L455 HydrophobicContact CZ3-CD2 3.9Å; W344-L455 HydrophobicContact CZ3-CG 4.44Å; W344-V475 HydrophobicContact CB-CB 4.35Å; W344-V475 HydrophobicContact CE3-CB 4.39Å; W344-V475 HydrophobicContact CE3-CG1 4.08Å; W344-V476 WeakPolarHBondContact CB-O 3.4Å; W344-V476 PolarHBondContact N-O 2.64Å; W344-L477 HydrophobicContact CB-CD2 3.67Å; W344-L477 HydrophobicContact CB-CG 4.25Å; W344-L477 HydrophobicContact CG-CD2 3.52Å; W344-L477 HydrophobicContact CG-CG 4.41Å
345D83.6Confident73.1Confident53 Ų5387.1 Ų87.128%0.28347%0.471SS..  trans-129.4111.2176.9-179.9-6000108.4Q343 S347 K348 K349Q343-D345 PolarHBondContact O-N 3.24Å; D345-S347 PolarHBondContact O-N 2.67Å; D345-S347 WeakPolarHBondContact OD1-CB 3.46Å; D345-S347 PolarHBondContact OD1-N 3.42Å; D345-S347 PolarHBondContact OD1-OG 2.83Å; D345-S347 PolarHBondContact OD2-OG 3.12Å; D345-S347 VanDerWaalsContact OD2-OG 3.1Å; D345-K348 HydrophobicContact CB-CB 4.33Å; D345-K348 HydrophobicContact CB-CD 4.43Å; D345-K348 HydrophobicContact CB-CG 4.5Å; D345-K348 CarbonylContact O-C 3.49Å; D345-K348 WeakPolarHBondContact O-CA 3.38Å; D345-K348 PolarHBondContact O-N 2.72Å; D345-K348 IonicContact OD2-NZ 3.83Å; D345-K349 PolarHBondContact O-N 3.46Å
346I82.8Confident75.4Confident116 Ų11681 Ų8160%0.59545%0.445SS*.G310 helixtrans-60.5-28.2-176.5-154.5166.8000112K348 K349I346-K348 PolarHBondContact O-N 2.83Å; I346-K349 WeakPolarHBondContact O-CB 3.26Å; I346-K349 WeakPolarHBondContact O-CG 3.41Å; I346-K349 PolarHBondContact O-N 2.99Å
347S83.5Confident77.9Confident95 Ų9571.7 Ų71.766%0.66441%0.405SS*.G310 helixtrans-68.9-22.5176.8740000112.4D345D345-S347 PolarHBondContact O-N 2.67Å; D345-S347 WeakPolarHBondContact OD1-CB 3.46Å; D345-S347 PolarHBondContact OD1-N 3.42Å; D345-S347 PolarHBondContact OD1-OG 2.83Å; D345-S347 PolarHBondContact OD2-OG 3.12Å; D345-S347 VanDerWaalsContact OD2-OG 3.1Å
348K85.2Confident80.3Confident123 Ų12371 Ų7154%0.53540%0.402SS..G310 helixtrans-108.511.4-179.4-63.9178.6-174169.50113.1D345 I346 G350 S351 I352D345-K348 HydrophobicContact CB-CB 4.33Å; D345-K348 HydrophobicContact CB-CD 4.43Å; D345-K348 HydrophobicContact CB-CG 4.5Å; D345-K348 CarbonylContact O-C 3.49Å; D345-K348 WeakPolarHBondContact O-CA 3.38Å; D345-K348 PolarHBondContact O-N 2.72Å; D345-K348 IonicContact OD2-NZ 3.83Å; I346-K348 PolarHBondContact O-N 2.83Å; K348-G350 VanDerWaalsContact C-N 3.29Å; K348-G350 PolarHBondContact O-N 2.79Å; K348-G350 VanDerWaalsContact O-N 3.12Å; K348-S351 WeakPolarHBondContact O-CB 3.37Å; K348-S351 PolarHBondContact O-N 3.2Å; K348-I352 HydrophobicContact CB-CD1 4.21Å; K348-I352 HydrophobicContact CB-CG1 4.29Å; K348-I352 WeakPolarHBondContact O-CG1 3.37Å; K348-I352 PolarHBondContact O-N 3.04Å
349K87.2Confident82.7Confident89 Ų8967.8 Ų67.839%0.38739%0.386SS..Hα-helixtrans-48.2-46.2-173.367-177.9-171.3165.10113.8W344 D345 I346 S351 I352 S353 V430W344-K349 HydrophobicContact CH2-CB 3.95Å; W344-K349 HydrophobicContact CZ2-CB 4.06Å; D345-K349 PolarHBondContact O-N 3.46Å; I346-K349 WeakPolarHBondContact O-CB 3.26Å; I346-K349 WeakPolarHBondContact O-CG 3.41Å; I346-K349 PolarHBondContact O-N 2.99Å; K349-S351 PolarHBondContact O-N 2.9Å; K349-I352 PolarHBondContact O-N 2.73Å; K349-S353 WeakPolarHBondContact O-CB 3.42Å; K349-S353 PolarHBondContact O-N 3.35Å; K349-S353 PolarHBondContact O-OG 3.47Å; K349-S353 VanDerWaalsContact O-OG 3.1Å; K349-V430 HydrophobicContact CB-CG1 3.77Å; K349-V430 HydrophobicContact CD-CG1 3.78Å; K349-V430 HydrophobicContact CG-CG1 4.23Å; K349-V430 PolarHBondContact NZ-O 3.19Å; K349-V430 VanDerWaalsContact NZ-O 3.1Å
350G84.2Confident84.9Confident41 Ų4162.7 Ų62.742%0.42335%0.353SS..Hα-helixtrans-65.2-38.1179.300000113.5K348 N354K348-G350 VanDerWaalsContact C-N 3.29Å; K348-G350 PolarHBondContact O-N 2.79Å; K348-G350 VanDerWaalsContact O-N 3.12Å; G350-N354 WeakPolarHBondContact O-CB 3.19Å; G350-N354 VanDerWaalsContact O-CG 3.23Å; G350-N354 PolarHBondContact O-N 3.16Å; G350-N354 PolarHBondContact O-ND2 2.92Å
351S88.2Confident86.7Confident77 Ų7759.5 Ų59.554%0.53833%0.333SS..Hα-helixtrans-68.3-42.8177.1-176.80000111.5K348 K349 N354 T355K348-S351 WeakPolarHBondContact O-CB 3.37Å; K348-S351 PolarHBondContact O-N 3.2Å; K349-S351 PolarHBondContact O-N 2.9Å; S351-N354 PolarHBondContact O-N 3.43Å; S351-T355 WeakPolarHBondContact O-CB 3.33Å; S351-T355 PolarHBondContact O-N 3.05Å; S351-T355 PolarHBondContact O-OG1 3.34Å
352I88.6Confident88.3Confident15 Ų1563 Ų638%0.07735%0.347CS..Hα-helixtrans-64.3-47.7177.9-59.7172000110.1W344 K348 K349 N354 T355 N356 L455 M473W344-I352 HydrophobicContact CE3-CD1 3.93Å; W344-I352 HydrophobicContact CE3-CG2 4.28Å; W344-I352 HydrophobicContact CZ3-CB 4.16Å; W344-I352 HydrophobicContact CZ3-CD1 4.07Å; W344-I352 HydrophobicContact CZ3-CG2 3.89Å; K348-I352 HydrophobicContact CB-CD1 4.21Å; K348-I352 HydrophobicContact CB-CG1 4.29Å; K348-I352 WeakPolarHBondContact O-CG1 3.37Å; K348-I352 PolarHBondContact O-N 3.04Å; K349-I352 PolarHBondContact O-N 2.73Å; I352-N354 PolarHBondContact O-N 2.89Å; I352-T355 PolarHBondContact O-N 3.41Å; I352-N356 PolarHBondContact O-N 3.27Å; I352-L455 HydrophobicContact CG2-CD2 3.8Å; I352-M473 HydrophobicContact CG2-CE 3.64Å; I352-M473 HydrophobicContact CG2-SD 4.41Å; I352-M473 WeakPolarHBondContact O-CE 3.25Å
353S90.8Very high89.1Confident0 Ų060 Ų600%033%0.328CS..Hα-helixtrans-60.1-42.5177.3-63.10000112.8K349 N356 V357 D434K349-S353 WeakPolarHBondContact O-CB 3.42Å; K349-S353 PolarHBondContact O-N 3.35Å; K349-S353 PolarHBondContact O-OG 3.47Å; K349-S353 VanDerWaalsContact O-OG 3.1Å; S353-N356 WeakPolarHBondContact O-CB 3.34Å; S353-N356 PolarHBondContact O-N 2.9Å; S353-V357 PolarHBondContact O-N 3.1Å; S353-D434 WeakPolarHBondContact CB-OD1 3.16Å; S353-D434 PolarHBondContact OG-OD1 3.2Å; S353-D434 PolarHBondContact OG-OD2 2.94Å
354N91.2Very high89.6Confident89 Ų8954.5 Ų54.548%0.47631%0.308SS..Hα-helixtrans-68.1-38.9178-71.7-14.8000111.8G350 S351 I352 N356 V357 E358 R459G350-N354 WeakPolarHBondContact O-CB 3.19Å; G350-N354 VanDerWaalsContact O-CG 3.23Å; G350-N354 PolarHBondContact O-N 3.16Å; G350-N354 PolarHBondContact O-ND2 2.92Å; S351-N354 PolarHBondContact O-N 3.43Å; I352-N354 PolarHBondContact O-N 2.89Å; N354-N356 VanDerWaalsContact C-N 3.26Å; N354-N356 PolarHBondContact O-N 2.85Å; N354-V357 PolarHBondContact O-N 2.95Å; N354-E358 WeakPolarHBondContact O-CG 3.49Å; N354-E358 PolarHBondContact O-N 3.43Å; N354-R459 PolarHBondContact OD1-NH2 3.43Å
355T92Very high90.1Very high83 Ų8357.7 Ų57.751%0.50933%0.334SS..Hα-helixtrans-60.8-37.3174-56.20000111.3S351 I352 A359S351-T355 WeakPolarHBondContact O-CB 3.33Å; S351-T355 PolarHBondContact O-N 3.05Å; S351-T355 PolarHBondContact O-OG1 3.34Å; I352-T355 PolarHBondContact O-N 3.41Å; T355-A359 VanDerWaalsContact O-CB 3.27Å; T355-A359 WeakPolarHBondContact O-CB 3.04Å; T355-A359 PolarHBondContact O-N 2.96Å
356N93.7Very high90.4Very high2 Ų258.4 Ų58.41%0.01134%0.335CS..Hα-helixtrans-56.9-52.3174.7-160.16.5000112.1I352 S353 N354 A359 L360 L455 S457 A471 L472 M473I352-N356 PolarHBondContact O-N 3.27Å; S353-N356 WeakPolarHBondContact O-CB 3.34Å; S353-N356 PolarHBondContact O-N 2.9Å; N354-N356 VanDerWaalsContact C-N 3.26Å; N354-N356 PolarHBondContact O-N 2.85Å; N356-A359 PolarHBondContact O-N 3.49Å; N356-L360 PolarHBondContact O-N 3.37Å; N356-L455 PolarHBondContact ND2-O 2.87Å; N356-S457 PolarHBondContact ND2-OG 3.27Å; N356-A471 HydrophobicContact CB-CB 4.36Å; N356-A471 PolarHBondContact ND2-O 2.84Å; N356-L472 VanDerWaalsContact OD1-C 3.3Å; N356-M473 HydrophobicContact CB-CE 3.31Å; N356-M473 HydrophobicContact CB-CG 4.38Å; N356-M473 PolarHBondContact OD1-N 3.3Å
357V93.8Very high90.5Very high6 Ų658 Ų584%0.03634%0.343CS..Hα-helixtrans-65.3-45.5-177.4173.70000110.6S353 N354 A359 L360 K361 R459 I469 A471S353-V357 PolarHBondContact O-N 3.1Å; N354-V357 PolarHBondContact O-N 2.95Å; V357-A359 PolarHBondContact O-N 2.81Å; V357-L360 PolarHBondContact O-N 2.92Å; V357-K361 HydrophobicContact CG1-CD 4.45Å; V357-K361 WeakPolarHBondContact O-CG 3.43Å; V357-K361 PolarHBondContact O-N 3.01Å; V357-R459 HydrophobicContact CG1-CG 4.1Å; V357-R459 HydrophobicContact CG2-CG 3.78Å; V357-I469 HydrophobicContact CG1-CD1 4.3Å; V357-I469 HydrophobicContact CG1-CG2 4.3Å; V357-A471 HydrophobicContact CG2-CB 4.23Å
358E93.4Very high90.5Very high85 Ų8554.5 Ų54.540%0.39732%0.321SS..Hα-helixtrans-66.6-35.6178.8-69.4-53.413600112.4N354 L360 K361 N362N354-E358 WeakPolarHBondContact O-CG 3.49Å; N354-E358 PolarHBondContact O-N 3.43Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.45Å; E358-K361 PolarHBondContact O-N 2.9Å; E358-K361 IonicContact OE1-NZ 3.8Å; E358-K361 PolarHBondContact OE1-NZ 2.93Å; E358-N362 VanDerWaalsContact O-CB 3.28Å; E358-N362 WeakPolarHBondContact O-CB 3.48Å; E358-N362 PolarHBondContact O-N 3.42Å; E358-N362 PolarHBondContact O-ND2 3.34Å
359A93.1Very high90.5Very high39 Ų3950.5 Ų50.532%0.32230%0.303SS..Hα-helixtrans-59.8-43.2173.500000111.8T355 N356 V357 N362 L363 C493T355-A359 VanDerWaalsContact O-CB 3.27Å; T355-A359 WeakPolarHBondContact O-CB 3.04Å; T355-A359 PolarHBondContact O-N 2.96Å; N356-A359 PolarHBondContact O-N 3.49Å; V357-A359 PolarHBondContact O-N 2.81Å; A359-N362 PolarHBondContact O-N 3.35Å; A359-L363 WeakPolarHBondContact O-CB 3.1Å; A359-L363 PolarHBondContact O-N 3.38Å; A359-C493 VanDerWaalsContact C-SG 3.59Å
360L95Very high90.2Very high0 Ų048.3 Ų48.30%029%0.294CS..Hα-helixtrans-67.6-42177.8-177.763000112.3N356 V357 E358 L363 A364 I469 A471 C493 L497 L511N356-L360 PolarHBondContact O-N 3.37Å; V357-L360 PolarHBondContact O-N 2.92Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.45Å; L360-L363 PolarHBondContact O-N 2.99Å; L360-A364 WeakPolarHBondContact O-CB 3.04Å; L360-A364 PolarHBondContact O-N 2.81Å; L360-I469 HydrophobicContact CD2-CG2 3.82Å; L360-A471 HydrophobicContact CB-CB 4.08Å; L360-A471 HydrophobicContact CD2-CB 3.86Å; L360-C493 VanDerWaalsContact CA-SG 3.57Å; L360-L497 HydrophobicContact CD2-CD2 4.09Å; L360-L497 HydrophobicContact CG-CD2 4.34Å; L360-L511 HydrophobicContact CD1-CB 3.92Å; L360-L511 HydrophobicContact CD1-CD1 4.28Å
361K93.5Very high90Very high75 Ų7550.9 Ų50.933%0.32630%0.297SS..Hα-helixtrans-60.6-46.2174.6-72.5178.3-176.2170.30111.4V357 E358 L363 A364 S365 I469V357-K361 HydrophobicContact CG1-CD 4.45Å; V357-K361 WeakPolarHBondContact O-CG 3.43Å; V357-K361 PolarHBondContact O-N 3.01Å; E358-K361 PolarHBondContact O-N 2.9Å; E358-K361 IonicContact OE1-NZ 3.8Å; E358-K361 PolarHBondContact OE1-NZ 2.93Å; K361-L363 VanDerWaalsContact C-N 3.31Å; K361-L363 PolarHBondContact O-N 3.11Å; K361-A364 PolarHBondContact O-N 2.97Å; K361-S365 PolarHBondContact O-N 2.96Å; K361-S365 PolarHBondContact O-OG 3.36Å; K361-I469 HydrophobicContact CD-CD1 4.23Å; K361-I469 HydrophobicContact CG-CD1 3.92Å
362N93.4Very high89.2Confident95 Ų9547.8 Ų47.851%0.50828%0.275SS..Hα-helixtrans-61.7-39.2177.4-73.3-24.6000111.9E358 A359 S365 K366E358-N362 VanDerWaalsContact O-CB 3.28Å; E358-N362 WeakPolarHBondContact O-CB 3.48Å; E358-N362 PolarHBondContact O-N 3.42Å; E358-N362 PolarHBondContact O-ND2 3.34Å; A359-N362 PolarHBondContact O-N 3.35Å; N362-S365 PolarHBondContact O-OG 2.99Å; N362-S365 VanDerWaalsContact O-OG 3.07Å; N362-K366 VanDerWaalsContact O-CG 3.26Å; N362-K366 WeakPolarHBondContact O-CG 3.26Å; N362-K366 PolarHBondContact O-N 2.77Å
363L92.8Very high88.4Confident4 Ų448.2 Ų48.22%0.02128%0.278CS..Hα-helixtrans-64.3-43174.718060.7000111.7A359 L360 K361 S365 K366 W369 L511 Q513A359-L363 WeakPolarHBondContact O-CB 3.1Å; A359-L363 PolarHBondContact O-N 3.38Å; L360-L363 PolarHBondContact O-N 2.99Å; K361-L363 VanDerWaalsContact C-N 3.31Å; K361-L363 PolarHBondContact O-N 3.11Å; L363-S365 VanDerWaalsContact C-N 3.34Å; L363-K366 HydrophobicContact CD1-CD 4.32Å; L363-K366 PolarHBondContact O-N 3.24Å; L363-W369 HydrophobicContact CD1-CH2 4.45Å; L363-W369 HydrophobicContact CD1-CZ2 4.07Å; L363-W369 HydrophobicContact CG-CZ2 4.18Å; L363-L511 HydrophobicContact CD2-CB 4.08Å; L363-L511 HydrophobicContact CD2-CD2 4.47Å; L363-L511 HydrophobicContact CG-CD2 4.2Å; L363-Q513 HydrophobicContact CD2-CB 4Å
364A93Very high87.7Confident33 Ų3351.9 Ų51.927%0.27330%0.301SS..Hα-helixtrans-69.3-30.2-179.500000113.5L360 K361 L497 L511L360-A364 WeakPolarHBondContact O-CB 3.04Å; L360-A364 PolarHBondContact O-N 2.81Å; K361-A364 PolarHBondContact O-N 2.97Å; A364-L497 HydrophobicContact CB-CD1 3.39Å; A364-L511 HydrophobicContact CB-CD2 3.76Å
365S92.3Very high87.2Confident91 Ų9151.5 Ų51.564%0.63630%0.299SS*.Hα-helixtrans-82.5-8.7178.766.70000114.2K361 N362 L363 S367K361-S365 PolarHBondContact O-N 2.96Å; K361-S365 PolarHBondContact O-OG 3.36Å; N362-S365 PolarHBondContact O-OG 2.99Å; N362-S365 VanDerWaalsContact O-OG 3.07Å; L363-S365 VanDerWaalsContact C-N 3.34Å; S365-S367 PolarHBondContact O-N 3.16Å
366K90.8Very high86.7Confident68 Ų6857.1 Ų57.130%0.29632%0.319SS..  trans-57.9137.5176.2-64.7-164.6-179.6-173.50110.9N362 L363 W369 L383 E385N362-K366 VanDerWaalsContact O-CG 3.26Å; N362-K366 WeakPolarHBondContact O-CG 3.26Å; N362-K366 PolarHBondContact O-N 2.77Å; L363-K366 HydrophobicContact CD1-CD 4.32Å; L363-K366 PolarHBondContact O-N 3.24Å; K366-W369 PolarHBondContact O-NE1 3.02Å; K366-L383 HydrophobicContact CB-CD2 3.66Å; K366-L383 HydrophobicContact CD-CD2 3.57Å; K366-L383 HydrophobicContact CG-CD2 4.19Å; K366-E385 IonicContact NZ-OE1 2.73Å; K366-E385 PolarHBondContact NZ-OE1 2.85Å; K366-E385 IonicContact NZ-OE2 2.9Å; K366-E385 PolarHBondContact NZ-OE2 3.36Å
367S85.8Confident86.5Confident109 Ų10961.3 Ų61.376%0.76234%0.337SS*.SBendtrans-77.3164.5167.257.50000110.5S365 L383S365-S367 PolarHBondContact O-N 3.16Å; S367-L383 VanDerWaalsContact O-CD1 3.31Å; S367-L383 WeakPolarHBondContact O-CD1 3.38Å
368G82.3Confident86.4Confident21 Ų2161.6 Ų61.622%0.21634%0.338CS..  trans89.112.9174.300000116Q257 E370 L383Q257-G368 VanDerWaalsContact CD-CA 3.49Å; Q257-G368 VanDerWaalsContact NE2-C 3.31Å; Q257-G368 PolarHBondContact NE2-O 2.9Å; G368-E370 PolarHBondContact O-N 3.4Å; G368-L383 VanDerWaalsContact C-CD1 3.48Å; G368-L383 WeakPolarHBondContact O-CD1 3.49Å
369W85.9Confident86.2Confident38 Ų3861.3 Ų61.314%0.14434%0.336CS..  trans-64.9122.4167.3-70.597.9000110.5L363 K366 Y381 L383 K392 L511L363-W369 HydrophobicContact CD1-CH2 4.45Å; L363-W369 HydrophobicContact CD1-CZ2 4.07Å; L363-W369 HydrophobicContact CG-CZ2 4.18Å; K366-W369 PolarHBondContact O-NE1 3.02Å; W369-Y381 HydrophobicContact CB-CD1 4.26Å; W369-L383 HydrophobicContact CD2-CB 3.81Å; W369-L383 HydrophobicContact CD2-CD2 4.48Å; W369-L383 HydrophobicContact CE3-CB 3.63Å; W369-L383 HydrophobicContact CG-CB 4.5Å; W369-L383 HydrophobicContact CH2-CB 4.05Å; W369-L383 HydrophobicContact CZ2-CB 4.19Å; W369-L383 HydrophobicContact CZ2-CD2 4.05Å; W369-L383 HydrophobicContact CZ3-CB 3.74Å; W369-K392 HydrophobicContact CD2-CB 4.43Å; W369-K392 HydrophobicContact CE3-CB 3.84Å; W369-K392 HydrophobicContact CH2-CB 3.87Å; W369-K392 HydrophobicContact CZ2-CB 4.47Å; W369-K392 HydrophobicContact CZ3-CB 3.54Å; W369-L511 HydrophobicContact CH2-CD2 4.29Å; W369-L511 HydrophobicContact CZ2-CD2 3.92Å
370E79.9Confident86Confident43 Ų4359.9 Ų59.920%0.20132%0.322CS..EExtended strand (participates in β ladder)trans-110.5134.8177.7-70.2-176.2-144.600111F256 Q257 R322 G368 T372 Y381 T382F256-E370 WeakPolarHBondContact CD1-OE2 3.47Å; Q257-E370 PolarHBondContact NE2-OE1 3.42Å; Q257-E370 VanDerWaalsContact NE2-OE1 3.12Å; R322-E370 IonicContact CZ-OE1 3.44Å; R322-E370 IonicContact CZ-OE2 2.72Å; R322-E370 IonicContact NH1-OE1 2.83Å; R322-E370 PolarHBondContact NH1-OE1 2.91Å; R322-E370 IonicContact NH1-OE2 3.42Å; R322-E370 PolarHBondContact NH1-OE2 3.4Å; R322-E370 IonicContact NH2-OE1 3.89Å; G368-E370 PolarHBondContact O-N 3.4Å; E370-T372 PolarHBondContact O-N 2.89Å; E370-Y381 CarbonylContact O-C 3.52Å; E370-Y381 WeakPolarHBondContact O-CA 3.39Å; E370-T382 PolarHBondContact N-O 2.98Å; E370-T382 PolarHBondContact O-N 2.94Å
371I80.6Confident85.7Confident95 Ų9561.1 Ų61.149%0.48733%0.327SS..EExtended strand (participates in β ladder)trans-67.5115.3176.5-64.7169.4000108.4T374 Y381I371-T374 VanDerWaalsContact CG2-OG1 3.31Å; I371-T374 WeakPolarHBondContact CG2-OG1 3.44Å; I371-Y381 HydrophobicContact CB-CD1 4.45Å; I371-Y381 HydrophobicContact CB-CE1 4.45Å; I371-Y381 HydrophobicContact CD1-CE1 3.95Å; I371-Y381 HydrophobicContact CG1-CD1 3.58Å; I371-Y381 HydrophobicContact CG1-CE1 3.21Å; I371-Y381 HydrophobicContact CG1-CG 4.5Å
