A0A061AJC4_CAEEL Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AJC4, Species CAEEL (Caenorhabditis elegans), Gene zim-3, Length 575 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low61.2Low206 Ų206122.8 Ų122.8100%1.01564%0.644SS**  01250-58.4-178.278.800105.7
2T40.3Very low62.9Low94 Ų94116.8 Ų116.858%0.57762%0.615SS**  trans-79.2167175.148.10000109.5D4T2-D4 WeakPolarHBondContact CB-OD2 3.43Å; T2-D4 PolarHBondContact O-N 3.33Å; T2-D4 PolarHBondContact OG1-OD2 3.14Å; T2-D4 VanDerWaalsContact OG1-OD2 3.09Å
3C53.2Low64.6Low95 Ų95113.2 Ų113.264%0.64260%0.597SS**G310 helixtrans-63.8-22.5-173.5-152.10000112.8D5 W6C3-D5 PolarHBondContact O-N 2.99Å; C3-D5 VanDerWaalsContact O-N 3.16Å; C3-W6 PolarHBondContact O-N 2.89Å
4D55.7Low66Low128 Ų128109.1 Ų109.168%0.68458%0.575SS**G310 helixtrans-68.2-15.4-168.6-40.4-66.2000114.6T2 W6T2-D4 WeakPolarHBondContact CB-OD2 3.43Å; T2-D4 PolarHBondContact O-N 3.33Å; T2-D4 PolarHBondContact OG1-OD2 3.14Å; T2-D4 VanDerWaalsContact OG1-OD2 3.09Å; D4-W6 VanDerWaalsContact C-N 3.3Å; D4-W6 PolarHBondContact O-N 3.1Å
5D59Low67.1Low101 Ų101115 Ų11554%0.5459%0.588SS.*G310 helixtrans-78.5-9.5178.4-70.4-32.2000113.5C3 N7C3-D5 PolarHBondContact O-N 2.99Å; C3-D5 VanDerWaalsContact O-N 3.16Å; D5-N7 PolarHBondContact O-N 2.92Å
6W60.6Low68.2Low121 Ų121113.3 Ų113.346%0.45861%0.608SS.*  trans-95.372.1-171.6-67.459.1000111.8C3 D4 S8 W42C3-W6 PolarHBondContact O-N 2.89Å; D4-W6 VanDerWaalsContact C-N 3.3Å; D4-W6 PolarHBondContact O-N 3.1Å; W6-S8 PolarHBondContact O-N 3.22Å; W6-W42 HydrophobicContact CH2-CB 4.21Å; W6-W42 HydrophobicContact CZ3-CB 4.3Å
7N59.4Low69.4Low151 Ų151112.2 Ų112.281%0.80760%0.597SS**  trans-60.6-2.4-175.4-77.7-43.4000116.9D5D5-N7 PolarHBondContact O-N 2.92Å
8S71.4Confident70.5Confident103 Ų103109.9 Ų109.972%0.7259%0.588SS**  trans-152.3118.3176.8500000112.1W6W6-S8 PolarHBondContact O-N 3.22Å
9F74.6Confident71.4Confident158 Ų158106.8 Ų106.869%0.69357%0.57SS**  trans-110.5149.6169.462.8-89.6000110.3
10I76.4Confident72.3Confident85 Ų85108 Ų10844%0.43657%0.572SS.*  trans-112.1115.8173.1-58.4176.3000107.3V12 T157I10-V12 HydrophobicContact CG2-CG2 4.05Å; I10-T157 HydrophobicContact CG2-CG2 4.33Å
11Q80.8Confident73.2Confident109 Ų109103.5 Ų103.551%0.50955%0.552SS.*  trans-81.9120171.9-175.8175.5-11.100109.8N13Q11-N13 WeakPolarHBondContact CG-OD1 3.3Å; Q11-N13 PolarHBondContact NE2-ND2 3.47Å; Q11-N13 PolarHBondContact NE2-OD1 3.32Å
12V82.3Confident75.5Confident50 Ų5094.4 Ų94.430%0.30351%0.507SS..  trans-112.1108.5175.1-176.80000108.3I10 I14I10-V12 HydrophobicContact CG2-CG2 4.05Å; V12-I14 HydrophobicContact CG1-CG1 4.2Å
13N84.3Confident77.9Confident71 Ų7196.2 Ų96.238%0.3851%0.509SS..  trans-90.3116.8179.3-69.1-25.4000110.2Q11 Y15Q11-N13 WeakPolarHBondContact CG-OD1 3.3Å; Q11-N13 PolarHBondContact NE2-ND2 3.47Å; Q11-N13 PolarHBondContact NE2-OD1 3.32Å; N13-Y15 HydrophobicContact CB-CE2 3.96Å
14I84.8Confident79.8Confident56 Ų5699.6 Ų99.629%0.28752%0.515SS..  trans-108121.7179.9-55.3176.6000107.6V12 L22 L29V12-I14 HydrophobicContact CG1-CG1 4.2Å; I14-L22 HydrophobicContact CD1-CD1 3.75Å; I14-L22 HydrophobicContact CG2-CD1 3.94Å; I14-L29 HydrophobicContact CD1-CD2 3.91Å
15Y82.4Confident81.5Confident197 Ų19798.3 Ų98.377%0.77351%0.505SS*.  trans-105.5132.8-175.7-62.7-78.4000111.6N13 K17N13-Y15 HydrophobicContact CB-CE2 3.96Å; Y15-K17 VanDerWaalsContact C-N 3.31Å; Y15-K17 PolarHBondContact O-N 2.8Å
16G84.8Confident83.2Confident88 Ų8896.6 Ų96.691%0.90751%0.511SS*.SBendtrans77.24.3171.200000116.3
17K87.8Confident84.6Confident94 Ų9493.2 Ų93.241%0.40950%0.504SS..  trans-142.3140173.5-65.9-177.1-179.5174.70109.9Y15 L22Y15-K17 VanDerWaalsContact C-N 3.31Å; Y15-K17 PolarHBondContact O-N 2.8Å; K17-L22 HydrophobicContact CB-CD2 4.38Å; K17-L22 HydrophobicContact CB-CG 4.41Å; K17-L22 HydrophobicContact CD-CD2 3.88Å
18T89.3Confident86.2Confident71 Ų7189.1 Ų89.144%0.43648%0.484SS..  trans-75.1166.9167.656.20000110.5E20 G21 L22 E45T18-E20 VanDerWaalsContact C-N 3.31Å; T18-E20 PolarHBondContact O-N 2.99Å; T18-G21 PolarHBondContact O-N 3.39Å; T18-G21 VanDerWaalsContact O-N 3.15Å; T18-G21 PolarHBondContact OG1-N 2.85Å; T18-G21 VanDerWaalsContact OG1-N 3.16Å; T18-L22 PolarHBondContact O-N 3.18Å; T18-E45 WeakPolarHBondContact CA-OE1 3.48Å; T18-E45 WeakPolarHBondContact CB-OE1 3.19Å
19I88.2Confident87.1Confident51 Ų5185.1 Ų85.126%0.26246%0.455SS..Hα-helixtrans-59.9-43.8175.4-58.5-177.5000110.7G21 L22 Q23 I43 E45I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 2.8Å; I19-L22 WeakPolarHBondContact O-CB 3.42Å; I19-L22 PolarHBondContact O-N 2.76Å; I19-L22 VanDerWaalsContact O-N 3.15Å; I19-Q23 PolarHBondContact O-N 3.31Å; I19-Q23 VanDerWaalsContact O-N 3.15Å; I19-I43 HydrophobicContact CD1-CG2 3.72Å; I19-E45 HydrophobicContact CD1-CB 3.85Å; I19-E45 HydrophobicContact CD1-CG 4.28Å; I19-E45 HydrophobicContact CG1-CB 4.47Å; I19-E45 HydrophobicContact CG1-CG 4.4Å; I19-E45 PolarHBondContact N-OE1 2.87Å
20E89Confident87.8Confident131 Ų13183.1 Ų83.161%0.61245%0.447SS*.Hα-helixtrans-58.8-40.3174.4-61.1-177.1164.400112.4T18 L22 Q23 Q24T18-E20 VanDerWaalsContact C-N 3.31Å; T18-E20 PolarHBondContact O-N 2.99Å; E20-L22 PolarHBondContact O-N 2.83Å; E20-Q23 PolarHBondContact O-N 3.08Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; E20-Q24 WeakPolarHBondContact O-CG 3.44Å; E20-Q24 PolarHBondContact O-N 3.19Å
21G91.8Very high88.4Confident13 Ų1381.9 Ų81.913%0.13445%0.447CS..Hα-helixtrans-67-21.8178.700000114.1T18 I19 Q25T18-G21 PolarHBondContact O-N 3.39Å; T18-G21 VanDerWaalsContact O-N 3.15Å; T18-G21 PolarHBondContact OG1-N 2.85Å; T18-G21 VanDerWaalsContact OG1-N 3.16Å; I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 2.8Å; G21-Q25 WeakPolarHBondContact O-CG 3.29Å; G21-Q25 PolarHBondContact O-NE2 2.73Å; G21-Q25 VanDerWaalsContact O-NE2 3.14Å
22L90.4Very high88.9Confident16 Ų1679.9 Ų79.98%0.08444%0.439CS..Hα-helixtrans-79.8-41.2168.9-70.5177.4000111.7I14 K17 T18 I19 E20 Q24 Q25 G26 V27I14-L22 HydrophobicContact CD1-CD1 3.75Å; I14-L22 HydrophobicContact CG2-CD1 3.94Å; K17-L22 HydrophobicContact CB-CD2 4.38Å; K17-L22 HydrophobicContact CB-CG 4.41Å; K17-L22 HydrophobicContact CD-CD2 3.88Å; T18-L22 PolarHBondContact O-N 3.18Å; I19-L22 WeakPolarHBondContact O-CB 3.42Å; I19-L22 PolarHBondContact O-N 2.76Å; I19-L22 VanDerWaalsContact O-N 3.15Å; E20-L22 PolarHBondContact O-N 2.83Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.86Å; L22-Q25 CarbonylContact O-C 3.53Å; L22-Q25 WeakPolarHBondContact O-CA 3.22Å; L22-Q25 WeakPolarHBondContact O-CB 3.4Å; L22-Q25 PolarHBondContact O-N 2.73Å; L22-G26 PolarHBondContact O-N 3.29Å; L22-V27 CarbonylContact C-O 3.5Å; L22-V27 HydrophobicContact CB-CB 4.21Å; L22-V27 PolarHBondContact O-N 3.24Å
23Q90.3Very high89.3Confident132 Ų13278.7 Ų78.762%0.61743%0.431SS*.Hα-helixtrans-61.8-39.6177.2-171.5177.31.700111.9I19 E20 Q25 G26I19-Q23 PolarHBondContact O-N 3.31Å; I19-Q23 VanDerWaalsContact O-N 3.15Å; E20-Q23 PolarHBondContact O-N 3.08Å; E20-Q23 VanDerWaalsContact O-N 3.14Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q23-G26 PolarHBondContact O-N 3.19Å
24Q92.9Very high89.5Confident165 Ų16579 Ų7977%0.77143%0.432SS*.THydrogen-bonded Turntrans-62.1-19.6172.9-71.2175.810.100113.7E20 L22E20-Q24 WeakPolarHBondContact O-CG 3.44Å; E20-Q24 PolarHBondContact O-N 3.19Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.86Å
25Q91.8Very high89.8Confident102 Ų10283.1 Ų83.148%0.47746%0.455SS..THydrogen-bonded Turntrans-97.813.2175.7-68.6159.819.500112.3G21 L22 Q23 V27G21-Q25 WeakPolarHBondContact O-CG 3.29Å; G21-Q25 PolarHBondContact O-NE2 2.73Å; G21-Q25 VanDerWaalsContact O-NE2 3.14Å; L22-Q25 CarbonylContact O-C 3.53Å; L22-Q25 WeakPolarHBondContact O-CA 3.22Å; L22-Q25 WeakPolarHBondContact O-CB 3.4Å; L22-Q25 PolarHBondContact O-N 2.73Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q25-V27 PolarHBondContact O-N 3.25Å
26G93.5Very high90.1Very high64 Ų6479.6 Ų79.666%0.6645%0.448SS*.THydrogen-bonded Turntrans75.92.9-177.400000114.6L22 Q23 V28L22-G26 PolarHBondContact O-N 3.29Å; Q23-G26 PolarHBondContact O-N 3.19Å; G26-V28 PolarHBondContact O-N 3.2Å
27V91.5Very high90.2Very high51 Ų5178.1 Ų78.131%0.30943%0.433SS..  trans-89.389.4-179-175.70000109.8L22 Q25 L29L22-V27 CarbonylContact C-O 3.5Å; L22-V27 HydrophobicContact CB-CB 4.21Å; L22-V27 PolarHBondContact O-N 3.24Å; Q25-V27 PolarHBondContact O-N 3.25Å; V27-L29 PolarHBondContact O-N 3.28Å
28V92.1Very high90Very high64 Ų6475.4 Ų75.439%0.38843%0.425SS..  trans-80.1101.5172.8-174.50000109.3G26 E30 S31 L32G26-V28 PolarHBondContact O-N 3.2Å; V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 HydrophobicContact CG1-CB 4.28Å; V28-E30 PolarHBondContact O-N 2.86Å; V28-S31 WeakPolarHBondContact CG1-OG 3.2Å; V28-S31 WeakPolarHBondContact O-CB 3.49Å; V28-S31 PolarHBondContact O-N 3.28Å; V28-S31 VanDerWaalsContact O-N 3.1Å; V28-L32 PolarHBondContact O-N 3.14Å; V28-L32 VanDerWaalsContact O-N 3.15Å
29L90Very high89.5Confident20 Ų2076.8 Ų76.811%0.10544%0.438CS..Hα-helixtrans-59.8-34-175.8-175.660000112.8I14 V27 L32 L33 I43I14-L29 HydrophobicContact CD1-CD2 3.91Å; V27-L29 PolarHBondContact O-N 3.28Å; L29-L32 HydrophobicContact CD1-CD2 4.18Å; L29-L32 PolarHBondContact O-N 3.12Å; L29-L33 HydrophobicContact CD1-CD1 4.15Å; L29-L33 HydrophobicContact CD1-CG 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.1Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-I43 HydrophobicContact CB-CD1 4.33Å; L29-I43 HydrophobicContact CD2-CD1 4.11Å; L29-I43 HydrophobicContact CD2-CG2 4.28Å; L29-I43 HydrophobicContact CG-CD1 4.05Å
30E89.1Confident89.2Confident115 Ų11582.7 Ų82.754%0.53746%0.462SS..Hα-helixtrans-60.5-46.3174-63.1-179.1168.500111.9V28 L32 L33 N34 I43V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 HydrophobicContact CG1-CB 4.28Å; V28-E30 PolarHBondContact O-N 2.86Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.18Å; E30-L33 PolarHBondContact O-N 2.74Å; E30-N34 VanDerWaalsContact O-CB 3.27Å; E30-N34 WeakPolarHBondContact O-CB 3.35Å; E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 3.19Å; E30-N34 PolarHBondContact O-ND2 3.3Å; E30-I43 HydrophobicContact CG-CD1 3.68Å
31S90.4Very high88.7Confident60 Ų6079.5 Ų79.542%0.4245%0.449SS..Hα-helixtrans-63.3-40.7177.2-56.30000111.7V28 N35V28-S31 WeakPolarHBondContact CG1-OG 3.2Å; V28-S31 WeakPolarHBondContact O-CB 3.49Å; V28-S31 PolarHBondContact O-N 3.28Å; V28-S31 VanDerWaalsContact O-N 3.1Å; S31-N35 WeakPolarHBondContact O-CB 3.26Å; S31-N35 PolarHBondContact O-N 2.95Å; S31-N35 PolarHBondContact O-ND2 2.7Å
32L90.9Very high88.2Confident66 Ų6687.6 Ų87.635%0.34648%0.475SS..Hα-helixtrans-60.7-48.2176.3-171.580.4000111.5V28 L29 E30 N35 I36 L155V28-L32 PolarHBondContact O-N 3.14Å; V28-L32 VanDerWaalsContact O-N 3.15Å; L29-L32 HydrophobicContact CD1-CD2 4.18Å; L29-L32 PolarHBondContact O-N 3.12Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.18Å; L32-N35 PolarHBondContact O-N 2.92Å; L32-I36 HydrophobicContact CG-CD1 4.42Å; L32-I36 WeakPolarHBondContact O-CD1 3.4Å; L32-I36 WeakPolarHBondContact O-CG1 3.28Å; L32-I36 PolarHBondContact O-N 3.48Å; L32-L155 HydrophobicContact CD2-CD1 3.84Å
33L89.5Confident87.9Confident25 Ų2589.4 Ų89.413%0.13149%0.485CS..Hα-helixtrans-73.1-35.2-178.1-67.5172.6000112.2L29 E30 N35 I36 G37 C38 L41 I43L29-L33 HydrophobicContact CD1-CD1 4.15Å; L29-L33 HydrophobicContact CD1-CG 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.1Å; L29-L33 PolarHBondContact O-N 3.02Å; E30-L33 PolarHBondContact O-N 2.74Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-N35 PolarHBondContact O-N 2.85Å; L33-I36 PolarHBondContact O-N 3.42Å; L33-G37 PolarHBondContact O-N 3.35Å; L33-C38 HydrophobicContact CB-CB 4.4Å; L33-C38 WeakPolarHBondContact O-CB 3.45Å; L33-C38 PolarHBondContact O-N 3.05Å; L33-L41 HydrophobicContact CB-CD1 3.51Å; L33-L41 HydrophobicContact CB-CD2 3.83Å; L33-L41 HydrophobicContact CB-CG 4.32Å; L33-L41 HydrophobicContact CD1-CD1 4.36Å; L33-L41 HydrophobicContact CD1-CD2 3.89Å; L33-L41 HydrophobicContact CG-CD2 4.47Å; L33-I43 HydrophobicContact CD1-CD1 4.23Å
34N90Very high87.3Confident78 Ų7888.1 Ų88.142%0.41749%0.485SS..Hα-helixtrans-60.2-42.7170.4-82.7-47.6000111.5E30 I36 G37 C38E30-N34 VanDerWaalsContact O-CB 3.27Å; E30-N34 WeakPolarHBondContact O-CB 3.35Å; E30-N34 VanDerWaalsContact O-CG 3.32Å; E30-N34 PolarHBondContact O-N 3.19Å; E30-N34 PolarHBondContact O-ND2 3.3Å; N34-I36 PolarHBondContact O-N 2.91Å; N34-G37 WeakPolarHBondContact O-CA 3.45Å; N34-G37 PolarHBondContact O-N 3.37Å; N34-C38 PolarHBondContact OD1-O 3.3Å; N34-C38 VanDerWaalsContact OD1-O 3.13Å
35N90.1Very high86.7Confident143 Ų14385.6 Ų85.677%0.76547%0.473SS*.Hα-helixtrans-64.1-25.1176.3-72.6-16.8000113.3S31 L32 L33 G37S31-N35 WeakPolarHBondContact O-CB 3.26Å; S31-N35 PolarHBondContact O-N 2.95Å; S31-N35 PolarHBondContact O-ND2 2.7Å; L32-N35 PolarHBondContact O-N 2.92Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-N35 PolarHBondContact O-N 2.85Å; N35-G37 VanDerWaalsContact C-N 3.25Å
36I88.1Confident85.7Confident122 Ų12283.4 Ų83.463%0.62648%0.478SS*.THydrogen-bonded Turntrans-81.1-6.9173.9-65.4164000111.5L32 L33 N34L32-I36 HydrophobicContact CG-CD1 4.42Å; L32-I36 WeakPolarHBondContact O-CD1 3.4Å; L32-I36 WeakPolarHBondContact O-CG1 3.28Å; L32-I36 PolarHBondContact O-N 3.48Å; L33-I36 PolarHBondContact O-N 3.42Å; N34-I36 PolarHBondContact O-N 2.91Å
37G88.2Confident84.3Confident57 Ų5784.2 Ų84.259%0.58847%0.474SS*.THydrogen-bonded Turntrans100.34.5178.300000114.7L33 N34 N35 S39L33-G37 PolarHBondContact O-N 3.35Å; N34-G37 WeakPolarHBondContact O-CA 3.45Å; N34-G37 PolarHBondContact O-N 3.37Å; N35-G37 VanDerWaalsContact C-N 3.25Å; G37-S39 PolarHBondContact O-N 3.29Å; G37-S39 VanDerWaalsContact O-N 3.11Å
38C83.6Confident82.3Confident37 Ų3788.4 Ų88.425%0.2549%0.492CS..  trans-82.284.7177-58.30000110.4L33 N34 K40 L41L33-C38 HydrophobicContact CB-CB 4.4Å; L33-C38 WeakPolarHBondContact O-CB 3.45Å; L33-C38 PolarHBondContact O-N 3.05Å; N34-C38 PolarHBondContact OD1-O 3.3Å; N34-C38 VanDerWaalsContact OD1-O 3.13Å; C38-K40 PolarHBondContact O-N 3.13Å; C38-L41 HydrophobicContact CB-CD2 3.66Å; C38-L41 HydrophobicContact CB-CG 4.25Å; C38-L41 WeakPolarHBondContact O-CD1 3.39Å; C38-L41 VanDerWaalsContact O-CG 3.27Å; C38-L41 WeakPolarHBondContact O-CG 3.3Å
39S78.3Confident80.1Confident101 Ų10195.3 Ų95.371%0.70651%0.512SS*.  trans-83.2-1.9-174.957.90000115.9G37G37-S39 PolarHBondContact O-N 3.29Å; G37-S39 VanDerWaalsContact O-N 3.11Å
40K80.9Confident77.8Confident175 Ų17599.9 Ų99.976%0.76154%0.541SS*.SBendtrans-130.291.9175.1-68.2-175.8-178.2179.50108.7C38C38-K40 PolarHBondContact O-N 3.13Å
41L79.6Confident75.6Confident63 Ų6399.6 Ų99.633%0.3355%0.552SS.*  trans-107.4134-175.9-67.2167.3000110.4L33 C38L33-L41 HydrophobicContact CB-CD1 3.51Å; L33-L41 HydrophobicContact CB-CD2 3.83Å; L33-L41 HydrophobicContact CB-CG 4.32Å; L33-L41 HydrophobicContact CD1-CD1 4.36Å; L33-L41 HydrophobicContact CD1-CD2 3.89Å; L33-L41 HydrophobicContact CG-CD2 4.47Å; C38-L41 HydrophobicContact CB-CD2 3.66Å; C38-L41 HydrophobicContact CB-CG 4.25Å; C38-L41 WeakPolarHBondContact O-CD1 3.39Å; C38-L41 VanDerWaalsContact O-CG 3.27Å; C38-L41 WeakPolarHBondContact O-CG 3.3Å
42W80.5Confident73.3Confident183 Ų183104.1 Ų104.169%0.69357%0.571SS**  trans-125.3108.7160.6-171.3-5.9000106.4W6 V44W6-W42 HydrophobicContact CH2-CB 4.21Å; W6-W42 HydrophobicContact CZ3-CB 4.3Å; W42-V44 HydrophobicContact CG-CG2 4.33Å; W42-V44 VanDerWaalsContact NE1-CG2 3.3Å
43I83.6Confident70.6Confident55 Ų55107.4 Ų107.428%0.28259%0.593SS.*  trans-99.2127.4178.2-53.2179.4000107.3I19 L29 E30 L33I19-I43 HydrophobicContact CD1-CG2 3.72Å; L29-I43 HydrophobicContact CB-CD1 4.33Å; L29-I43 HydrophobicContact CD2-CD1 4.11Å; L29-I43 HydrophobicContact CD2-CG2 4.28Å; L29-I43 HydrophobicContact CG-CD1 4.05Å; E30-I43 HydrophobicContact CG-CD1 3.68Å; L33-I43 HydrophobicContact CD1-CD1 4.23Å
44V79.3Confident68.1Low104 Ų104112.9 Ų112.963%0.6362%0.623SS**  trans-131.8128.5177.5-178.10000108.3W42 G46W42-V44 HydrophobicContact CG-CG2 4.33Å; W42-V44 VanDerWaalsContact NE1-CG2 3.3Å; V44-G46 PolarHBondContact O-N 3.12Å; V44-G46 VanDerWaalsContact O-N 3.11Å
45E78.9Confident65.5Low112 Ų112118.3 Ų118.352%0.52365%0.646SS.*  trans-77.795.5174-164.4158.1-149.700109.4T18 I19 S47T18-E45 WeakPolarHBondContact CA-OE1 3.48Å; T18-E45 WeakPolarHBondContact CB-OE1 3.19Å; I19-E45 HydrophobicContact CD1-CB 3.85Å; I19-E45 HydrophobicContact CD1-CG 4.28Å; I19-E45 HydrophobicContact CG1-CB 4.47Å; I19-E45 HydrophobicContact CG1-CG 4.4Å; I19-E45 PolarHBondContact N-OE1 2.87Å; E45-S47 PolarHBondContact O-N 2.92Å
46G71.9Confident63.1Low56 Ų56117.1 Ų117.158%0.57765%0.649SS**  trans-71.8111.4177.700000111.5V44 M48V44-G46 PolarHBondContact O-N 3.12Å; V44-G46 VanDerWaalsContact O-N 3.11Å; G46-M48 PolarHBondContact O-N 3.27Å; G46-M48 VanDerWaalsContact O-N 3.14Å
47S63.6Low60.4Low81 Ų81116.6 Ų116.657%0.56666%0.656SS**  trans-64.8112.7167.6179.50000109.7E45 Y49E45-S47 PolarHBondContact O-N 2.92Å; S47-Y49 PolarHBondContact O-N 3.25Å; S47-Y49 VanDerWaalsContact O-N 3.07Å
48M49Very low57.8Low139 Ų139120 Ų12069%0.68567%0.665SS**THydrogen-bonded Turntrans-68.4-2.1178.7-74.3-80.2165.500113.9G46G46-M48 PolarHBondContact O-N 3.27Å; G46-M48 VanDerWaalsContact O-N 3.14Å
49Y47.1Very low55.6Low209 Ų209128.9 Ų128.982%0.8270%0.695SS**THydrogen-bonded Turntrans-142.569.7178.4-66-81.7000112.1S47S47-Y49 PolarHBondContact O-N 3.25Å; S47-Y49 VanDerWaalsContact O-N 3.07Å
50T40.5Very low53.4Low117 Ų117130 Ų13072%0.71870%0.704SS**  trans-90.6103153.447.30000109.2
51S42.6Very low51.2Low108 Ų108130.6 Ų130.676%0.75571%0.709SS**  trans-51.9143.6170.7-52.70000111T53S51-T53 PolarHBondContact O-N 3.45Å
52L44.1Very low49Very low156 Ų156132.8 Ų132.882%0.81773%0.729SS**  trans-43.7108.1-175.5-7969000113.3
53T34.1Very low46.5Very low134 Ų134130 Ų13082%0.82273%0.732SS**  trans-82.7108.6147.131.10000107.7S51 E55S51-T53 PolarHBondContact O-N 3.45Å; T53-E55 PolarHBondContact O-N 3.49Å; T53-E55 VanDerWaalsContact O-N 3.16Å
54N35.5Very low44.4Very low141 Ų141134.5 Ų134.575%0.75476%0.756SS**  trans-62114.2174.9-71.6-19.9000110S56N54-S56 PolarHBondContact O-N 2.81Å
55E35.5Very low42.3Very low191 Ų191138 Ų13889%0.89377%0.765SS**  trans-76.5119.6160.2-68.5-168.6170.500109.4T53T53-E55 PolarHBondContact O-N 3.49Å; T53-E55 VanDerWaalsContact O-N 3.16Å
56S40Very low40.5Very low118 Ų118138.1 Ų138.183%0.82578%0.776SS**  trans-142.388.2159.8171.40000107.7N54N54-S56 PolarHBondContact O-N 2.81Å
57S31.9Very low38.5Very low111 Ų111142.4 Ų142.478%0.77679%0.79SS**  trans-131.2120.6166.964.10000110.4
58T32.8Very low37.1Very low129 Ų129144.3 Ų144.379%0.79180%0.798SS**  trans-130107.2166.5-55.20000106.1
59Y37Very low36.5Very low223 Ų223143.4 Ų143.488%0.87580%0.803SS**  trans35.8116.9163.7-69.8-92000120.1
60S32.5Very low35.7Very low126 Ų126141.4 Ų141.488%0.88181%0.805SS**  -167.8150.6110.5570000113.4
61E34.9Very low35.1Very low187 Ų187141.2 Ų141.287%0.87481%0.809SS**  trans-76.7132.9-174.6175.6179.5-168.400114.3
62S32.8Very low34.7Very low108 Ų108142.7 Ų142.776%0.75581%0.814SS**  trans167.3135.7132.945.30000115.8
63T29.9Very low34.2Very low124 Ų124141.8 Ų141.876%0.76182%0.815SS**  trans56.791.5141.7-44.80000122.3
64I39Very low34.3Very low150 Ų150143.4 Ų143.477%0.76982%0.817SS**  58.3138.1118.8-63.7174.6000122.1
65E33.8Very low34.1Very low178 Ų178141.5 Ų141.583%0.83282%0.821SS**  trans89.2150162-86.2-176.8-15500119.8
66P41.3Very low34.4Very low114 Ų114138 Ų13874%0.7481%0.813SS**  trans-122.4146.4-133.535.6-18.1000114.7
67V31.1Very low34.1Very low146 Ų146140 Ų14089%0.88582%0.815SS**  trans-112.8129.2175.4-179.60000111
68V34.7Very low34.8Very low121 Ų121144.7 Ų144.773%0.73382%0.821SS**PPolyproline II helixtrans-66.1134.8-175.6179.80000111.4L70V68-L70 PolarHBondContact O-N 3.46Å
69P35.8Very low35.3Very low120 Ų120146 Ų14678%0.77982%0.822SS**PPolyproline II helixtrans-72122.2172.329.2-32.9000110.9
70L29.5Very low35.3Very low167 Ų167140.6 Ų140.687%0.87482%0.815SS**PPolyproline II helixtrans-75.8142.4175.3-84.9161000111.9V68V68-L70 PolarHBondContact O-N 3.46Å
71S28Very low35.6Very low113 Ų113146.5 Ų146.579%0.7982%0.817SS**PPolyproline II helixtrans-58132.4-173.4-48.70000114.4
72T34.6Very low35.6Very low140 Ų140146.3 Ų146.386%0.85981%0.814SS**  trans-87.3111.116144.60000110
73T33.8Very low35.8Very low137 Ų137146.6 Ų146.684%0.8482%0.816SS**  trans-71.4128.4174.117.30000111.3A75T73-A75 PolarHBondContact O-N 3.39Å
74L36.2Very low36.4Very low167 Ų167147 Ų14787%0.87482%0.819SS**  trans-68.2109.4173.7-74.3164.4000110.7T76L74-T76 PolarHBondContact O-N 3.01Å
75A31.5Very low36.4Very low101 Ų101145.6 Ų145.684%0.83582%0.819SS**  trans-9277.2172.900000111.2T73 N77T73-A75 PolarHBondContact O-N 3.39Å; A75-N77 PolarHBondContact O-N 2.82Å; A75-N77 VanDerWaalsContact O-N 3.14Å
76T40.8Very low36.4Very low119 Ų119142 Ų14273%0.7382%0.82SS**  trans-73.695.8166.751.30000110.1L74L74-T76 PolarHBondContact O-N 3.01Å
77N34.6Very low36.2Very low159 Ų159142.4 Ų142.485%0.8582%0.82SS**  trans-163.6134.5153.4-97.6-37000112A75 L79A75-N77 PolarHBondContact O-N 2.82Å; A75-N77 VanDerWaalsContact O-N 3.14Å; N77-L79 PolarHBondContact O-N 3.3Å
78K45.3Very low36.2Very low210 Ų210139.2 Ų139.291%0.91382%0.816SS**  trans-77.8119.7-179.4-62.6177.2179.6176.60110.1
79L44.2Very low36.5Very low156 Ų156142 Ų14282%0.81782%0.821SS**  trans-135134.3166.2-74174.9000110.1N77N77-L79 PolarHBondContact O-N 3.3Å
80P37.6Very low36.4Very low110 Ų110141.5 Ų141.571%0.71482%0.82SS**  trans-77.2124.4178.331-32.5000110.4
81R37.4Very low37Very low249 Ų249142.3 Ų142.394%0.9482%0.817SS**  trans-87.7107.8168.9-76.6-171.5174.3-169-0.6110
82F36.3Very low37.7Very low184 Ų184146.7 Ų146.781%0.80782%0.818SS**  trans-75.5166.5162.4-88.4-88.1000111.7
83S35.8Very low37.8Very low113 Ų113147.7 Ų147.779%0.7982%0.818SS**  trans96.3122.9152.4-51.20000118.6
84T43.2Very low38.2Very low133 Ų133146.5 Ų146.582%0.81682%0.815SS**PPolyproline II helixtrans-54.5151.2162.532.60000113.4
85P40Very low38.5Very low120 Ų120143 Ų14378%0.77981%0.81SS**PPolyproline II helixtrans-79.3131.2171.632-32.3000111.3
86A33.7Very low38.9Very low102 Ų102148.1 Ų148.184%0.84381%0.814SS**PPolyproline II helixtrans-80.7126.7169.300000110.5G88A86-G88 PolarHBondContact O-N 2.85Å
87V36.2Very low38.8Very low123 Ų123150.3 Ų150.375%0.74582%0.821SS**  trans-75.6110.9178178.40000110.2H89V87-H89 PolarHBondContact O-N 3.24Å
88G32Very low39Very low79 Ų79151.1 Ų151.181%0.81482%0.817SS**  trans-91.789.1177.500000113.3A86 S90A86-G88 PolarHBondContact O-N 2.85Å; G88-S90 PolarHBondContact O-N 3.11Å
89H38.9Very low38.4Very low179 Ų179146.8 Ų146.883%0.82981%0.808SS**  trans-83.9106162.6-72.9-71.1000110.5V87V87-H89 PolarHBondContact O-N 3.24Å
90S35.5Very low38Very low110 Ų110145.8 Ų145.877%0.76980%0.803SS**  trans-157.6107.8157.7-168.60000111.8G88G88-S90 PolarHBondContact O-N 3.11Å
91K42Very low37.9Very low184 Ų184147.8 Ų147.880%0.881%0.808SS**  trans-81.6155.8157.4-70.3178.6178.3176.40107.9
92Y41.9Very low37.9Very low205 Ų205143.5 Ų143.580%0.80480%0.803SS**  trans7494.1-178.7-50.4-82.6000116.4
93N37.6Very low37.8Very low162 Ų162139.6 Ų139.687%0.86681%0.805SS**  -173.9144.697.7-94-39.2000112.1
94S42.1Very low37.7Very low112 Ų112142.5 Ų142.578%0.78381%0.806SS**  trans-89.7161.7178.845.10000112.6
95A42.6Very low37.2Very low93 Ų93146.1 Ų146.177%0.76981%0.81SS**  trans63.2100.1166.900000118.1
96K39.3Very low36.9Very low209 Ų209148 Ų14891%0.90981%0.812SS**  trans-156.6109.1142.5-108.9161.1-170176.30109.8
97N37.7Very low36.8Very low164 Ų164148.9 Ų148.988%0.87781%0.813SS**  trans-78.9133.8174.9-59.8-16.5000108.9
98F38.8Very low36.5Very low176 Ų176151.4 Ų151.477%0.77282%0.816SS**  trans-125.6110.9170.5-167.6-101.5000109.7L100F98-L100 HydrophobicContact CD1-CD1 4.46Å; F98-L100 HydrophobicContact CD1-CG 4.1Å; F98-L100 HydrophobicContact CE1-CD1 4.28Å; F98-L100 HydrophobicContact CE1-CD2 4.09Å; F98-L100 HydrophobicContact CE1-CG 3.78Å
99T33.5Very low36.6Very low119 Ų119155.7 Ų155.773%0.7382%0.819SS**  trans-91.5115-179.5-60000109.7
100L35Very low36.3Very low135 Ų135154.4 Ų154.471%0.70782%0.818SS**  trans-92.6104.9171-91.3163.2000110.2F98F98-L100 HydrophobicContact CD1-CD1 4.46Å; F98-L100 HydrophobicContact CD1-CG 4.1Å; F98-L100 HydrophobicContact CE1-CD1 4.28Å; F98-L100 HydrophobicContact CE1-CD2 4.09Å; F98-L100 HydrophobicContact CE1-CG 3.78Å
101N36Very low36.1Very low153 Ų153155.2 Ų155.282%0.81882%0.823SS**  trans-79.7122.3164.5-72.7-53.4000109.2
102L37.4Very low35.8Very low159 Ų159153.3 Ų153.383%0.83282%0.821SS**  trans-136.1125.7163.5-96.1151.1000107.9
103A33.5Very low35.6Very low102 Ų102149.3 Ų149.384%0.84381%0.814SS**  trans-86.3137.5-172.300000111.6
104E33.8Very low35.8Very low174 Ų174148.5 Ų148.581%0.81381%0.81SS**  trans-68.6139.8175-61.1174139.400111.6
105K33.5Very low35.8Very low208 Ų208152.1 Ų152.190%0.90481%0.811SS**  trans-138110.6147.5-79.3-161.5178.5-172.70109.2
106L33.1Very low35.6Very low159 Ų159153.5 Ų153.583%0.83281%0.811SS**  trans-71.6152.8169.5-63.2169.2000110
107S31.5Very low35.5Very low122 Ų122150.1 Ų150.185%0.85380%0.802SS**  trans-143127.2160-69.20000108.4
108E31.9Very low35.4Very low175 Ų175151.2 Ų151.282%0.81880%0.799SS**  trans-103.6131.9-168.8169.7-176-156.800108.4