372T70.5Confident85.3Confident13 Ų1358 Ų588%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-83.7-60.6171.9-40.10000108.7R323 E370 I380 T382R323-T372 HydrophobicContact CG-CG2 4.18Å; R323-T372 VanDerWaalsContact NE-CG2 3.32Å; R323-T372 VanDerWaalsContact NH2-C 3.33Å; R323-T372 PolarHBondContact NH2-O 2.91Å; E370-T372 PolarHBondContact O-N 2.89Å; T372-I380 PolarHBondContact N-O 2.98Å; T372-T382 VanDerWaalsContact OG1-CG2 3.23Å; T372-T382 WeakPolarHBondContact OG1-CG2 3.16Å; T372-T382 PolarHBondContact OG1-N 2.95Å; T372-T382 PolarHBondContact OG1-OG1 3.44Å
373T72Confident84.9Confident23 Ų2353.9 Ų53.914%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-129.4138.7-172.6-59.70000110.2R323 L375 K379 I380R323-T373 PolarHBondContact NH2-OG1 2.96Å; T373-L375 HydrophobicContact CG2-CG 4.29Å; T373-K379 WeakPolarHBondContact O-CA 3.34Å; T373-I380 PolarHBondContact N-O 2.97Å; T373-I380 PolarHBondContact O-N 2.92Å
374T77.1Confident84.1Confident77 Ų7755.8 Ų55.847%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-124.8121.2171.3-600000109.3I371 K379I371-T374 VanDerWaalsContact CG2-OG1 3.31Å; I371-T374 WeakPolarHBondContact CG2-OG1 3.44Å; T374-K379 HydrophobicContact CG2-CG 4.25Å
375L79.8Confident83.2Confident82 Ų8257.3 Ų57.343%0.42930%0.303SS..EExtended strand (participates in β ladder)trans-117166.4167-60.1174.2000107.9T373 K377 I378 E534T373-L375 HydrophobicContact CG2-CG 4.29Å; L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.42Å; L375-K377 VanDerWaalsContact O-N 3.12Å; L375-I378 HydrophobicContact CB-CB 4.28Å; L375-I378 PolarHBondContact N-O 3.3Å; L375-I378 PolarHBondContact O-N 3.13Å; L375-I378 VanDerWaalsContact O-N 3.11Å; L375-E534 HydrophobicContact CD1-CB 4.06Å; L375-E534 HydrophobicContact CD1-CG 3.73Å
376E82.5Confident81.7Confident201 Ų20160.7 Ų60.794%0.93931%0.309SS*.THydrogen-bonded Turntrans-45.3-50-172-168.9-179.7178.600114.7
377K88.7Confident80.5Confident90 Ų9063.7 Ų63.739%0.39133%0.328SS..THydrogen-bonded Turntrans-108.40.4177.8-70.8-173.7171.7-172.10114.5L375 K395 Q396 I541 E545L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.42Å; L375-K377 VanDerWaalsContact O-N 3.12Å; K377-K395 CarbonylContact O-C 3.59Å; K377-K395 WeakPolarHBondContact O-CA 3.38Å; K377-Q396 HydrophobicContact CB-CB 4.42Å; K377-Q396 PolarHBondContact O-N 2.94Å; K377-I541 HydrophobicContact CB-CD1 4.03Å; K377-I541 HydrophobicContact CD-CG2 4.41Å; K377-E545 IonicContact NZ-OE1 3.92Å; K377-E545 PolarHBondContact NZ-OE1 3.17Å; K377-E545 IonicContact NZ-OE2 2.89Å; K377-E545 PolarHBondContact NZ-OE2 3.47Å
378I91.6Very high79.8Confident11 Ų1159.5 Ų59.56%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-130.9126.1-168.1-56.3164000110.1L375 I380 V393 E394 A537 A538 I541L375-I378 HydrophobicContact CB-CB 4.28Å; L375-I378 PolarHBondContact N-O 3.3Å; L375-I378 PolarHBondContact O-N 3.13Å; L375-I378 VanDerWaalsContact O-N 3.11Å; I378-I380 HydrophobicContact CG2-CG1 4.26Å; I378-V393 HydrophobicContact CG2-CG1 4Å; I378-E394 CarbonylContact C-O 3.53Å; I378-E394 WeakPolarHBondContact CA-O 3.4Å; I378-A537 HydrophobicContact CD1-CB 3.84Å; I378-A537 HydrophobicContact CG1-CB 4.27Å; I378-A537 HydrophobicContact CG2-CB 4.1Å; I378-A538 HydrophobicContact CD1-CB 4.24Å; I378-I541 HydrophobicContact CD1-CD1 4.17Å; I378-I541 HydrophobicContact CG1-CD1 3.78Å
379K90.1Very high79.6Confident79 Ų7959.2 Ų59.234%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-120.1128170.8-61.3176.6-170.5165.20109.8T373 T374 Y381 E394T373-K379 WeakPolarHBondContact O-CA 3.34Å; T374-K379 HydrophobicContact CG2-CG 4.25Å; K379-Y381 HydrophobicContact CB-CD2 4.39Å; K379-Y381 HydrophobicContact CB-CE2 3.54Å; K379-Y381 VanDerWaalsContact CD-OH 3.3Å; K379-Y381 WeakPolarHBondContact CD-OH 3.36Å; K379-E394 HydrophobicContact CB-CB 4.31Å; K379-E394 PolarHBondContact N-O 2.85Å; K379-E394 IonicContact NZ-OE1 3.49Å; K379-E394 PolarHBondContact O-N 3.11Å
380I88.1Confident79.7Confident9 Ų957.4 Ų57.45%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-108.5127.8176.9-56.5176.7000107.9T372 T373 I378 V391 K392 V393 I533 E534T372-I380 PolarHBondContact N-O 2.98Å; T373-I380 PolarHBondContact N-O 2.97Å; T373-I380 PolarHBondContact O-N 2.92Å; I378-I380 HydrophobicContact CG2-CG1 4.26Å; I380-V391 HydrophobicContact CG2-CG1 4.25Å; I380-K392 CarbonylContact C-O 3.52Å; I380-K392 WeakPolarHBondContact CA-O 3.47Å; I380-V393 HydrophobicContact CG1-CG1 4.36Å; I380-V393 HydrophobicContact CG1-CG2 4.44Å; I380-I533 HydrophobicContact CD1-CB 4.41Å; I380-I533 HydrophobicContact CD1-CG2 3.71Å; I380-I533 HydrophobicContact CG1-CG2 4.36Å; I380-E534 HydrophobicContact CD1-CG 3.96Å
381Y88.9Confident80.1Confident26 Ų2655.3 Ų55.310%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-117.6147.6176.5-52.7-109.4000109.7W369 E370 I371 K379 V391 K392 E394W369-Y381 HydrophobicContact CB-CD1 4.26Å; E370-Y381 CarbonylContact O-C 3.52Å; E370-Y381 WeakPolarHBondContact O-CA 3.39Å; I371-Y381 HydrophobicContact CB-CD1 4.45Å; I371-Y381 HydrophobicContact CB-CE1 4.45Å; I371-Y381 HydrophobicContact CD1-CE1 3.95Å; I371-Y381 HydrophobicContact CG1-CD1 3.58Å; I371-Y381 HydrophobicContact CG1-CE1 3.21Å; I371-Y381 HydrophobicContact CG1-CG 4.5Å; K379-Y381 HydrophobicContact CB-CD2 4.39Å; K379-Y381 HydrophobicContact CB-CE2 3.54Å; K379-Y381 VanDerWaalsContact CD-OH 3.3Å; K379-Y381 WeakPolarHBondContact CD-OH 3.36Å; Y381-V391 CarbonylContact O-C 3.59Å; Y381-V391 VanDerWaalsContact O-CA 3.3Å; Y381-V391 WeakPolarHBondContact O-CA 3.35Å; Y381-K392 HydrophobicContact CD2-CB 4.41Å; Y381-K392 HydrophobicContact CD2-CD 4.39Å; Y381-K392 HydrophobicContact CD2-CG 4.25Å; Y381-K392 PolarHBondContact N-O 2.95Å; Y381-K392 PolarHBondContact O-N 3.12Å; Y381-E394 HydrophobicContact CE2-CB 4Å
382T84.8Confident80.8Confident11 Ų1152.6 Ų52.67%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-120.6141170.349.70000109.8E370 T372 S390 V391 I526E370-T382 PolarHBondContact N-O 2.98Å; E370-T382 PolarHBondContact O-N 2.94Å; T372-T382 VanDerWaalsContact OG1-CG2 3.23Å; T372-T382 WeakPolarHBondContact OG1-CG2 3.16Å; T372-T382 PolarHBondContact OG1-N 2.95Å; T372-T382 PolarHBondContact OG1-OG1 3.44Å; T382-S390 CarbonylContact C-O 3.51Å; T382-S390 WeakPolarHBondContact CA-O 3.36Å; T382-V391 HydrophobicContact CG2-CG2 3.77Å; T382-I526 HydrophobicContact CG2-CD1 4.44Å; T382-I526 HydrophobicContact CG2-CG1 4.24Å
383L85.4Confident81.9Confident7 Ų752.3 Ų52.34%0.03726%0.26CS..EExtended strand (participates in β ladder)trans-120.5121.3169.3175.467.4000107.9K366 S367 G368 W369 E385 I389 S390K366-L383 HydrophobicContact CB-CD2 3.66Å; K366-L383 HydrophobicContact CD-CD2 3.57Å; K366-L383 HydrophobicContact CG-CD2 4.19Å; S367-L383 VanDerWaalsContact O-CD1 3.31Å; S367-L383 WeakPolarHBondContact O-CD1 3.38Å; G368-L383 VanDerWaalsContact C-CD1 3.48Å; G368-L383 WeakPolarHBondContact O-CD1 3.49Å; W369-L383 HydrophobicContact CD2-CB 3.81Å; W369-L383 HydrophobicContact CD2-CD2 4.48Å; W369-L383 HydrophobicContact CE3-CB 3.63Å; W369-L383 HydrophobicContact CG-CB 4.5Å; W369-L383 HydrophobicContact CH2-CB 4.05Å; W369-L383 HydrophobicContact CZ2-CB 4.19Å; W369-L383 HydrophobicContact CZ2-CD2 4.05Å; W369-L383 HydrophobicContact CZ3-CB 3.74Å; L383-E385 HydrophobicContact CG-CG 4.33Å; L383-I389 WeakPolarHBondContact O-CA 3.4Å; L383-S390 PolarHBondContact N-O 3.26Å; L383-S390 PolarHBondContact O-N 2.79Å
384E76Confident83Confident44 Ų4452.9 Ų52.921%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-105.5117.2177.8-175.1-175.8177.800109R322 L326R322-E384 IonicContact CZ-OE2 3.72Å; R322-E384 IonicContact NE-OE2 3.46Å; R322-E384 PolarHBondContact NE-OE2 3Å; R322-E384 IonicContact NH2-OE2 3.74Å; R322-E384 PolarHBondContact NH2-OE2 3.43Å; L326-E384 HydrophobicContact CD2-CG 4.09Å
385E75Confident83.9Confident65 Ų6549.4 Ų49.430%0.30424%0.239SC..  trans-107169.6169.3-61.5178.993.200108.6K366 L383 D387 A388K366-E385 IonicContact NZ-OE1 2.73Å; K366-E385 PolarHBondContact NZ-OE1 2.85Å; K366-E385 IonicContact NZ-OE2 2.9Å; K366-E385 PolarHBondContact NZ-OE2 3.36Å; L383-E385 HydrophobicContact CG-CG 4.33Å; E385-D387 PolarHBondContact O-N 3.35Å; E385-D387 VanDerWaalsContact O-N 3.11Å; E385-A388 HydrophobicContact CB-CB 4.49Å; E385-A388 PolarHBondContact N-O 2.82Å; E385-A388 PolarHBondContact O-N 3.2Å
386Q60.8Low84.6Confident163 Ų16348.8 Ų48.876%0.76223%0.234SC*.SBendtrans-49.6-44.7-174.3-70.7-179.2-11.700112.9K329K329-Q386 PolarHBondContact NZ-O 3.14Å
387D64.7Low85.2Confident130 Ų13039.3 Ų39.370%0.69519%0.19SC*.SBendtrans-120.32.4-176-77.1-51.2000115K335 E385K335-D387 IonicContact NZ-OD1 3.93Å; K335-D387 PolarHBondContact NZ-OD1 3.33Å; E385-D387 PolarHBondContact O-N 3.35Å; E385-D387 VanDerWaalsContact O-N 3.11Å
388A70.8Confident85.5Confident21 Ų2137.1 Ų37.117%0.17419%0.193CC..  trans-137.9147-176.300000112E385E385-A388 HydrophobicContact CB-CB 4.49Å; E385-A388 PolarHBondContact N-O 2.82Å; E385-A388 PolarHBondContact O-N 3.2Å
389I78.6Confident85.5Confident15 Ų1536.7 Ų36.78%0.07719%0.19CC..EExtended strand (participates in β ladder)trans-119.1130.3169.6-55.2169.8000106.9L326 L383 M514 I526L326-I389 HydrophobicContact CB-CD1 4.36Å; L326-I389 HydrophobicContact CD2-CD1 3.76Å; L326-I389 HydrophobicContact CD2-CG1 4.32Å; L383-I389 WeakPolarHBondContact O-CA 3.4Å; I389-M514 HydrophobicContact CB-CE 4.13Å; I389-M514 HydrophobicContact CB-SD 4.32Å; I389-M514 HydrophobicContact CG2-CE 3.56Å; I389-M514 HydrophobicContact CG2-SD 4.26Å; I389-M514 VanDerWaalsContact O-CB 3.28Å; I389-M514 WeakPolarHBondContact O-CB 3.42Å; I389-M514 PolarHBondContact O-N 3.03Å; I389-I526 HydrophobicContact CG2-CD1 4.38Å
390S87.3Confident85.7Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-117147.4174.5-53.10000110.3T382 L383 N512T382-S390 CarbonylContact C-O 3.51Å; T382-S390 WeakPolarHBondContact CA-O 3.36Å; L383-S390 PolarHBondContact N-O 3.26Å; L383-S390 PolarHBondContact O-N 2.79Å; S390-N512 CarbonylContact C-O 3.56Å; S390-N512 VanDerWaalsContact CA-O 3.24Å; S390-N512 WeakPolarHBondContact CA-O 3.25Å
391V89.9Confident86Confident0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-120.3140.1174.4156.80000109.8I380 Y381 T382 V393 L511 N512 M514 F522 I526I380-V391 HydrophobicContact CG2-CG1 4.25Å; Y381-V391 CarbonylContact O-C 3.59Å; Y381-V391 VanDerWaalsContact O-CA 3.3Å; Y381-V391 WeakPolarHBondContact O-CA 3.35Å; T382-V391 HydrophobicContact CG2-CG2 3.77Å; V391-V393 HydrophobicContact CG1-CG2 3.72Å; V391-L511 CarbonylContact O-C 3.58Å; V391-L511 WeakPolarHBondContact O-CA 3.12Å; V391-N512 PolarHBondContact N-O 3.33Å; V391-N512 PolarHBondContact O-N 3.26Å; V391-M514 HydrophobicContact CB-CE 3.7Å; V391-M514 HydrophobicContact CG2-CE 3.19Å; V391-F522 HydrophobicContact CB-CD1 4.26Å; V391-F522 HydrophobicContact CB-CE1 4.39Å; V391-F522 HydrophobicContact CG1-CD1 4.32Å; V391-F522 HydrophobicContact CG1-CE1 4.23Å; V391-F522 HydrophobicContact CG2-CD1 4.34Å; V391-I526 HydrophobicContact CG2-CD1 3.95Å; V391-I526 HydrophobicContact CG2-CG1 4.21Å
392K93.5Very high86.2Confident38 Ų3840 Ų4017%0.16521%0.205CC..EExtended strand (participates in β ladder)trans-122.3125.2169.9172.8-178.972.8167.90108.8W369 I380 Y381 A509 Y510 L511W369-K392 HydrophobicContact CD2-CB 4.43Å; W369-K392 HydrophobicContact CE3-CB 3.84Å; W369-K392 HydrophobicContact CH2-CB 3.87Å; W369-K392 HydrophobicContact CZ2-CB 4.47Å; W369-K392 HydrophobicContact CZ3-CB 3.54Å; I380-K392 CarbonylContact C-O 3.52Å; I380-K392 WeakPolarHBondContact CA-O 3.47Å; Y381-K392 HydrophobicContact CD2-CB 4.41Å; Y381-K392 HydrophobicContact CD2-CD 4.39Å; Y381-K392 HydrophobicContact CD2-CG 4.25Å; Y381-K392 PolarHBondContact N-O 2.95Å; Y381-K392 PolarHBondContact O-N 3.12Å; K392-A509 HydrophobicContact CG-CB 4.41Å; K392-Y510 CarbonylContact C-O 3.56Å; K392-Y510 VanDerWaalsContact CA-O 3.3Å; K392-Y510 WeakPolarHBondContact CA-O 3.4Å; K392-L511 HydrophobicContact CB-CD2 4.41Å; K392-L511 HydrophobicContact CB-CG 4.16Å; K392-L511 HydrophobicContact CD-CD2 4.33Å; K392-L511 HydrophobicContact CD-CG 4.42Å; K392-L511 HydrophobicContact CG-CD2 4.42Å; K392-L511 HydrophobicContact CG-CG 4.06Å
393V94.1Very high86.6Confident7 Ų740.9 Ų40.94%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-114.699.6177.8-173.80000108.7I378 I380 V391 K395 A509 Y510 I533 A537I378-V393 HydrophobicContact CG2-CG1 4Å; I380-V393 HydrophobicContact CG1-CG1 4.36Å; I380-V393 HydrophobicContact CG1-CG2 4.44Å; V391-V393 HydrophobicContact CG1-CG2 3.72Å; V393-K395 HydrophobicContact CG1-CG 4.43Å; V393-K395 PolarHBondContact O-NZ 3.08Å; V393-A509 WeakPolarHBondContact O-CA 3.35Å; V393-Y510 PolarHBondContact N-O 2.73Å; V393-Y510 PolarHBondContact O-N 2.93Å; V393-I533 HydrophobicContact CG1-CG2 4.35Å; V393-I533 HydrophobicContact CG2-CG2 3.61Å; V393-A537 HydrophobicContact CG1-CB 3.87Å
394E95.4Very high87Confident35 Ų3540.5 Ų40.516%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-87.3130.6177.4-172.1-179.2104.600110.1I378 K379 Y381 T507I378-E394 CarbonylContact C-O 3.53Å; I378-E394 WeakPolarHBondContact CA-O 3.4Å; K379-E394 HydrophobicContact CB-CB 4.31Å; K379-E394 PolarHBondContact N-O 2.85Å; K379-E394 IonicContact NZ-OE1 3.49Å; K379-E394 PolarHBondContact O-N 3.11Å; Y381-E394 HydrophobicContact CE2-CB 4Å; E394-T507 HydrophobicContact CG-CG2 3.48Å; E394-T507 VanDerWaalsContact CG-CG2 3.48Å
395K95.8Very high88Confident4 Ų439.1 Ų39.12%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-126.1132.8-178-64.2167.9-68.7-60.40109.2K377 V393 V397 T507 V508 A537 C540 I541K377-K395 CarbonylContact O-C 3.59Å; K377-K395 WeakPolarHBondContact O-CA 3.38Å; V393-K395 HydrophobicContact CG1-CG 4.43Å; V393-K395 PolarHBondContact O-NZ 3.08Å; K395-V397 HydrophobicContact CB-CG2 4.21Å; K395-T507 CarbonylContact O-C 3.53Å; K395-T507 WeakPolarHBondContact O-CA 3.4Å; K395-V508 HydrophobicContact CB-CB 4.37Å; K395-V508 WeakPolarHBondContact CB-O 3.48Å; K395-V508 WeakPolarHBondContact CE-O 3.39Å; K395-V508 PolarHBondContact N-O 2.83Å; K395-V508 PolarHBondContact NZ-O 3.28Å; K395-V508 PolarHBondContact O-N 2.72Å; K395-A537 HydrophobicContact CD-CB 3.93Å; K395-A537 HydrophobicContact CG-CB 4.19Å; K395-C540 HydrophobicContact CD-CB 4.27Å; K395-I541 HydrophobicContact CB-CD1 4.1Å; K395-I541 HydrophobicContact CB-CG1 4Å; K395-I541 HydrophobicContact CD-CG1 4.18Å; K395-I541 HydrophobicContact CG-CD1 4.21Å; K395-I541 HydrophobicContact CG-CG1 4.23Å
396Q95.2Very high88.9Confident68 Ų6839.9 Ų39.932%0.31821%0.205SC..EExtended strand (participates in β ladder)trans-90.1122.3168.1-65.5-60.1-35.200109.1K377 T507K377-Q396 HydrophobicContact CB-CB 4.42Å; K377-Q396 PolarHBondContact O-N 2.94Å; Q396-T507 PolarHBondContact NE2-OG1 3.36Å; Q396-T507 PolarHBondContact OE1-OG1 2.88Å
397V94.8Very high90.5Very high3 Ų332.6 Ų32.62%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-125.3127.4-171.8-173.50000110.2K395 S399 S505 C506 V508 I541 I544 E545K395-V397 HydrophobicContact CB-CG2 4.21Å; V397-S399 PolarHBondContact O-N 3.45Å; V397-S505 WeakPolarHBondContact O-CA 3.32Å; V397-C506 PolarHBondContact N-O 2.81Å; V397-C506 PolarHBondContact O-N 2.96Å; V397-V508 HydrophobicContact CB-CG2 4.49Å; V397-V508 HydrophobicContact CG2-CB 4.23Å; V397-V508 HydrophobicContact CG2-CG2 3.76Å; V397-I541 HydrophobicContact CG2-CG1 4.23Å; V397-I544 HydrophobicContact CG1-CB 3.93Å; V397-I544 HydrophobicContact CG1-CD1 4.38Å; V397-I544 HydrophobicContact CG1-CG2 3.65Å; V397-I544 HydrophobicContact CG2-CD1 4.45Å; V397-E545 HydrophobicContact CG1-CG 3.98Å
398G94.6Very high91.9Very high44 Ų4426.7 Ų26.745%0.45414%0.14SC..SBendtrans-77.952.3174.500000113.4S504 E545G398-S504 CarbonylContact C-O 3.56Å; G398-S504 VanDerWaalsContact C-O 3.24Å; G398-E545 PolarHBondContact N-OE1 3.27Å
399S92.6Very high93Very high1 Ų125.9 Ų25.91%0.00713%0.133CC..SBendtrans-144.4149176.5-162.50000110.9V397 S504 S505 C506 T548V397-S399 PolarHBondContact O-N 3.45Å; S399-S504 CarbonylContact C-O 3.24Å; S399-S504 WeakPolarHBondContact CA-O 3.21Å; S399-S504 PolarHBondContact N-O 2.92Å; S399-S505 CarbonylContact O-C 3.14Å; S399-S505 WeakPolarHBondContact O-CA 3.36Å; S399-C506 PolarHBondContact O-N 2.94Å; S399-C506 PolarHBondContact O-SG 3.23Å; S399-T548 WeakPolarHBondContact OG-CG2 3.46Å; S399-T548 PolarHBondContact OG-OG1 3.18Å