109I32.9Very low35.2Very low169 Ų169147.8 Ų147.887%0.86780%0.796SS**  trans-138.6130.6165.8-53.8-178.3000108.4
110L33.3Very low35.1Very low153 Ų153148.9 Ų148.980%0.80180%0.797SS**  trans-76.4154-177.9-63.8158.5000111.6
111S31Very low35.2Very low127 Ų127150.2 Ų150.289%0.88880%0.799SS**  trans-109.7133.2168.7-178.30000108.7
112D35.6Very low35.1Very low143 Ų143149.7 Ų149.777%0.76580%0.797SS**  trans-139.1147.3-172.1-151.515.9000111.6
113D37.4Very low34.9Very low121 Ų121147 Ų14765%0.64779%0.791SS**  trans56.1106.9165.2-85.72.6000123.6
114D42.7Very low35.2Very low145 Ų145152.1 Ų152.178%0.77579%0.79SS**  -3.9143.4128.6-66.4-24.2000120.3
115K42.3Very low35.3Very low188 Ų188152.8 Ų152.882%0.81779%0.793SS**  -163.9160.1127.8-107.1143.6-159.7133.80115.9
116T36.8Very low35.9Very low123 Ų123147.9 Ų147.976%0.75579%0.785SS**  trans-109.4165-160.441.80000114.9
117D37Very low36.6Very low137 Ų137150 Ų15073%0.73379%0.791SS**  trans14.9134.8152.3-45.5-31.1000120.5
118K37.4Very low37.3Very low187 Ų187150 Ų15081%0.81379%0.786SS**  170133.4101.9-93.6178.5-175172.40117.2
119C33.1Very low38.3Very low104 Ų104143.9 Ų143.970%0.70376%0.762SS**  79.6150.8128.4-68.80000124.7
120L32.8Very low39.5Very low143 Ų143145.5 Ų145.575%0.74976%0.757SS**  trans78.3116.4159.1-63134.4000116.9
121E36Very low41Very low162 Ų162144.3 Ų144.376%0.75775%0.748SS**  cis95.114732.3-169.2172.3-14200113.5
122N34.5Very low42.8Very low143 Ų143142.9 Ų142.977%0.76573%0.73SS**  trans85.7142.7-173.5-54.5-53.6000115.4
123S32.9Very low44.6Very low103 Ų103140.2 Ų140.272%0.7272%0.719SS**  cis-155.8154.1-1.5164.80000112.5
124Y39.3Very low46.3Very low209 Ų209138.9 Ų138.982%0.8271%0.711SS**  trans-31.3163.2165-61.8-96.5000121.1
125Q36.7Very low47.9Very low187 Ų187137.9 Ų137.987%0.87470%0.701SS**  trans101.999.8149.4-55.8-162.40.800118.5
126S45Very low49.6Very low106 Ų106134.3 Ų134.374%0.74169%0.692SS**  -178.4113.7106.352.90000111.4T128S126-T128 PolarHBondContact O-N 3.38Å
127E48.2Very low51.5Low203 Ų203133 Ų13395%0.94968%0.679SS**  trans-85.488.6166.6-71-173.5158.500109.6
128T45.4Very low53.4Low122 Ų122131.4 Ų131.475%0.74867%0.67SS**  trans-143.1117.1164.946.60000110S126S126-T128 PolarHBondContact O-N 3.38Å
129S54.8Low55.5Low46 Ų46128.8 Ų128.832%0.32266%0.661SS.*  trans52.989.3171.7-152.60000116.8E131 D132S129-E131 VanDerWaalsContact C-N 3.33Å; S129-D132 VanDerWaalsContact CB-OD2 3.26Å; S129-D132 WeakPolarHBondContact CB-OD2 3.39Å; S129-D132 VanDerWaalsContact OG-CB 3.27Å; S129-D132 WeakPolarHBondContact OG-CB 3.4Å; S129-D132 PolarHBondContact OG-N 3.45Å; S129-D132 VanDerWaalsContact OG-N 3.15Å; S129-D132 PolarHBondContact OG-OD2 3.25Å
130R57.8Low57.6Low203 Ų203129.7 Ų129.777%0.76666%0.655SS**SBendtrans-85.5-19.1164.6-156.6171-173.4158.51.1110.9I134R130-I134 WeakPolarHBondContact O-CD1 3.46Å; R130-I134 WeakPolarHBondContact O-CG1 3.22Å; R130-I134 PolarHBondContact O-N 3.26Å
131E64.1Low59.3Low129 Ų129128.7 Ų128.760%0.60365%0.648SS**Hα-helixtrans-77.3-43.3-175.9-66.663.5-144.700111.5S129 V133 I134 Q135S129-E131 VanDerWaalsContact C-N 3.33Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; E131-I134 PolarHBondContact O-N 2.85Å; E131-Q135 PolarHBondContact O-N 3.26Å
132D68.3Low61.2Low97 Ų97126.1 Ų126.152%0.51964%0.643SS.*Hα-helixtrans-64-37.4176.7-62.6-31.3000111.2S129 I134 Q135 D136S129-D132 VanDerWaalsContact CB-OD2 3.26Å; S129-D132 WeakPolarHBondContact CB-OD2 3.39Å; S129-D132 VanDerWaalsContact OG-CB 3.27Å; S129-D132 WeakPolarHBondContact OG-CB 3.4Å; S129-D132 PolarHBondContact OG-N 3.45Å; S129-D132 VanDerWaalsContact OG-N 3.15Å; S129-D132 PolarHBondContact OG-OD2 3.25Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.1Å; D132-Q135 PolarHBondContact O-N 3.23Å; D132-Q135 VanDerWaalsContact O-N 3.17Å; D132-D136 PolarHBondContact O-N 2.97Å
133V74.7Confident62.7Low87 Ų87124.8 Ų124.853%0.52763%0.632SS.*Hα-helixtrans-65.5-34.6176.5-178.60000112E131 L137E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; V133-L137 HydrophobicContact CG1-CD1 4.37Å; V133-L137 WeakPolarHBondContact O-CB 3.36Å; V133-L137 WeakPolarHBondContact O-CG 3.37Å; V133-L137 PolarHBondContact O-N 2.75Å
134I72.9Confident64.1Low93 Ų93123.7 Ų123.748%0.47762%0.621SS.*Hα-helixtrans-73.1-34.7174.9-69.1165.3000110.5R130 E131 D132 L138R130-I134 WeakPolarHBondContact O-CD1 3.46Å; R130-I134 WeakPolarHBondContact O-CG1 3.22Å; R130-I134 PolarHBondContact O-N 3.26Å; E131-I134 PolarHBondContact O-N 2.85Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.1Å; I134-L138 HydrophobicContact CG2-CD1 4.13Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 3.02Å; I134-L138 VanDerWaalsContact O-N 3.08Å
135Q75.6Confident64.9Low123 Ų123119.3 Ų119.358%0.57562%0.616SS**Hα-helixtrans-72.2-43.2178-169.9155.6-18.700112E131 D132 L137 L138 E139E131-Q135 PolarHBondContact O-N 3.26Å; D132-Q135 PolarHBondContact O-N 3.23Å; D132-Q135 VanDerWaalsContact O-N 3.17Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 3.22Å; Q135-L138 PolarHBondContact O-N 3.1Å; Q135-L138 VanDerWaalsContact O-N 3.16Å; Q135-E139 PolarHBondContact O-N 3.27Å
136D78.3Confident65.8Low114 Ų114113.9 Ų113.961%0.6160%0.603SS**Hα-helixtrans-59.9-42.2172.8-79.5-12.3000111.7D132 L138 E139 E140D132-D136 PolarHBondContact O-N 2.97Å; D136-L138 VanDerWaalsContact C-N 3.33Å; D136-L138 PolarHBondContact O-N 3.37Å; D136-E139 PolarHBondContact O-N 2.76Å; D136-E140 WeakPolarHBondContact O-CB 3.44Å; D136-E140 PolarHBondContact O-N 3.5Å
137L75.8Confident65.9Low95 Ų95114.9 Ų114.950%0.49760%0.6SS.*Hα-helixtrans-64.3-34.4175-87.4165.2000113.2V133 Q135 M141V133-L137 HydrophobicContact CG1-CD1 4.37Å; V133-L137 WeakPolarHBondContact O-CB 3.36Å; V133-L137 WeakPolarHBondContact O-CG 3.37Å; V133-L137 PolarHBondContact O-N 2.75Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 3.22Å; L137-M141 WeakPolarHBondContact O-CB 3.45Å; L137-M141 WeakPolarHBondContact O-CG 3.33Å; L137-M141 PolarHBondContact O-N 3.12Å
138L76.8Confident66Low104 Ų104109.7 Ų109.755%0.54558%0.582SS.*Hα-helixtrans-72.6-39.1174.9-79.4166.2000111.8I134 Q135 D136 M141 V142I134-L138 HydrophobicContact CG2-CD1 4.13Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 3.02Å; I134-L138 VanDerWaalsContact O-N 3.08Å; Q135-L138 PolarHBondContact O-N 3.1Å; Q135-L138 VanDerWaalsContact O-N 3.16Å; D136-L138 VanDerWaalsContact C-N 3.33Å; D136-L138 PolarHBondContact O-N 3.37Å; L138-M141 PolarHBondContact O-N 3.01Å; L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å
139E81.5Confident66.3Low131 Ų131112.5 Ų112.561%0.61259%0.592SS**Hα-helixtrans-64-42.1174.8-15499.1-15100110.6Q135 D136 V142 Q143Q135-E139 PolarHBondContact O-N 3.27Å; D136-E139 PolarHBondContact O-N 2.76Å; E139-V142 PolarHBondContact O-N 3.04Å; E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.37Å
140E78.7Confident66Low123 Ų123118.3 Ų118.358%0.57561%0.614SS**Hα-helixtrans-63.8-41.3174.5-171.6178.3-177.200112.4D136 Q143 T144D136-E140 WeakPolarHBondContact O-CB 3.44Å; D136-E140 PolarHBondContact O-N 3.5Å; E140-Q143 PolarHBondContact O-N 3.06Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 WeakPolarHBondContact O-CG2 3.48Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.08Å
141M67.8Low65.2Low123 Ų123112.8 Ų112.861%0.60661%0.612SS**Hα-helixtrans-66.1-36.5174.2-80.6-172.263.200113.1L137 L138 T144 V145L137-M141 WeakPolarHBondContact O-CB 3.45Å; L137-M141 WeakPolarHBondContact O-CG 3.33Å; L137-M141 PolarHBondContact O-N 3.12Å; L138-M141 PolarHBondContact O-N 3.01Å; M141-T144 WeakPolarHBondContact CA-OG1 3.41Å; M141-T144 PolarHBondContact O-OG1 3.16Å; M141-V145 WeakPolarHBondContact O-CG2 3.21Å; M141-V145 PolarHBondContact O-N 2.97Å
142V76.6Confident64.1Low107 Ų107112.5 Ų112.565%0.64862%0.622SS**Hα-helixtrans-69.9-39.8176.2169.60000110.9L138 E139L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å; E139-V142 PolarHBondContact O-N 3.04Å
143Q66.3Low63.1Low116 Ų116113 Ų11354%0.54262%0.623SS.*Hα-helixtrans-68.6-40.9178.2-170.358.654.200112.2E139 E140 V145 A146E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.37Å; E140-Q143 PolarHBondContact O-N 3.06Å; Q143-V145 VanDerWaalsContact C-N 3.31Å; Q143-V145 PolarHBondContact O-N 3.34Å; Q143-A146 WeakPolarHBondContact O-CB 3.46Å; Q143-A146 PolarHBondContact O-N 3.49Å; Q143-A146 VanDerWaalsContact O-N 3.16Å
144T61.1Low61.3Low79 Ų79117.1 Ų117.149%0.48564%0.641SS.*Hα-helixtrans-69-23.7179.846.40000114.1E140 M141 V148E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 WeakPolarHBondContact O-CG2 3.48Å; E140-T144 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-OG1 3.08Å; M141-T144 WeakPolarHBondContact CA-OG1 3.41Å; M141-T144 PolarHBondContact O-OG1 3.16Å; T144-V148 WeakPolarHBondContact O-CG2 3.39Å
145V57.1Low59.6Low117 Ų117117.2 Ų117.271%0.70964%0.642SS**Hα-helixtrans-76.9-23.5172.9172.10000112.3M141 Q143M141-V145 WeakPolarHBondContact O-CG2 3.21Å; M141-V145 PolarHBondContact O-N 2.97Å; Q143-V145 VanDerWaalsContact C-N 3.31Å; Q143-V145 PolarHBondContact O-N 3.34Å
146A54.8Low57.5Low74 Ų74116.3 Ų116.361%0.61265%0.649SS**Hα-helixtrans-74.4-22.3-179.700000114Q143Q143-A146 WeakPolarHBondContact O-CB 3.46Å; Q143-A146 PolarHBondContact O-N 3.49Å; Q143-A146 VanDerWaalsContact O-N 3.16Å
147D48.2Very low55.6Low126 Ų126115.5 Ų115.567%0.67465%0.649SS**THydrogen-bonded Turntrans-101.65.2-171.5-70.2-38.5000114.5D149D147-D149 PolarHBondContact O-N 3.29Å
148V50.1Low53.7Low95 Ų95116 Ų11658%0.57666%0.656SS**  trans-93.572.8-176-171.20000112.7T144 Q150T144-V148 WeakPolarHBondContact O-CG2 3.39Å; V148-Q150 HydrophobicContact CG1-CB 3.72Å; V148-Q150 PolarHBondContact O-N 3.14Å
149D50.8Low51.7Low180 Ų180118 Ų11896%0.96367%0.667SS**  trans-74.572.3161-95.6-25.9000110.2D147D147-D149 PolarHBondContact O-N 3.29Å
150Q49.6Very low49.5Very low168 Ų168115.4 Ų115.479%0.78567%0.667SS**  trans-114.5125.6178.6-160.2163.781.500112.1V148V148-Q150 HydrophobicContact CG1-CB 3.72Å; V148-Q150 PolarHBondContact O-N 3.14Å
151A39.8Very low47.3Very low87 Ų87116.6 Ų116.672%0.71968%0.678SS**PPolyproline II helixtrans-63.2142.8-174.700000112.6I153A151-I153 PolarHBondContact O-N 3.35Å
152P41.5Very low46.1Very low123 Ų123118.1 Ų118.180%0.79969%0.687SS**PPolyproline II helixtrans-65.6135.2-173.725.6-34.6000112.6L154P152-L154 PolarHBondContact O-N 2.94Å
153I47.1Very low44.4Very low109 Ų109116.3 Ų116.356%0.55969%0.69SS**PPolyproline II helixtrans-68118.6173.8-60.7175.1000108.9A151 L155A151-I153 PolarHBondContact O-N 3.35Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 4.3Å; I153-L155 PolarHBondContact O-N 3.48Å
154L35.9Very low42.8Very low172 Ų172116.8 Ų116.890%0.90170%0.7SS**  trans-74.688.4176.9-105.6160.9000110.9P152P152-L154 PolarHBondContact O-N 2.94Å
155L37.8Very low41.8Very low95 Ų95118 Ų11850%0.49771%0.71SS.*  trans-81.6125.2167.9-64.1175.4000109.7L32 I153L32-L155 HydrophobicContact CD2-CD1 3.84Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 4.3Å; I153-L155 PolarHBondContact O-N 3.48Å
156S31.7Very low40.7Very low104 Ų104123.9 Ų123.973%0.72772%0.719SS**  trans-10994.4176.8-172.40000110.3
157T39.3Very low39.8Very low97 Ų97129.4 Ų129.460%0.59573%0.73SS**  trans-87.2126.8174.9-0.30000110.3I10I10-T157 HydrophobicContact CG2-CG2 4.33Å
158T35.7Very low39.2Very low107 Ų107129.6 Ų129.666%0.65674%0.741SS**  trans-113.5117.2173.4-57.20000109.4A160T158-A160 PolarHBondContact O-N 3.28Å
159L34.2Very low38.5Very low145 Ų145130.5 Ų130.576%0.75975%0.747SS**  trans-83.2111176.8-97.3162.9000110.6
160A34.6Very low38.2Very low76 Ų76127.6 Ų127.663%0.62874%0.737SS**  trans-97.194.3174.100000110.7T158 I162T158-A160 PolarHBondContact O-N 3.28Å; A160-I162 PolarHBondContact O-N 3.44Å
161N34.3Very low37.5Very low149 Ų149126 Ų12680%0.79773%0.733SS**  trans-80.1104.1168-93.8-13.6000109.9G163N161-G163 PolarHBondContact O-N 3.44Å
162I41.1Very low37.3Very low155 Ų155130.6 Ų130.680%0.79574%0.737SS**THydrogen-bonded Turntrans-76.5108.4169-59.7174.2000107.4A160A160-I162 PolarHBondContact O-N 3.44Å
163G40.6Very low37.5Very low69 Ų69129.9 Ų129.971%0.71173%0.732SS**THydrogen-bonded Turntrans161.40.9177.800000119N161N161-G163 PolarHBondContact O-N 3.44Å
164V33.5Very low36.8Very low126 Ų126133 Ų13376%0.76475%0.745SS**  trans-133.1114.2176.7-165.70000111.6
165P39.6Very low36.7Very low105 Ų105131.9 Ų131.968%0.68274%0.739SS**  trans-71.8130.8171.829.6-32.5000110.2F167P165-F167 PolarHBondContact O-N 3.1Å
166R34.6Very low36.7Very low240 Ų240130.8 Ų130.891%0.90675%0.751SS**  trans-84.6109.3175.5-68.8-175.5177.9-165.60.1110.5
167F35.5Very low37.3Very low190 Ų190134.2 Ų134.283%0.83376%0.76SS**  trans-135.5130.9159-72.9-71.9000111.2P165P165-F167 PolarHBondContact O-N 3.1Å
168S35.2Very low37.5Very low129 Ų129137 Ų13790%0.90277%0.772SS**  trans-85.9132.6170-50.60000109.2
169T36.1Very low38Very low115 Ų115143.8 Ų143.871%0.70679%0.785SS**  trans-102.2162.9-176.653.60000112.4
170P44.3Very low38.3Very low118 Ų118146.8 Ų146.877%0.76679%0.792SS**  -129.8131.28713.28.6000113.3
171I34.5Very low38.6Very low134 Ų134151.3 Ų151.369%0.68780%0.798SS**  66.6120.188.9-65.4173.4000111.6
172K36.5Very low38.8Very low185 Ų185150 Ų15080%0.80480%0.796SS**  cis-170.2-176.439.9-132.1158.7-170.8179.90109.3
173P46.3Very low38.6Very low108 Ų108148.9 Ų148.970%0.70179%0.788SS**  -123169.6-55.526.7-7.4000114.2
174Q31.7Very low38.5Very low175 Ų175153.3 Ų153.382%0.81880%0.796SS**  -159.8129.6127-112.5-175.344.200114
175N34.4Very low38.9Very low148 Ų148154.8 Ų154.879%0.79180%0.796SS**  trans44.3111.5145.9-57.4-6.4000122.1
176G36.8Very low38.7Very low72 Ų72156.4 Ų156.474%0.74280%0.804SS**  104.395.4118.900000119.1
177L43.8Very low39.1Very low175 Ų175153.8 Ų153.892%0.91680%0.802SS**  171146.1108.4-91.4162.8000112.1
178D45.3Very low39.6Very low157 Ų157156.4 Ų156.484%0.8481%0.807SS**  trans-68.5129.9-174.9-63.8-74.4000114.4
179R44.7Very low39.8Very low248 Ų248158.7 Ų158.794%0.93681%0.807SS**  trans-142.2106.9149.3-92.1-174.5178.2178.7-0.9111.3F181R179-F181 PolarHBondContact O-N 3.41Å
180K41.5Very low40Very low209 Ų209158.2 Ų158.291%0.90981%0.808SS**  trans-65.1124.9162.9-84.2-179.2172.6177.40109.2
181F41.1Very low40.1Very low171 Ų171161.9 Ų161.975%0.7582%0.815SS**  trans-125.2107.1162.1-173.1-102.2000108.9R179 M183R179-F181 PolarHBondContact O-N 3.41Å; F181-M183 HydrophobicContact CD1-CB 4.31Å; F181-M183 HydrophobicContact CE1-CB 3.76Å; F181-M183 HydrophobicContact CE1-CG 3.97Å; F181-M183 HydrophobicContact CE1-SD 3.95Å; F181-M183 HydrophobicContact CZ-CG 4.38Å; F181-M183 HydrophobicContact CZ-SD 4.46Å
182T38.8Very low40.4Very low122 Ų122162.9 Ų162.975%0.74882%0.821SS**  trans-97113.1173.739.50000109.1
183M35.7Very low40.6Very low131 Ų131162 Ų16265%0.64583%0.825SS**  trans-104.7103.1174.1-152.2174.18200109.4F181 M185F181-M183 HydrophobicContact CD1-CB 4.31Å; F181-M183 HydrophobicContact CE1-CB 3.76Å; F181-M183 HydrophobicContact CE1-CG 3.97Å; F181-M183 HydrophobicContact CE1-SD 3.95Å; F181-M183 HydrophobicContact CZ-CG 4.38Å; F181-M183 HydrophobicContact CZ-SD 4.46Å; M183-M185 HydrophobicContact CE-CG 3.92Å; M183-M185 HydrophobicContact CE-SD 4.02Å; M183-M185 PolarHBondContact O-N 2.89Å
184N38.3Very low40.3Very low162 Ų162162.1 Ų162.187%0.86683%0.828SS**  trans-76.3119.7170.7-77.5-17.6000108.9
185M41.3Very low41Very low156 Ų156161.9 Ų161.977%0.76883%0.832SS**  trans-109112.8168.1-71.9-77.4-78.200107.8M183M183-M185 HydrophobicContact CE-CG 3.92Å; M183-M185 HydrophobicContact CE-SD 4.02Å; M183-M185 PolarHBondContact O-N 2.89Å
186T37Very low41.3Very low139 Ų139164.3 Ų164.385%0.85383%0.832SS**  trans-77.2136.2172.140.40000110.6R188T186-R188 PolarHBondContact O-N 3.31Å
187E42.1Very low41.5Very low185 Ų185169.8 Ų169.886%0.86484%0.838SS**  trans-58.3131.3179.7-59.9168.5135.800112.5
188R46.6Very low41.1Very low245 Ų245164.9 Ų164.993%0.92583%0.83SS**  trans175.9107.9135.9-98.5164.8-174.9-169.30.8109.5T186T186-R188 PolarHBondContact O-N 3.31Å
189I38.7Very low40.9Very low177 Ų177167.1 Ų167.191%0.90883%0.828SS**  trans-128.7139.8158.9-49.9-179.7000106.5
190S39.8Very low40.8Very low105 Ų105162.9 Ų162.973%0.73482%0.819SS**  trans-66156.6-160.7-49.50000115.8
191E46.7Very low41Very low195 Ų195159.8 Ų159.891%0.91181%0.812SS**  trans-54136.1159.3-63.5156.6158.800110.6
192I41.7Very low40.8Very low156 Ų156159.2 Ų159.280%0.881%0.809SS**  trans-134.8123.6165.7-60.1179.8000106.5S194I192-S194 PolarHBondContact O-N 3.48Å
193D39.3Very low40.8Very low167 Ų167161.6 Ų161.689%0.89381%0.812SS**  trans-59.5117.4-180-86.4-47.4000111.9N195D193-N195 PolarHBondContact O-N 2.85Å
194S40.1Very low40.8Very low110 Ų110162.7 Ų162.777%0.76982%0.82SS**  trans-94.772177.250.80000111.6I192 Y196I192-S194 PolarHBondContact O-N 3.48Å; S194-Y196 PolarHBondContact O-N 3.14Å
195N48.2Very low40.7Very low170 Ų170159.8 Ų159.891%0.90981%0.813SS**  trans-78.363.9164.9-156.54.6000110.2D193D193-N195 PolarHBondContact O-N 2.85Å
196Y39.3Very low40.6Very low198 Ų198157.7 Ų157.778%0.77681%0.813SS**  trans-120110.9178.1-156.1-94.5000109.6S194 G198S194-Y196 PolarHBondContact O-N 3.14Å; Y196-G198 PolarHBondContact O-N 3.17Å; Y196-G198 VanDerWaalsContact O-N 3.16Å
197Q41Very low40.9Very low187 Ų187158.2 Ų158.287%0.87481%0.811SS**  trans-74.2107-172.4-145.2162.111.500109.4
198G35.8Very low40.6Very low73 Ų73157.3 Ų157.375%0.75381%0.812SS**  trans-65.4148.1-176.100000113.1Y196Y196-G198 PolarHBondContact O-N 3.17Å; Y196-G198 VanDerWaalsContact O-N 3.16Å
199Y41.9Very low39.9Very low203 Ų203151.3 Ų151.380%0.79681%0.807SS**  trans-114.2127159.658.8-85.4000108
200E42.9Very low39.7Very low159 Ų159149 Ų14974%0.74380%0.8SS**  trans-76.6140.3-177.2-67174.1143.400110.7F202E200-F202 HydrophobicContact CB-CD2 4.38Å; E200-F202 HydrophobicContact CB-CE2 3.96Å
201L44.1Very low39.3Very low145 Ų145149 Ų14976%0.75980%0.797SS**  trans-89.4105.2173.7-161.687.3000108E203L201-E203 PolarHBondContact O-N 2.94Å
202F36.5Very low38.7Very low159 Ų159148.2 Ų148.270%0.69780%0.797SS**  trans-84.3110.9172-76.5-88.8000109.9E200E200-F202 HydrophobicContact CB-CD2 4.38Å; E200-F202 HydrophobicContact CB-CE2 3.96Å
203E39Very low38.4Very low172 Ų172147.8 Ų147.880%0.80480%0.795SS**  trans-89.391.7165.2-70.9-169.5159.100109.6L201 S205L201-E203 PolarHBondContact O-N 2.94Å; E203-S205 PolarHBondContact O-N 3.3Å
204D36Very low38.8Very low153 Ų153145.4 Ų145.482%0.81879%0.789SS**  trans-81.793.6170.1-83.2-28.9000110.5
205S37.3Very low38.4Very low102 Ų102147 Ų14771%0.71379%0.789SS**  trans-94.892.8168.7-176.10000109.9E203 N207E203-S205 PolarHBondContact O-N 3.3Å; S205-N207 PolarHBondContact O-N 2.98Å
206S38.8Very low37.6Very low112 Ų112144 Ų14478%0.78378%0.78SS**  trans-82.696.2174.365.60000111
207N43.8Very low37.3Very low149 Ų149142.1 Ų142.180%0.79778%0.778SS**  trans-113.7111.2160.7-88.7-39.8000109.2S205 C209S205-N207 PolarHBondContact O-N 2.98Å; N207-C209 PolarHBondContact O-N 3.05Å
208D34.7Very low37Very low166 Ų166140.5 Ų140.589%0.88877%0.771SS**  trans-69.6119.7175.2-71.8-48.8000111.4
209C32.5Very low37.1Very low120 Ų120144.1 Ų144.181%0.81178%0.778SS**  trans-155.791.5153.9-159.20000113.5N207N207-C209 PolarHBondContact O-N 3.05Å
210T33.5Very low36.9Very low127 Ų127143 Ų14378%0.77978%0.78SS**  trans18.298.6143.3-45.30000119.6
211T32.1Very low36.6Very low107 Ų107141.4 Ų141.466%0.65679%0.786SS**  37.4113.6126.2-24.60000120.6
212L34.1Very low36.3Very low177 Ų177139.1 Ų139.193%0.92778%0.782SS**  trans-143.3124134.3-79.6-174.9000110.7
213I36.1Very low36.2Very low148 Ų148141.9 Ų141.976%0.75979%0.794SS**  trans-97.9140.1169.9-64163.3000107.2
214P48Very low36.1Very low117 Ų117143.8 Ų143.876%0.7680%0.796SS**  -148.2131.5113.634.4-16000117.1
215N31.5Very low35.9Very low144 Ų144147.9 Ų147.977%0.7780%0.8SS**  trans82.2145.4133.8-108.3-2.1000124.4
216C31.5Very low35.8Very low105 Ų105147.2 Ų147.271%0.70980%0.801SS**  trans70145.8158.1-59.80000118.4
217Q31.7Very low35.8Very low159 Ų159149.4 Ų149.474%0.74380%0.803SS**  cis-160.7160.6-21.8-177.4165.6-4.600108.3
218E35.9Very low36.2Very low154 Ų154148.3 Ų148.372%0.7280%0.804SS**  trans-31.6141.7174.1-53.1144.1137.400117.2
219V37.3Very low36.5Very low149 Ų149149.2 Ų149.290%0.90380%0.803SS**  -150.4135.5125176.80000109.4
220E37.1Very low36.7Very low178 Ų178148.7 Ų148.783%0.83281%0.806SS**  trans-79.3154176.5-52.1167.9120.500112.8
221S37Very low36.9Very low126 Ų126147.1 Ų147.188%0.88181%0.806SS**  trans-161.5121.2136.236.60000112.1
222S37.1Very low37.1Very low97 Ų97147.8 Ų147.868%0.67882%0.816SS**  trans-89.9150.517453.70000110.7
223F35.6Very low37.1Very low217 Ų217144.9 Ų144.995%0.95281%0.81SS**  trans-152.5142.2141.6-110.5-75.4000111.2
224Y36.4Very low37.3Very low213 Ų213145 Ų14584%0.83581%0.811SS**  trans-111.1166.5-168.5-110.9-86.7000112.1
225R32.9Very low36.8Very low239 Ų239146 Ų14690%0.90282%0.815SS**  trans83.7150.6164.3-61-174.6-178.9176.60.6117.6
226A34Very low37.8Very low88 Ų88144.5 Ų144.573%0.72781%0.812SS**  cis-169.4155.4-24.100000108.9
227L39.8Very low37.9Very low158 Ų158150.7 Ų150.783%0.82782%0.823SS**  trans-66.4164164.8-69.8161.1000111
228P52.3Low38.1Very low126 Ų126151.1 Ų151.182%0.81882%0.824SS**  -139.416293.737-23.7000115.7
229E41Very low38.3Very low185 Ų185150.4 Ų150.486%0.86482%0.821SS**  trans-78.8156.8174-55.1160.9119.200112.5
230A35.5Very low38.1Very low108 Ų108147.2 Ų147.289%0.89382%0.818SS**  trans-157152.8151.100000110.4
231A37.7Very low38.4Very low94 Ų94146.5 Ų146.578%0.77781%0.813SS**  trans-120.3-171.3-160.900000115.1
232S35.7Very low38.5Very low122 Ų122150.5 Ų150.585%0.85381%0.808SS**  trans80.7152.3178.480.40000115.7
233S34.3Very low38.4Very low116 Ų116155.7 Ų155.781%0.81181%0.813SS**  cis-150.6170.115.9-168.60000113.8
234I40.8Very low38.1Very low151 Ų151150.2 Ų150.277%0.77480%0.802SS**  trans-97.2139.6-175.9-65.3157.5000111.9
235V38.6Very low38Very low138 Ų138144.9 Ų144.984%0.83680%0.796SS**  trans-152.1136.7146.6-171.50000110.3
236P50.9Low38.1Very low111 Ų111145.5 Ų145.572%0.72180%0.798SS**  trans-95.7161.6173.237.6-34.1000113.4
237Y33.8Very low38.2Very low236 Ų236152.4 Ų152.493%0.92581%0.805SS**  trans-123.8141.5172.4-151.6-92.2000111.8
238Q36.7Very low37.9Very low167 Ų167153.6 Ų153.678%0.7881%0.811SS**  trans-108.1141.9-173.8-83-162.6-22.100114.6
239E39.9Very low36.9Very low140 Ų140152.6 Ų152.665%0.65481%0.808SS**  trans20.8127137.1-159.4167.3179.900120.9K241E239-K241 WeakPolarHBondContact OE1-CE 3.44Å; E239-K241 IonicContact OE1-NZ 2.7Å; E239-K241 PolarHBondContact OE1-NZ 3.11Å
240G32.2Very low36.5Very low82 Ų82150 Ų15085%0.84581%0.805SS**  trans-138.298.7167.600000113.1
241K45.1Very low36.3Very low163 Ų163152 Ų15271%0.70980%0.799SS**  trans-95.3145.3164.8-71.7168.7174.3131.40109.9E239E239-K241 WeakPolarHBondContact OE1-CE 3.44Å; E239-K241 IonicContact OE1-NZ 2.7Å; E239-K241 PolarHBondContact OE1-NZ 3.11Å
242R37.4Very low36Very low210 Ų210152.4 Ų152.479%0.79280%0.797SS**  trans-178.1135.9139.9-103.5155.6-171.2-165.23.8115.9
243R36.1Very low35.8Very low206 Ų206151.4 Ų151.478%0.77779%0.79SS**  trans65.5129.9145.9-62.8163.6-175.7-175.6-1.7117.5
244S29.6Very low35.7Very low102 Ų102154.2 Ų154.271%0.71379%0.794SS**  cis96.6113.429.2-170.70000114.7
245S34.6Very low35.5Very low101 Ų101156.1 Ų156.171%0.70680%0.797SS**  trans60.4123.5143.463.30000120.9
246R34.9Very low35.3Very low251 Ų251158.7 Ų158.795%0.94780%0.8SS**  -158.2135.3121.2-108.2167.8-162.2-171.63.9112.5
247R35.4Very low34.4Very low234 Ų234159.5 Ų159.588%0.88380%0.803SS**  trans-82.7150.3161-70.1171.5161.7174.9-8108.7
248L32.9Very low34.4Very low182 Ų182154.6 Ų154.695%0.95380%0.798SS**  trans-144.1149.3142.4-83-175000109.8
249S31.2Very low34.2Very low106 Ų106155.9 Ų155.974%0.74180%0.8SS**  trans-139.9130.1-171.250.90000110.3
250T33.2Very low34.1Very low131 Ų131156.6 Ų156.680%0.80481%0.807SS**  trans-167.3154.8167.939.30000107
251L32.4Very low34.3Very low148 Ų148160.5 Ų160.578%0.77580%0.803SS**  cis-153.9166.8-9.8-113.9164.1000109.4
252S31Very low34.1Very low104 Ų104158.8 Ų158.873%0.72781%0.809SS**  trans7.2154.5145.1-630000122
253S30.1Very low34Very low101 Ų101155.5 Ų155.571%0.70681%0.813SS**  cis154.3129.5-4.9163.70000105.9
254L33.6Very low33.9Very low174 Ų174151.9 Ų151.991%0.91181%0.813SS**  trans-165.8129.5143.3-109.1159.9000109.8
255K35.4Very low34.3Very low191 Ų191152.4 Ų152.483%0.8382%0.817SS**  trans-105.8140.7174.5-66.4177.7177.2-179.90108.1
256E34.5Very low34.4Very low192 Ų192156.2 Ų156.290%0.89782%0.82SS**  trans-140.2134.2159.1-161.6161.2-147.700109.6
257T33.4Very low34.3Very low129 Ų129151.5 Ų151.579%0.79181%0.813SS**  trans-121.1126.3-169.952.20000110.3
258V32.1Very low34.3Very low133 Ų133147 Ų14781%0.80681%0.812SS**  trans-126.8138.9167.6-178.60000109.5
259K33.1Very low34.4Very low193 Ų193147.6 Ų147.684%0.83981%0.807SS**  trans-124.1122.5-165.8-178.4-170.8-175.4-172.50108.8
260I37.4Very low34.6Very low156 Ų156154.5 Ų154.580%0.882%0.817SS**  trans-137.4133.5174.6-57.5-177.7000109.7
261E36.9Very low34.7Very low163 Ų163158.8 Ų158.876%0.76282%0.818SS**PPolyproline II helixtrans-86.9148.2179.1-60.6176.3140.900112.1
262P40.2Very low34.8Very low127 Ų127163.8 Ų163.883%0.82583%0.827SS**PPolyproline II helixtrans-86.6134.8172.133.3-31.8000112.2
263T35.6Very low34.9Very low142 Ų142166.3 Ų166.387%0.87183%0.831SS**PPolyproline II helixtrans-101.9162.3177.444.40000113.4