400P94Very high93.7Very high31 Ų3127.1 Ų27.120%0.20114%0.139CC..  trans-59.6140.1176-21.631.8000112.3R402 V403 A404 S503P400-R402 HydrophobicContact CB-CG 4.28Å; P400-R402 PolarHBondContact O-N 3.1Å; P400-R402 VanDerWaalsContact O-N 3.07Å; P400-V403 HydrophobicContact CB-CG2 4.32Å; P400-V403 HydrophobicContact CG-CG2 4.39Å; P400-V403 WeakPolarHBondContact O-CB 3.5Å; P400-V403 PolarHBondContact O-N 3.2Å; P400-A404 PolarHBondContact O-N 3.1Å; P400-S503 WeakPolarHBondContact CG-O 3.35Å
401A93.6Very high94Very high6 Ų627.1 Ų27.15%0.0514%0.14CC..Hα-helixtrans-52.1-37.2-177.600000113.7V403 A404 Y405 Y468 I498 P500 C506A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.4Å; A401-A404 PolarHBondContact O-N 3.36Å; A401-Y405 WeakPolarHBondContact O-CB 3.15Å; A401-Y405 PolarHBondContact O-N 2.85Å; A401-Y468 HydrophobicContact CB-CD2 4.11Å; A401-Y468 HydrophobicContact CB-CE2 3.84Å; A401-I498 HydrophobicContact CB-CG2 4.02Å; A401-P500 HydrophobicContact CB-CB 3.97Å; A401-C506 HydrophobicContact CB-CB 3.85Å
402R93Very high94.2Very high147 Ų14730.1 Ų30.156%0.55516%0.158SC*.Hα-helixtrans-61.6-35.5177.269.7179.1-177.4132.2-0.2113.7P400 H406P400-R402 HydrophobicContact CB-CG 4.28Å; P400-R402 PolarHBondContact O-N 3.1Å; P400-R402 VanDerWaalsContact O-N 3.07Å; R402-H406 PolarHBondContact O-N 2.77Å; R402-H406 VanDerWaalsContact O-N 3.1Å
403V93.4Very high94.2Very high29 Ų2930.8 Ų30.818%0.17616%0.161CC..Hα-helixtrans-74.7-47.6-179.7179.30000109.1P400 A401 Y405 H406 L407 T548P400-V403 HydrophobicContact CB-CG2 4.32Å; P400-V403 HydrophobicContact CG-CG2 4.39Å; P400-V403 WeakPolarHBondContact O-CB 3.5Å; P400-V403 PolarHBondContact O-N 3.2Å; A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.4Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 3.43Å; V403-H406 PolarHBondContact O-N 3.17Å; V403-L407 HydrophobicContact CG1-CD1 3.88Å; V403-L407 HydrophobicContact CG1-CG 4.44Å; V403-L407 WeakPolarHBondContact O-CG 3.31Å; V403-L407 PolarHBondContact O-N 3.02Å; V403-T548 HydrophobicContact CG1-CG2 4.42Å
404A94.8Very high94.2Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-56.2-44.217400000111.5P400 A401 L407 L408 I498 V508 I544P400-A404 PolarHBondContact O-N 3.1Å; A401-A404 PolarHBondContact O-N 3.36Å; A404-L407 PolarHBondContact O-N 3.23Å; A404-L408 VanDerWaalsContact O-CB 3.29Å; A404-L408 WeakPolarHBondContact O-CB 3.22Å; A404-L408 VanDerWaalsContact O-CG 3.24Å; A404-L408 WeakPolarHBondContact O-CG 3.43Å; A404-L408 PolarHBondContact O-N 3.29Å; A404-I498 HydrophobicContact CB-CG2 4.07Å; A404-V508 HydrophobicContact CB-CG2 4.25Å; A404-I544 HydrophobicContact CB-CD1 4.4Å; A404-I544 HydrophobicContact CB-CG2 3.97Å
405Y95.3Very high94.1Very high14 Ų1431.4 Ų31.46%0.05517%0.166CC..Hα-helixtrans-57.3-54.6175.3173.5-107.7000111.8A401 V403 L407 L408 S409 Q458 K460 Y468 V470 I498A401-Y405 WeakPolarHBondContact O-CB 3.15Å; A401-Y405 PolarHBondContact O-N 2.85Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 3.43Å; Y405-L407 VanDerWaalsContact C-N 3.29Å; Y405-L407 PolarHBondContact O-N 2.86Å; Y405-L408 PolarHBondContact O-N 2.82Å; Y405-S409 WeakPolarHBondContact CE2-OG 3.31Å; Y405-S409 WeakPolarHBondContact O-CB 3.47Å; Y405-S409 PolarHBondContact O-N 2.92Å; Y405-S409 PolarHBondContact O-OG 2.76Å; Y405-S409 VanDerWaalsContact O-OG 3.06Å; Y405-Q458 HydrophobicContact CE2-CB 4.3Å; Y405-Q458 VanDerWaalsContact OH-CB 3.31Å; Y405-Q458 WeakPolarHBondContact OH-CB 3.48Å; Y405-K460 HydrophobicContact CE1-CG 4.04Å; Y405-Y468 AromaticContact CD1-CD1 3.73Å; Y405-Y468 HydrophobicContact CD1-CD1 3.73Å; Y405-Y468 HydrophobicContact CD1-CE1 4.18Å; Y405-Y468 VanDerWaalsContact CD2-CB 3.49Å; Y405-Y468 AromaticContact CD2-CD1 3.74Å; Y405-Y468 HydrophobicContact CD2-CD1 3.74Å; Y405-Y468 AromaticContact CD2-CG 4Å; Y405-Y468 HydrophobicContact CD2-CG 4Å; Y405-Y468 HydrophobicContact CE1-CD1 4.19Å; Y405-Y468 HydrophobicContact CE2-CD1 4.15Å; Y405-Y468 AromaticContact CG-CD1 3.46Å; Y405-Y468 HydrophobicContact CG-CD1 3.46Å; Y405-Y468 VanDerWaalsContact CG-CD1 3.46Å; Y405-Y468 HydrophobicContact CG-CE1 4.25Å; Y405-Y468 AromaticContact CG-CG 3.97Å; Y405-Y468 HydrophobicContact CG-CG 3.97Å; Y405-V470 HydrophobicContact CD2-CG2 3.88Å; Y405-V470 HydrophobicContact CE2-CG2 3.85Å; Y405-I498 VanDerWaalsContact CA-CD1 3.48Å; Y405-I498 HydrophobicContact CD2-CD1 4.49Å
406H94Very high94Very high81 Ų8137.2 Ų37.238%0.37520%0.197SC..Hα-helixtrans-59.5-39.2-178.5-176.873.1000112.9R402 V403 L556R402-H406 PolarHBondContact O-N 2.77Å; R402-H406 VanDerWaalsContact O-N 3.1Å; V403-H406 PolarHBondContact O-N 3.17Å; H406-L556 HydrophobicContact CB-CD1 4.11Å
407L95.1Very high93.9Very high11 Ų1134.9 Ų34.96%0.05819%0.185CC..Hα-helixtrans-71.3-41.3179.2-69.8172.3000113V403 A404 Y405 K413 F543 I544 A547V403-L407 HydrophobicContact CG1-CD1 3.88Å; V403-L407 HydrophobicContact CG1-CG 4.44Å; V403-L407 WeakPolarHBondContact O-CG 3.31Å; V403-L407 PolarHBondContact O-N 3.02Å; A404-L407 PolarHBondContact O-N 3.23Å; Y405-L407 VanDerWaalsContact C-N 3.29Å; Y405-L407 PolarHBondContact O-N 2.86Å; L407-K413 HydrophobicContact CD2-CD 4.36Å; L407-F543 HydrophobicContact CB-CE1 4.02Å; L407-F543 HydrophobicContact CD2-CE1 4.34Å; L407-F543 HydrophobicContact CD2-CZ 4.24Å; L407-I544 HydrophobicContact CD1-CG2 4.32Å; L407-A547 HydrophobicContact CD1-CB 3.53Å; L407-A547 HydrophobicContact CD2-CB 4.25Å
408L94.9Very high93.7Very high5 Ų535.2 Ų35.23%0.02619%0.187CC..Hα-helixtrans-83.1-21.3-176.9-65.4176.5000113.4A404 Y405 D410 F411 W417 F496 I498 V508 I544A404-L408 VanDerWaalsContact O-CB 3.29Å; A404-L408 WeakPolarHBondContact O-CB 3.22Å; A404-L408 VanDerWaalsContact O-CG 3.24Å; A404-L408 WeakPolarHBondContact O-CG 3.43Å; A404-L408 PolarHBondContact O-N 3.29Å; Y405-L408 PolarHBondContact O-N 2.82Å; L408-D410 VanDerWaalsContact C-N 3.32Å; L408-F411 WeakPolarHBondContact O-CE2 3.46Å; L408-W417 HydrophobicContact CD2-CZ2 4.01Å; L408-F496 HydrophobicContact CB-CD2 4.35Å; L408-F496 HydrophobicContact CB-CG 4.48Å; L408-F496 HydrophobicContact CD1-CD1 4.06Å; L408-F496 HydrophobicContact CD1-CE1 4.43Å; L408-F496 HydrophobicContact CD1-CG 4.31Å; L408-F496 HydrophobicContact CD2-CE1 4.38Å; L408-F496 HydrophobicContact CD2-CZ 4.4Å; L408-I498 HydrophobicContact CB-CD1 4.42Å; L408-I498 HydrophobicContact CD1-CD1 3.9Å; L408-I498 HydrophobicContact CD1-CG1 4.43Å; L408-V508 HydrophobicContact CD1-CG1 3.54Å; L408-V508 HydrophobicContact CD1-CG2 4.33Å; L408-I544 HydrophobicContact CD1-CD1 3.92Å; L408-I544 HydrophobicContact CD2-CD1 4.21Å; L408-I544 HydrophobicContact CG-CD1 4.16Å
409S93.4Very high93.2Very high4 Ų437 Ų373%0.02819%0.19CC..Hα-helixtrans-66.5-31.9170.9-85.80000113.2Y405 F411 Q458 V470Y405-S409 WeakPolarHBondContact CE2-OG 3.31Å; Y405-S409 WeakPolarHBondContact O-CB 3.47Å; Y405-S409 PolarHBondContact O-N 2.92Å; Y405-S409 PolarHBondContact O-OG 2.76Å; Y405-S409 VanDerWaalsContact O-OG 3.06Å; S409-F411 PolarHBondContact O-N 2.87Å; S409-Q458 PolarHBondContact O-NE2 2.99Å; S409-Q458 VanDerWaalsContact O-NE2 3.09Å; S409-Q458 VanDerWaalsContact OG-CD 3.23Å; S409-Q458 PolarHBondContact OG-OE1 2.88Å; S409-V470 WeakPolarHBondContact OG-CG2 3.33Å
410D93.1Very high92.7Very high41 Ų4138.2 Ų38.222%0.21920%0.196CC..  trans-89.793.5-178.5-178.11.4000110.8L408 T412 K413L408-D410 VanDerWaalsContact C-N 3.32Å; D410-T412 PolarHBondContact O-N 2.72Å; D410-T412 WeakPolarHBondContact OD1-CB 3.38Å; D410-T412 PolarHBondContact OD1-N 3.11Å; D410-T412 PolarHBondContact OD1-OG1 2.86Å; D410-T412 PolarHBondContact OD2-OG1 3.13Å; D410-K413 HydrophobicContact CB-CD 4.14Å; D410-K413 HydrophobicContact CB-CG 4.43Å; D410-K413 WeakPolarHBondContact O-CB 3.49Å; D410-K413 PolarHBondContact O-N 3.16Å; D410-K413 VanDerWaalsContact O-N 3.07Å; D410-K413 WeakPolarHBondContact OD2-CD 3.42Å; D410-K413 WeakPolarHBondContact OD2-CE 3.27Å; D410-K413 IonicContact OD2-NZ 3.88Å; D410-K413 PolarHBondContact OD2-NZ 2.93Å
411F93.4Very high92.5Very high1 Ų138 Ų380%0.00419%0.191CC..G310 helixtrans-67.9-16.5-175.9-86.4-130.1000113.1L408 S409 K413 R414 C424 Y437 I439 V456 V470 L472 F496L408-F411 WeakPolarHBondContact O-CE2 3.46Å; S409-F411 PolarHBondContact O-N 2.87Å; F411-K413 PolarHBondContact O-N 2.82Å; F411-R414 WeakPolarHBondContact O-CB 3.43Å; F411-R414 PolarHBondContact O-N 2.83Å; F411-C424 WeakPolarHBondContact O-CB 3.4Å; F411-C424 PolarHBondContact O-SG 2.98Å; F411-C424 VanDerWaalsContact O-SG 3.4Å; F411-Y437 HydrophobicContact CB-CD1 3.96Å; F411-Y437 HydrophobicContact CB-CD2 4.17Å; F411-Y437 HydrophobicContact CB-CE1 3.77Å; F411-Y437 HydrophobicContact CB-CE2 3.97Å; F411-Y437 HydrophobicContact CB-CG 4.13Å; F411-Y437 HydrophobicContact CG-CE2 4.42Å; F411-I439 HydrophobicContact CD1-CD1 4.36Å; F411-V456 HydrophobicContact CD1-CG2 3.95Å; F411-V456 HydrophobicContact CD2-CG1 4.06Å; F411-V456 HydrophobicContact CD2-CG2 4.04Å; F411-V456 HydrophobicContact CE1-CG2 3.89Å; F411-V456 HydrophobicContact CE2-CG1 3.8Å; F411-V456 HydrophobicContact CE2-CG2 3.99Å; F411-V456 HydrophobicContact CG-CG2 4.03Å; F411-V456 HydrophobicContact CZ-CG1 4.33Å; F411-V456 HydrophobicContact CZ-CG2 3.92Å; F411-V470 HydrophobicContact CE2-CG1 3.8Å; F411-V470 HydrophobicContact CZ-CG1 4.47Å; F411-L472 HydrophobicContact CE1-CD1 4.32Å; F411-L472 HydrophobicContact CE1-CD2 4.32Å; F411-L472 HydrophobicContact CZ-CB 4.47Å; F411-L472 HydrophobicContact CZ-CD2 3.94Å; F411-F496 HydrophobicContact CE2-CE2 4.36Å; F411-F496 HydrophobicContact CZ-CE2 4.2Å
412T94.1Very high92.4Very high62 Ų6242.7 Ų42.738%0.3822%0.215SC..G310 helixtrans-63.7-23.8172.973.10000112.2D410 P415 V426 Y437D410-T412 PolarHBondContact O-N 2.72Å; D410-T412 WeakPolarHBondContact OD1-CB 3.38Å; D410-T412 PolarHBondContact OD1-N 3.11Å; D410-T412 PolarHBondContact OD1-OG1 2.86Å; D410-T412 PolarHBondContact OD2-OG1 3.13Å; T412-P415 WeakPolarHBondContact O-CD 3.26Å; T412-V426 HydrophobicContact CG2-CG2 3.94Å; T412-Y437 HydrophobicContact CG2-CE1 3.9Å
413K94Very high92.4Very high53 Ų5337.2 Ų37.223%0.2320%0.199CC..G310 helixtrans-84.8-9.6175.7-66.1175.8178.8128.30113.4L407 D410 F411 L416 F543L407-K413 HydrophobicContact CD2-CD 4.36Å; D410-K413 HydrophobicContact CB-CD 4.14Å; D410-K413 HydrophobicContact CB-CG 4.43Å; D410-K413 WeakPolarHBondContact O-CB 3.49Å; D410-K413 PolarHBondContact O-N 3.16Å; D410-K413 VanDerWaalsContact O-N 3.07Å; D410-K413 WeakPolarHBondContact OD2-CD 3.42Å; D410-K413 WeakPolarHBondContact OD2-CE 3.27Å; D410-K413 IonicContact OD2-NZ 3.88Å; D410-K413 PolarHBondContact OD2-NZ 2.93Å; F411-K413 PolarHBondContact O-N 2.82Å; K413-L416 HydrophobicContact CB-CD1 4.1Å; K413-L416 HydrophobicContact CG-CD1 4.27Å; K413-L416 WeakPolarHBondContact O-CB 3.43Å; K413-L416 WeakPolarHBondContact O-CG 3.39Å; K413-L416 PolarHBondContact O-N 2.79Å; K413-L416 VanDerWaalsContact O-N 3.08Å; K413-F543 HydrophobicContact CB-CZ 3.98Å; K413-F543 HydrophobicContact CD-CZ 4.31Å
414R93.6Very high92.4Very high12 Ų1236.5 Ų36.55%0.04520%0.195CC..G310 helixtrans-60.8-40.9-176.4-170.4160.1179.3172.3-1.8114.4F411 L416 W417 D418 Y421F411-R414 WeakPolarHBondContact O-CB 3.43Å; F411-R414 PolarHBondContact O-N 2.83Å; R414-L416 PolarHBondContact O-N 3.04Å; R414-L416 VanDerWaalsContact O-N 3.08Å; R414-W417 HydrophobicContact CG-CH2 4.47Å; R414-W417 HydrophobicContact CG-CZ2 3.88Å; R414-W417 PolarHBondContact O-N 3.3Å; R414-W417 VanDerWaalsContact O-N 3.15Å; R414-D418 HydrophobicContact CG-CB 3.82Å; R414-D418 IonicContact CZ-OD2 3.22Å; R414-D418 IonicContact NE-OD2 3.3Å; R414-D418 PolarHBondContact NE-OD2 3.33Å; R414-D418 VanDerWaalsContact NE-OD2 3.09Å; R414-D418 IonicContact NH2-OD2 2.85Å; R414-D418 PolarHBondContact NH2-OD2 2.93Å; R414-D418 VanDerWaalsContact NH2-OD2 3.1Å; R414-D418 WeakPolarHBondContact O-CB 3.37Å; R414-D418 PolarHBondContact O-N 2.66Å; R414-Y421 HydrophobicContact CB-CD1 4.17Å; R414-Y421 VanDerWaalsContact CD-CE1 3.48Å; R414-Y421 HydrophobicContact CG-CD1 3.83Å; R414-Y421 HydrophobicContact CG-CD2 4.14Å; R414-Y421 HydrophobicContact CG-CE1 4.07Å; R414-Y421 HydrophobicContact CG-CE2 4.39Å; R414-Y421 HydrophobicContact CG-CG 3.89Å; R414-Y421 VanDerWaalsContact CZ-CE2 3.49Å; R414-Y421 PolarHBondContact NH1-OH 3.42Å
415P93.7Very high92.4Very high42 Ų4241.9 Ų41.927%0.27322%0.22SC..G310 helixtrans-58.5-19.1173.9-24.234000114.7T412 W417 C424T412-P415 WeakPolarHBondContact O-CD 3.26Å; P415-W417 PolarHBondContact O-N 2.93Å; P415-C424 HydrophobicContact CG-CB 4.28Å
416L93.3Very high92.4Very high126 Ų12644.4 Ų44.466%0.6624%0.237SC*.G310 helixtrans-70.7-19.8179.4-56.6176.7000113K413 R414 F543K413-L416 HydrophobicContact CB-CD1 4.1Å; K413-L416 HydrophobicContact CG-CD1 4.27Å; K413-L416 WeakPolarHBondContact O-CB 3.43Å; K413-L416 WeakPolarHBondContact O-CG 3.39Å; K413-L416 PolarHBondContact O-N 2.79Å; K413-L416 VanDerWaalsContact O-N 3.08Å; R414-L416 PolarHBondContact O-N 3.04Å; R414-L416 VanDerWaalsContact O-N 3.08Å; L416-F543 HydrophobicContact CB-CD2 4.47Å; L416-F543 HydrophobicContact CB-CE2 4.14Å; L416-F543 HydrophobicContact CD1-CE2 4.03Å
417W92.9Very high92.3Very high20 Ų2043.8 Ų43.88%0.07624%0.235CC..THydrogen-bonded Turntrans-135.7-25.3-175.465.5-97.9000114.1L408 R414 P415 P419 F496 S539 C540 F543L408-W417 HydrophobicContact CD2-CZ2 4.01Å; R414-W417 HydrophobicContact CG-CH2 4.47Å; R414-W417 HydrophobicContact CG-CZ2 3.88Å; R414-W417 PolarHBondContact O-N 3.3Å; R414-W417 VanDerWaalsContact O-N 3.15Å; P415-W417 PolarHBondContact O-N 2.93Å; W417-P419 WeakPolarHBondContact O-CD 3.31Å; W417-F496 HydrophobicContact CH2-CZ 4.15Å; W417-F496 HydrophobicContact CZ2-CZ 4.22Å; W417-S539 WeakPolarHBondContact O-CB 3.38Å; W417-S539 PolarHBondContact O-OG 2.91Å; W417-C540 HydrophobicContact CD2-CB 4.1Å; W417-C540 HydrophobicContact CE3-CB 3.49Å; W417-C540 VanDerWaalsContact CE3-CB 3.49Å; W417-C540 HydrophobicContact CH2-CB 4.21Å; W417-C540 HydrophobicContact CZ3-CB 3.57Å; W417-F543 HydrophobicContact CB-CB 3.67Å; W417-F543 HydrophobicContact CB-CD1 4.44Å; W417-F543 HydrophobicContact CB-CD2 4.32Å; W417-F543 HydrophobicContact CB-CG 3.9Å; W417-F543 AromaticContact CD1-CD1 3.37Å; W417-F543 AromaticContact CD1-CE1 3.64Å; W417-F543 AromaticContact CD1-CG 3.64Å; W417-F543 HydrophobicContact CG-CB 4.07Å; W417-F543 HydrophobicContact CG-CD1 4Å; W417-F543 AromaticContact CG-CG 3.97Å; W417-F543 HydrophobicContact CG-CG 3.97Å; W417-F543 AromaticContact NE1-CD1 3.89Å; W417-F543 AromaticContact NE1-CE1 3.97Å
418D90.5Very high92Very high9 Ų946.2 Ų46.25%0.04825%0.248CC..  trans-96.7104.3178.5-166.1-16.9000109.7R414 H420 Y421R414-D418 HydrophobicContact CG-CB 3.82Å; R414-D418 IonicContact CZ-OD2 3.22Å; R414-D418 IonicContact NE-OD2 3.3Å; R414-D418 PolarHBondContact NE-OD2 3.33Å; R414-D418 VanDerWaalsContact NE-OD2 3.09Å; R414-D418 IonicContact NH2-OD2 2.85Å; R414-D418 PolarHBondContact NH2-OD2 2.93Å; R414-D418 VanDerWaalsContact NH2-OD2 3.1Å; R414-D418 WeakPolarHBondContact O-CB 3.37Å; R414-D418 PolarHBondContact O-N 2.66Å; D418-H420 PolarHBondContact O-N 3.4Å; D418-H420 WeakPolarHBondContact OD1-CB 3.32Å; D418-H420 IonicContact OD1-CG 3.5Å; D418-H420 PolarHBondContact OD1-N 3.49Å; D418-H420 IonicContact OD1-ND1 3.43Å; D418-H420 PolarHBondContact OD1-ND1 3.17Å; D418-Y421 HydrophobicContact CB-CD2 4.02Å; D418-Y421 PolarHBondContact O-N 2.86Å; D418-Y421 WeakPolarHBondContact OD2-CD2 3.44Å; D418-Y421 WeakPolarHBondContact OD2-CE2 3.47Å
419P84.5Confident91.8Very high82 Ų8252 Ų5253%0.53228%0.275SS..THydrogen-bonded Turntrans-65.2-8.2-174.225.9-33.6000114W417W417-P419 WeakPolarHBondContact O-CD 3.31Å
420H82.9Confident91.6Very high27 Ų2752.4 Ų52.413%0.12528%0.278CS..THydrogen-bonded Turntrans-82.3-24.5178.2-56.376.9000112D418 C441 S442 Y521D418-H420 PolarHBondContact O-N 3.4Å; D418-H420 WeakPolarHBondContact OD1-CB 3.32Å; D418-H420 IonicContact OD1-CG 3.5Å; D418-H420 PolarHBondContact OD1-N 3.49Å; D418-H420 IonicContact OD1-ND1 3.43Å; D418-H420 PolarHBondContact OD1-ND1 3.17Å; H420-C441 CarbonylContact O-C 3.54Å; H420-C441 WeakPolarHBondContact O-CA 3.47Å; H420-C441 VanDerWaalsContact O-CB 3.28Å; H420-C441 WeakPolarHBondContact O-CB 3.31Å; H420-S442 PolarHBondContact O-N 3.34Å; H420-Y521 AromaticContact CD2-CD2 3.66Å; H420-Y521 AromaticContact CD2-CE2 3.03Å; H420-Y521 WeakPolarHBondContact CD2-CE2 3.44Å; H420-Y521 AromaticContact CD2-CZ 3.52Å; H420-Y521 AromaticContact CE1-CE2 3.59Å; H420-Y521 AromaticContact CE1-CZ 3.61Å; H420-Y521 PolarHBondContact CE1-OH 3.22Å; H420-Y521 AromaticContact CG-CE2 3.76Å; H420-Y521 AromaticContact CG-CZ 3.75Å; H420-Y521 AromaticContact ND1-CZ 3.78Å; H420-Y521 PolarHBondContact ND1-OH 2.92Å; H420-Y521 AromaticContact NE2-CD2 3.91Å; H420-Y521 AromaticContact NE2-CE2 2.95Å; H420-Y521 WeakPolarHBondContact NE2-CE2 3.45Å; H420-Y521 AromaticContact NE2-CZ 3.47Å; H420-Y521 PolarHBondContact NE2-OH 2.88Å