264V34.4Very low35Very low130 Ų130168 Ų16879%0.78884%0.838SS**PPolyproline II helixtrans-97.9132.7-160.3178.80000114
265S37.4Very low35Very low112 Ų112164.8 Ų164.878%0.78383%0.829SS**  trans-160.9122.1148.751.70000109.7
266K37.7Very low34.9Very low181 Ų181163.1 Ų163.179%0.78783%0.828SS**  85.4103.758.6-78.6-171.3-179.9175.80115.2
267L32.6Very low34.9Very low152 Ų152162.9 Ų162.980%0.79683%0.827SS**  trans53.2133.2148.3-87.174000118.9
268T36.1Very low34.7Very low139 Ų139162.5 Ų162.585%0.85383%0.83SS**  -157.214778.124.10000114.3
269K34.7Very low34.8Very low196 Ų196161.3 Ų161.385%0.85283%0.827SS**  trans-78146.3177.1-72.6169171.8169.50111.9
270R35.4Very low34.9Very low250 Ų250160.3 Ų160.394%0.94383%0.831SS**  trans-140.6110.8145.6-143.5172.7-170.8177.83.1112.1
271R33.9Very low34.9Very low221 Ų221161.6 Ų161.683%0.83483%0.833SS**  trans-63.9148169.7-81.6172.7160162.9-9.1110.6
272R35.7Very low34.8Very low253 Ų253160.3 Ų160.396%0.95584%0.837SS**  trans-137.2156.3134.2-96.2-172.2174.2169.6-2.3110.2
273L33Very low34.5Very low157 Ų157162.8 Ų162.882%0.82284%0.84SS**  trans-103.9161.7-160.8-74.1155.9000112.4
274T32.8Very low34.7Very low138 Ų138161.4 Ų161.485%0.84783%0.831SS**  trans-75160.2170.242.50000112.7
275S32.1Very low35.5Very low105 Ų105161 Ų16173%0.73483%0.831SS**  trans-142.6104.8165.6-171.30000106
276I33.4Very low35.7Very low157 Ų157162.9 Ų162.981%0.80583%0.827SS**  76.4126.496.2-67.4167.7000112.7
277E34.2Very low35.7Very low187 Ų187160.2 Ų160.287%0.87483%0.831SS**  trans-72.8156.3-178.5-59.9154.8125.600112.6
278S30.1Very low36.1Very low121 Ų121161.1 Ų161.185%0.84683%0.831SS**  trans-145.2122.2152.356.70000110.9
279S35Very low37.5Very low108 Ų108159.6 Ų159.676%0.75582%0.824SS**  trans-89.3158171.449.20000110.6
280N35Very low37.5Very low171 Ų171157.4 Ų157.491%0.91482%0.82SS**  trans-153.5127.1153.7-91.2-39.4000109.9
281E36.9Very low38.6Very low183 Ų183150.9 Ų150.986%0.85581%0.81SS**  trans-81.7156.7169.9-59.9166.4100.500110.6
282T34.5Very low39Very low137 Ų137147.1 Ų147.184%0.8481%0.805SS**  trans-157.6104.9143.2-61.80000111.8
283M33.2Very low38.9Very low179 Ų179141 Ų14188%0.88279%0.792SS**  trans32.4144.7143.9-54-147.17700125
284V41.5Very low39.5Very low113 Ų113141.3 Ų141.369%0.68579%0.787SS**  trans-109.4155.4170.3173.90000109.8
285P51.1Low39.7Very low121 Ų121142.4 Ų142.479%0.78679%0.787SS**  -136.6126.412534.6-22.7000111.6
286H40Very low39.8Very low151 Ų151140.3 Ų140.370%0.69978%0.782SS**  62.5109.770-107-59.7000116.6
287S38.8Very low39.9Very low125 Ų125143.1 Ų143.187%0.87479%0.789SS**  trans-159.3154.7145.4-61.80000109.4
288E40.1Very low39.9Very low171 Ų171138.6 Ų138.680%0.79978%0.778SS**  trans-115.4177-159.2-85.7-171150.200115.6
289P65.9Low40.4Very low107 Ų107143 Ų14370%0.69578%0.777SS**  trans-119.9-152.4-161.239-22.2000115.7
290I36Very low40.4Very low150 Ų150146.5 Ų146.577%0.76978%0.782SS**  trans87.4154.3171.6-49.9163.5000113.5
291P56.7Low40.9Very low114 Ų114145.4 Ų145.474%0.7477%0.771SS**  cis-114.1159.9-5.411.514.8000114.5
292L43Very low41.8Very low141 Ų141142.5 Ų142.574%0.73877%0.768SS**  96.6150.555.3-108171.2000115.7
293D34.5Very low41.9Very low125 Ų125141 Ų14167%0.66875%0.754SS**  trans72.7156.9168.7-61.6-34.4000120.8
294K45Very low42Very low164 Ų164138.4 Ų138.471%0.71374%0.743SS**  cis-174.9170.3-47.1-117.4-179.1-173.1169.90109.5
295D36.6Very low41.9Very low161 Ų161139.7 Ų139.786%0.86174%0.742SS**  trans67151.6170-46.7-29.2000116.4
296G35.3Very low41.3Very low60 Ų60143.8 Ų143.862%0.61974%0.743SS**  cis160.8136.1-9.400000111.9
297F33.9Very low41.1Very low216 Ų216139.1 Ų139.195%0.94774%0.736SS**  trans64.5161.5172-66.4-83000116.2
298S34.2Very low40.9Very low92 Ų92139.7 Ų139.764%0.64373%0.729SS**  cis-165.3163.7-11.4166.40000109.3
299Y40.6Very low40.8Very low214 Ų214137.3 Ų137.384%0.83972%0.722SS**  trans14.4137.2156.7-83.3-101000120.5
300E35.9Very low39.5Very low181 Ų181140.4 Ų140.485%0.84673%0.727SS**  -166.6173.667.5-83.1-16214800114
301Q44.6Very low39.7Very low149 Ų149138 Ų13870%0.69672%0.724SS**  trans-82177166.3-56.2172.8-82.500111.7I303Q301-I303 HydrophobicContact CB-CD1 4.23Å; Q301-I303 HydrophobicContact CB-CG1 3.92Å
302P56.3Low38.5Very low121 Ų121141.4 Ų141.479%0.78673%0.727SS**  -130.6152.28512.99.4000111.7
303I35.9Very low38Very low105 Ų105141.7 Ų141.754%0.53873%0.729SS.*  cis66.69440.4-43.5169.1000114.5Q301Q301-I303 HydrophobicContact CB-CD1 4.23Å; Q301-I303 HydrophobicContact CB-CG1 3.92Å
304N35.7Very low38.2Very low125 Ų125141.1 Ų141.167%0.66874%0.735SS**  169.8124.8127.3-891000109.1
305E39.8Very low37.7Very low141 Ų141138.1 Ų138.166%0.65974%0.741SS**  65.4134.170-68.7-176.917700111.7
306Y39Very low37.8Very low206 Ų206140.4 Ų140.481%0.80874%0.743SS**  cis-134.5172.40.6-92.9-91.2000106.4
307G34.5Very low37.7Very low54 Ų54142.7 Ų142.756%0.55775%0.75SS**  cis163.7155.74.800000108.1
308D36.1Very low37.6Very low136 Ų136140 Ų14073%0.72774%0.744SS**  42.6138.7121.8-64.616.5000119.6
309N38.2Very low37.5Very low122 Ų122140.8 Ų140.865%0.65275%0.748SS**  cis-169177.21.6-113.3-31.3000109.8
310E37.3Very low37.2Very low171 Ų171137.3 Ų137.380%0.79975%0.75SS**  trans68.7130.2159.6-71.9162.5-142.100117.9
311S39.8Very low37.2Very low99 Ų99136 Ų13669%0.69274%0.743SS**  cis117.3145.320-81.10000110.5
312F32.8Very low37.3Very low186 Ų186135.1 Ų135.182%0.81675%0.751SS**  trans88.4126152.8-83-61.6000123.1
313L32.7Very low36.2Very low147 Ų147139.2 Ų139.277%0.7775%0.751SS**  trans86.3106.8145-63.6171.7000121.5
314S38.4Very low36.1Very low114 Ų114139.5 Ų139.580%0.79776%0.762SS**  -0.7133.5122.6-54.10000118
315A33.8Very low36.1Very low101 Ų101138.3 Ų138.384%0.83576%0.763SS**  176.3162.698.900000114.5
316K38.6Very low35.9Very low209 Ų209139.8 Ų139.891%0.90977%0.774SS**  trans-52.1146.8170.1-53.3160.4175.6176.90114.2
317S33.3Very low35.9Very low108 Ų108134.6 Ų134.676%0.75577%0.767SS**  trans-173108.1144.6-156.80000109.1
318L32.4Very low36.2Very low160 Ų160141.3 Ų141.384%0.83878%0.784SS**  67.2128.296.7-79.3163.1000117.4
319C33Very low36.2Very low108 Ų108142.4 Ų142.473%0.7379%0.79SS**  trans-14.1143.2159-49.40000119.3
320T32.7Very low36Very low141 Ų141143.4 Ų143.487%0.86580%0.8SS**  -170.5154.6104.724.90000113.4
321E37.3Very low36.1Very low152 Ų152144.6 Ų144.671%0.7180%0.803SS**  trans-65.5171.4166.8-56.4-178.1148.700112.2
322P45.8Very low36.7Very low131 Ų131145.3 Ų145.385%0.85181%0.805SS**  -126.1145.8117.735.8-31.4000114.8
323R32.4Very low36.7Very low208 Ų208143.1 Ų143.179%0.78581%0.807SS**  trans-78.2170.8175.7-77172.4149.8-170.4-7.2113.3
324S34.6Very low37Very low111 Ų111143.9 Ų143.978%0.77681%0.811SS**  trans76.6150.5148.478.10000116.6
325S36Very low36.8Very low99 Ų99148 Ų14869%0.69281%0.814SS**  cis179.2148-22.150.50000106.6
326I35.7Very low36.8Very low173 Ų173147.4 Ų147.489%0.88781%0.809SS**  trans-170.6142.9143-96.2143.5000108.6
327S37.9Very low36.8Very low96 Ų96144 Ų14467%0.67181%0.806SS**  trans-87.8157.6-178.849.30000113
328E41Very low37.1Very low196 Ų196146.4 Ų146.492%0.91681%0.81SS**  trans-158.6144.6130.5-116.3166.4-155.400113
329D35.7Very low37.5Very low158 Ų158144.7 Ų144.785%0.84581%0.812SS**  trans-87142.6-177.3-73.8-69.5000112.8
330V34.4Very low38Very low143 Ų143147.6 Ų147.687%0.86782%0.815SS**  trans-149.2134133.6-177.50000109.8
331K39.5Very low38.1Very low197 Ų197151 Ų15186%0.85781%0.812SS**  trans-129.3171.6170.3-117-164.9176.2173.50110.1
332P52.9Low38.1Very low113 Ų113149.1 Ų149.173%0.73481%0.811SS**  -114.1176-122.340.8-29.1000114.5
333V32.9Very low37.6Very low141 Ų141149 Ų14986%0.85581%0.807SS**  trans-119.8124.8173176.80000111
334L38.3Very low37.9Very low162 Ų162144.2 Ų144.285%0.84881%0.806SS**  trans-72.7152.7171.6-73.4156.4000111.8
335K34.2Very low37.9Very low202 Ų202146.2 Ų146.288%0.87881%0.806SS**  trans-156.7116.8142.6-111.1165.3-170-179.30111.1
336A34.1Very low37.8Very low88 Ų88144.4 Ų144.473%0.72780%0.803SS**  trans-97.9154.3160.600000108.7
337T39.4Very low37.9Very low137 Ų137144.2 Ų144.284%0.8480%0.804SS**  trans-143.8108.516745.40000109.4
338D38.3Very low38.1Very low158 Ų158147.2 Ų147.285%0.84581%0.807SS**  trans-74154.2164.9-56.1-65.4000110.6
339S41.9Very low38Very low124 Ų124145.4 Ų145.487%0.86780%0.802SS**  trans-151.8120.1151.6-157.80000110.5
340E43.1Very low38.1Very low169 Ų169142.6 Ų142.679%0.7979%0.79SS**  trans-78.6166.8174.2-55.9179.7134.500111.7
341R34.6Very low38.3Very low214 Ų214142 Ų14281%0.80878%0.782SS**  133.1106.3111.3-136.1-175.6179.1179.11.2115.9
342T37.5Very low38.2Very low112 Ų112141.3 Ų141.369%0.68778%0.782SS**  trans46.2132.8140.563.70000121.7
343V34.5Very low37.5Very low128 Ų128144.6 Ų144.678%0.77679%0.786SS**  -179.5148.194.1153.40000109.8
344S40Very low38.3Very low108 Ų108143.3 Ų143.376%0.75578%0.781SS**  trans-82.4142.5175.7-1790000112.5
345I34.5Very low38.1Very low153 Ų153141.4 Ų141.479%0.78578%0.776SS**  trans-158.8129.4148-94.6141.6000106.5
346G33.8Very low38.2Very low60 Ų60139 Ų13962%0.61977%0.771SS**  trans-88.3159.817300000111.8
347N37.9Very low38.1Very low170 Ų170143 Ų14391%0.90978%0.775SS**  trans-153.9154.1151.7-103.6-28.9000112.7
348H42.5Very low37.7Very low159 Ų159143.9 Ų143.974%0.73677%0.773SS**  trans-85.1151.5-175.1-167.5-66.8000111.2
349I37.8Very low37.5Very low157 Ų157141.9 Ų141.981%0.80577%0.772SS**  trans157.8100.8161.9-85.7150.6000105.8
350V37.4Very low37.3Very low100 Ų100142.1 Ų142.161%0.60677%0.768SS**  72.8112.984174.80000113.9
351D38.8Very low37.1Very low130 Ų130142.4 Ų142.470%0.69577%0.77SS**  trans29.4125.4151.5-53.2-35000121.4
352H37.8Very low37.1Very low183 Ų183140.7 Ų140.785%0.84777%0.77SS**  -178.7130.498.4-92.7-68.9000112.2
353H37.4Very low37.1Very low181 Ų181143.2 Ų143.284%0.83878%0.78SS**PPolyproline II helixtrans-82.1136.7165.9-100.6-89.2000110.5
354P49.9Very low37Very low114 Ų114143.5 Ų143.574%0.7478%0.782SS**PPolyproline II helixtrans-83.1122.6158.331.4-28.8000110.2
355V34.6Very low36.7Very low122 Ų122147.6 Ų147.674%0.73979%0.792SS**PPolyproline II helixtrans-79.1136.1167.31750000108.3E357V355-E357 HydrophobicContact CG1-CG 4.13Å
356I35.6Very low36.6Very low151 Ų151143 Ų14377%0.77478%0.781SS**  trans-105.7108.8168-62177.2000107.2
357E32.5Very low36.8Very low172 Ų172149.6 Ų149.680%0.80480%0.796SS**  trans-81.2132.3170.7-63.7-177.6147.400109.5V355V355-E357 HydrophobicContact CG1-CG 4.13Å
358L32.3Very low36.6Very low156 Ų156150.1 Ų150.182%0.81779%0.791SS**  trans-108.3106.1170.4-81.3169.1000109.2T360L358-T360 PolarHBondContact O-N 3.01Å
359S33.2Very low36Very low116 Ų116150.8 Ų150.881%0.81179%0.794SS**  trans-60.8128.9175.3-42.80000110.6
360T37.5Very low35.9Very low129 Ų129153.2 Ų153.279%0.79180%0.795SS**  trans-118.5100.4177.3-560000108.4L358L358-T360 PolarHBondContact O-N 3.01Å
361E38.4Very low35.7Very low176 Ų176154.3 Ų154.382%0.82280%0.797SS**  trans-126.2112.3175.5-71.9-169.1-160.700112.3
362H36.2Very low35.5Very low177 Ų177156.8 Ų156.882%0.81980%0.802SS**  trans2.5127.3156-57.8-82.6000119.5
363N35.8Very low35.6Very low165 Ų165154.9 Ų154.988%0.88280%0.798SS**  trans-124.4138.9145.3-96.4-42.9000110.3
364T34.3Very low36.1Very low134 Ų134153.7 Ų153.782%0.82280%0.798SS**  trans-76.7134.5-170.445.40000112.9G366T364-G366 PolarHBondContact O-N 3.27Å
365M32.8Very low36Very low195 Ų195156.8 Ų156.896%0.96180%0.803SS**  trans-64.1115.1168.5-82.1172.659.300110.8
366G33.3Very low36.6Very low55 Ų55158.6 Ų158.657%0.56781%0.808SS**  trans-82.8122.7163.600000110.2T364 F368T364-G366 PolarHBondContact O-N 3.27Å; G366-F368 PolarHBondContact O-N 3.27Å
367E36.3Very low37.2Very low200 Ų200157.8 Ų157.894%0.93581%0.81SS**  trans-76.8106.6175.3-170.5171.5-143.200109.1
368F34.3Very low37.8Very low181 Ų181154.1 Ų154.179%0.79480%0.8SS**  trans-105.3119.6179-79.1-76.9000111.8G366G366-F368 PolarHBondContact O-N 3.27Å
369Q31Very low38.3Very low172 Ų172155.4 Ų155.480%0.80481%0.806SS**  trans-68.9132.3177.5-170.5168.9-29.400110.3D371Q369-D371 PolarHBondContact O-N 3.2Å
370Y35.3Very low38.8Very low208 Ų208155.6 Ų155.682%0.81680%0.797SS**  trans-86.6102.5178.2-82.3-99.3000110.5
371D32.3Very low38.8Very low123 Ų123152 Ų15266%0.65879%0.785SS**  trans-85.8126.7164-68.6-42.4000110.2Q369 D373Q369-D371 PolarHBondContact O-N 3.2Å; D371-D373 PolarHBondContact O-N 2.92Å
372F34.8Very low38.7Very low183 Ų183150.9 Ų150.980%0.80379%0.785SS**  trans-9581.7178-108.7-93.1000109.5D374F372-D374 PolarHBondContact O-N 3.42Å
373D39Very low38.7Very low142 Ų142152.9 Ų152.976%0.75979%0.787SS**  trans-86.399.3173.8-73.4-32.5000111.2D371 E375D371-D373 PolarHBondContact O-N 2.92Å; D373-E375 PolarHBondContact O-N 2.8Å