421Y89.2Confident91.4Very high27 Ų2752.5 Ų52.511%0.10628%0.281CS..EExtended strand (participates in β ladder)trans-90.1115.1-177.3-80.8-117.4000109.1R414 D418 I439R414-Y421 HydrophobicContact CB-CD1 4.17Å; R414-Y421 VanDerWaalsContact CD-CE1 3.48Å; R414-Y421 HydrophobicContact CG-CD1 3.83Å; R414-Y421 HydrophobicContact CG-CD2 4.14Å; R414-Y421 HydrophobicContact CG-CE1 4.07Å; R414-Y421 HydrophobicContact CG-CE2 4.39Å; R414-Y421 HydrophobicContact CG-CG 3.89Å; R414-Y421 VanDerWaalsContact CZ-CE2 3.49Å; R414-Y421 PolarHBondContact NH1-OH 3.42Å; D418-Y421 HydrophobicContact CB-CD2 4.02Å; D418-Y421 PolarHBondContact O-N 2.86Å; D418-Y421 WeakPolarHBondContact OD2-CD2 3.44Å; D418-Y421 WeakPolarHBondContact OD2-CE2 3.47Å; Y421-I439 HydrophobicContact CD1-CG1 4.48Å; Y421-I439 HydrophobicContact CD1-CG2 3.48Å; Y421-I439 VanDerWaalsContact CD1-CG2 3.48Å; Y421-I439 HydrophobicContact CE1-CB 4.27Å; Y421-I439 HydrophobicContact CE1-CD1 3.74Å; Y421-I439 HydrophobicContact CE1-CG1 3.95Å; Y421-I439 HydrophobicContact CE1-CG2 3.3Å; Y421-I439 HydrophobicContact CG-CG2 4.34Å
422I90.7Very high91.2Very high104 Ų10459.9 Ų59.953%0.53332%0.316SS..EExtended strand (participates in β ladder)trans-81.4-50.5174.5-66.9175.2000109.5T440I422-T440 PolarHBondContact N-O 3.12Å
423S93.2Very high91.1Very high32 Ų3259.5 Ų59.522%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-144154.1177.474.10000111.6I439 T440S423-I439 WeakPolarHBondContact O-CA 3.37Å; S423-T440 PolarHBondContact N-O 2.88Å; S423-T440 PolarHBondContact N-OG1 3.22Å; S423-T440 PolarHBondContact O-N 3.16Å; S423-T440 PolarHBondContact OG-OG1 3.32Å
424C94.1Very high91.1Very high13 Ų1357.5 Ų57.59%0.08830%0.303CS..EExtended strand (participates in β ladder)trans-142.6118.8171.2-171.90000109.6F411 P415 Y437 Y438 I439F411-C424 WeakPolarHBondContact O-CB 3.4Å; F411-C424 PolarHBondContact O-SG 2.98Å; F411-C424 VanDerWaalsContact O-SG 3.4Å; P415-C424 HydrophobicContact CG-CB 4.28Å; C424-Y437 WeakPolarHBondContact SG-CD1 3.22Å; C424-Y438 WeakPolarHBondContact CA-O 3.39Å; C424-I439 HydrophobicContact CB-CG1 4.37Å
425E94.5Very high91.1Very high114 Ų11458.6 Ų58.653%0.53331%0.309SS..EExtended strand (participates in β ladder)trans-122.7138.6-174.4-65.1176.3-175.400110I427 Y437 Y438E425-I427 PolarHBondContact O-N 3.14Å; E425-Y437 CarbonylContact O-C 3.42Å; E425-Y437 VanDerWaalsContact O-CA 3.23Å; E425-Y437 WeakPolarHBondContact O-CA 3.38Å; E425-Y438 PolarHBondContact N-O 3.38Å; E425-Y438 PolarHBondContact O-N 2.91Å
426V94.6Very high91.2Very high67 Ų6756.6 Ų56.641%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-77.2121.9174.4-177.70000108.5T412 Y437T412-V426 HydrophobicContact CG2-CG2 3.94Å; V426-Y437 HydrophobicContact CG2-CD1 3.9Å; V426-Y437 HydrophobicContact CG2-CE1 3.44Å; V426-Y437 VanDerWaalsContact CG2-CE1 3.44Å
427I91.9Very high91.3Very high67 Ų6750.7 Ų50.734%0.34427%0.265SS..EExtended strand (participates in β ladder)trans-91.3-43176.1-63.5-62.5000110.9E425 I436 L477 V480E425-I427 PolarHBondContact O-N 3.14Å; I427-I436 HydrophobicContact CB-CG2 4.35Å; I427-I436 PolarHBondContact N-O 3.22Å; I427-L477 HydrophobicContact CG2-CD1 3.91Å; I427-V480 HydrophobicContact CD1-CG2 4.4Å; I427-V480 HydrophobicContact CG2-CG2 4.02Å
428D90.1Very high91.4Very high62 Ų6251.4 Ų51.433%0.33227%0.268SS..EExtended strand (participates in β ladder)trans-150.1140.1-177-167.112000111Q435 I436D428-Q435 WeakPolarHBondContact O-CA 3.43Å; D428-I436 HydrophobicContact CB-CB 4.31Å; D428-I436 HydrophobicContact CB-CD1 4.37Å; D428-I436 PolarHBondContact N-O 3.07Å; D428-I436 PolarHBondContact O-N 3.05Å
429Q90.4Very high91.6Very high128 Ų12851 Ų5160%0.59827%0.266SS*.EExtended strand (participates in β ladder)trans-101.694.4172.6-174.4171.910.100108.5S431 Q435Q429-S431 WeakPolarHBondContact CG-O 3.47Å; Q429-Q435 HydrophobicContact CG-CG 4.34Å
430V88.5Confident92Very high12 Ų1247.3 Ų47.37%0.07324%0.242CC..  trans-71.2-38.5-172.1179.50000111.7W344 K349 D434 I436 L455W344-V430 HydrophobicContact CH2-CB 4.48Å; W344-V430 HydrophobicContact CH2-CG1 3.81Å; W344-V430 HydrophobicContact CH2-CG2 3.85Å; W344-V430 HydrophobicContact CZ2-CB 4.36Å; W344-V430 HydrophobicContact CZ2-CG1 3.81Å; W344-V430 HydrophobicContact CZ2-CG2 3.55Å; K349-V430 HydrophobicContact CB-CG1 3.77Å; K349-V430 HydrophobicContact CD-CG1 3.78Å; K349-V430 HydrophobicContact CG-CG1 4.23Å; K349-V430 PolarHBondContact NZ-O 3.19Å; K349-V430 VanDerWaalsContact NZ-O 3.1Å; V430-D434 HydrophobicContact CB-CB 4.05Å; V430-D434 WeakPolarHBondContact CB-O 3.31Å; V430-D434 HydrophobicContact CG1-CB 4.33Å; V430-D434 PolarHBondContact N-O 3.38Å; V430-I436 HydrophobicContact CG2-CD1 3.9Å; V430-I436 HydrophobicContact CG2-CG1 3.82Å; V430-L455 HydrophobicContact CG2-CD1 4.37Å
431S89.4Confident92.2Very high42 Ų4246.7 Ų46.729%0.29424%0.24SC..SBendtrans-155.4-175.2176.178.10000110.2Q429 D433 D434Q429-S431 WeakPolarHBondContact CG-O 3.47Å; S431-D433 PolarHBondContact O-N 3.32Å; S431-D433 PolarHBondContact OG-N 3.5Å; S431-D433 VanDerWaalsContact OG-N 3.16Å; S431-D434 PolarHBondContact N-O 2.89Å; S431-D434 WeakPolarHBondContact OG-CB 3.31Å; S431-D434 PolarHBondContact OG-N 3.01Å; S431-D434 PolarHBondContact OG-OD2 3.02Å
432E88.8Confident91.9Very high157 Ų15747.2 Ų47.273%0.73425%0.248SC*.SBendtrans-61.6-34.6171.1-170.9179.6167.200111.8
433D92.4Very high91.1Very high53 Ų5345.8 Ų45.828%0.28324%0.244SC..SBendtrans-106.4-5.6-172.6-72-45.1000113.7S431 Q458S431-D433 PolarHBondContact O-N 3.32Å; S431-D433 PolarHBondContact OG-N 3.5Å; S431-D433 VanDerWaalsContact OG-N 3.16Å; D433-Q458 WeakPolarHBondContact CB-O 3.48Å; D433-Q458 PolarHBondContact O-N 3.03Å
434D93.9Very high89.5Confident12 Ų1246 Ų466%0.06424%0.244CC..EExtended strand (participates in β ladder)trans-130.2126.5-175.4-52.9-70.4000111.2S353 V430 S431 L455 V456 S457 R459S353-D434 WeakPolarHBondContact CB-OD1 3.16Å; S353-D434 PolarHBondContact OG-OD1 3.2Å; S353-D434 PolarHBondContact OG-OD2 2.94Å; V430-D434 HydrophobicContact CB-CB 4.05Å; V430-D434 WeakPolarHBondContact CB-O 3.31Å; V430-D434 HydrophobicContact CG1-CB 4.33Å; V430-D434 PolarHBondContact N-O 3.38Å; S431-D434 PolarHBondContact N-O 2.89Å; S431-D434 WeakPolarHBondContact OG-CB 3.31Å; S431-D434 PolarHBondContact OG-N 3.01Å; S431-D434 PolarHBondContact OG-OD2 3.02Å; D434-L455 HydrophobicContact CB-CD1 4.41Å; D434-V456 WeakPolarHBondContact CA-O 3.36Å; D434-S457 VanDerWaalsContact OD1-CA 3.28Å; D434-S457 WeakPolarHBondContact OD1-CA 3.27Å; D434-S457 WeakPolarHBondContact OD1-CB 3.5Å; D434-S457 PolarHBondContact OD1-OG 2.66Å; D434-R459 IonicContact OD1-CZ 3.48Å; D434-R459 IonicContact OD1-NH1 2.76Å; D434-R459 PolarHBondContact OD1-NH1 2.71Å; D434-R459 IonicContact OD1-NH2 2.75Å; D434-R459 PolarHBondContact OD1-NH2 3.45Å; D434-R459 IonicContact OD2-NH1 2.89Å; D434-R459 IonicContact OD2-NH2 2.68Å
435Q94.6Very high87.7Confident35 Ų3552.1 Ų52.116%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-136.7148.4-179.8-63.5-174.64.500110.7D428 Q429 Y437 V456D428-Q435 WeakPolarHBondContact O-CA 3.43Å; Q429-Q435 HydrophobicContact CG-CG 4.34Å; Q435-Y437 HydrophobicContact CB-CD2 4.3Å; Q435-Y437 HydrophobicContact CB-CE2 3.65Å; Q435-Y437 VanDerWaalsContact OE1-CZ 3.31Å; Q435-Y437 PolarHBondContact OE1-OH 3.48Å; Q435-V456 PolarHBondContact N-O 2.78Å; Q435-V456 PolarHBondContact O-N 3.4Å
436I94.2Very high85.9Confident0 Ų048.5 Ų48.50%027%0.269CS..EExtended strand (participates in β ladder)trans-104.4129.6172-58.9173.3000108.9W344 I427 D428 V430 V453 V454 L455 V475 L477W344-I436 HydrophobicContact CD2-CD1 3.79Å; W344-I436 HydrophobicContact CE3-CD1 4.24Å; W344-I436 HydrophobicContact CG-CD1 4.28Å; W344-I436 HydrophobicContact CH2-CD1 4.2Å; W344-I436 HydrophobicContact CZ2-CD1 3.74Å; W344-I436 HydrophobicContact CZ3-CD1 4.44Å; I427-I436 HydrophobicContact CB-CG2 4.35Å; I427-I436 PolarHBondContact N-O 3.22Å; D428-I436 HydrophobicContact CB-CB 4.31Å; D428-I436 HydrophobicContact CB-CD1 4.37Å; D428-I436 PolarHBondContact N-O 3.07Å; D428-I436 PolarHBondContact O-N 3.05Å; V430-I436 HydrophobicContact CG2-CD1 3.9Å; V430-I436 HydrophobicContact CG2-CG1 3.82Å; I436-V453 HydrophobicContact CG2-CG1 3.85Å; I436-V454 CarbonylContact C-O 3.58Å; I436-V454 VanDerWaalsContact CA-O 3.3Å; I436-V454 WeakPolarHBondContact CA-O 3.29Å; I436-L455 HydrophobicContact CG1-CD1 3.94Å; I436-V475 HydrophobicContact CD1-CG2 4.46Å; I436-V475 HydrophobicContact CG2-CG2 4.27Å; I436-L477 HydrophobicContact CD1-CD1 4.13Å; I436-L477 HydrophobicContact CD1-CD2 4.33Å; I436-L477 HydrophobicContact CG2-CD1 3.7Å
437Y95.7Very high84.4Confident2 Ų253.4 Ų53.41%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-115145.3178.8-64.9-93000111.5F411 T412 C424 E425 V426 Q435 V453 V454 V456F411-Y437 HydrophobicContact CB-CD1 3.96Å; F411-Y437 HydrophobicContact CB-CD2 4.17Å; F411-Y437 HydrophobicContact CB-CE1 3.77Å; F411-Y437 HydrophobicContact CB-CE2 3.97Å; F411-Y437 HydrophobicContact CB-CG 4.13Å; F411-Y437 HydrophobicContact CG-CE2 4.42Å; T412-Y437 HydrophobicContact CG2-CE1 3.9Å; C424-Y437 WeakPolarHBondContact SG-CD1 3.22Å; E425-Y437 CarbonylContact O-C 3.42Å; E425-Y437 VanDerWaalsContact O-CA 3.23Å; E425-Y437 WeakPolarHBondContact O-CA 3.38Å; V426-Y437 HydrophobicContact CG2-CD1 3.9Å; V426-Y437 HydrophobicContact CG2-CE1 3.44Å; V426-Y437 VanDerWaalsContact CG2-CE1 3.44Å; Q435-Y437 HydrophobicContact CB-CD2 4.3Å; Q435-Y437 HydrophobicContact CB-CE2 3.65Å; Q435-Y437 VanDerWaalsContact OE1-CZ 3.31Å; Q435-Y437 PolarHBondContact OE1-OH 3.48Å; Y437-V453 WeakPolarHBondContact O-CA 3.48Å; Y437-V454 PolarHBondContact N-O 2.81Å; Y437-V454 PolarHBondContact O-N 3.39Å; Y437-V456 HydrophobicContact CD2-CB 4.01Å; Y437-V456 HydrophobicContact CD2-CG2 3.52Å; Y437-V456 HydrophobicContact CE2-CB 3.8Å; Y437-V456 HydrophobicContact CE2-CG1 4.44Å; Y437-V456 HydrophobicContact CE2-CG2 3.71Å
438Y95.6Very high83.7Confident34 Ų3455.1 Ų55.113%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-98.5125.4160.5-175.5-111.9000108.8C424 E425 T440 D451 F452 V453 V480C424-Y438 WeakPolarHBondContact CA-O 3.39Å; E425-Y438 PolarHBondContact N-O 3.38Å; E425-Y438 PolarHBondContact O-N 2.91Å; Y438-T440 HydrophobicContact CD1-CG2 4.28Å; Y438-T440 HydrophobicContact CE1-CG2 3.6Å; Y438-D451 HydrophobicContact CE2-CB 3.85Å; Y438-D451 WeakPolarHBondContact CE2-OD2 3.39Å; Y438-D451 VanDerWaalsContact OH-CB 3.3Å; Y438-D451 WeakPolarHBondContact OH-CB 3.33Å; Y438-D451 PolarHBondContact OH-OD2 3.1Å; Y438-F452 WeakPolarHBondContact CA-O 3.37Å; Y438-F452 WeakPolarHBondContact CD2-O 3.21Å; Y438-V453 HydrophobicContact CD2-CG2 3.99Å; Y438-V453 HydrophobicContact CE2-CG2 4.47Å; Y438-V480 HydrophobicContact CD2-CG1 3.89Å; Y438-V480 HydrophobicContact CE2-CG1 4.07Å
439I94.3Very high83.5Confident1 Ų153.8 Ų53.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-120.9133.8-176.6-64.4159.5000108.3F411 Y421 S423 C424 D451 F452 V454F411-I439 HydrophobicContact CD1-CD1 4.36Å; Y421-I439 HydrophobicContact CD1-CG1 4.48Å; Y421-I439 HydrophobicContact CD1-CG2 3.48Å; Y421-I439 VanDerWaalsContact CD1-CG2 3.48Å; Y421-I439 HydrophobicContact CE1-CB 4.27Å; Y421-I439 HydrophobicContact CE1-CD1 3.74Å; Y421-I439 HydrophobicContact CE1-CG1 3.95Å; Y421-I439 HydrophobicContact CE1-CG2 3.3Å; Y421-I439 HydrophobicContact CG-CG2 4.34Å; S423-I439 WeakPolarHBondContact O-CA 3.37Å; C424-I439 HydrophobicContact CB-CG1 4.37Å; I439-D451 CarbonylContact O-C 3.6Å; I439-D451 VanDerWaalsContact O-CA 3.25Å; I439-D451 WeakPolarHBondContact O-CA 3.46Å; I439-F452 HydrophobicContact CB-CB 4.28Å; I439-F452 HydrophobicContact CG2-CD2 4.34Å; I439-F452 PolarHBondContact N-O 2.87Å; I439-F452 PolarHBondContact O-N 3Å; I439-V454 HydrophobicContact CD1-CB 4.44Å; I439-V454 HydrophobicContact CD1-CG1 4.2Å; I439-V454 HydrophobicContact CD1-CG2 3.36Å; I439-V454 HydrophobicContact CG1-CG2 4.36Å
440T92.7Very high83.3Confident5 Ų549.1 Ų49.13%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-113.1138.8167.367.40000110.1I422 S423 Y438 Y486I422-T440 PolarHBondContact N-O 3.12Å; S423-T440 PolarHBondContact N-O 2.88Å; S423-T440 PolarHBondContact N-OG1 3.22Å; S423-T440 PolarHBondContact O-N 3.16Å; S423-T440 PolarHBondContact OG-OG1 3.32Å; Y438-T440 HydrophobicContact CD1-CG2 4.28Å; Y438-T440 HydrophobicContact CE1-CG2 3.6Å; T440-Y486 HydrophobicContact CG2-CE1 4.02Å
441C87.8Confident83.5Confident14 Ų1448.5 Ų48.510%0.09527%0.266CS..EExtended strand (participates in β ladder)trans-123.6152.8-178.1-640000111.8H420 P449 K450 F452H420-C441 CarbonylContact O-C 3.54Å; H420-C441 WeakPolarHBondContact O-CA 3.47Å; H420-C441 VanDerWaalsContact O-CB 3.28Å; H420-C441 WeakPolarHBondContact O-CB 3.31Å; C441-P449 VanDerWaalsContact O-CB 3.28Å; C441-P449 WeakPolarHBondContact O-CB 3.36Å; C441-K450 HydrophobicContact CB-CB 4.49Å; C441-K450 PolarHBondContact N-O 2.94Å; C441-K450 PolarHBondContact O-N 2.89Å; C441-F452 HydrophobicContact CB-CE2 4.31Å
442S81.9Confident83.7Confident37 Ų3747.2 Ų47.226%0.25926%0.255SS..  trans-63.4163.1176.270.30000112.7H420 V444H420-S442 PolarHBondContact O-N 3.34Å; S442-V444 PolarHBondContact O-N 3.14Å
443V73.8Confident83.9Confident75 Ų7539.9 Ų39.946%0.45522%0.221SC..  trans-67.8119175-178.60000109.1G446 P449V443-G446 WeakPolarHBondContact CG1-O 3.5Å; V443-P449 HydrophobicContact CG2-CB 4.23Å
444V60.9Low84Confident36 Ų3637.4 Ų37.422%0.21821%0.208CC..  trans-120.5107.2173.5-176.40000108.2S442 G446 Y521S442-V444 PolarHBondContact O-N 3.14Å; V444-G446 PolarHBondContact O-N 2.97Å; V444-G446 VanDerWaalsContact O-N 3.16Å; V444-Y521 HydrophobicContact CG1-CD2 4.13Å; V444-Y521 HydrophobicContact CG2-CD2 4.33Å
445N54.8Low84Confident142 Ų14236.8 Ų36.876%0.75921%0.205SC*.SBendtrans58.321.9175-61.1-24.4000116.4
446G57.3Low84.1Confident38 Ų3835.1 Ų35.139%0.39220%0.197SC..SBendtrans-139.5-172.917600000112.4V443 V444V443-G446 WeakPolarHBondContact CG1-O 3.5Å; V444-G446 PolarHBondContact O-N 2.97Å; V444-G446 VanDerWaalsContact O-N 3.16Å
447D62.8Low84.2Confident170 Ų17035.1 Ų35.191%0.90920%0.197SC*.SBendtrans-95.5-13.9-177.8-63.2-26.4000113.5
448K77.3Confident84.1Confident103 Ų10336.1 Ų36.145%0.44820%0.202SC..SBendtrans-129.3146.5-176.6-71.6-171.6178.2-173.10112.5P484 I487K448-P484 PolarHBondContact NZ-O 2.66Å; K448-I487 HydrophobicContact CB-CD1 4.02Å; K448-I487 HydrophobicContact CB-CG1 3.99Å
449P85.5Confident84.1Confident34 Ų3437.1 Ų37.122%0.22121%0.205CC..  trans-66.5164172.428.5-33.9000110.8C441 V443 Y486 I487C441-P449 VanDerWaalsContact O-CB 3.28Å; C441-P449 WeakPolarHBondContact O-CB 3.36Å; V443-P449 HydrophobicContact CG2-CB 4.23Å; P449-Y486 HydrophobicContact CB-CD1 3.78Å; P449-Y486 HydrophobicContact CB-CE1 3.91Å; P449-Y486 HydrophobicContact CG-CD1 3.56Å; P449-Y486 HydrophobicContact CG-CE1 3.65Å; P449-Y486 CarbonylContact O-C 3.5Å; P449-Y486 VanDerWaalsContact O-CA 3.31Å; P449-Y486 WeakPolarHBondContact O-CA 3.43Å; P449-I487 PolarHBondContact O-N 3.26Å
450K87.2Confident84Confident29 Ų2943.4 Ų43.413%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-109.4148.1-179.1-70.4174.5176.9170.30110.7C441 F452 I487 S489 S517C441-K450 HydrophobicContact CB-CB 4.49Å; C441-K450 PolarHBondContact N-O 2.94Å; C441-K450 PolarHBondContact O-N 2.89Å; K450-F452 HydrophobicContact CB-CE2 4.01Å; K450-F452 HydrophobicContact CB-CZ 4.41Å; K450-I487 WeakPolarHBondContact CA-O 3.46Å; K450-I487 HydrophobicContact CG-CB 4.27Å; K450-S489 WeakPolarHBondContact CD-OG 3.11Å; K450-S489 WeakPolarHBondContact CG-OG 3.25Å; K450-S517 PolarHBondContact NZ-O 3.42Å