374D48.8Very low38.9Very low157 Ų157154.3 Ų154.384%0.8479%0.788SS**  trans-76.739.1172.3-96.3-28000112.6F372 D376F372-D374 PolarHBondContact O-N 3.42Å; D374-D376 PolarHBondContact O-N 3.46Å
375E47Very low39.3Very low179 Ų179157.3 Ų157.384%0.83679%0.793SS**  trans-9283.9175.9-70.4-135153.400112.3D373D373-E375 PolarHBondContact O-N 2.8Å
376D48.8Very low39.9Very low159 Ų159154.8 Ų154.885%0.8579%0.788SS**  -171.581.1126.8-120.8-21.3000112.2D374D374-D376 PolarHBondContact O-N 3.46Å
377T48.3Very low40.3Very low134 Ų134155 Ų15582%0.82279%0.79SS**SBendtrans-155.2128.3146.44.40000113.7
378V43.5Very low40.5Very low96 Ų96152.4 Ų152.458%0.58279%0.788SS**  trans74.681.9164.5-133.40000118.4I380V378-I380 HydrophobicContact CG1-CD1 3.85Å; V378-I380 HydrophobicContact CG1-CG1 3.93Å; V378-I380 PolarHBondContact O-N 3.11Å
379L42.5Very low41Very low182 Ų182153.1 Ų153.195%0.95379%0.794SS**  trans-63.6108.4155.7-115.9161.9000110.9
380I43.7Very low41.5Very low120 Ų120152.7 Ų152.762%0.61580%0.796SS**  trans-137.6127.1164.3-60.7179.3000107.8V378V378-I380 HydrophobicContact CG1-CD1 3.85Å; V378-I380 HydrophobicContact CG1-CG1 3.93Å; V378-I380 PolarHBondContact O-N 3.11Å
381G37.8Very low41.9Very low53 Ų53150.6 Ų150.655%0.54680%0.798SS.*  trans-73.2135.7-177.900000112.9
382N37.7Very low42.3Very low153 Ų153154.2 Ų154.282%0.81881%0.811SS**  trans-93.3142172.5-66.3-24.7000110.3
383Y36Very low42.6Very low219 Ų219150.2 Ų150.286%0.85981%0.812SS**  trans-130.2126.2161.9-2.1-90.7000107.1
384E39.7Very low42.9Very low196 Ų196152 Ų15292%0.91682%0.816SS**  trans-95.6129.1178.5-64.2-179.4153.200109.7
385E41.9Very low42.4Very low197 Ų197153.8 Ų153.892%0.92182%0.819SS**  trans-139.6142.1164.8-167.2165.2-164.300109.5
386V45Very low42Very low142 Ų142153.6 Ų153.686%0.86182%0.818SS**  trans-101.2112.7-156.2179.70000112.4
387G42.7Very low41.6Very low58 Ų58154 Ų15460%0.59882%0.82SS**  trans71126.2137.600000120
388T41Very low41.4Very low147 Ų147156.8 Ų156.890%0.90282%0.824SS**  171.3147.3107.837.60000109.7
389E44.3Very low41.6Very low196 Ų196160.6 Ų160.692%0.91684%0.835SS**  trans-99.4136.3-171.6-62.5172.815600111.4
390I41.2Very low41.4Very low163 Ų163159.5 Ų159.584%0.83683%0.83SS**  trans-142.8133163.4-58.7-177.4000108.1
391D43.5Very low41.4Very low163 Ų163159 Ų15987%0.87284%0.838SS**PPolyproline II helixtrans-73.3137.4179.1-62.8-62.5000113
392E40.6Very low42.4Very low199 Ų199165.2 Ų165.293%0.9385%0.853SS**PPolyproline II helixtrans-101.9120165.2-72.6-170.3157.500110.1
393A42.2Very low43.1Very low99 Ų99165.2 Ų165.282%0.81885%0.853SS**PPolyproline II helixtrans-97148.7169.400000111
394E45.5Very low43.9Very low180 Ų180162.2 Ų162.284%0.84185%0.852SS**PPolyproline II helixtrans-64.6141-172-56.6176.5143.300113.4
395Q37.5Very low45.2Very low194 Ų194162 Ų16291%0.90785%0.85SS**PPolyproline II helixtrans-103.7123.5161.6-86.5-177-25.100110
396Q38.4Very low45.8Very low176 Ų176161.7 Ų161.782%0.82285%0.849SS**PPolyproline II helixtrans-87.4146.4165.3-66.2178.8-2.400109.1
397N40Very low46.2Very low167 Ų167162.2 Ų162.289%0.89385%0.847SS**PPolyproline II helixtrans-72.9137.3172.4-65.9-33.5000110.1
398E44.2Very low46.5Very low193 Ų193169.2 Ų169.290%0.90286%0.864SS**  trans-123154.5157.3-107.6-177.8171.800109.7
399E47.3Very low47.6Very low175 Ų175166.7 Ų166.782%0.81885%0.853SS**  trans-90.5179.5-170.8-59.2172134.900112.3
400N39.9Very low48.3Very low159 Ų159163.7 Ų163.785%0.8585%0.85SS**  trans81.9146.3177-53-45.9000115.5
401S43.3Very low48.9Very low111 Ų111163.2 Ų163.278%0.77685%0.848SS**  cis-150.6161.3-0.438.50000111.1
402E57.6Low49.4Very low182 Ų182160.7 Ų160.785%0.8584%0.84SS**  trans-67.5130.6160.8-62.8165134.600109.8
403D53Low50Low153 Ų153156.4 Ų156.482%0.81883%0.832SS**  165.4163.3123.2-97.2-27.2000112.9
404D52.6Low50.7Low157 Ų157157.7 Ų157.784%0.8483%0.83SS**  trans74.7110.2170.6-63.6-27.4000119.5
405E66.9Low51.5Low190 Ų190158.2 Ų158.289%0.88883%0.829SS**  trans-74.3134.5164.8-56.6-176.6160.100110.8
406E55.3Low52.6Low192 Ų192158.5 Ų158.590%0.89783%0.828SS**  trans-163.3126.2148.3-114.2170.5-14700112.4
407D52.7Low53.5Low152 Ų152155.4 Ų155.481%0.81382%0.82SS**  trans37.994.9165.5-75.1-23.9000121.1S409D407-S409 PolarHBondContact O-N 3.41Å
408E49Very low54.9Low206 Ų206152.9 Ų152.996%0.96382%0.816SS**  trans-64.298.5162.6-79.2-161.1137.400112.7
409S64.8Low55.7Low94 Ų94152.7 Ų152.766%0.65781%0.813SS**  trans-88.3130.5155.8-67.90000110.1D407 I411D407-S409 PolarHBondContact O-N 3.41Å; S409-I411 PolarHBondContact O-N 3.45Å
410P58.6Low56.5Low133 Ų133149 Ų14986%0.86481%0.812SS**  trans-73.192.6-176.128.5-34.9000112
411I54.8Low57.7Low153 Ų153145.9 Ų145.979%0.78580%0.798SS**  trans-69.8129175.1-58.9177.9000109.3S409 S413S409-I411 PolarHBondContact O-N 3.45Å; I411-S413 PolarHBondContact O-N 2.78Å
412P53.1Low58.4Low110 Ų110144.8 Ų144.871%0.71479%0.789SS**  trans-67.1125.8-177.326.2-34.4000111.7T414P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.1Å
413S52.4Low58.7Low109 Ų109140.9 Ų140.976%0.76278%0.777SS**  trans-59112.3-179.352.60000112.3I411 K415I411-S413 PolarHBondContact O-N 2.78Å; S413-K415 PolarHBondContact O-N 3.47Å; S413-K415 VanDerWaalsContact O-N 3.14Å
414T57.3Low59.2Low125 Ų125138.7 Ų138.777%0.76777%0.769SS**  trans-73106.5176.145.10000109.5P412 K416P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.1Å; T414-K416 PolarHBondContact O-N 2.87Å
415K62.9Low59.7Low191 Ų191136.8 Ų136.883%0.8376%0.755SS**  trans-64.198.7178.5-67.2179.8179.9178.60110.1S413 V417S413-K415 PolarHBondContact O-N 3.47Å; S413-K415 VanDerWaalsContact O-N 3.14Å; K415-V417 PolarHBondContact O-N 2.91Å
416K60.9Low59.5Low201 Ų201135.5 Ų135.587%0.87474%0.742SS**  trans-64115168.6-68.6-174177.7-176.40108.8T414T414-K416 PolarHBondContact O-N 2.87Å
417V57.8Low60.3Low110 Ų110131.1 Ų131.167%0.66772%0.724SS**  trans-90.6104.9174.6-178.40000107.6K415 F419K415-V417 PolarHBondContact O-N 2.91Å; V417-F419 PolarHBondContact O-N 3.05Å
418S67.6Low61.5Low115 Ų115128.4 Ų128.480%0.80471%0.71SS**PPolyproline II helixtrans-76.8117.1175.755.30000110.4
419F61.6Low63.2Low189 Ų189124.3 Ų124.383%0.82969%0.689SS**PPolyproline II helixtrans-73.6146.2173.3-68-87000111.1V417V417-F419 PolarHBondContact O-N 3.05Å
420A65.1Low64.1Low97 Ų97126.4 Ų126.480%0.80268%0.682SS**PPolyproline II helixtrans-79.4133.5-17100000112.7
421V65.1Low65.5Low93 Ų93124.1 Ų124.156%0.56466%0.663SS**PPolyproline II helixtrans-53.8136.3-178.5-1800000112.8
422P57.1Low67.1Low88 Ų88122.4 Ų122.457%0.57165%0.651SS**PPolyproline II helixtrans-52.8135.1-175.1-30.235.9000116V424P422-V424 VanDerWaalsContact C-N 3.3Å; P422-V424 PolarHBondContact O-N 3.36Å
423V63.7Low68.7Low101 Ų101122.5 Ų122.561%0.61264%0.642SS**THydrogen-bonded Turntrans-67.8-26.4-174.6179.30000113.1Q425 R426V423-Q425 VanDerWaalsContact C-N 3.3Å; V423-Q425 PolarHBondContact O-N 3.48Å; V423-R426 VanDerWaalsContact O-CB 3.3Å; V423-R426 WeakPolarHBondContact O-CB 3.41Å; V423-R426 PolarHBondContact O-N 3.19Å
424V63.6Low70.3Confident107 Ų107120.3 Ų120.365%0.64862%0.621SS**Hα-helixtrans-57.4-39.6-176.7-175.20000112.3P422 R426 L427P422-V424 VanDerWaalsContact C-N 3.3Å; P422-V424 PolarHBondContact O-N 3.36Å; V424-R426 PolarHBondContact O-N 3.15Å; V424-L427 PolarHBondContact O-N 3.49Å
425Q62.7Low71.9Confident116 Ų116117.5 Ų117.554%0.54260%0.601SS.*Hα-helixtrans-64.3-22176.4-66.6-169.95.900113.5V423 K429V423-Q425 VanDerWaalsContact C-N 3.3Å; V423-Q425 PolarHBondContact O-N 3.48Å; Q425-K429 WeakPolarHBondContact O-CG 3.15Å
426R63Low73.4Confident164 Ų164113.9 Ų113.962%0.61959%0.585SS**Hα-helixtrans-78.2-32.3-179.6-58.2-175.8177.4-171.2-1.1112.2V423 V424 R430V423-R426 VanDerWaalsContact O-CB 3.3Å; V423-R426 WeakPolarHBondContact O-CB 3.41Å; V423-R426 PolarHBondContact O-N 3.19Å; V424-R426 PolarHBondContact O-N 3.15Å; R426-R430 WeakPolarHBondContact O-CB 2.8Å; R426-R430 PolarHBondContact O-N 3.34Å; R426-R430 VanDerWaalsContact O-N 3.08Å
427L72.4Confident75Confident100 Ų100109.1 Ų109.152%0.52457%0.569SS.*Hα-helixtrans-66-46.8178.1-89.6154.6000111.8V424 R430 N431V424-L427 PolarHBondContact O-N 3.49Å; L427-R430 PolarHBondContact O-N 3.34Å; L427-N431 PolarHBondContact O-N 3.4Å
428N77.6Confident76.8Confident94 Ų94106.1 Ų106.150%0.50355%0.548SS..Hα-helixtrans-63-47.7178.9-69.1-8000111.5R430 N431 E432N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 3.21Å; N428-N431 PolarHBondContact O-N 3.5Å; N428-N431 VanDerWaalsContact O-N 3.12Å; N428-E432 WeakPolarHBondContact O-CG 3.25Å; N428-E432 PolarHBondContact O-N 2.94Å
429K84.8Confident78.1Confident121 Ų121106.3 Ų106.353%0.52654%0.539SS..Hα-helixtrans-57.5-37.9175.2-72.6174.5178.8171.40112.8Q425 Q433Q425-K429 WeakPolarHBondContact O-CG 3.15Å; K429-Q433 VanDerWaalsContact O-CG 3.28Å; K429-Q433 WeakPolarHBondContact O-CG 3.39Å; K429-Q433 PolarHBondContact O-N 3.43Å; K429-Q433 VanDerWaalsContact O-N 3.13Å
430R84.1Confident79.8Confident137 Ų13797.3 Ų97.352%0.51750%0.499SS..Hα-helixtrans-69.7-43.6175.4-171.7178.1-178.1-176.8-1.1111.8R426 L427 N428 Q433 M434R426-R430 WeakPolarHBondContact O-CB 2.8Å; R426-R430 PolarHBondContact O-N 3.34Å; R426-R430 VanDerWaalsContact O-N 3.08Å; L427-R430 PolarHBondContact O-N 3.34Å; N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 3.21Å; R430-Q433 PolarHBondContact O-N 3.31Å; R430-M434 HydrophobicContact CG-CG 4.5Å; R430-M434 VanDerWaalsContact O-CG 3.26Å; R430-M434 WeakPolarHBondContact O-CG 3.29Å; R430-M434 PolarHBondContact O-N 2.93Å
431N87.4Confident81.3Confident85 Ų8598.3 Ų98.346%0.45549%0.485SS..Hα-helixtrans-64.7-40.7178.1-77-20.8000112.1L427 N428 M434 N435L427-N431 PolarHBondContact O-N 3.4Å; N428-N431 PolarHBondContact O-N 3.5Å; N428-N431 VanDerWaalsContact O-N 3.12Å; N431-M434 PolarHBondContact O-N 3.31Å; N431-N435 WeakPolarHBondContact O-CB 3.32Å; N431-N435 VanDerWaalsContact O-CG 3.26Å; N431-N435 PolarHBondContact O-N 2.91Å; N431-N435 PolarHBondContact O-ND2 3.45Å; N431-N435 VanDerWaalsContact O-ND2 3.08Å
432E89Confident82.8Confident117 Ų11794.3 Ų94.355%0.54746%0.461SS..Hα-helixtrans-57.5-50.5171.1-73.9165.1-153.100111.3N428 M434 N435 K436N428-E432 WeakPolarHBondContact O-CG 3.25Å; N428-E432 PolarHBondContact O-N 2.94Å; E432-M434 VanDerWaalsContact C-N 3.31Å; E432-M434 PolarHBondContact O-N 2.94Å; E432-N435 PolarHBondContact O-N 2.91Å; E432-N435 VanDerWaalsContact O-N 3.16Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 3.11Å
433Q86.5Confident84.7Confident113 Ų11394.4 Ų94.453%0.52846%0.457SS..Hα-helixtrans-57.6-42.1175.8-73.4173.58.700112.5K429 R430 N435 K436K429-Q433 VanDerWaalsContact O-CG 3.28Å; K429-Q433 WeakPolarHBondContact O-CG 3.39Å; K429-Q433 PolarHBondContact O-N 3.43Å; K429-Q433 VanDerWaalsContact O-N 3.13Å; R430-Q433 PolarHBondContact O-N 3.31Å; Q433-N435 VanDerWaalsContact C-N 3.29Å; Q433-N435 PolarHBondContact O-N 2.66Å; Q433-K436 PolarHBondContact O-N 3.18Å
434M86.6Confident86.3Confident63 Ų6392 Ų9231%0.3144%0.438SS..Hα-helixtrans-68.2-27.8179-70-65.4-69.500113.5R430 N431 E432 L455 R456R430-M434 HydrophobicContact CG-CG 4.5Å; R430-M434 VanDerWaalsContact O-CG 3.26Å; R430-M434 WeakPolarHBondContact O-CG 3.29Å; R430-M434 PolarHBondContact O-N 2.93Å; N431-M434 PolarHBondContact O-N 3.31Å; E432-M434 VanDerWaalsContact C-N 3.31Å; E432-M434 PolarHBondContact O-N 2.94Å; M434-L455 HydrophobicContact CE-CB 4.16Å; M434-L455 PolarHBondContact O-N 2.89Å; M434-L455 HydrophobicContact SD-CB 3.81Å; M434-L455 HydrophobicContact SD-CD2 4.23Å; M434-R456 HydrophobicContact CB-CB 4.46Å; M434-R456 WeakPolarHBondContact O-CB 3.23Å; M434-R456 PolarHBondContact O-N 2.82Å
435N90.8Very high87.7Confident65 Ų6595.6 Ų95.635%0.34845%0.448SS..Hα-helixtrans-93.6-7.6-178.7-71.4-35000114N431 E432 Q433 N437 R456N431-N435 WeakPolarHBondContact O-CB 3.32Å; N431-N435 VanDerWaalsContact O-CG 3.26Å; N431-N435 PolarHBondContact O-N 2.91Å; N431-N435 PolarHBondContact O-ND2 3.45Å; N431-N435 VanDerWaalsContact O-ND2 3.08Å; E432-N435 PolarHBondContact O-N 2.91Å; E432-N435 VanDerWaalsContact O-N 3.16Å; Q433-N435 VanDerWaalsContact C-N 3.29Å; Q433-N435 PolarHBondContact O-N 2.66Å; N435-N437 PolarHBondContact O-N 2.97Å; N435-R456 WeakPolarHBondContact OD1-CD 3.45Å
436K94.5Very high89.3Confident116 Ų11694 Ų9450%0.50446%0.463SS..  trans-57.7129.7175.1-80.9173.6-172.1-173.60110.5E432 Q433 H438E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 3.11Å; Q433-K436 PolarHBondContact O-N 3.18Å; K436-H438 PolarHBondContact O-CD2 2.78Å; K436-H438 VanDerWaalsContact O-CD2 3.27Å; K436-H438 PolarHBondContact O-N 3.13Å
437N95Very high90.9Very high100 Ų10087.1 Ų87.154%0.53544%0.44SS..EExtended strand (participates in β ladder)trans-78118.3172.7-72.5-20.8000109.1N435 K454N435-N437 PolarHBondContact O-N 2.97Å; N437-K454 WeakPolarHBondContact OD1-CE 3.5Å; N437-K454 VanDerWaalsContact OD1-CG 3.25Å; N437-K454 WeakPolarHBondContact OD1-CG 3.43Å