451D92.6Very high83.6Confident0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-125.1154.2168.977.9-22.2000111.6Y438 I439 Y486 I487 R488 S489Y438-D451 HydrophobicContact CE2-CB 3.85Å; Y438-D451 WeakPolarHBondContact CE2-OD2 3.39Å; Y438-D451 VanDerWaalsContact OH-CB 3.3Å; Y438-D451 WeakPolarHBondContact OH-CB 3.33Å; Y438-D451 PolarHBondContact OH-OD2 3.1Å; I439-D451 CarbonylContact O-C 3.6Å; I439-D451 VanDerWaalsContact O-CA 3.25Å; I439-D451 WeakPolarHBondContact O-CA 3.46Å; D451-Y486 HydrophobicContact CB-CD1 4.2Å; D451-Y486 HydrophobicContact CB-CD2 4.34Å; D451-Y486 HydrophobicContact CB-CG 3.85Å; D451-I487 PolarHBondContact N-O 3.15Å; D451-R488 VanDerWaalsContact CG-NE 3.34Å; D451-R488 WeakPolarHBondContact OD1-CA 3.34Å; D451-R488 IonicContact OD1-CZ 3.96Å; D451-R488 PolarHBondContact OD1-N 2.84Å; D451-R488 IonicContact OD1-NE 2.99Å; D451-R488 PolarHBondContact OD1-NE 3.04Å; D451-R488 IonicContact OD1-NH2 2.88Å; D451-R488 IonicContact OD2-CZ 2.72Å; D451-R488 IonicContact OD2-NE 3.36Å; D451-R488 PolarHBondContact OD2-NE 3.38Å; D451-R488 IonicContact OD2-NH2 3.53Å; D451-R488 PolarHBondContact OD2-NH2 2.77Å; D451-S489 PolarHBondContact O-N 2.93Å
452F92.7Very high83.1Confident14 Ų1451.1 Ų51.16%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-137.9146.7178.7-54.5-100.5000110.1Y438 I439 C441 K450 V454 S489 V491 I518Y438-F452 WeakPolarHBondContact CA-O 3.37Å; Y438-F452 WeakPolarHBondContact CD2-O 3.21Å; I439-F452 HydrophobicContact CB-CB 4.28Å; I439-F452 HydrophobicContact CG2-CD2 4.34Å; I439-F452 PolarHBondContact N-O 2.87Å; I439-F452 PolarHBondContact O-N 3Å; C441-F452 HydrophobicContact CB-CE2 4.31Å; K450-F452 HydrophobicContact CB-CE2 4.01Å; K450-F452 HydrophobicContact CB-CZ 4.41Å; F452-V454 HydrophobicContact CB-CG1 3.97Å; F452-S489 WeakPolarHBondContact CD1-O 3.3Å; F452-V491 HydrophobicContact CD1-CG2 3.92Å; F452-V491 HydrophobicContact CE1-CG2 4Å; F452-I518 HydrophobicContact CE1-CG2 3.78Å; F452-I518 HydrophobicContact CZ-CG2 3.73Å
453V94Very high82.4Confident3 Ų359.4 Ų59.42%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-115.4116164.8-1800000106.1I436 Y437 Y438 S474 V475 L477 V480I436-V453 HydrophobicContact CG2-CG1 3.85Å; Y437-V453 WeakPolarHBondContact O-CA 3.48Å; Y438-V453 HydrophobicContact CD2-CG2 3.99Å; Y438-V453 HydrophobicContact CE2-CG2 4.47Å; V453-S474 VanDerWaalsContact O-CA 3.25Å; V453-S474 WeakPolarHBondContact O-CA 3.2Å; V453-V475 HydrophobicContact CG1-CG2 3.93Å; V453-V475 PolarHBondContact O-N 3.27Å; V453-L477 HydrophobicContact CG1-CB 4.38Å; V453-L477 HydrophobicContact CG1-CD1 3.76Å; V453-L477 HydrophobicContact CG1-CG 4.12Å; V453-V480 HydrophobicContact CG2-CB 4.17Å; V453-V480 HydrophobicContact CG2-CG1 3.83Å
454V94Very high81.9Confident1 Ų163.7 Ų63.71%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-128137.5-172.6-58.50000112.1I436 Y437 I439 F452 V456 M473I436-V454 CarbonylContact C-O 3.58Å; I436-V454 VanDerWaalsContact CA-O 3.3Å; I436-V454 WeakPolarHBondContact CA-O 3.29Å; Y437-V454 PolarHBondContact N-O 2.81Å; Y437-V454 PolarHBondContact O-N 3.39Å; I439-V454 HydrophobicContact CD1-CB 4.44Å; I439-V454 HydrophobicContact CD1-CG1 4.2Å; I439-V454 HydrophobicContact CD1-CG2 3.36Å; I439-V454 HydrophobicContact CG1-CG2 4.36Å; F452-V454 HydrophobicContact CB-CG1 3.97Å; V454-V456 HydrophobicContact CG2-CG2 4.18Å; V454-M473 CarbonylContact C-O 3.57Å; V454-M473 WeakPolarHBondContact CA-O 3.48Å; V454-M473 WeakPolarHBondContact CB-O 3.34Å
455L95.3Very high82.3Confident0 Ų065.5 Ų65.50%034%0.335CS..EExtended strand (participates in β ladder)trans-85.2125164.2176.571.1000108.3W344 I352 N356 V430 D434 I436 L472 M473 V475W344-L455 HydrophobicContact CH2-CD1 3.96Å; W344-L455 HydrophobicContact CZ3-CD1 3.99Å; W344-L455 HydrophobicContact CZ3-CD2 3.9Å; W344-L455 HydrophobicContact CZ3-CG 4.44Å; I352-L455 HydrophobicContact CG2-CD2 3.8Å; N356-L455 PolarHBondContact ND2-O 2.87Å; V430-L455 HydrophobicContact CG2-CD1 4.37Å; D434-L455 HydrophobicContact CB-CD1 4.41Å; I436-L455 HydrophobicContact CG1-CD1 3.94Å; L455-L472 VanDerWaalsContact O-CA 3.26Å; L455-L472 WeakPolarHBondContact O-CA 3.46Å; L455-M473 HydrophobicContact CB-CG 4.41Å; L455-M473 HydrophobicContact CD2-CE 4.21Å; L455-M473 PolarHBondContact N-O 2.93Å; L455-M473 PolarHBondContact O-N 2.8Å; L455-M473 VanDerWaalsContact O-N 3.14Å; L455-V475 HydrophobicContact CB-CG1 3.83Å; L455-V475 HydrophobicContact CB-CG2 4.49Å
456V96.4Very high83.7Confident0 Ų064 Ų640%033%0.326CS..EExtended strand (participates in β ladder)trans-107.6120.1171.2178.40000108.2F411 D434 Q435 Y437 V454 Q458 V470 A471 L472F411-V456 HydrophobicContact CD1-CG2 3.95Å; F411-V456 HydrophobicContact CD2-CG1 4.06Å; F411-V456 HydrophobicContact CD2-CG2 4.04Å; F411-V456 HydrophobicContact CE1-CG2 3.89Å; F411-V456 HydrophobicContact CE2-CG1 3.8Å; F411-V456 HydrophobicContact CE2-CG2 3.99Å; F411-V456 HydrophobicContact CG-CG2 4.03Å; F411-V456 HydrophobicContact CZ-CG1 4.33Å; F411-V456 HydrophobicContact CZ-CG2 3.92Å; D434-V456 WeakPolarHBondContact CA-O 3.36Å; Q435-V456 PolarHBondContact N-O 2.78Å; Q435-V456 PolarHBondContact O-N 3.4Å; Y437-V456 HydrophobicContact CD2-CB 4.01Å; Y437-V456 HydrophobicContact CD2-CG2 3.52Å; Y437-V456 HydrophobicContact CE2-CB 3.8Å; Y437-V456 HydrophobicContact CE2-CG1 4.44Å; Y437-V456 HydrophobicContact CE2-CG2 3.71Å; V454-V456 HydrophobicContact CG2-CG2 4.18Å; V456-Q458 HydrophobicContact CG1-CG 4.23Å; V456-V470 HydrophobicContact CG1-CG1 3.76Å; V456-A471 CarbonylContact C-O 3.6Å; V456-A471 VanDerWaalsContact CA-O 3.29Å; V456-A471 WeakPolarHBondContact CA-O 3.37Å; V456-L472 HydrophobicContact CG2-CB 4.27Å
457S95.9Very high85.4Confident0 Ų062.8 Ų62.80%031%0.312CS..EExtended strand (participates in β ladder)trans-116.8118.1-179.6-67.20000110N356 D434 A471N356-S457 PolarHBondContact ND2-OG 3.27Å; D434-S457 VanDerWaalsContact OD1-CA 3.28Å; D434-S457 WeakPolarHBondContact OD1-CA 3.27Å; D434-S457 WeakPolarHBondContact OD1-CB 3.5Å; D434-S457 PolarHBondContact OD1-OG 2.66Å; S457-A471 PolarHBondContact N-O 3.41Å; S457-A471 PolarHBondContact O-N 2.98Å
458Q94.5Very high86.9Confident22 Ų2257 Ų5710%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-106.5138.4-174.1-46.5175.521.200110Y405 S409 D433 V456 I469 V470Y405-Q458 HydrophobicContact CE2-CB 4.3Å; Y405-Q458 VanDerWaalsContact OH-CB 3.31Å; Y405-Q458 WeakPolarHBondContact OH-CB 3.48Å; S409-Q458 PolarHBondContact O-NE2 2.99Å; S409-Q458 VanDerWaalsContact O-NE2 3.09Å; S409-Q458 VanDerWaalsContact OG-CD 3.23Å; S409-Q458 PolarHBondContact OG-OE1 2.88Å; D433-Q458 WeakPolarHBondContact CB-O 3.48Å; D433-Q458 PolarHBondContact O-N 3.03Å; V456-Q458 HydrophobicContact CG1-CG 4.23Å; Q458-I469 CarbonylContact C-O 3.6Å; Q458-I469 WeakPolarHBondContact CA-O 3.5Å; Q458-V470 HydrophobicContact CG-CG1 4.45Å
459R94.3Very high87.8Confident55 Ų5552.5 Ų52.521%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-137.8129.3176.3-61.3-66.1180-90.63.3110N354 V357 D434 I469N354-R459 PolarHBondContact OD1-NH2 3.43Å; V357-R459 HydrophobicContact CG1-CG 4.1Å; V357-R459 HydrophobicContact CG2-CG 3.78Å; D434-R459 IonicContact OD1-CZ 3.48Å; D434-R459 IonicContact OD1-NH1 2.76Å; D434-R459 PolarHBondContact OD1-NH1 2.71Å; D434-R459 IonicContact OD1-NH2 2.75Å; D434-R459 PolarHBondContact OD1-NH2 3.45Å; D434-R459 IonicContact OD2-NH1 2.89Å; D434-R459 IonicContact OD2-NH2 2.68Å; R459-I469 HydrophobicContact CB-CB 4.38Å; R459-I469 PolarHBondContact N-O 3.38Å; R459-I469 PolarHBondContact O-N 2.87Å
460K91.9Very high88.4Confident133 Ų13350.9 Ų50.958%0.57825%0.247SC*.PPolyproline II helixtrans-76.3152.3169.4-67.5174-173.5164.60109.8Y405 L462Y405-K460 HydrophobicContact CE1-CG 4.04Å; K460-L462 PolarHBondContact O-N 2.99Å
461P85.2Confident88.9Confident39 Ų3949.5 Ų49.525%0.25324%0.241SC..PPolyproline II helixtrans-54135.6175.620.4-33.5000112.2D465 Y468P461-D465 VanDerWaalsContact CA-O 3.3Å; P461-D465 WeakPolarHBondContact CA-O 3.47Å; P461-D465 WeakPolarHBondContact CB-O 3.49Å; P461-Y468 HydrophobicContact CG-CD1 4.24Å; P461-Y468 HydrophobicContact CG-CD2 4.27Å; P461-Y468 HydrophobicContact CG-CE1 3.92Å; P461-Y468 HydrophobicContact CG-CE2 3.96Å; P461-Y468 HydrophobicContact CG-CG 4.39Å
462L77.9Confident89Confident143 Ų14349.5 Ų49.575%0.74924%0.242SC*.PPolyproline II helixtrans-76160163.6-67.8170.8000108.3K460 D464 D465K460-L462 PolarHBondContact O-N 2.99Å; L462-D464 PolarHBondContact O-N 2.87Å; L462-D465 PolarHBondContact O-N 3.27Å; L462-D465 VanDerWaalsContact O-O 3.08Å
463K65.9Low89Confident210 Ų21049.6 Ų49.691%0.91324%0.243SC*.THydrogen-bonded Turntrans-49.5-23.6-170.2-74.3-175.8177.8179.50115.9
464D63.1Low88.9Confident165 Ų16549.9 Ų49.988%0.88224%0.244SC*.THydrogen-bonded Turntrans-106.6-14.5-176.2-56.1-33.2000114.2L462L462-D464 PolarHBondContact O-N 2.87Å
465D69.1Low88.8Confident75 Ų7550.1 Ų50.140%0.40125%0.246SC..  trans-118.1109.1-179.3-179.83.9000108.6P461 L462 T467P461-D465 VanDerWaalsContact CA-O 3.3Å; P461-D465 WeakPolarHBondContact CA-O 3.47Å; P461-D465 WeakPolarHBondContact CB-O 3.49Å; L462-D465 PolarHBondContact O-N 3.27Å; L462-D465 VanDerWaalsContact O-O 3.08Å; D465-T467 PolarHBondContact O-N 2.86Å; D465-T467 VanDerWaalsContact O-N 3.09Å; D465-T467 WeakPolarHBondContact OD1-CB 3.43Å; D465-T467 PolarHBondContact OD1-N 3.28Å; D465-T467 PolarHBondContact OD1-OG1 3.01Å
466N85.3Confident88.6Confident110 Ų11053.3 Ų53.359%0.58827%0.265SS*.  trans-75.412.2-178.8-75.5-23.7000113.9P500N466-P500 HydrophobicContact CB-CG 3.88Å; N466-P500 WeakPolarHBondContact O-CD 3.44Å
467T92.4Very high88.2Confident13 Ų1354 Ų548%0.0827%0.269CS..  trans-89.9123.2-176.8-48.80000111.8D465 I469 L497 Q499D465-T467 PolarHBondContact O-N 2.86Å; D465-T467 VanDerWaalsContact O-N 3.09Å; D465-T467 WeakPolarHBondContact OD1-CB 3.43Å; D465-T467 PolarHBondContact OD1-N 3.28Å; D465-T467 PolarHBondContact OD1-OG1 3.01Å; T467-I469 HydrophobicContact CG2-CG1 4.25Å; T467-L497 HydrophobicContact CG2-CB 4.15Å; T467-L497 HydrophobicContact CG2-CD2 4.22Å; T467-Q499 HydrophobicContact CG2-CG 3.81Å; T467-Q499 PolarHBondContact OG1-NE2 3.12Å
468Y95.6Very high87.7Confident48 Ų4858.9 Ų58.919%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-85.8139.4165.1-59.4-103.6000109.9A401 Y405 P461 I498A401-Y468 HydrophobicContact CB-CD2 4.11Å; A401-Y468 HydrophobicContact CB-CE2 3.84Å; Y405-Y468 AromaticContact CD1-CD1 3.73Å; Y405-Y468 HydrophobicContact CD1-CD1 3.73Å; Y405-Y468 HydrophobicContact CD1-CE1 4.18Å; Y405-Y468 VanDerWaalsContact CD2-CB 3.49Å; Y405-Y468 AromaticContact CD2-CD1 3.74Å; Y405-Y468 HydrophobicContact CD2-CD1 3.74Å; Y405-Y468 AromaticContact CD2-CG 4Å; Y405-Y468 HydrophobicContact CD2-CG 4Å; Y405-Y468 HydrophobicContact CE1-CD1 4.19Å; Y405-Y468 HydrophobicContact CE2-CD1 4.15Å; Y405-Y468 AromaticContact CG-CD1 3.46Å; Y405-Y468 HydrophobicContact CG-CD1 3.46Å; Y405-Y468 VanDerWaalsContact CG-CD1 3.46Å; Y405-Y468 HydrophobicContact CG-CE1 4.25Å; Y405-Y468 AromaticContact CG-CG 3.97Å; Y405-Y468 HydrophobicContact CG-CG 3.97Å; P461-Y468 HydrophobicContact CG-CD1 4.24Å; P461-Y468 HydrophobicContact CG-CD2 4.27Å; P461-Y468 HydrophobicContact CG-CE1 3.92Å; P461-Y468 HydrophobicContact CG-CE2 3.96Å; P461-Y468 HydrophobicContact CG-CG 4.39Å; Y468-I498 PolarHBondContact N-O 2.88Å; Y468-I498 PolarHBondContact O-N 3.44Å
469I96.2Very high87.4Confident8 Ų862.3 Ų62.34%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-123.6132-174.1-53.4-179000109.8V357 L360 K361 Q458 R459 T467 A471 L497V357-I469 HydrophobicContact CG1-CD1 4.3Å; V357-I469 HydrophobicContact CG1-CG2 4.3Å; L360-I469 HydrophobicContact CD2-CG2 3.82Å; K361-I469 HydrophobicContact CD-CD1 4.23Å; K361-I469 HydrophobicContact CG-CD1 3.92Å; Q458-I469 CarbonylContact C-O 3.6Å; Q458-I469 WeakPolarHBondContact CA-O 3.5Å; R459-I469 HydrophobicContact CB-CB 4.38Å; R459-I469 PolarHBondContact N-O 3.38Å; R459-I469 PolarHBondContact O-N 2.87Å; T467-I469 HydrophobicContact CG2-CG1 4.25Å; I469-A471 HydrophobicContact CG2-CB 4.48Å; I469-L497 HydrophobicContact CB-CD2 4.3Å; I469-L497 HydrophobicContact CD1-CD2 4.41Å; I469-L497 HydrophobicContact CG1-CD2 3.84Å; I469-L497 HydrophobicContact CG2-CD2 3.99Å
470V97.1Very high87.2Confident0 Ų060.9 Ų60.90%033%0.325CS..EExtended strand (participates in β ladder)trans-128.295170-177.40000107.8Y405 S409 F411 V456 Q458 G495 F496Y405-V470 HydrophobicContact CD2-CG2 3.88Å; Y405-V470 HydrophobicContact CE2-CG2 3.85Å; S409-V470 WeakPolarHBondContact OG-CG2 3.33Å; F411-V470 HydrophobicContact CE2-CG1 3.8Å; F411-V470 HydrophobicContact CZ-CG1 4.47Å; V456-V470 HydrophobicContact CG1-CG1 3.76Å; Q458-V470 HydrophobicContact CG-CG1 4.45Å; V470-G495 CarbonylContact O-C 3.44Å; V470-G495 WeakPolarHBondContact O-CA 3.46Å; V470-F496 HydrophobicContact CB-CB 4.23Å; V470-F496 HydrophobicContact CB-CD2 4.27Å; V470-F496 HydrophobicContact CG1-CD2 4.34Å; V470-F496 PolarHBondContact N-O 3.48Å; V470-F496 PolarHBondContact O-N 3.02Å
471A96.9Very high87.1Confident0 Ų058.7 Ų58.70%032%0.324CS..EExtended strand (participates in β ladder)trans-92.4140.5-177.700000111.6N356 V357 L360 V456 S457 I469N356-A471 HydrophobicContact CB-CB 4.36Å; N356-A471 PolarHBondContact ND2-O 2.84Å; V357-A471 HydrophobicContact CG2-CB 4.23Å; L360-A471 HydrophobicContact CB-CB 4.08Å; L360-A471 HydrophobicContact CD2-CB 3.86Å; V456-A471 CarbonylContact C-O 3.6Å; V456-A471 VanDerWaalsContact CA-O 3.29Å; V456-A471 WeakPolarHBondContact CA-O 3.37Å; S457-A471 PolarHBondContact N-O 3.41Å; S457-A471 PolarHBondContact O-N 2.98Å; I469-A471 HydrophobicContact CG2-CB 4.48Å
472L94.4Very high87.3Confident1 Ų161.2 Ų61.21%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-130141.2172.869.5140.6000112.8N356 F411 L455 V456 V491 A494 Y510N356-L472 VanDerWaalsContact OD1-C 3.3Å; F411-L472 HydrophobicContact CE1-CD1 4.32Å; F411-L472 HydrophobicContact CE1-CD2 4.32Å; F411-L472 HydrophobicContact CZ-CB 4.47Å; F411-L472 HydrophobicContact CZ-CD2 3.94Å; L455-L472 VanDerWaalsContact O-CA 3.26Å; L455-L472 WeakPolarHBondContact O-CA 3.46Å; V456-L472 HydrophobicContact CG2-CB 4.27Å; L472-V491 HydrophobicContact CD1-CB 4.46Å; L472-V491 HydrophobicContact CD1-CG1 3.91Å; L472-V491 HydrophobicContact CD1-CG2 4.42Å; L472-V491 HydrophobicContact CG-CG1 4.37Å; L472-A494 HydrophobicContact CD1-CB 4.06Å; L472-A494 HydrophobicContact CD2-CB 3.76Å; L472-A494 VanDerWaalsContact CD2-O 3.24Å; L472-A494 WeakPolarHBondContact CD2-O 3.5Å; L472-A494 HydrophobicContact CG-CB 3.76Å; L472-A494 WeakPolarHBondContact CG-O 3.29Å; L472-A494 PolarHBondContact N-O 2.86Å; L472-A494 PolarHBondContact O-N 2.8Å; L472-Y510 HydrophobicContact CD2-CE2 4.43Å
473M93.7Very high87.7Confident16 Ų1656 Ų568%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-145.9156.2169.365.9157.8126.800110.5I352 N356 V454 L455I352-M473 HydrophobicContact CG2-CE 3.64Å; I352-M473 HydrophobicContact CG2-SD 4.41Å; I352-M473 WeakPolarHBondContact O-CE 3.25Å; N356-M473 HydrophobicContact CB-CE 3.31Å; N356-M473 HydrophobicContact CB-CG 4.38Å; N356-M473 PolarHBondContact OD1-N 3.3Å; V454-M473 CarbonylContact C-O 3.57Å; V454-M473 WeakPolarHBondContact CA-O 3.48Å; V454-M473 WeakPolarHBondContact CB-O 3.34Å; L455-M473 HydrophobicContact CB-CG 4.41Å; L455-M473 HydrophobicContact CD2-CE 4.21Å; L455-M473 PolarHBondContact N-O 2.93Å; L455-M473 PolarHBondContact O-N 2.8Å; L455-M473 VanDerWaalsContact O-N 3.14Å
474S92.8Very high88.7Confident8 Ų851.2 Ų51.26%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-77.3139.5173.6-78.50000112.6V453 Q490 V491V453-S474 VanDerWaalsContact O-CA 3.25Å; V453-S474 WeakPolarHBondContact O-CA 3.2Å; S474-Q490 WeakPolarHBondContact OG-CA 3.49Å; S474-V491 PolarHBondContact N-O 2.77Å; S474-V491 PolarHBondContact OG-N 3.27Å
475V91.9Very high89.8Confident6 Ų649.6 Ų49.64%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-126.8149.4175.9-63.10000110.4T342 W344 I436 V453 L455T342-V475 WeakPolarHBondContact O-CA 3.48Å; W344-V475 HydrophobicContact CB-CB 4.35Å; W344-V475 HydrophobicContact CE3-CB 4.39Å; W344-V475 HydrophobicContact CE3-CG1 4.08Å; I436-V475 HydrophobicContact CD1-CG2 4.46Å; I436-V475 HydrophobicContact CG2-CG2 4.27Å; V453-V475 HydrophobicContact CG1-CG2 3.93Å; V453-V475 PolarHBondContact O-N 3.27Å; L455-V475 HydrophobicContact CB-CG1 3.83Å; L455-V475 HydrophobicContact CB-CG2 4.49Å
476V89.8Confident90.7Very high68 Ų6849 Ų4941%0.41229%0.286SS..EExtended strand (participates in β ladder)trans-96.2110.8175.6-176.30000108.8T342 W344T342-V476 PolarHBondContact O-N 2.79Å; W344-V476 WeakPolarHBondContact CB-O 3.4Å; W344-V476 PolarHBondContact N-O 2.64Å