438H94.3Very high91.9Very high48 Ų4891.5 Ų91.522%0.22246%0.455CS..EExtended strand (participates in β ladder)trans-104.4123.1170.2-63.8-84.7000108.7K436 I440 W453 L455 I535K436-H438 PolarHBondContact O-CD2 2.78Å; K436-H438 VanDerWaalsContact O-CD2 3.27Å; K436-H438 PolarHBondContact O-N 3.13Å; H438-I440 HydrophobicContact CB-CG1 4.46Å; H438-I440 PolarHBondContact O-N 2.89Å; H438-W453 HydrophobicContact CB-CE3 4.2Å; H438-W453 PolarHBondContact N-O 3.27Å; H438-W453 PolarHBondContact O-N 3.38Å; H438-L455 WeakPolarHBondContact CD2-CD1 3.35Å; H438-L455 WeakPolarHBondContact NE2-CD1 3.38Å; H438-I535 HydrophobicContact CB-CG2 4.05Å; H438-I535 WeakPolarHBondContact ND1-CG2 3.27Å
439I96Very high92.8Very high118 Ų11892.4 Ų92.461%0.60546%0.456SS*.EExtended strand (participates in β ladder)trans-86.7109174.5-58.9177.9000107I450I439-I450 HydrophobicContact CG2-CG2 3.35Å
440I96.6Very high93.4Very high0 Ų091.3 Ų91.30%046%0.455CS..EExtended strand (participates in β ladder)trans-107.4122.8-179.1-65.1177.1000107.3H438 L451 W453 L462 F529 H532 I536H438-I440 HydrophobicContact CB-CG1 4.46Å; H438-I440 PolarHBondContact O-N 2.89Å; I440-L451 PolarHBondContact N-O 2.87Å; I440-L451 PolarHBondContact O-N 3.3Å; I440-W453 HydrophobicContact CD1-CB 3.83Å; I440-W453 HydrophobicContact CD1-CD2 3.89Å; I440-W453 HydrophobicContact CD1-CE3 3.58Å; I440-W453 HydrophobicContact CD1-CG 4.02Å; I440-W453 HydrophobicContact CD1-CZ3 4.41Å; I440-W453 HydrophobicContact CG1-CB 4.43Å; I440-L462 HydrophobicContact CD1-CD1 3.92Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å; I440-L462 HydrophobicContact CG2-CD2 4.3Å; I440-F529 HydrophobicContact CG2-CD1 3.41Å; I440-F529 VanDerWaalsContact CG2-CD1 3.41Å; I440-F529 HydrophobicContact CG2-CE1 3.66Å; I440-F529 HydrophobicContact CG2-CG 4.47Å; I440-H532 HydrophobicContact CG2-CB 4.17Å; I440-I536 HydrophobicContact CD1-CD1 4.05Å; I440-I536 HydrophobicContact CD1-CG1 3.7Å
441K96.9Very high93.9Very high118 Ų11886.7 Ų86.751%0.51344%0.44SS..EExtended strand (participates in β ladder)trans-90.1144173-59.6-171.2179.1-178.30108.6I450 H532K441-I450 HydrophobicContact CG-CG1 4.25Å; K441-I450 HydrophobicContact CG-CG2 4.43Å; K441-H532 PolarHBondContact N-NE2 3.38Å; K441-H532 PolarHBondContact O-CD2 3.5Å; K441-H532 VanDerWaalsContact O-CD2 3.25Å; K441-H532 PolarHBondContact O-NE2 2.99Å
442C97.3Very high94.3Very high9 Ų986.1 Ų86.16%0.06144%0.443CS..  trans-78.5135.6166.2-168.90000109.2F444 C447 Q449 H465C442-F444 VanDerWaalsContact SG-CB 3.57Å; C442-F444 PolarHBondContact SG-N 2.8Å; C442-C447 HydrophobicContact CB-CB 4.18Å; C442-Q449 PolarHBondContact N-O 3.21Å; C442-H465 WeakPolarHBondContact CB-NE2 3.36Å; C442-H465 PolarHBondContact SG-NE2 3.15Å
443N96.4Very high94.6Very high91 Ų9181 Ų8149%0.48742%0.418SS..  trans-104.66.6177.2-76.944000112.6C528N443-C528 PolarHBondContact N-O 3.35Å
444F95.9Very high95Very high49 Ų4978.1 Ų78.122%0.21540%0.404CS..SBendtrans-66.6145.1176.6-161.8-88.3000110.9C442 G446 C447 H469 L524 K527C442-F444 VanDerWaalsContact SG-CB 3.57Å; C442-F444 PolarHBondContact SG-N 2.8Å; F444-G446 PolarHBondContact O-N 3.24Å; F444-C447 HydrophobicContact CB-CB 3.99Å; F444-C447 WeakPolarHBondContact O-CB 3.47Å; F444-C447 PolarHBondContact O-N 3.08Å; F444-H469 HydrophobicContact CD1-CB 3.87Å; F444-H469 AromaticContact CD1-CG 3.58Å; F444-H469 AromaticContact CD1-ND1 3.53Å; F444-H469 HydrophobicContact CD2-CB 4.09Å; F444-H469 AromaticContact CD2-CG 4Å; F444-H469 HydrophobicContact CE1-CB 3.69Å; F444-H469 AromaticContact CE1-CG 3.94Å; F444-H469 HydrophobicContact CE2-CB 3.9Å; F444-H469 HydrophobicContact CG-CB 4.08Å; F444-H469 AromaticContact CG-CD2 3.99Å; F444-H469 AromaticContact CG-CG 3.62Å; F444-H469 AromaticContact CG-ND1 3.89Å; F444-H469 HydrophobicContact CZ-CB 3.7Å; F444-L524 HydrophobicContact CE2-CD2 3.99Å; F444-K527 HydrophobicContact CD2-CB 4.02Å; F444-K527 HydrophobicContact CE2-CB 4.4Å; F444-K527 HydrophobicContact CE2-CD 4.23Å
445E95Very high95.1Very high183 Ų18377.7 Ų77.786%0.85540%0.403SS*.THydrogen-bonded Turntrans-60.4128.9-175.1-64.9-178.7-170.400111.2C447E445-C447 PolarHBondContact O-N 2.98Å; E445-C447 VanDerWaalsContact O-N 3.15Å
446G94.7Very high95Very high82 Ų8283 Ų8385%0.84542%0.418SS*.THydrogen-bonded Turntrans76.2-18.2-172.900000115.6F444 K448F444-G446 PolarHBondContact O-N 3.24Å; G446-K448 PolarHBondContact O-N 3.14Å
447C96.3Very high94.7Very high21 Ų2182.3 Ų82.314%0.14241%0.413CS..  trans-78.6121.5179.4-1670000112.2C442 F444 E445 Q449 H469C442-C447 HydrophobicContact CB-CB 4.18Å; F444-C447 HydrophobicContact CB-CB 3.99Å; F444-C447 WeakPolarHBondContact O-CB 3.47Å; F444-C447 PolarHBondContact O-N 3.08Å; E445-C447 PolarHBondContact O-N 2.98Å; E445-C447 VanDerWaalsContact O-N 3.15Å; C447-Q449 PolarHBondContact SG-N 3.43Å; C447-H469 PolarHBondContact SG-CE1 3.31Å
448K94.9Very high94.4Very high192 Ų19278.9 Ų78.984%0.83540%0.401SS*.  trans-108.815.2174.4-61.3177.7-174.8171.20113G446G446-K448 PolarHBondContact O-N 3.14Å
449Q96.2Very high94.2Very high113 Ų11379 Ų7953%0.52840%0.401SS..  trans-70.5138.6-175.1-68.6-65.3-14.500112C442 C447C442-Q449 PolarHBondContact N-O 3.21Å; C447-Q449 PolarHBondContact SG-N 3.43Å
450I96.4Very high93.9Very high98 Ų9876.3 Ų76.350%0.50339%0.386SS..EExtended strand (participates in β ladder)trans-120.7115.4179.1-54.5-176.7000107.9I439 K441I439-I450 HydrophobicContact CG2-CG2 3.35Å; K441-I450 HydrophobicContact CG-CG1 4.25Å; K441-I450 HydrophobicContact CG-CG2 4.43Å
451L95.9Very high93.7Very high40 Ų4083.2 Ų83.221%0.20941%0.412CS..EExtended strand (participates in β ladder)trans-101.7123.6-175.6-59176.3000110.2I440 W453 L462 H465 F529I440-L451 PolarHBondContact N-O 2.87Å; I440-L451 PolarHBondContact O-N 3.3Å; L451-W453 PolarHBondContact O-N 3.34Å; L451-L462 HydrophobicContact CB-CD2 4.49Å; L451-L462 HydrophobicContact CD1-CD2 3.77Å; L451-H465 HydrophobicContact CD1-CB 3.79Å; L451-F529 HydrophobicContact CD1-CE1 3.91Å; L451-F529 HydrophobicContact CD1-CZ 3.7Å
452S95.2Very high93.6Very high72 Ų7277.6 Ų77.650%0.50339%0.387SS..EExtended strand (participates in β ladder)trans-82.6106.8166.7-173.50000109.2
453W95.6Very high93.3Very high9 Ų977.5 Ų77.53%0.03439%0.386CS..EExtended strand (participates in β ladder)trans-115.7134.2-173.6-176.769.8000111.4H438 I440 L451 L455 G458 L462 I536H438-W453 HydrophobicContact CB-CE3 4.2Å; H438-W453 PolarHBondContact N-O 3.27Å; H438-W453 PolarHBondContact O-N 3.38Å; I440-W453 HydrophobicContact CD1-CB 3.83Å; I440-W453 HydrophobicContact CD1-CD2 3.89Å; I440-W453 HydrophobicContact CD1-CE3 3.58Å; I440-W453 HydrophobicContact CD1-CG 4.02Å; I440-W453 HydrophobicContact CD1-CZ3 4.41Å; I440-W453 HydrophobicContact CG1-CB 4.43Å; L451-W453 PolarHBondContact O-N 3.34Å; W453-L455 HydrophobicContact CE3-CD1 4.3Å; W453-L455 HydrophobicContact CH2-CB 4.45Å; W453-L455 HydrophobicContact CH2-CD1 4.1Å; W453-L455 HydrophobicContact CH2-CG 3.85Å; W453-L455 HydrophobicContact CZ3-CD1 3.67Å; W453-L455 HydrophobicContact CZ3-CG 3.96Å; W453-G458 PolarHBondContact NE1-O 3.46Å; W453-L462 HydrophobicContact CB-CD2 4.47Å; W453-L462 HydrophobicContact CD2-CD1 4.13Å; W453-L462 HydrophobicContact CG-CD1 4.29Å; W453-L462 HydrophobicContact CG-CD2 4.29Å; W453-L462 HydrophobicContact CG-CG 4.35Å; W453-L462 HydrophobicContact CZ2-CD1 4.43Å; W453-I536 HydrophobicContact CZ3-CG1 4.5Å
454K93.9Very high93.1Very high53 Ų5374.5 Ų74.523%0.2337%0.37CS..EExtended strand (participates in β ladder)trans-111142.7167.6-62.2179-172.7160.90107.9N437 R456 Y457N437-K454 WeakPolarHBondContact OD1-CE 3.5Å; N437-K454 VanDerWaalsContact OD1-CG 3.25Å; N437-K454 WeakPolarHBondContact OD1-CG 3.43Å; K454-R456 PolarHBondContact O-N 2.89Å; K454-R456 VanDerWaalsContact O-N 3.12Å; K454-Y457 HydrophobicContact CB-CD2 3.74Å; K454-Y457 HydrophobicContact CB-CE2 3.86Å; K454-Y457 HydrophobicContact CB-CG 4.28Å; K454-Y457 HydrophobicContact CD-CD2 4.36Å; K454-Y457 HydrophobicContact CD-CE2 3.61Å; K454-Y457 HydrophobicContact CG-CD2 4.09Å; K454-Y457 HydrophobicContact CG-CE2 3.71Å; K454-Y457 PolarHBondContact NZ-OH 3.21Å; K454-Y457 VanDerWaalsContact NZ-OH 3.08Å; K454-Y457 PolarHBondContact O-N 2.92Å
455L89.4Confident93Very high55 Ų5573.1 Ų73.129%0.28836%0.364SS..G310 helixtrans-54.8-34.1175-81.371.7000111.4M434 H438 W453 Y457 G458M434-L455 HydrophobicContact CE-CB 4.16Å; M434-L455 PolarHBondContact O-N 2.89Å; M434-L455 HydrophobicContact SD-CB 3.81Å; M434-L455 HydrophobicContact SD-CD2 4.23Å; H438-L455 WeakPolarHBondContact CD2-CD1 3.35Å; H438-L455 WeakPolarHBondContact NE2-CD1 3.38Å; W453-L455 HydrophobicContact CE3-CD1 4.3Å; W453-L455 HydrophobicContact CH2-CB 4.45Å; W453-L455 HydrophobicContact CH2-CD1 4.1Å; W453-L455 HydrophobicContact CH2-CG 3.85Å; W453-L455 HydrophobicContact CZ3-CD1 3.67Å; W453-L455 HydrophobicContact CZ3-CG 3.96Å; L455-Y457 PolarHBondContact O-N 3.32Å; L455-G458 PolarHBondContact O-N 3.49Å
456R89.5Confident92.9Very high177 Ų17764.4 Ų64.467%0.66832%0.324SS*.G310 helixtrans-59.3-26.5175.2-166173.4-171.8-176.43.1114.7M434 N435 K454 G458M434-R456 HydrophobicContact CB-CB 4.46Å; M434-R456 WeakPolarHBondContact O-CB 3.23Å; M434-R456 PolarHBondContact O-N 2.82Å; N435-R456 WeakPolarHBondContact OD1-CD 3.45Å; K454-R456 PolarHBondContact O-N 2.89Å; K454-R456 VanDerWaalsContact O-N 3.12Å; R456-G458 VanDerWaalsContact C-N 3.25Å; R456-G458 PolarHBondContact O-N 3.27Å
457Y87.6Confident92.8Very high101 Ų10160.7 Ų60.740%0.39628%0.284SS..G310 helixtrans-81-4.8176.7-58.7-37.5000113.3K454 L455K454-Y457 HydrophobicContact CB-CD2 3.74Å; K454-Y457 HydrophobicContact CB-CE2 3.86Å; K454-Y457 HydrophobicContact CB-CG 4.28Å; K454-Y457 HydrophobicContact CD-CD2 4.36Å; K454-Y457 HydrophobicContact CD-CE2 3.61Å; K454-Y457 HydrophobicContact CG-CD2 4.09Å; K454-Y457 HydrophobicContact CG-CE2 3.71Å; K454-Y457 PolarHBondContact NZ-OH 3.21Å; K454-Y457 VanDerWaalsContact NZ-OH 3.08Å; K454-Y457 PolarHBondContact O-N 2.92Å; L455-Y457 PolarHBondContact O-N 3.32Å
458G88.7Confident92.6Very high27 Ų2763.2 Ų63.228%0.27830%0.299SS..  trans65.9177.4-179.800000113.6W453 L455 R456 Q460W453-G458 PolarHBondContact NE1-O 3.46Å; L455-G458 PolarHBondContact O-N 3.49Å; R456-G458 VanDerWaalsContact C-N 3.25Å; R456-G458 PolarHBondContact O-N 3.27Å; G458-Q460 PolarHBondContact O-N 3.3Å
459K90.6Very high92.4Very high50 Ų5055.7 Ų55.722%0.21727%0.267CS..THydrogen-bonded Turntrans-76.3-5.3-176-55.6-167.1-175.8-166.80113.8R461 L462 L463 I536 G537 N538 I539K459-R461 PolarHBondContact O-N 2.92Å; K459-L462 PolarHBondContact O-N 3.21Å; K459-L463 PolarHBondContact O-N 3.18Å; K459-I536 HydrophobicContact CD-CG2 3.94Å; K459-I536 WeakPolarHBondContact CE-O 3.01Å; K459-I536 HydrophobicContact CG-CG2 4.33Å; K459-I536 PolarHBondContact NZ-O 3.2Å; K459-G537 PolarHBondContact NZ-O 3.33Å; K459-N538 PolarHBondContact NZ-O 3.11Å; K459-I539 HydrophobicContact CD-CG1 3.82Å
460Q89.4Confident92Very high62 Ų6252.6 Ų52.629%0.2925%0.252SS..Hα-helixtrans-60.3-46.1-173.8-171.7162.58.300112.9G458 L462 L463 D464 H487 I508G458-Q460 PolarHBondContact O-N 3.3Å; Q460-L462 VanDerWaalsContact C-N 3.25Å; Q460-L462 PolarHBondContact O-N 2.94Å; Q460-L463 CarbonylContact O-C 3.59Å; Q460-L463 WeakPolarHBondContact O-CB 3.38Å; Q460-L463 PolarHBondContact O-N 3.37Å; Q460-L463 VanDerWaalsContact O-N 3.11Å; Q460-D464 PolarHBondContact O-N 2.99Å; Q460-H487 PolarHBondContact NE2-CD2 2.95Å; Q460-H487 PolarHBondContact NE2-CE1 3.43Å; Q460-H487 VanDerWaalsContact NE2-CE1 3.35Å; Q460-H487 PolarHBondContact NE2-ND1 3.37Å; Q460-H487 PolarHBondContact NE2-NE2 3Å; Q460-I508 HydrophobicContact CB-CD1 3.75Å; Q460-I508 HydrophobicContact CB-CG1 4.08Å; Q460-I508 HydrophobicContact CG-CG1 4.42Å
461R91.9Very high91.3Very high145 Ų14555.6 Ų55.655%0.54727%0.27SS..Hα-helixtrans-62.1-31.5178.4-73.7-173.9168-163.4-5.5114K459 H465K459-R461 PolarHBondContact O-N 2.92Å; R461-H465 PolarHBondContact O-N 3.29Å