477L88.3Confident90.7Very high13 Ų1347.3 Ų47.37%0.06828%0.276CS..  trans-102.1119.5173.1-79.8177000110.3W344 I427 I436 V453 S479 V480W344-L477 HydrophobicContact CB-CD2 3.67Å; W344-L477 HydrophobicContact CB-CG 4.25Å; W344-L477 HydrophobicContact CG-CD2 3.52Å; W344-L477 HydrophobicContact CG-CG 4.41Å; I427-L477 HydrophobicContact CG2-CD1 3.91Å; I436-L477 HydrophobicContact CD1-CD1 4.13Å; I436-L477 HydrophobicContact CD1-CD2 4.33Å; I436-L477 HydrophobicContact CG2-CD1 3.7Å; V453-L477 HydrophobicContact CG1-CB 4.38Å; V453-L477 HydrophobicContact CG1-CD1 3.76Å; V453-L477 HydrophobicContact CG1-CG 4.12Å; L477-S479 PolarHBondContact O-N 3.4Å; L477-V480 HydrophobicContact CB-CB 4.29Å; L477-V480 HydrophobicContact CB-CG2 4.32Å; L477-V480 HydrophobicContact CD1-CG2 4.27Å; L477-V480 CarbonylContact O-C 3.54Å; L477-V480 PolarHBondContact O-N 2.9Å
478P85.8Confident90.5Very high104 Ų10449.2 Ų49.268%0.67528%0.282SS*.THydrogen-bonded Turntrans-58.6-28.2174.1-25.735000113.8V480P478-V480 VanDerWaalsContact C-N 3.26Å; P478-V480 PolarHBondContact O-N 3.29Å
479S88.4Confident90Very high94 Ų9447 Ų4766%0.65727%0.273SS*.THydrogen-bonded Turntrans-71.7-16.217651.50000113.9L477 P481L477-S479 PolarHBondContact O-N 3.4Å; S479-P481 VanDerWaalsContact C-CD 3.47Å; S479-P481 WeakPolarHBondContact O-CD 3.47Å
480V90.2Very high89.5Confident25 Ų2548.4 Ų48.415%0.15228%0.279CS..SBendtrans-12768.2-179.1-167.60000110.1I427 Y438 V453 L477 P478 R488I427-V480 HydrophobicContact CD1-CG2 4.4Å; I427-V480 HydrophobicContact CG2-CG2 4.02Å; Y438-V480 HydrophobicContact CD2-CG1 3.89Å; Y438-V480 HydrophobicContact CE2-CG1 4.07Å; V453-V480 HydrophobicContact CG2-CB 4.17Å; V453-V480 HydrophobicContact CG2-CG1 3.83Å; L477-V480 HydrophobicContact CB-CB 4.29Å; L477-V480 HydrophobicContact CB-CG2 4.32Å; L477-V480 HydrophobicContact CD1-CG2 4.27Å; L477-V480 CarbonylContact O-C 3.54Å; L477-V480 PolarHBondContact O-N 2.9Å; P478-V480 VanDerWaalsContact C-N 3.26Å; P478-V480 PolarHBondContact O-N 3.29Å; V480-R488 PolarHBondContact O-NH1 3.14Å; V480-R488 PolarHBondContact O-NH2 3.15Å
481P89.8Confident89.1Confident87 Ų8749 Ų4957%0.56528%0.283SS*.PPolyproline II helixtrans-64.3160.3-179.628.6-35.3000111.8S479 S483 R488S479-P481 VanDerWaalsContact C-CD 3.47Å; S479-P481 WeakPolarHBondContact O-CD 3.47Å; P481-S483 PolarHBondContact O-N 2.82Å; P481-R488 PolarHBondContact O-NH2 2.9Å
482P88.4Confident88.6Confident91 Ų9153 Ų5359%0.59130%0.303SS*.PPolyproline II helixtrans-55.9130.1172.5-24.935.2000112R488P482-R488 HydrophobicContact CB-CB 4.01Å; P482-R488 HydrophobicContact CG-CB 4.26Å; P482-R488 HydrophobicContact CG-CG 4.27Å
483S87Confident88.5Confident34 Ų3453 Ų5324%0.23830%0.304CS..PPolyproline II helixtrans-91.3138.4174.7169.50000110.4P481 Q485 Y486P481-S483 PolarHBondContact O-N 2.82Å; S483-Q485 PolarHBondContact O-N 2.69Å; S483-Q485 VanDerWaalsContact O-N 3.11Å; S483-Q485 PolarHBondContact OG-N 2.88Å; S483-Y486 PolarHBondContact O-N 3.17Å; S483-Y486 VanDerWaalsContact O-N 3.11Å
484P86.1Confident88.5Confident110 Ų11052.3 Ų52.371%0.71430%0.3SS*.THydrogen-bonded Turntrans-65-14.3177.726.1-33.9000114.1K448K448-P484 PolarHBondContact NZ-O 2.66Å
485Q87.5Confident88.7Confident131 Ų13151.9 Ų51.961%0.61230%0.298SS*.THydrogen-bonded Turntrans-73.2-28.2175.5-64179.60.100112.4S483S483-Q485 PolarHBondContact O-N 2.69Å; S483-Q485 VanDerWaalsContact O-N 3.11Å; S483-Q485 PolarHBondContact OG-N 2.88Å
486Y87.7Confident88.9Confident62 Ų6251.8 Ų51.824%0.24330%0.297CS..SBendtrans-118.7158.4-174-59.8-82.8000111.5T440 P449 D451 S483T440-Y486 HydrophobicContact CG2-CE1 4.02Å; P449-Y486 HydrophobicContact CB-CD1 3.78Å; P449-Y486 HydrophobicContact CB-CE1 3.91Å; P449-Y486 HydrophobicContact CG-CD1 3.56Å; P449-Y486 HydrophobicContact CG-CE1 3.65Å; P449-Y486 CarbonylContact O-C 3.5Å; P449-Y486 VanDerWaalsContact O-CA 3.31Å; P449-Y486 WeakPolarHBondContact O-CA 3.43Å; D451-Y486 HydrophobicContact CB-CD1 4.2Å; D451-Y486 HydrophobicContact CB-CD2 4.34Å; D451-Y486 HydrophobicContact CB-CG 3.85Å; S483-Y486 PolarHBondContact O-N 3.17Å; S483-Y486 VanDerWaalsContact O-N 3.11Å
487I83.9Confident89.3Confident74 Ų7449.7 Ų49.738%0.37928%0.283SS..EExtended strand (participates in β ladder)trans-93.1106.5164.9-60.3172.1000107.6K448 P449 K450 D451 S489K448-I487 HydrophobicContact CB-CD1 4.02Å; K448-I487 HydrophobicContact CB-CG1 3.99Å; P449-I487 PolarHBondContact O-N 3.26Å; K450-I487 WeakPolarHBondContact CA-O 3.46Å; K450-I487 HydrophobicContact CG-CB 4.27Å; D451-I487 PolarHBondContact N-O 3.15Å; I487-S489 PolarHBondContact O-N 2.87Å; I487-S489 PolarHBondContact O-OG 2.9Å
488R89.2Confident89.7Confident53 Ų5349.1 Ų49.120%0.228%0.28CS..EExtended strand (participates in β ladder)trans-61108.1176.1179.160.456.583.1-0.3110.2D451 V480 P481 P482D451-R488 VanDerWaalsContact CG-NE 3.34Å; D451-R488 WeakPolarHBondContact OD1-CA 3.34Å; D451-R488 IonicContact OD1-CZ 3.96Å; D451-R488 PolarHBondContact OD1-N 2.84Å; D451-R488 IonicContact OD1-NE 2.99Å; D451-R488 PolarHBondContact OD1-NE 3.04Å; D451-R488 IonicContact OD1-NH2 2.88Å; D451-R488 IonicContact OD2-CZ 2.72Å; D451-R488 IonicContact OD2-NE 3.36Å; D451-R488 PolarHBondContact OD2-NE 3.38Å; D451-R488 IonicContact OD2-NH2 3.53Å; D451-R488 PolarHBondContact OD2-NH2 2.77Å; V480-R488 PolarHBondContact O-NH1 3.14Å; V480-R488 PolarHBondContact O-NH2 3.15Å; P481-R488 PolarHBondContact O-NH2 2.9Å; P482-R488 HydrophobicContact CB-CB 4.01Å; P482-R488 HydrophobicContact CG-CB 4.26Å; P482-R488 HydrophobicContact CG-CG 4.27Å
489S85Confident90.1Very high1 Ų148.7 Ų48.71%0.00727%0.269CS..  trans-107.1165.1-175.9-63.10000110.1K450 D451 F452 I487 S517K450-S489 WeakPolarHBondContact CD-OG 3.11Å; K450-S489 WeakPolarHBondContact CG-OG 3.25Å; D451-S489 PolarHBondContact O-N 2.93Å; F452-S489 WeakPolarHBondContact CD1-O 3.3Å; I487-S489 PolarHBondContact O-N 2.87Å; I487-S489 PolarHBondContact O-OG 2.9Å; S489-S517 WeakPolarHBondContact CB-OG 3.27Å
490Q85.1Confident90.4Very high38 Ų3846.7 Ų46.718%0.17825%0.254CS..  trans-130.7144.1-174.4-65.7-175.2-20.200111.6L340 S474 S515 S517L340-Q490 VanDerWaalsContact C-OE1 3.27Å; L340-Q490 PolarHBondContact O-OE1 3.06Å; S474-Q490 WeakPolarHBondContact OG-CA 3.49Å; Q490-S515 VanDerWaalsContact O-CB 3.3Å; Q490-S515 WeakPolarHBondContact O-CB 3.37Å; Q490-S515 PolarHBondContact O-OG 2.91Å; Q490-S517 PolarHBondContact N-OG 3.12Å; Q490-S517 VanDerWaalsContact N-OG 3.09Å; Q490-S517 PolarHBondContact O-OG 2.98Å
491V88.6Confident90.5Very high12 Ų1249.6 Ų49.67%0.07327%0.271CS..  trans-111.2118.1168.9179.40000107.5F452 L472 S474 A494F452-V491 HydrophobicContact CD1-CG2 3.92Å; F452-V491 HydrophobicContact CE1-CG2 4Å; L472-V491 HydrophobicContact CD1-CB 4.46Å; L472-V491 HydrophobicContact CD1-CG1 3.91Å; L472-V491 HydrophobicContact CD1-CG2 4.42Å; L472-V491 HydrophobicContact CG-CG1 4.37Å; S474-V491 PolarHBondContact N-O 2.77Å; S474-V491 PolarHBondContact OG-N 3.27Å; V491-A494 HydrophobicContact CG1-CB 3.66Å
492I86.9Confident90.5Very high84 Ų8449 Ų4943%0.43126%0.264SS..SBendtrans-71-57.7-179.5-63.2167.8000109.4Q513I492-Q513 HydrophobicContact CG2-CG 4.49Å
493C91.7Very high90.5Very high3 Ų350 Ų502%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-153.8125.4176.8177.70000108.4A359 L360 Q513A359-C493 VanDerWaalsContact C-SG 3.59Å; L360-C493 VanDerWaalsContact CA-SG 3.57Å; C493-Q513 HydrophobicContact CB-CB 4.25Å; C493-Q513 PolarHBondContact O-N 2.74Å
494A94.7Very high90.8Very high0 Ų051.7 Ų51.70%029%0.285CS..EExtended strand (participates in β ladder)trans-149.9171.1170.400000110.2L472 V491 Y510 L511 N512L472-A494 HydrophobicContact CD1-CB 4.06Å; L472-A494 HydrophobicContact CD2-CB 3.76Å; L472-A494 VanDerWaalsContact CD2-O 3.24Å; L472-A494 WeakPolarHBondContact CD2-O 3.5Å; L472-A494 HydrophobicContact CG-CB 3.76Å; L472-A494 WeakPolarHBondContact CG-O 3.29Å; L472-A494 PolarHBondContact N-O 2.86Å; L472-A494 PolarHBondContact O-N 2.8Å; V491-A494 HydrophobicContact CG1-CB 3.66Å; A494-Y510 HydrophobicContact CB-CE2 4.39Å; A494-L511 CarbonylContact C-O 3.47Å; A494-L511 WeakPolarHBondContact CA-O 3.26Å; A494-L511 WeakPolarHBondContact CB-O 3.38Å; A494-N512 HydrophobicContact CB-CB 4.03Å
495G96.3Very high91.1Very high0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans159.2-177172.900000115.2V470 Y510 L511V470-G495 CarbonylContact O-C 3.44Å; V470-G495 WeakPolarHBondContact O-CA 3.46Å; G495-Y510 CarbonylContact O-C 3.59Å; G495-Y510 VanDerWaalsContact O-CA 3.29Å; G495-Y510 WeakPolarHBondContact O-CA 3.44Å; G495-Y510 WeakPolarHBondContact O-CD2 3.48Å; G495-L511 PolarHBondContact N-O 3.38Å; G495-L511 PolarHBondContact O-N 3.47Å
496F97.5Very high91.5Very high4 Ų441.2 Ų41.22%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-108.2133.2179.4-56.8-85.3000110.2L408 F411 W417 V470 I498 V508 A509 Y510L408-F496 HydrophobicContact CB-CD2 4.35Å; L408-F496 HydrophobicContact CB-CG 4.48Å; L408-F496 HydrophobicContact CD1-CD1 4.06Å; L408-F496 HydrophobicContact CD1-CE1 4.43Å; L408-F496 HydrophobicContact CD1-CG 4.31Å; L408-F496 HydrophobicContact CD2-CE1 4.38Å; L408-F496 HydrophobicContact CD2-CZ 4.4Å; F411-F496 HydrophobicContact CE2-CE2 4.36Å; F411-F496 HydrophobicContact CZ-CE2 4.2Å; W417-F496 HydrophobicContact CH2-CZ 4.15Å; W417-F496 HydrophobicContact CZ2-CZ 4.22Å; V470-F496 HydrophobicContact CB-CB 4.23Å; V470-F496 HydrophobicContact CB-CD2 4.27Å; V470-F496 HydrophobicContact CG1-CD2 4.34Å; V470-F496 PolarHBondContact N-O 3.48Å; V470-F496 PolarHBondContact O-N 3.02Å; F496-I498 HydrophobicContact CB-CD1 4.47Å; F496-I498 HydrophobicContact CB-CG1 4.31Å; F496-V508 HydrophobicContact CD1-CG1 4.05Å; F496-A509 CarbonylContact C-O 3.59Å; F496-A509 VanDerWaalsContact CA-O 3.29Å; F496-A509 WeakPolarHBondContact CA-O 3.42Å; F496-Y510 AromaticContact CD1-CD2 3.81Å; F496-Y510 HydrophobicContact CD1-CD2 3.81Å; F496-Y510 HydrophobicContact CD1-CG 4.34Å; F496-Y510 HydrophobicContact CD2-CD2 4.43Å; F496-Y510 AromaticContact CE1-CD2 3.48Å; F496-Y510 HydrophobicContact CE1-CD2 3.48Å; F496-Y510 VanDerWaalsContact CE1-CD2 3.48Å; F496-Y510 HydrophobicContact CE1-CE2 4.39Å; F496-Y510 HydrophobicContact CE1-CG 4Å; F496-Y510 HydrophobicContact CE2-CD2 4.15Å; F496-Y510 HydrophobicContact CE2-CE2 4.42Å; F496-Y510 HydrophobicContact CG-CD2 4.28Å; F496-Y510 AromaticContact CZ-CD2 3.66Å; F496-Y510 HydrophobicContact CZ-CD2 3.66Å; F496-Y510 HydrophobicContact CZ-CE2 4.14Å
497L96.6Very high91.9Very high24 Ų2439.2 Ų39.213%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-110.7125.2162.4-59.1-178.8000107.7L360 A364 T467 I469 A509 L511L360-L497 HydrophobicContact CD2-CD2 4.09Å; L360-L497 HydrophobicContact CG-CD2 4.34Å; A364-L497 HydrophobicContact CB-CD1 3.39Å; T467-L497 HydrophobicContact CG2-CB 4.15Å; T467-L497 HydrophobicContact CG2-CD2 4.22Å; I469-L497 HydrophobicContact CB-CD2 4.3Å; I469-L497 HydrophobicContact CD1-CD2 4.41Å; I469-L497 HydrophobicContact CG1-CD2 3.84Å; I469-L497 HydrophobicContact CG2-CD2 3.99Å; L497-A509 HydrophobicContact CB-CB 4.38Å; L497-A509 PolarHBondContact N-O 2.91Å; L497-A509 PolarHBondContact O-N 2.92Å; L497-L511 HydrophobicContact CB-CD1 4.48Å; L497-L511 HydrophobicContact CD1-CD1 3.74Å; L497-L511 HydrophobicContact CG-CD1 3.82Å
498I96.9Very high92.6Very high0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-124.4119.4-174.2-53165.3000107.8A401 A404 Y405 L408 Y468 F496 C506 T507 V508A401-I498 HydrophobicContact CB-CG2 4.02Å; A404-I498 HydrophobicContact CB-CG2 4.07Å; Y405-I498 VanDerWaalsContact CA-CD1 3.48Å; Y405-I498 HydrophobicContact CD2-CD1 4.49Å; L408-I498 HydrophobicContact CB-CD1 4.42Å; L408-I498 HydrophobicContact CD1-CD1 3.9Å; L408-I498 HydrophobicContact CD1-CG1 4.43Å; Y468-I498 PolarHBondContact N-O 2.88Å; Y468-I498 PolarHBondContact O-N 3.44Å; F496-I498 HydrophobicContact CB-CD1 4.47Å; F496-I498 HydrophobicContact CB-CG1 4.31Å; I498-C506 HydrophobicContact CG2-CB 4.34Å; I498-T507 WeakPolarHBondContact CA-O 3.12Å; I498-V508 HydrophobicContact CG1-CG1 4.35Å; I498-V508 HydrophobicContact CG1-CG2 4.33Å; I498-V508 HydrophobicContact CG2-CG2 4.23Å
499Q94.5Very high92.9Very high95 Ų9533.8 Ų33.844%0.44420%0.2SC..EExtended strand (participates in β ladder)trans-123.2129.4-175.6-68.7179.7-30.100109.7T467 V501 C506 T507T467-Q499 HydrophobicContact CG2-CG 3.81Å; T467-Q499 PolarHBondContact OG1-NE2 3.12Å; Q499-V501 PolarHBondContact O-N 2.97Å; Q499-C506 CarbonylContact O-C 3.39Å; Q499-C506 VanDerWaalsContact O-CA 3.26Å; Q499-C506 WeakPolarHBondContact O-CA 3.48Å; Q499-C506 VanDerWaalsContact O-CB 3.25Å; Q499-C506 WeakPolarHBondContact O-CB 3.44Å; Q499-T507 PolarHBondContact N-O 2.8Å; Q499-T507 PolarHBondContact O-N 3.14Å
500P94Very high93.5Very high53 Ų5335 Ų3534%0.34421%0.205SC..EExtended strand (participates in β ladder)trans-65.6133.4173.728.2-32.5000109.7A401 N466A401-P500 HydrophobicContact CB-CB 3.97Å; N466-P500 HydrophobicContact CB-CG 3.88Å; N466-P500 WeakPolarHBondContact O-CD 3.44Å
501V92.1Very high94Very high85 Ų8533.2 Ų33.252%0.51520%0.196SC..SBendtrans-92.6-43.4167.8173.30000108.3Q499 S505 T507Q499-V501 PolarHBondContact O-N 2.97Å; V501-S505 WeakPolarHBondContact CB-OG 3.23Å; V501-S505 PolarHBondContact N-O 3.49Å; V501-T507 WeakPolarHBondContact CG2-OG1 3.22Å
502D90.8Very high94.1Very high76 Ų7632.8 Ų32.841%0.40619%0.194SC..SBendtrans-149.3-165.7170.561.458.8000110.6S504 S505D502-S504 PolarHBondContact O-N 2.9Å; D502-S504 VanDerWaalsContact OD1-CA 3.28Å; D502-S504 WeakPolarHBondContact OD1-CA 3.42Å; D502-S504 WeakPolarHBondContact OD1-CB 3.4Å; D502-S504 PolarHBondContact OD1-N 2.84Å; D502-S504 PolarHBondContact OD1-OG 3.26Å; D502-S505 PolarHBondContact N-O 3.05Å; D502-S505 PolarHBondContact OD1-N 3.33Å; D502-S505 PolarHBondContact OD1-OG 3.38Å; D502-S505 PolarHBondContact OD2-OG 3.36Å
503S89.3Confident94.3Very high112 Ų11230.9 Ų30.978%0.78318%0.183SC*.SBendtrans-70.5-16-179.259.80000114.4P400P400-S503 WeakPolarHBondContact CG-O 3.35Å
504S91.8Very high93.6Very high69 Ų6931.2 Ų31.248%0.48318%0.184SC..SBendtrans-120.4-12.1-173.967.40000114.1G398 S399 D502G398-S504 CarbonylContact C-O 3.56Å; G398-S504 VanDerWaalsContact C-O 3.24Å; S399-S504 CarbonylContact C-O 3.24Å; S399-S504 WeakPolarHBondContact CA-O 3.21Å; S399-S504 PolarHBondContact N-O 2.92Å; D502-S504 PolarHBondContact O-N 2.9Å; D502-S504 VanDerWaalsContact OD1-CA 3.28Å; D502-S504 WeakPolarHBondContact OD1-CA 3.42Å; D502-S504 WeakPolarHBondContact OD1-CB 3.4Å; D502-S504 PolarHBondContact OD1-N 2.84Å; D502-S504 PolarHBondContact OD1-OG 3.26Å
505S94Very high92.6Very high21 Ų2131.8 Ų31.815%0.14719%0.188CC..  trans-135.7152.5-176.877.30000113V397 S399 V501 D502V397-S505 WeakPolarHBondContact O-CA 3.32Å; S399-S505 CarbonylContact O-C 3.14Å; S399-S505 WeakPolarHBondContact O-CA 3.36Å; V501-S505 WeakPolarHBondContact CB-OG 3.23Å; V501-S505 PolarHBondContact N-O 3.49Å; D502-S505 PolarHBondContact N-O 3.05Å; D502-S505 PolarHBondContact OD1-N 3.33Å; D502-S505 PolarHBondContact OD1-OG 3.38Å; D502-S505 PolarHBondContact OD2-OG 3.36Å
506C95.8Very high91.2Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-145158.8177.766.20000112.4V397 S399 A401 I498 Q499V397-C506 PolarHBondContact N-O 2.81Å; V397-C506 PolarHBondContact O-N 2.96Å; S399-C506 PolarHBondContact O-N 2.94Å; S399-C506 PolarHBondContact O-SG 3.23Å; A401-C506 HydrophobicContact CB-CB 3.85Å; I498-C506 HydrophobicContact CG2-CB 4.34Å; Q499-C506 CarbonylContact O-C 3.39Å; Q499-C506 VanDerWaalsContact O-CA 3.26Å; Q499-C506 WeakPolarHBondContact O-CA 3.48Å; Q499-C506 VanDerWaalsContact O-CB 3.25Å; Q499-C506 WeakPolarHBondContact O-CB 3.44Å
507T96.1Very high89.6Confident20 Ų2035 Ų3512%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-97.3128.4168.1-61.40000109E394 K395 Q396 I498 Q499 V501E394-T507 HydrophobicContact CG-CG2 3.48Å; E394-T507 VanDerWaalsContact CG-CG2 3.48Å; K395-T507 CarbonylContact O-C 3.53Å; K395-T507 WeakPolarHBondContact O-CA 3.4Å; Q396-T507 PolarHBondContact NE2-OG1 3.36Å; Q396-T507 PolarHBondContact OE1-OG1 2.88Å; I498-T507 WeakPolarHBondContact CA-O 3.12Å; Q499-T507 PolarHBondContact N-O 2.8Å; Q499-T507 PolarHBondContact O-N 3.14Å; V501-T507 WeakPolarHBondContact CG2-OG1 3.22Å
508V97.1Very high88.4Confident0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-115104.4176.1179.50000109.5K395 V397 A404 L408 F496 I498 I544K395-V508 HydrophobicContact CB-CB 4.37Å; K395-V508 WeakPolarHBondContact CB-O 3.48Å; K395-V508 WeakPolarHBondContact CE-O 3.39Å; K395-V508 PolarHBondContact N-O 2.83Å; K395-V508 PolarHBondContact NZ-O 3.28Å; K395-V508 PolarHBondContact O-N 2.72Å; V397-V508 HydrophobicContact CB-CG2 4.49Å; V397-V508 HydrophobicContact CG2-CB 4.23Å; V397-V508 HydrophobicContact CG2-CG2 3.76Å; A404-V508 HydrophobicContact CB-CG2 4.25Å; L408-V508 HydrophobicContact CD1-CG1 3.54Å; L408-V508 HydrophobicContact CD1-CG2 4.33Å; F496-V508 HydrophobicContact CD1-CG1 4.05Å; I498-V508 HydrophobicContact CG1-CG1 4.35Å; I498-V508 HydrophobicContact CG1-CG2 4.33Å; I498-V508 HydrophobicContact CG2-CG2 4.23Å; V508-I544 HydrophobicContact CG2-CD1 4.42Å
509A96.9Very high86.9Confident12 Ų1235.5 Ų35.510%0.09921%0.208CC..EExtended strand (participates in β ladder)trans-95.6120.5173.600000110.4K392 V393 F496 L497 L511K392-A509 HydrophobicContact CG-CB 4.41Å; V393-A509 WeakPolarHBondContact O-CA 3.35Å; F496-A509 CarbonylContact C-O 3.59Å; F496-A509 VanDerWaalsContact CA-O 3.29Å; F496-A509 WeakPolarHBondContact CA-O 3.42Å; L497-A509 HydrophobicContact CB-CB 4.38Å; L497-A509 PolarHBondContact N-O 2.91Å; L497-A509 PolarHBondContact O-N 2.92Å; A509-L511 HydrophobicContact CB-CD1 4.28Å
510Y96.3Very high85.4Confident27 Ų2731.8 Ų31.811%0.10619%0.193CC..EExtended strand (participates in β ladder)trans-97.6121.1167.9176-106.3000109.2K392 V393 L472 A494 G495 F496 N512K392-Y510 CarbonylContact C-O 3.56Å; K392-Y510 VanDerWaalsContact CA-O 3.3Å; K392-Y510 WeakPolarHBondContact CA-O 3.4Å; V393-Y510 PolarHBondContact N-O 2.73Å; V393-Y510 PolarHBondContact O-N 2.93Å; L472-Y510 HydrophobicContact CD2-CE2 4.43Å; A494-Y510 HydrophobicContact CB-CE2 4.39Å; G495-Y510 CarbonylContact O-C 3.59Å; G495-Y510 VanDerWaalsContact O-CA 3.29Å; G495-Y510 WeakPolarHBondContact O-CA 3.44Å; G495-Y510 WeakPolarHBondContact O-CD2 3.48Å; F496-Y510 AromaticContact CD1-CD2 3.81Å; F496-Y510 HydrophobicContact CD1-CD2 3.81Å; F496-Y510 HydrophobicContact CD1-CG 4.34Å; F496-Y510 HydrophobicContact CD2-CD2 4.43Å; F496-Y510 AromaticContact CE1-CD2 3.48Å; F496-Y510 HydrophobicContact CE1-CD2 3.48Å; F496-Y510 VanDerWaalsContact CE1-CD2 3.48Å; F496-Y510 HydrophobicContact CE1-CE2 4.39Å; F496-Y510 HydrophobicContact CE1-CG 4Å; F496-Y510 HydrophobicContact CE2-CD2 4.15Å; F496-Y510 HydrophobicContact CE2-CE2 4.42Å; F496-Y510 HydrophobicContact CG-CD2 4.28Å; F496-Y510 AromaticContact CZ-CD2 3.66Å; F496-Y510 HydrophobicContact CZ-CD2 3.66Å; F496-Y510 HydrophobicContact CZ-CE2 4.14Å; Y510-N512 HydrophobicContact CE1-CB 3.85Å; Y510-N512 PolarHBondContact OH-ND2 2.99Å
511L95.6Very high84.2Confident0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-107.5146.1175.5-61.693.3000110L360 L363 A364 W369 V391 K392 A494 G495 L497 A509L360-L511 HydrophobicContact CD1-CB 3.92Å; L360-L511 HydrophobicContact CD1-CD1 4.28Å; L363-L511 HydrophobicContact CD2-CB 4.08Å; L363-L511 HydrophobicContact CD2-CD2 4.47Å; L363-L511 HydrophobicContact CG-CD2 4.2Å; A364-L511 HydrophobicContact CB-CD2 3.76Å; W369-L511 HydrophobicContact CH2-CD2 4.29Å; W369-L511 HydrophobicContact CZ2-CD2 3.92Å; V391-L511 CarbonylContact O-C 3.58Å; V391-L511 WeakPolarHBondContact O-CA 3.12Å; K392-L511 HydrophobicContact CB-CD2 4.41Å; K392-L511 HydrophobicContact CB-CG 4.16Å; K392-L511 HydrophobicContact CD-CD2 4.33Å; K392-L511 HydrophobicContact CD-CG 4.42Å; K392-L511 HydrophobicContact CG-CD2 4.42Å; K392-L511 HydrophobicContact CG-CG 4.06Å; A494-L511 CarbonylContact C-O 3.47Å; A494-L511 WeakPolarHBondContact CA-O 3.26Å; A494-L511 WeakPolarHBondContact CB-O 3.38Å; G495-L511 PolarHBondContact N-O 3.38Å; G495-L511 PolarHBondContact O-N 3.47Å; L497-L511 HydrophobicContact CB-CD1 4.48Å; L497-L511 HydrophobicContact CD1-CD1 3.74Å; L497-L511 HydrophobicContact CG-CD1 3.82Å; A509-L511 HydrophobicContact CB-CD1 4.28Å
512N92.3Very high83.2Confident4 Ų427.5 Ų27.52%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-148.4117.3173.8-169.4-51.5000109.9S390 V391 A494 Y510 M514 I518 F522S390-N512 CarbonylContact C-O 3.56Å; S390-N512 VanDerWaalsContact CA-O 3.24Å; S390-N512 WeakPolarHBondContact CA-O 3.25Å; V391-N512 PolarHBondContact N-O 3.33Å; V391-N512 PolarHBondContact O-N 3.26Å; A494-N512 HydrophobicContact CB-CB 4.03Å; Y510-N512 HydrophobicContact CE1-CB 3.85Å; Y510-N512 PolarHBondContact OH-ND2 2.99Å; N512-M514 PolarHBondContact O-N 2.92Å; N512-M514 PolarHBondContact OD1-N 3.49Å; N512-I518 WeakPolarHBondContact ND2-CD1 3.47Å; N512-I518 WeakPolarHBondContact OD1-CD1 3.26Å; N512-F522 HydrophobicContact CB-CZ 4.11Å
513Q89.1Confident82Confident43 Ų4324.4 Ų24.420%0.20115%0.146CC..EExtended strand (participates in β ladder)trans-80.8107.6163.4-176178.79.600107.9L363 I492 C493 S515L363-Q513 HydrophobicContact CD2-CB 4Å; I492-Q513 HydrophobicContact CG2-CG 4.49Å; C493-Q513 HydrophobicContact CB-CB 4.25Å; C493-Q513 PolarHBondContact O-N 2.74Å; Q513-S515 PolarHBondContact O-N 3.39Å
514M78.4Confident80.7Confident11 Ų1119.8 Ų19.85%0.05412%0.116CC..  trans-66.4129.1-171.9-65.8168.6-127.800110.5I389 V391 N512 I518 L519 F522 I526I389-M514 HydrophobicContact CB-CE 4.13Å; I389-M514 HydrophobicContact CB-SD 4.32Å; I389-M514 HydrophobicContact CG2-CE 3.56Å; I389-M514 HydrophobicContact CG2-SD 4.26Å; I389-M514 VanDerWaalsContact O-CB 3.28Å; I389-M514 WeakPolarHBondContact O-CB 3.42Å; I389-M514 PolarHBondContact O-N 3.03Å; V391-M514 HydrophobicContact CB-CE 3.7Å; V391-M514 HydrophobicContact CG2-CE 3.19Å; N512-M514 PolarHBondContact O-N 2.92Å; N512-M514 PolarHBondContact OD1-N 3.49Å; M514-I518 HydrophobicContact CB-CG1 4.36Å; M514-L519 HydrophobicContact CB-CD1 4.28Å; M514-L519 HydrophobicContact CG-CD1 4.48Å; M514-L519 HydrophobicContact SD-CD1 3.43Å; M514-L519 WeakPolarHBondContact SD-CD1 3.47Å; M514-F522 HydrophobicContact CE-CB 4.03Å; M514-F522 HydrophobicContact CE-CD1 4.36Å; M514-F522 HydrophobicContact CE-CG 4.16Å; M514-F522 HydrophobicContact CG-CB 4.23Å; M514-F522 HydrophobicContact CG-CD2 3.73Å; M514-F522 HydrophobicContact CG-CE2 4.3Å; M514-F522 HydrophobicContact CG-CG 3.97Å; M514-F522 HydrophobicContact SD-CB 3.33Å; M514-F522 WeakPolarHBondContact SD-CB 3.48Å; M514-F522 HydrophobicContact SD-CD1 4.45Å; M514-F522 HydrophobicContact SD-CD2 4Å; M514-F522 HydrophobicContact SD-CG 3.69Å; M514-I526 HydrophobicContact CE-CD1 3.57Å; M514-I526 HydrophobicContact SD-CD1 3.96Å
515S73.2Confident79.6Confident11 Ų1116.8 Ų16.88%0.0779%0.094CC..  trans-85.1161.1159.873.90000109.9Q490 Q513 S517 I518 L519Q490-S515 VanDerWaalsContact O-CB 3.3Å; Q490-S515 WeakPolarHBondContact O-CB 3.37Å; Q490-S515 PolarHBondContact O-OG 2.91Å; Q513-S515 PolarHBondContact O-N 3.39Å; S515-S517 PolarHBondContact O-N 2.96Å; S515-S517 VanDerWaalsContact O-N 3.1Å; S515-S517 PolarHBondContact OG-N 3.12Å; S515-S517 PolarHBondContact OG-OG 2.82Å; S515-I518 WeakPolarHBondContact O-CG1 3.33Å; S515-I518 PolarHBondContact O-N 2.94Å; S515-I518 VanDerWaalsContact O-N 3.08Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 3.05Å
516D66.6Low78.3Confident66 Ų6616.1 Ų16.135%0.3539%0.089SC..THydrogen-bonded Turntrans-52.4-33.5173.4-67.6-26.2000112Y330 E337Y330-D516 WeakPolarHBondContact CE2-O 3.35Å; Y330-D516 PolarHBondContact OH-O 3.03Å; E337-D516 HydrophobicContact CG-CB 4.16Å
517S65Low76.5Confident7 Ų716.1 Ų16.15%0.0499%0.089CC..THydrogen-bonded Turntrans-69.7-32.3-178.872.80000113.5E337 K450 S489 Q490 S515E337-S517 VanDerWaalsContact OE1-CA 3.24Å; E337-S517 WeakPolarHBondContact OE1-CA 3.41Å; E337-S517 VanDerWaalsContact OE1-CB 3.23Å; E337-S517 WeakPolarHBondContact OE1-CB 3.16Å; E337-S517 PolarHBondContact OE1-N 2.84Å; K450-S517 PolarHBondContact NZ-O 3.42Å; S489-S517 WeakPolarHBondContact CB-OG 3.27Å; Q490-S517 PolarHBondContact N-OG 3.12Å; Q490-S517 VanDerWaalsContact N-OG 3.09Å; Q490-S517 PolarHBondContact O-OG 2.98Å; S515-S517 PolarHBondContact O-N 2.96Å; S515-S517 VanDerWaalsContact O-N 3.1Å; S515-S517 PolarHBondContact OG-N 3.12Å; S515-S517 PolarHBondContact OG-OG 2.82Å
518I70.2Confident74.8Confident14 Ų1416 Ų167%0.0729%0.091CC..THydrogen-bonded Turntrans-102.1-11.8-179.759.7173000112.7F452 N512 M514 S515 P520 Y521 F522F452-I518 HydrophobicContact CE1-CG2 3.78Å; F452-I518 HydrophobicContact CZ-CG2 3.73Å; N512-I518 WeakPolarHBondContact ND2-CD1 3.47Å; N512-I518 WeakPolarHBondContact OD1-CD1 3.26Å; M514-I518 HydrophobicContact CB-CG1 4.36Å; S515-I518 WeakPolarHBondContact O-CG1 3.33Å; S515-I518 PolarHBondContact O-N 2.94Å; S515-I518 VanDerWaalsContact O-N 3.08Å; I518-P520 VanDerWaalsContact C-N 3.35Å; I518-Y521 WeakPolarHBondContact O-CB 3.4Å; I518-Y521 PolarHBondContact O-N 3.42Å; I518-F522 HydrophobicContact CB-CD2 4.49Å; I518-F522 HydrophobicContact CB-CE2 4.35Å; I518-F522 HydrophobicContact CD1-CE2 3.98Å; I518-F522 HydrophobicContact CG1-CD2 4.47Å; I518-F522 HydrophobicContact CG1-CE2 4.34Å; I518-F522 WeakPolarHBondContact O-CD2 3.31Å; I518-F522 PolarHBondContact O-N 3.33Å
519L66.2Low73.2Confident19 Ų1921.7 Ų21.710%0.09911%0.113CC..Hα-helixtrans-55.1-35.4179.4-171.752000114.9Y330 M514 S515 Y521 F522 A523Y330-L519 HydrophobicContact CD1-CG 4.48Å; Y330-L519 HydrophobicContact CD2-CB 3.84Å; Y330-L519 HydrophobicContact CD2-CD2 3.1Å; Y330-L519 HydrophobicContact CD2-CG 3.46Å; Y330-L519 VanDerWaalsContact CD2-CG 3.46Å; Y330-L519 HydrophobicContact CE2-CB 3.66Å; Y330-L519 HydrophobicContact CE2-CD2 3.72Å; Y330-L519 HydrophobicContact CE2-CG 3.86Å; Y330-L519 HydrophobicContact CG-CB 4.39Å; Y330-L519 HydrophobicContact CG-CD2 3.75Å; Y330-L519 HydrophobicContact CG-CG 3.76Å; M514-L519 HydrophobicContact CB-CD1 4.28Å; M514-L519 HydrophobicContact CG-CD1 4.48Å; M514-L519 HydrophobicContact SD-CD1 3.43Å; M514-L519 WeakPolarHBondContact SD-CD1 3.47Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 3.05Å; L519-Y521 PolarHBondContact O-N 3.15Å; L519-F522 PolarHBondContact O-N 2.87Å; L519-A523 WeakPolarHBondContact O-CB 3.45Å; L519-A523 PolarHBondContact O-N 3.28Å
520P63.2Low71.8Confident18 Ų1823.1 Ų23.112%0.11712%0.122CC..Hα-helixtrans-59.1-31.8174.8-13.920.5000113.2Y330 I518Y330-P520 HydrophobicContact CE1-CB 4.07Å; Y330-P520 HydrophobicContact CE1-CG 3.53Å; Y330-P520 VanDerWaalsContact OH-CD 3.24Å; Y330-P520 WeakPolarHBondContact OH-CD 3.42Å; Y330-P520 WeakPolarHBondContact OH-CG 3.33Å; I518-P520 VanDerWaalsContact C-N 3.35Å
521Y67.5Low70.9Confident40 Ų4027.2 Ų27.216%0.15714%0.14CC..Hα-helixtrans-69.2-44.3179.9174.5-115.5000110.9H420 V444 I518 L519 N525 S532H420-Y521 AromaticContact CD2-CD2 3.66Å; H420-Y521 AromaticContact CD2-CE2 3.03Å; H420-Y521 WeakPolarHBondContact CD2-CE2 3.44Å; H420-Y521 AromaticContact CD2-CZ 3.52Å; H420-Y521 AromaticContact CE1-CE2 3.59Å; H420-Y521 AromaticContact CE1-CZ 3.61Å; H420-Y521 PolarHBondContact CE1-OH 3.22Å; H420-Y521 AromaticContact CG-CE2 3.76Å; H420-Y521 AromaticContact CG-CZ 3.75Å; H420-Y521 AromaticContact ND1-CZ 3.78Å; H420-Y521 PolarHBondContact ND1-OH 2.92Å; H420-Y521 AromaticContact NE2-CD2 3.91Å; H420-Y521 AromaticContact NE2-CE2 2.95Å; H420-Y521 WeakPolarHBondContact NE2-CE2 3.45Å; H420-Y521 AromaticContact NE2-CZ 3.47Å; H420-Y521 PolarHBondContact NE2-OH 2.88Å; V444-Y521 HydrophobicContact CG1-CD2 4.13Å; V444-Y521 HydrophobicContact CG2-CD2 4.33Å; I518-Y521 WeakPolarHBondContact O-CB 3.4Å; I518-Y521 PolarHBondContact O-N 3.42Å; L519-Y521 PolarHBondContact O-N 3.15Å; Y521-N525 PolarHBondContact O-ND2 2.76Å; Y521-S532 WeakPolarHBondContact CE2-OG 3.36Å
522F72.2Confident70.1Confident8 Ų827.8 Ų27.84%0.03514%0.144CC..Hα-helixtrans-79.3-32.4178.8-70.1-83.5000112.7V391 N512 M514 I518 L519 G524 N525 I526 I533V391-F522 HydrophobicContact CB-CD1 4.26Å; V391-F522 HydrophobicContact CB-CE1 4.39Å; V391-F522 HydrophobicContact CG1-CD1 4.32Å; V391-F522 HydrophobicContact CG1-CE1 4.23Å; V391-F522 HydrophobicContact CG2-CD1 4.34Å; N512-F522 HydrophobicContact CB-CZ 4.11Å; M514-F522 HydrophobicContact CE-CB 4.03Å; M514-F522 HydrophobicContact CE-CD1 4.36Å; M514-F522 HydrophobicContact CE-CG 4.16Å; M514-F522 HydrophobicContact CG-CB 4.23Å; M514-F522 HydrophobicContact CG-CD2 3.73Å; M514-F522 HydrophobicContact CG-CE2 4.3Å; M514-F522 HydrophobicContact CG-CG 3.97Å; M514-F522 HydrophobicContact SD-CB 3.33Å; M514-F522 WeakPolarHBondContact SD-CB 3.48Å; M514-F522 HydrophobicContact SD-CD1 4.45Å; M514-F522 HydrophobicContact SD-CD2 4Å; M514-F522 HydrophobicContact SD-CG 3.69Å; I518-F522 HydrophobicContact CB-CD2 4.49Å; I518-F522 HydrophobicContact CB-CE2 4.35Å; I518-F522 HydrophobicContact CD1-CE2 3.98Å; I518-F522 HydrophobicContact CG1-CD2 4.47Å; I518-F522 HydrophobicContact CG1-CE2 4.34Å; I518-F522 WeakPolarHBondContact O-CD2 3.31Å; I518-F522 PolarHBondContact O-N 3.33Å; L519-F522 PolarHBondContact O-N 2.87Å; F522-G524 VanDerWaalsContact C-N 3.31Å; F522-G524 PolarHBondContact O-N 3.42Å; F522-N525 PolarHBondContact O-N 2.95Å; F522-I526 HydrophobicContact CB-CD1 3.91Å; F522-I526 WeakPolarHBondContact O-CB 3.21Å; F522-I526 VanDerWaalsContact O-CG1 3.28Å; F522-I526 WeakPolarHBondContact O-CG1 3.42Å; F522-I526 PolarHBondContact O-N 3.39Å; F522-I533 HydrophobicContact CD1-CD1 3.41Å; F522-I533 VanDerWaalsContact CD1-CD1 3.41Å; F522-I533 HydrophobicContact CD1-CG1 4.3Å; F522-I533 HydrophobicContact CE1-CD1 3.82Å; F522-I533 HydrophobicContact CE1-CG1 4.36Å; F522-I533 HydrophobicContact CG-CD1 4.43Å
523A64.3Low69.8Low11 Ų1128 Ų289%0.09115%0.146CC..Hα-helixtrans-59.4-39.9-176.400000112.6L519 N525 G527L519-A523 WeakPolarHBondContact O-CB 3.45Å; L519-A523 PolarHBondContact O-N 3.28Å; A523-N525 VanDerWaalsContact C-N 3.34Å; A523-N525 PolarHBondContact O-N 3.46Å; A523-G527 WeakPolarHBondContact O-CA 3.25Å; A523-G527 PolarHBondContact O-N 3.23Å
524G63.8Low69.7Low14 Ų1427.3 Ų27.314%0.14414%0.142CC..Hα-helixtrans-60.5-42.6173.700000112.3F522 G528 W529 S530F522-G524 VanDerWaalsContact C-N 3.31Å; F522-G524 PolarHBondContact O-N 3.42Å; G524-G528 PolarHBondContact O-N 3.25Å; G524-W529 CarbonylContact O-C 3.4Å; G524-W529 WeakPolarHBondContact O-CA 3.36Å; G524-W529 VanDerWaalsContact O-CD1 3.28Å; G524-W529 PolarHBondContact O-N 2.97Å; G524-S530 PolarHBondContact O-N 2.84Å
525N68.2Low70.1Confident6 Ų632.6 Ų32.63%0.03217%0.167CC..Hα-helixtrans-75.1-47.6-179.5-67.1-84.3000112.1Y521 F522 A523 G527 G528 S530 K531 S532 I533Y521-N525 PolarHBondContact O-ND2 2.76Å; F522-N525 PolarHBondContact O-N 2.95Å; A523-N525 VanDerWaalsContact C-N 3.34Å; A523-N525 PolarHBondContact O-N 3.46Å; N525-G527 VanDerWaalsContact C-N 3.25Å; N525-G527 PolarHBondContact O-N 3.22Å; N525-G528 PolarHBondContact O-N 2.93Å; N525-S530 WeakPolarHBondContact CA-O 3.35Å; N525-S530 PolarHBondContact OD1-O 2.86Å; N525-S530 PolarHBondContact OD1-OG 3.19Å; N525-K531 VanDerWaalsContact OD1-C 3.32Å; N525-S532 PolarHBondContact ND2-OG 3.22Å; N525-S532 PolarHBondContact OD1-N 2.79Å; N525-S532 PolarHBondContact OD1-OG 3.4Å; N525-I533 HydrophobicContact CB-CB 4.18Å; N525-I533 HydrophobicContact CB-CD1 3.34Å; N525-I533 HydrophobicContact CB-CG1 3.72Å; N525-I533 VanDerWaalsContact CG-CG1 3.45Å; N525-I533 PolarHBondContact OD1-N 2.8Å
526I66.1Low71Confident8 Ų832.4 Ų32.44%0.04117%0.166CC..Hα-helixtrans-58.9-42.2177.3-66.2166.5000110.1R323 L326 T382 I389 V391 M514 F522 G528R323-I526 WeakPolarHBondContact CB-O 3.19Å; R323-I526 WeakPolarHBondContact CD-O 3.09Å; R323-I526 WeakPolarHBondContact CG-O 3.31Å; L326-I526 HydrophobicContact CB-CG2 3.97Å; L326-I526 HydrophobicContact CD1-CG2 4Å; T382-I526 HydrophobicContact CG2-CD1 4.44Å; T382-I526 HydrophobicContact CG2-CG1 4.24Å; I389-I526 HydrophobicContact CG2-CD1 4.38Å; V391-I526 HydrophobicContact CG2-CD1 3.95Å; V391-I526 HydrophobicContact CG2-CG1 4.21Å; M514-I526 HydrophobicContact CE-CD1 3.57Å; M514-I526 HydrophobicContact SD-CD1 3.96Å; F522-I526 HydrophobicContact CB-CD1 3.91Å; F522-I526 WeakPolarHBondContact O-CB 3.21Å; F522-I526 VanDerWaalsContact O-CG1 3.28Å; F522-I526 WeakPolarHBondContact O-CG1 3.42Å; F522-I526 PolarHBondContact O-N 3.39Å; I526-G528 VanDerWaalsContact C-N 3.3Å; I526-G528 PolarHBondContact O-N 3.49Å
527G58.4Low72.2Confident0 Ų029.5 Ų29.50%015%0.151CC..THydrogen-bonded Turntrans-810.2178.700000115.3I158 A523 N525 W529I158-G527 WeakPolarHBondContact CD1-O 3.19Å; A523-G527 WeakPolarHBondContact O-CA 3.25Å; A523-G527 PolarHBondContact O-N 3.23Å; N525-G527 VanDerWaalsContact C-N 3.25Å; N525-G527 PolarHBondContact O-N 3.22Å; G527-W529 VanDerWaalsContact C-NE1 3.35Å; G527-W529 VanDerWaalsContact CA-CD1 3.47Å; G527-W529 VanDerWaalsContact CA-NE1 3.28Å; G527-W529 VanDerWaalsContact O-CD1 3.25Å; G527-W529 PolarHBondContact O-NE1 2.91Å; G527-W529 VanDerWaalsContact O-NE1 3.14Å
528G60.4Low73.5Confident16 Ų1631 Ų3117%0.16516%0.164CC..THydrogen-bonded Turntrans74.818.7176.700000115.8G524 N525 I526G524-G528 PolarHBondContact O-N 3.25Å; N525-G528 PolarHBondContact O-N 2.93Å; I526-G528 VanDerWaalsContact C-N 3.3Å; I526-G528 PolarHBondContact O-N 3.49Å
529W62.9Low74.6Confident121 Ų12132.2 Ų32.246%0.45817%0.173SC..SBendtrans-98-10178.2-26.473.3000112.7T154 G524 G527T154-W529 HydrophobicContact CG2-CD2 4.03Å; T154-W529 HydrophobicContact CG2-CE3 3.73Å; T154-W529 HydrophobicContact CG2-CH2 3.04Å; T154-W529 HydrophobicContact CG2-CZ2 3.31Å; T154-W529 HydrophobicContact CG2-CZ3 3.27Å; T154-W529 WeakPolarHBondContact OG1-CH2 3.2Å; T154-W529 WeakPolarHBondContact OG1-CZ3 3.31Å; G524-W529 CarbonylContact O-C 3.4Å; G524-W529 WeakPolarHBondContact O-CA 3.36Å; G524-W529 VanDerWaalsContact O-CD1 3.28Å; G524-W529 PolarHBondContact O-N 2.97Å; G527-W529 VanDerWaalsContact C-NE1 3.35Å; G527-W529 VanDerWaalsContact CA-CD1 3.47Å; G527-W529 VanDerWaalsContact CA-NE1 3.28Å; G527-W529 VanDerWaalsContact O-CD1 3.25Å; G527-W529 PolarHBondContact O-NE1 2.91Å; G527-W529 VanDerWaalsContact O-NE1 3.14Å
530S67.8Low76Confident41 Ų4131.3 Ų31.329%0.28717%0.169SC..  trans-139151.5178.6-176.90000109.5G524 N525 S532G524-S530 PolarHBondContact O-N 2.84Å; N525-S530 WeakPolarHBondContact CA-O 3.35Å; N525-S530 PolarHBondContact OD1-O 2.86Å; N525-S530 PolarHBondContact OD1-OG 3.19Å; S530-S532 WeakPolarHBondContact OG-CB 3.4Å; S530-S532 PolarHBondContact OG-N 2.88Å; S530-S532 PolarHBondContact OG-OG 2.96Å
531K76.6Confident77.5Confident113 Ų11331 Ų3149%0.49117%0.166SC..  trans-116.416.9171.5-65.6-172.8177.7-179.10112.4E161 N525 I533 E534 E535E161-K531 VanDerWaalsContact OE1-CE 3.22Å; E161-K531 WeakPolarHBondContact OE1-CE 3.47Å; E161-K531 IonicContact OE1-NZ 3.04Å; E161-K531 PolarHBondContact OE1-NZ 2.91Å; N525-K531 VanDerWaalsContact OD1-C 3.32Å; K531-I533 VanDerWaalsContact C-N 3.26Å; K531-I533 PolarHBondContact O-N 3.48Å; K531-E534 VanDerWaalsContact C-OE2 3.26Å; K531-E534 VanDerWaalsContact CA-OE2 3.24Å; K531-E534 WeakPolarHBondContact CA-OE2 3.19Å; K531-E534 PolarHBondContact O-N 2.7Å; K531-E534 VanDerWaalsContact O-N 3.17Å; K531-E535 WeakPolarHBondContact O-CB 3.5Å; K531-E535 VanDerWaalsContact O-CG 3.3Å; K531-E535 WeakPolarHBondContact O-CG 3.35Å; K531-E535 PolarHBondContact O-N 2.91Å
532S80.8Confident78.8Confident12 Ų1235.6 Ų35.68%0.08419%0.187CC..Hα-helixtrans-64.1-28-173.572.30000113.1Y521 N525 S530 A536Y521-S532 WeakPolarHBondContact CE2-OG 3.36Å; N525-S532 PolarHBondContact ND2-OG 3.22Å; N525-S532 PolarHBondContact OD1-N 2.79Å; N525-S532 PolarHBondContact OD1-OG 3.4Å; S530-S532 WeakPolarHBondContact OG-CB 3.4Å; S530-S532 PolarHBondContact OG-N 2.88Å; S530-S532 PolarHBondContact OG-OG 2.96Å; S532-A536 WeakPolarHBondContact O-CB 3.48Å; S532-A536 PolarHBondContact O-N 3.38Å
533I85.4Confident79.9Confident10 Ų1037 Ų375%0.05119%0.193CC..Hα-helixtrans-69.6-46.2173.4-69.9174.7000110.3I380 V393 F522 N525 K531 E535 A536 A537I380-I533 HydrophobicContact CD1-CB 4.41Å; I380-I533 HydrophobicContact CD1-CG2 3.71Å; I380-I533 HydrophobicContact CG1-CG2 4.36Å; V393-I533 HydrophobicContact CG1-CG2 4.35Å; V393-I533 HydrophobicContact CG2-CG2 3.61Å; F522-I533 HydrophobicContact CD1-CD1 3.41Å; F522-I533 VanDerWaalsContact CD1-CD1 3.41Å; F522-I533 HydrophobicContact CD1-CG1 4.3Å; F522-I533 HydrophobicContact CE1-CD1 3.82Å; F522-I533 HydrophobicContact CE1-CG1 4.36Å; F522-I533 HydrophobicContact CG-CD1 4.43Å; N525-I533 HydrophobicContact CB-CB 4.18Å; N525-I533 HydrophobicContact CB-CD1 3.34Å; N525-I533 HydrophobicContact CB-CG1 3.72Å; N525-I533 VanDerWaalsContact CG-CG1 3.45Å; N525-I533 PolarHBondContact OD1-N 2.8Å; K531-I533 VanDerWaalsContact C-N 3.26Å; K531-I533 PolarHBondContact O-N 3.48Å; I533-E535 VanDerWaalsContact C-N 3.35Å; I533-A536 PolarHBondContact O-N 3.38Å; I533-A537 WeakPolarHBondContact O-CB 3.48Å; I533-A537 PolarHBondContact O-N 3.01Å
534E86.3Confident81.3Confident28 Ų2836.5 Ų36.513%0.13119%0.189CC..Hα-helixtrans-62.3-43.7177.6-65.783.8167.300111L375 I380 K531 A537 A538L375-E534 HydrophobicContact CD1-CB 4.06Å; L375-E534 HydrophobicContact CD1-CG 3.73Å; I380-E534 HydrophobicContact CD1-CG 3.96Å; K531-E534 VanDerWaalsContact C-OE2 3.26Å; K531-E534 VanDerWaalsContact CA-OE2 3.24Å; K531-E534 WeakPolarHBondContact CA-OE2 3.19Å; K531-E534 PolarHBondContact O-N 2.7Å; K531-E534 VanDerWaalsContact O-N 3.17Å; E534-A537 PolarHBondContact O-N 2.85Å; E534-A538 WeakPolarHBondContact O-CB 3.46Å; E534-A538 PolarHBondContact O-N 2.94Å
535E88Confident82.7Confident121 Ų12137.6 Ų37.657%0.56519%0.19SC*.Hα-helixtrans-63.7-47.6176.8-72.7169.4-174.500111.8K531 I533 A537 A538 S539K531-E535 WeakPolarHBondContact O-CB 3.5Å; K531-E535 VanDerWaalsContact O-CG 3.3Å; K531-E535 WeakPolarHBondContact O-CG 3.35Å; K531-E535 PolarHBondContact O-N 2.91Å; I533-E535 VanDerWaalsContact C-N 3.35Å; E535-A537 VanDerWaalsContact C-N 3.32Å; E535-A537 PolarHBondContact O-N 3.01Å; E535-A538 PolarHBondContact O-N 3.12Å; E535-S539 VanDerWaalsContact O-CB 3.31Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 2.81Å
536A90.3Very high83.8Confident8 Ų841.8 Ų41.87%0.06621%0.213CC..Hα-helixtrans-63.3-39176.200000111.7S532 I533 S539 C540S532-A536 WeakPolarHBondContact O-CB 3.48Å; S532-A536 PolarHBondContact O-N 3.38Å; I533-A536 PolarHBondContact O-N 3.38Å; A536-S539 PolarHBondContact O-N 3.13Å; A536-C540 VanDerWaalsContact O-CB 3.3Å; A536-C540 WeakPolarHBondContact O-CB 3.23Å; A536-C540 PolarHBondContact O-N 2.82Å
537A92.5Very high84.6Confident5 Ų542.3 Ų42.34%0.04122%0.218CC..Hα-helixtrans-65.8-43.6176.100000112.1I378 V393 K395 I533 E534 E535 C540 I541I378-A537 HydrophobicContact CD1-CB 3.84Å; I378-A537 HydrophobicContact CG1-CB 4.27Å; I378-A537 HydrophobicContact CG2-CB 4.1Å; V393-A537 HydrophobicContact CG1-CB 3.87Å; K395-A537 HydrophobicContact CD-CB 3.93Å; K395-A537 HydrophobicContact CG-CB 4.19Å; I533-A537 WeakPolarHBondContact O-CB 3.48Å; I533-A537 PolarHBondContact O-N 3.01Å; E534-A537 PolarHBondContact O-N 2.85Å; E535-A537 VanDerWaalsContact C-N 3.32Å; E535-A537 PolarHBondContact O-N 3.01Å; A537-C540 WeakPolarHBondContact O-CB 3.17Å; A537-C540 PolarHBondContact O-N 2.86Å; A537-I541 WeakPolarHBondContact O-CG1 3.4Å; A537-I541 PolarHBondContact O-N 3.49Å
538A92.7Very high85.1Confident37 Ų3744.5 Ų44.531%0.30623%0.232SC..Hα-helixtrans-65.1-40.1175.700000112.1I378 E534 E535 I541 K542I378-A538 HydrophobicContact CD1-CB 4.24Å; E534-A538 WeakPolarHBondContact O-CB 3.46Å; E534-A538 PolarHBondContact O-N 2.94Å; E535-A538 PolarHBondContact O-N 3.12Å; A538-I541 PolarHBondContact O-N 3.14Å; A538-K542 WeakPolarHBondContact O-CG 3.28Å; A538-K542 PolarHBondContact O-N 3.2Å; A538-K542 VanDerWaalsContact O-N 3.09Å
539S93.7Very high85.2Confident40 Ų4051.1 Ų51.128%0.2826%0.258SS..Hα-helixtrans-63-42.5174.4-171.90000111.7W417 E535 A536 I541 K542 F543W417-S539 WeakPolarHBondContact O-CB 3.38Å; W417-S539 PolarHBondContact O-OG 2.91Å; E535-S539 VanDerWaalsContact O-CB 3.31Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 2.81Å; A536-S539 PolarHBondContact O-N 3.13Å; S539-I541 PolarHBondContact O-N 3.14Å; S539-K542 PolarHBondContact O-N 3.42Å; S539-F543 WeakPolarHBondContact O-CB 3.33Å; S539-F543 PolarHBondContact O-N 3.01Å
540C95Very high85Confident1 Ų152.4 Ų52.41%0.00727%0.274CS..Hα-helixtrans-58.6-46.8173.9-173.10000112.2K395 W417 A536 A537 K542 F543 I544K395-C540 HydrophobicContact CD-CB 4.27Å; W417-C540 HydrophobicContact CD2-CB 4.1Å; W417-C540 HydrophobicContact CE3-CB 3.49Å; W417-C540 VanDerWaalsContact CE3-CB 3.49Å; W417-C540 HydrophobicContact CH2-CB 4.21Å; W417-C540 HydrophobicContact CZ3-CB 3.57Å; A536-C540 VanDerWaalsContact O-CB 3.3Å; A536-C540 WeakPolarHBondContact O-CB 3.23Å; A536-C540 PolarHBondContact O-N 2.82Å; A537-C540 WeakPolarHBondContact O-CB 3.17Å; A537-C540 PolarHBondContact O-N 2.86Å; C540-K542 PolarHBondContact O-N 3.36Å; C540-F543 PolarHBondContact O-N 3.14Å; C540-I544 WeakPolarHBondContact O-CG1 3.43Å; C540-I544 PolarHBondContact O-N 3.2Å; C540-I544 VanDerWaalsContact O-N 3.08Å
541I94.7Very high83.9Confident10 Ų1052.7 Ų52.75%0.05128%0.283CS..Hα-helixtrans-57.2-50.6176.5-67.4165.2000110K377 I378 K395 V397 A537 A538 S539 F543 I544 E545K377-I541 HydrophobicContact CB-CD1 4.03Å; K377-I541 HydrophobicContact CD-CG2 4.41Å; I378-I541 HydrophobicContact CD1-CD1 4.17Å; I378-I541 HydrophobicContact CG1-CD1 3.78Å; K395-I541 HydrophobicContact CB-CD1 4.1Å; K395-I541 HydrophobicContact CB-CG1 4Å; K395-I541 HydrophobicContact CD-CG1 4.18Å; K395-I541 HydrophobicContact CG-CD1 4.21Å; K395-I541 HydrophobicContact CG-CG1 4.23Å; V397-I541 HydrophobicContact CG2-CG1 4.23Å; A537-I541 WeakPolarHBondContact O-CG1 3.4Å; A537-I541 PolarHBondContact O-N 3.49Å; A538-I541 PolarHBondContact O-N 3.14Å; S539-I541 PolarHBondContact O-N 3.14Å; I541-F543 PolarHBondContact O-N 3.39Å; I541-I544 PolarHBondContact O-N 3.18Å; I541-E545 HydrophobicContact CG2-CG 4.26Å; I541-E545 WeakPolarHBondContact O-CB 3.38Å; I541-E545 WeakPolarHBondContact O-CG 3.43Å; I541-E545 PolarHBondContact O-N 3.12Å
542K94.1Very high82.5Confident138 Ų13852.2 Ų52.260%0.629%0.286SS*.Hα-helixtrans-60-43.3179.1-72.2177.6-179.7-179.90112.4A538 S539 C540 I544 E545 N546A538-K542 WeakPolarHBondContact O-CG 3.28Å; A538-K542 PolarHBondContact O-N 3.2Å; A538-K542 VanDerWaalsContact O-N 3.09Å; S539-K542 PolarHBondContact O-N 3.42Å; C540-K542 PolarHBondContact O-N 3.36Å; K542-I544 VanDerWaalsContact C-N 3.35Å; K542-I544 PolarHBondContact O-N 2.92Å; K542-E545 PolarHBondContact O-N 2.67Å; K542-N546 WeakPolarHBondContact O-CB 3.41Å; K542-N546 PolarHBondContact O-N 2.93Å; K542-N546 PolarHBondContact O-ND2 3.39Å; K542-N546 PolarHBondContact O-OD1 2.79Å
543F95.2Very high80.6Confident37 Ų3761.3 Ų61.316%0.16232%0.323CS..Hα-helixtrans-59.2-45.6178.9172.2-106.7000112L407 K413 L416 W417 S539 C540 I541 A547L407-F543 HydrophobicContact CB-CE1 4.02Å; L407-F543 HydrophobicContact CD2-CE1 4.34Å; L407-F543 HydrophobicContact CD2-CZ 4.24Å; K413-F543 HydrophobicContact CB-CZ 3.98Å; K413-F543 HydrophobicContact CD-CZ 4.31Å; L416-F543 HydrophobicContact CB-CD2 4.47Å; L416-F543 HydrophobicContact CB-CE2 4.14Å; L416-F543 HydrophobicContact CD1-CE2 4.03Å; W417-F543 HydrophobicContact CB-CB 3.67Å; W417-F543 HydrophobicContact CB-CD1 4.44Å; W417-F543 HydrophobicContact CB-CD2 4.32Å; W417-F543 HydrophobicContact CB-CG 3.9Å; W417-F543 AromaticContact CD1-CD1 3.37Å; W417-F543 AromaticContact CD1-CE1 3.64Å; W417-F543 AromaticContact CD1-CG 3.64Å; W417-F543 HydrophobicContact CG-CB 4.07Å; W417-F543 HydrophobicContact CG-CD1 4Å; W417-F543 AromaticContact CG-CG 3.97Å; W417-F543 HydrophobicContact CG-CG 3.97Å; W417-F543 AromaticContact NE1-CD1 3.89Å; W417-F543 AromaticContact NE1-CE1 3.97Å; S539-F543 WeakPolarHBondContact O-CB 3.33Å; S539-F543 PolarHBondContact O-N 3.01Å; C540-F543 PolarHBondContact O-N 3.14Å; I541-F543 PolarHBondContact O-N 3.39Å; F543-A547 PolarHBondContact O-N 3.38Å
544I94.2Very high78.1Confident0 Ų065.9 Ų65.90%036%0.357CS..Hα-helixtrans-69.8-47.4179.4-60.1164.4000110.7V397 A404 L407 L408 V508 C540 I541 K542 N546 A547 T548V397-I544 HydrophobicContact CG1-CB 3.93Å; V397-I544 HydrophobicContact CG1-CD1 4.38Å; V397-I544 HydrophobicContact CG1-CG2 3.65Å; V397-I544 HydrophobicContact CG2-CD1 4.45Å; A404-I544 HydrophobicContact CB-CD1 4.4Å; A404-I544 HydrophobicContact CB-CG2 3.97Å; L407-I544 HydrophobicContact CD1-CG2 4.32Å; L408-I544 HydrophobicContact CD1-CD1 3.92Å; L408-I544 HydrophobicContact CD2-CD1 4.21Å; L408-I544 HydrophobicContact CG-CD1 4.16Å; V508-I544 HydrophobicContact CG2-CD1 4.42Å; C540-I544 WeakPolarHBondContact O-CG1 3.43Å; C540-I544 PolarHBondContact O-N 3.2Å; C540-I544 VanDerWaalsContact O-N 3.08Å; I541-I544 PolarHBondContact O-N 3.18Å; K542-I544 VanDerWaalsContact C-N 3.35Å; K542-I544 PolarHBondContact O-N 2.92Å; I544-N546 PolarHBondContact O-N 3.49Å; I544-A547 PolarHBondContact O-N 3.44Å; I544-T548 PolarHBondContact O-N 3.42Å; I544-T548 PolarHBondContact O-OG1 2.74Å
545E93Very high75.6Confident37 Ų3769.7 Ų69.717%0.17338%0.382CS..Hα-helixtrans-62-42.9-178.7-70.8179169.600111K377 V397 G398 I541 K542 A547 T548 H549K377-E545 IonicContact NZ-OE1 3.92Å; K377-E545 PolarHBondContact NZ-OE1 3.17Å; K377-E545 IonicContact NZ-OE2 2.89Å; K377-E545 PolarHBondContact NZ-OE2 3.47Å; V397-E545 HydrophobicContact CG1-CG 3.98Å; G398-E545 PolarHBondContact N-OE1 3.27Å; I541-E545 HydrophobicContact CG2-CG 4.26Å; I541-E545 WeakPolarHBondContact O-CB 3.38Å; I541-E545 WeakPolarHBondContact O-CG 3.43Å; I541-E545 PolarHBondContact O-N 3.12Å; K542-E545 PolarHBondContact O-N 2.67Å; E545-A547 PolarHBondContact O-N 2.81Å; E545-T548 WeakPolarHBondContact O-CB 3.42Å; E545-T548 PolarHBondContact O-N 3.39Å; E545-T548 VanDerWaalsContact O-N 3.14Å; E545-T548 PolarHBondContact O-OG1 2.97Å; E545-H549 PolarHBondContact O-CD2 2.9Å; E545-H549 PolarHBondContact O-N 3.18Å
546N90.9Very high73.2Confident95 Ų9571.3 Ų71.351%0.50839%0.393SS..Hα-helixtrans-62.7-41.7178.5-71.9-7.9000113.4K542 I544 T548 H549 D550K542-N546 WeakPolarHBondContact O-CB 3.41Å; K542-N546 PolarHBondContact O-N 2.93Å; K542-N546 PolarHBondContact O-ND2 3.39Å; K542-N546 PolarHBondContact O-OD1 2.79Å; I544-N546 PolarHBondContact O-N 3.49Å; N546-T548 PolarHBondContact O-N 3.1Å; N546-T548 VanDerWaalsContact O-N 3.14Å; N546-H549 PolarHBondContact O-N 2.91Å; N546-D550 PolarHBondContact O-N 3.41Å; N546-D550 VanDerWaalsContact O-N 3.16Å
547A84.8Confident72.3Confident19 Ų1974.5 Ų74.516%0.15741%0.41CS..Hα-helixtrans-61.9-23.2177.400000113.1L407 F543 I544 E545L407-A547 HydrophobicContact CD1-CB 3.53Å; L407-A547 HydrophobicContact CD2-CB 4.25Å; F543-A547 PolarHBondContact O-N 3.38Å; I544-A547 PolarHBondContact O-N 3.44Å; E545-A547 PolarHBondContact O-N 2.81Å
548T69Low71.3Confident46 Ų4678.2 Ų78.228%0.28243%0.429SS..Hα-helixtrans-78.8-28.2175-2.50000112.8S399 V403 I544 E545 N546S399-T548 WeakPolarHBondContact OG-CG2 3.46Å; S399-T548 PolarHBondContact OG-OG1 3.18Å; V403-T548 HydrophobicContact CG1-CG2 4.42Å; I544-T548 PolarHBondContact O-N 3.42Å; I544-T548 PolarHBondContact O-OG1 2.74Å; E545-T548 WeakPolarHBondContact O-CB 3.42Å; E545-T548 PolarHBondContact O-N 3.39Å; E545-T548 VanDerWaalsContact O-N 3.14Å; E545-T548 PolarHBondContact O-OG1 2.97Å; N546-T548 PolarHBondContact O-N 3.1Å; N546-T548 VanDerWaalsContact O-N 3.14Å
549H62.1Low70.1Confident155 Ų15580.4 Ų80.472%0.71844%0.436SS*.Hα-helixtrans-79.4-34.9177.4-72.6-66.9000112.6E545 N546 G551E545-H549 PolarHBondContact O-CD2 2.9Å; E545-H549 PolarHBondContact O-N 3.18Å; N546-H549 PolarHBondContact O-N 2.91Å; H549-G551 PolarHBondContact O-N 3.27Å
550D59.1Low68.7Low147 Ų14782.8 Ų82.879%0.78645%0.445SS*.THydrogen-bonded Turntrans-78.818.8-176.7-74.7-22.3000115.1N546N546-D550 PolarHBondContact O-N 3.41Å; N546-D550 VanDerWaalsContact O-N 3.16Å
551G44.5Very low67Low47 Ų4787.9 Ų87.949%0.48547%0.472SS..THydrogen-bonded Turntrans78.528.5160.200000116.9H549 K553H549-G551 PolarHBondContact O-N 3.27Å; G551-K553 PolarHBondContact O-N 3.04Å
552L47.1Very low65.2Low104 Ų10493.1 Ų93.155%0.54550%0.501SS..  trans-68.426.7168.3-110.3156.4000114.2S554 V555L552-S554 PolarHBondContact O-N 2.93Å; L552-V555 HydrophobicContact CD2-CB 4.3Å
553K39.9Very low63.1Low202 Ų20289.9 Ų89.988%0.87849%0.493SS*.THydrogen-bonded Turntrans-72.3-3177.1-80.2-173.2177.2178.40114G551G551-K553 PolarHBondContact O-N 3.04Å
554S33.5Very low60.7Low107 Ų10794 Ų9475%0.74852%0.519SS*.THydrogen-bonded Turntrans-126.510.7-174.668.90000116.7L552L552-S554 PolarHBondContact O-N 2.93Å
555V34.1Very low57.9Low108 Ų108101.8 Ų101.866%0.65556%0.562SS**  trans-142.267.1173.3-168.80000109.3L552L552-V555 HydrophobicContact CD2-CB 4.3Å
556L36.6Very low54.7Low155 Ų155107.7 Ų107.781%0.81260%0.598SS**  trans-171.90163.2-99.1172.3000111H406H406-L556 HydrophobicContact CB-CD1 4.11Å

Retrieved 556 of 556 residues in 1200.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).