462L94.2Very high90.8Very high1 Ų160.3 Ų60.31%0.00529%0.291CS..Hα-helixtrans-74.1-43175.7-58.6177.3000109.6I440 L451 W453 K459 Q460 H465 A466 F525 F529 I536I440-L462 HydrophobicContact CD1-CD1 3.92Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å; I440-L462 HydrophobicContact CG2-CD2 4.3Å; L451-L462 HydrophobicContact CB-CD2 4.49Å; L451-L462 HydrophobicContact CD1-CD2 3.77Å; W453-L462 HydrophobicContact CB-CD2 4.47Å; W453-L462 HydrophobicContact CD2-CD1 4.13Å; W453-L462 HydrophobicContact CG-CD1 4.29Å; W453-L462 HydrophobicContact CG-CD2 4.29Å; W453-L462 HydrophobicContact CG-CG 4.35Å; W453-L462 HydrophobicContact CZ2-CD1 4.43Å; K459-L462 PolarHBondContact O-N 3.21Å; Q460-L462 VanDerWaalsContact C-N 3.25Å; Q460-L462 PolarHBondContact O-N 2.94Å; L462-H465 PolarHBondContact O-N 3.43Å; L462-A466 PolarHBondContact O-N 3.16Å; L462-F525 HydrophobicContact CB-CE2 3.57Å; L462-F525 HydrophobicContact CB-CZ 3.81Å; L462-F525 HydrophobicContact CD1-CZ 4.22Å; L462-F529 HydrophobicContact CB-CD2 4.29Å; L462-F529 HydrophobicContact CB-CE2 3.87Å; L462-F529 HydrophobicContact CB-CZ 4.14Å; L462-F529 HydrophobicContact CD2-CE1 4.07Å; L462-F529 HydrophobicContact CD2-CZ 3.98Å; L462-F529 WeakPolarHBondContact O-CE2 3.35Å; L462-I536 HydrophobicContact CD1-CD1 3.82Å; L462-I536 HydrophobicContact CD1-CG1 3.79Å; L462-I536 HydrophobicContact CD1-CG2 3.98Å
463L91.9Very high90.2Very high6 Ų663.2 Ų63.23%0.03129%0.294CS..Hα-helixtrans-59.5-52.4173.5175.459.5000111.5K459 Q460 H465 A466 M467 I508 V511 F512 I521K459-L463 PolarHBondContact O-N 3.18Å; Q460-L463 CarbonylContact O-C 3.59Å; Q460-L463 WeakPolarHBondContact O-CB 3.38Å; Q460-L463 PolarHBondContact O-N 3.37Å; Q460-L463 VanDerWaalsContact O-N 3.11Å; L463-H465 PolarHBondContact O-N 3.49Å; L463-H465 VanDerWaalsContact O-N 3.13Å; L463-A466 WeakPolarHBondContact O-CA 3.49Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.37Å; L463-M467 HydrophobicContact CD1-CG 4.18Å; L463-M467 HydrophobicContact CD1-SD 4.1Å; L463-M467 HydrophobicContact CG-CG 4.45Å; L463-M467 VanDerWaalsContact O-CG 3.29Å; L463-M467 WeakPolarHBondContact O-CG 3.46Å; L463-M467 PolarHBondContact O-N 3.37Å; L463-I508 HydrophobicContact CD2-CG2 3.93Å; L463-V511 HydrophobicContact CD1-CG1 4.46Å; L463-V511 HydrophobicContact CD2-CB 3.97Å; L463-V511 HydrophobicContact CD2-CG1 3.83Å; L463-V511 HydrophobicContact CG-CG1 4.48Å; L463-F512 HydrophobicContact CB-CE2 4.47Å; L463-F512 HydrophobicContact CB-CZ 4.13Å; L463-F512 HydrophobicContact CD1-CD1 4.29Å; L463-F512 HydrophobicContact CD1-CE1 3.79Å; L463-F512 HydrophobicContact CD1-CE2 4.46Å; L463-F512 HydrophobicContact CD1-CZ 3.87Å; L463-F512 HydrophobicContact CD2-CD2 4.32Å; L463-F512 HydrophobicContact CD2-CE2 4.05Å; L463-F512 HydrophobicContact CD2-CZ 4.25Å; L463-F512 HydrophobicContact CG-CZ 4.31Å; L463-I521 HydrophobicContact CD1-CG2 3.53Å
464D92Very high89.5Confident28 Ų2863.2 Ų63.215%0.1530%0.295CS..Hα-helixtrans-53.6-35177-73.9-42.4000112Q460 T468 H487Q460-D464 PolarHBondContact O-N 2.99Å; D464-T468 WeakPolarHBondContact O-CG2 3.46Å; D464-H487 WeakPolarHBondContact OD1-CB 3.41Å; D464-H487 PolarHBondContact OD1-N 3.47Å; D464-H487 VanDerWaalsContact OD1-N 3.11Å
465H94.3Very high89.2Confident21 Ų2160.9 Ų60.910%0.09729%0.285CS..Hα-helixtrans-72.8-41.8172179.169.6000113.3C442 L451 R461 L462 L463 M467 T468 H469 F529C442-H465 WeakPolarHBondContact CB-NE2 3.36Å; C442-H465 PolarHBondContact SG-NE2 3.15Å; L451-H465 HydrophobicContact CD1-CB 3.79Å; R461-H465 PolarHBondContact O-N 3.29Å; L462-H465 PolarHBondContact O-N 3.43Å; L463-H465 PolarHBondContact O-N 3.49Å; L463-H465 VanDerWaalsContact O-N 3.13Å; H465-M467 PolarHBondContact O-N 2.95Å; H465-T468 WeakPolarHBondContact O-CB 3.27Å; H465-T468 PolarHBondContact O-N 3.43Å; H465-T468 PolarHBondContact O-OG1 3.36Å; H465-H469 AromaticContact CD2-NE2 3.58Å; H465-H469 AromaticContact CE1-CE1 3.82Å; H465-H469 AromaticContact CE1-NE2 3.45Å; H465-H469 PolarHBondContact CE1-NE2 2.97Å; H465-H469 AromaticContact NE2-CE1 3.66Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.39Å; H465-H469 PolarHBondContact O-CD2 3.2Å; H465-F529 HydrophobicContact CB-CZ 4.29Å; H465-F529 AromaticContact CD2-CZ 3.52Å
466A93.6Very high89.3Confident0 Ų062.2 Ų62.20%030%0.296CS..Hα-helixtrans-57.5-38.9175.400000111.2L462 L463 T468 H469 F525 F529L462-A466 PolarHBondContact O-N 3.16Å; L463-A466 WeakPolarHBondContact O-CA 3.49Å; L463-A466 WeakPolarHBondContact O-CB 3.43Å; L463-A466 PolarHBondContact O-N 3.37Å; A466-T468 PolarHBondContact O-N 2.95Å; A466-H469 PolarHBondContact O-N 3.34Å; A466-F525 HydrophobicContact CB-CB 4.38Å; A466-F525 HydrophobicContact CB-CD2 4.14Å; A466-F529 HydrophobicContact CB-CE2 4.34Å
467M90.9Very high89.5Confident4 Ų454.2 Ų54.22%0.0227%0.267CS..THydrogen-bonded Turntrans-66.4-8.9174-55.8-61.1-67.900114.5L463 H465 C474 S485 I521L463-M467 HydrophobicContact CD1-CG 4.18Å; L463-M467 HydrophobicContact CD1-SD 4.1Å; L463-M467 HydrophobicContact CG-CG 4.45Å; L463-M467 VanDerWaalsContact O-CG 3.29Å; L463-M467 WeakPolarHBondContact O-CG 3.46Å; L463-M467 PolarHBondContact O-N 3.37Å; H465-M467 PolarHBondContact O-N 2.95Å; M467-C474 HydrophobicContact CE-CB 3.3Å; M467-S485 VanDerWaalsContact CB-O 3.32Å; M467-S485 WeakPolarHBondContact CB-O 3.45Å; M467-I521 HydrophobicContact CE-CD1 3.75Å; M467-I521 HydrophobicContact CE-CG1 4.4Å; M467-I521 HydrophobicContact SD-CD1 3.64Å; M467-I521 HydrophobicContact SD-CG1 3.92Å; M467-I521 HydrophobicContact SD-CG2 3.84Å
468T92.1Very high89.7Confident73 Ų7357.3 Ų57.345%0.44828%0.278SS..THydrogen-bonded Turntrans-85.6-10.9173.862.90000113.9D464 H465 A466 T486D464-T468 WeakPolarHBondContact O-CG2 3.46Å; H465-T468 WeakPolarHBondContact O-CB 3.27Å; H465-T468 PolarHBondContact O-N 3.43Å; H465-T468 PolarHBondContact O-OG1 3.36Å; A466-T468 PolarHBondContact O-N 2.95Å; T468-T486 HydrophobicContact CG2-CG2 4.37Å
469H91.3Very high89.9Confident34 Ų3459.3 Ų59.316%0.15729%0.285CS..THydrogen-bonded Turntrans-87.9-19.7172.7-57.9-58.2000112.5F444 C447 H465 A466 C528F444-H469 HydrophobicContact CD1-CB 3.87Å; F444-H469 AromaticContact CD1-CG 3.58Å; F444-H469 AromaticContact CD1-ND1 3.53Å; F444-H469 HydrophobicContact CD2-CB 4.09Å; F444-H469 AromaticContact CD2-CG 4Å; F444-H469 HydrophobicContact CE1-CB 3.69Å; F444-H469 AromaticContact CE1-CG 3.94Å; F444-H469 HydrophobicContact CE2-CB 3.9Å; F444-H469 HydrophobicContact CG-CB 4.08Å; F444-H469 AromaticContact CG-CD2 3.99Å; F444-H469 AromaticContact CG-CG 3.62Å; F444-H469 AromaticContact CG-ND1 3.89Å; F444-H469 HydrophobicContact CZ-CB 3.7Å; C447-H469 PolarHBondContact SG-CE1 3.31Å; H465-H469 AromaticContact CD2-NE2 3.58Å; H465-H469 AromaticContact CE1-CE1 3.82Å; H465-H469 AromaticContact CE1-NE2 3.45Å; H465-H469 PolarHBondContact CE1-NE2 2.97Å; H465-H469 AromaticContact NE2-CE1 3.66Å; H465-H469 AromaticContact NE2-NE2 2.97Å; H465-H469 PolarHBondContact NE2-NE2 3.39Å; H465-H469 PolarHBondContact O-CD2 3.2Å; A466-H469 PolarHBondContact O-N 3.34Å; H469-C528 PolarHBondContact CD2-SG 2.81Å
470E88.6Confident90.1Very high48 Ų4859.3 Ų59.322%0.22429%0.29CS..  trans-84.8116.4171-151.965.9-171.900109E472 L524E470-E472 HydrophobicContact CG-CB 4.43Å; E470-E472 PolarHBondContact O-N 3.04Å; E470-L524 HydrophobicContact CB-CD1 4.08Å; E470-L524 HydrophobicContact CG-CD1 4.18Å; E470-L524 WeakPolarHBondContact OE2-CD1 3.39Å; E470-L524 WeakPolarHBondContact OE2-CD2 3.38Å
471N80.5Confident90.4Very high162 Ų16265.4 Ų65.487%0.86632%0.319SS*.  trans-71.9-18177.4-67.8-45.3000112
472E85.6Confident90.6Very high139 Ų13962.9 Ų62.965%0.6531%0.31SS*.SBendtrans-83.5140-179.3-59.1-156.5166.200112.8E470 C474E470-E472 HydrophobicContact CG-CB 4.43Å; E470-E472 PolarHBondContact O-N 3.04Å; E472-C474 VanDerWaalsContact C-N 3.28Å; E472-C474 PolarHBondContact O-N 2.89Å; E472-C474 PolarHBondContact O-SG 3.45Å; E472-C474 VanDerWaalsContact O-SG 3.34Å
473K81.9Confident90.5Very high132 Ų13264.5 Ų64.557%0.57432%0.321SS*.  trans-79.176.3-176.7-67.3173.3176.4-1800111.1L475 S483 C484K473-L475 VanDerWaalsContact C-N 3.34Å; K473-L475 PolarHBondContact O-N 3.22Å; K473-S483 WeakPolarHBondContact CB-OG 3.38Å; K473-S483 WeakPolarHBondContact CD-OG 3.48Å; K473-C484 CarbonylContact C-O 3.42Å
474C81.6Confident90.5Very high10 Ų1064.4 Ų64.47%0.06832%0.321CS..  trans-58.7-36.3-175.2-64.60000114.5M467 E472 V476 F516M467-C474 HydrophobicContact CE-CB 3.3Å; E472-C474 VanDerWaalsContact C-N 3.28Å; E472-C474 PolarHBondContact O-N 2.89Å; E472-C474 PolarHBondContact O-SG 3.45Å; E472-C474 VanDerWaalsContact O-SG 3.34Å; C474-V476 PolarHBondContact O-N 3.15Å; C474-F516 HydrophobicContact CB-CE1 4.01Å; C474-F516 HydrophobicContact CB-CE2 3.85Å; C474-F516 HydrophobicContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact O-CZ 3.23Å; C474-F516 WeakPolarHBondContact O-CZ 3.45Å
475L87.7Confident90.4Very high3 Ų364.5 Ų64.52%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-88.8103.1-174.8-56.6179.1000110.2K473 S483 C484 H487 M490 F506 V511 I514K473-L475 VanDerWaalsContact C-N 3.34Å; K473-L475 PolarHBondContact O-N 3.22Å; L475-S483 CarbonylContact O-C 3.55Å; L475-S483 VanDerWaalsContact O-CA 3.28Å; L475-S483 WeakPolarHBondContact O-CA 3.45Å; L475-C484 WeakPolarHBondContact CA-O 3.48Å; L475-C484 WeakPolarHBondContact CB-O 3.38Å; L475-C484 PolarHBondContact N-O 2.83Å; L475-C484 PolarHBondContact O-N 3.45Å; L475-H487 HydrophobicContact CD1-CB 4.48Å; L475-M490 VanDerWaalsContact C-CE 3.45Å; L475-M490 HydrophobicContact CB-CE 3.84Å; L475-M490 WeakPolarHBondContact O-CE 3.35Å; L475-F506 HydrophobicContact CB-CE1 4.49Å; L475-F506 HydrophobicContact CD2-CD1 4.34Å; L475-F506 HydrophobicContact CD2-CE1 4.47Å; L475-V511 HydrophobicContact CD2-CG1 4.07Å; L475-V511 HydrophobicContact CD2-CG2 4.41Å; L475-I514 HydrophobicContact CD2-CD1 4.27Å
476V91.1Very high90.1Very high83 Ų8364.6 Ų64.650%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-92.4137.5174.4-167.60000110.4C474 M490C474-V476 PolarHBondContact O-N 3.15Å; V476-M490 VanDerWaalsContact C-CE 3.41Å
477C93.6Very high89.9Confident9 Ų966.5 Ų66.56%0.06134%0.335CS..  trans-70.2149.4173.6-176.60000110.2T479 C480 Y482 M490 H493 Y494C477-T479 PolarHBondContact SG-N 3.31Å; C477-C480 CarbonylContact C-O 3.53Å; C477-C480 WeakPolarHBondContact CB-O 3.41Å; C477-C480 VanDerWaalsContact O-O 3.13Å; C477-Y482 WeakPolarHBondContact CB-O 3.46Å; C477-Y482 PolarHBondContact N-O 3.42Å; C477-M490 HydrophobicContact CB-CE 4.21Å; C477-M490 HydrophobicContact CB-SD 4Å; C477-H493 PolarHBondContact SG-NE2 2.98Å; C477-Y494 HydrophobicContact CB-CE2 4.41Å; C477-Y494 VanDerWaalsContact SG-CE2 3.53Å
478R91.8Very high89.9Confident167 Ų16769.9 Ų69.963%0.6336%0.357SS*.SBendtrans-89.2-17.1177.9-65.2-178.5177.7154.37.6113.7Y494 D504R478-Y494 PolarHBondContact N-OH 3.45Å; R478-D504 PolarHBondContact NH1-O 2.98Å
479T93.6Very high89.9Confident69 Ų6970.4 Ų70.442%0.42335%0.354SS..SBendtrans-104.4-16.6-172.5-47.30000111.7C477 H498C477-T479 PolarHBondContact SG-N 3.31Å; T479-H498 WeakPolarHBondContact CG2-ND1 3.41Å
480C95.5Very high90Very high50 Ų5068.8 Ų68.834%0.33835%0.347SS..SBendtrans-155174.5171.870.20000111.5C477 Y482 H493 H498C477-C480 CarbonylContact C-O 3.53Å; C477-C480 WeakPolarHBondContact CB-O 3.41Å; C477-C480 VanDerWaalsContact O-O 3.13Å; C480-Y482 PolarHBondContact O-N 3.15Å; C480-H493 PolarHBondContact SG-CE1 3Å; C480-H493 PolarHBondContact SG-NE2 3.19Å; C480-H498 PolarHBondContact SG-NE2 3Å
481E95.3Very high90.2Very high189 Ų18972.5 Ų72.588%0.88336%0.362SS*.SBendtrans-73.18.8-177.6-59.8174.1179.800114.6S483E481-S483 PolarHBondContact O-N 3.18Å
482Y95.1Very high90.9Very high93 Ų9371.5 Ų71.537%0.36535%0.347SS..  trans-69131.3-179.9179.7-100.4000112C477 C480 C484 H493C477-Y482 WeakPolarHBondContact CB-O 3.46Å; C477-Y482 PolarHBondContact N-O 3.42Å; C480-Y482 PolarHBondContact O-N 3.15Å; Y482-C484 HydrophobicContact CE1-CB 3.75Å; Y482-H493 WeakPolarHBondContact CB-CE1 3.47Å; Y482-H493 HydrophobicContact CD1-CB 3.87Å; Y482-H493 AromaticContact CD1-CD2 3.69Å; Y482-H493 AromaticContact CD1-CE1 3.72Å; Y482-H493 AromaticContact CD1-CG 3.33Å; Y482-H493 AromaticContact CD1-ND1 3.35Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.47Å; Y482-H493 AromaticContact CD1-NE2 3.92Å; Y482-H493 HydrophobicContact CE1-CB 3.66Å; Y482-H493 AromaticContact CE1-CG 3.67Å; Y482-H493 AromaticContact CE1-ND1 3.86Å; Y482-H493 AromaticContact CG-CE1 3.54Å; Y482-H493 AromaticContact CG-CG 3.92Å; Y482-H493 AromaticContact CG-ND1 3.43Å
483S93Very high91.4Very high35 Ų3565.5 Ų65.525%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-123.6147.9173640000112.5K473 L475 E481K473-S483 WeakPolarHBondContact CB-OG 3.38Å; K473-S483 WeakPolarHBondContact CD-OG 3.48Å; L475-S483 CarbonylContact O-C 3.55Å; L475-S483 VanDerWaalsContact O-CA 3.28Å; L475-S483 WeakPolarHBondContact O-CA 3.45Å; E481-S483 PolarHBondContact O-N 3.18Å
484C91.7Very high92.1Very high3 Ų359.6 Ų59.62%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-148.6168.8177.564.70000111.7K473 L475 Y482 Q489K473-C484 CarbonylContact C-O 3.42Å; L475-C484 WeakPolarHBondContact CA-O 3.48Å; L475-C484 WeakPolarHBondContact CB-O 3.38Å; L475-C484 PolarHBondContact N-O 2.83Å; L475-C484 PolarHBondContact O-N 3.45Å; Y482-C484 HydrophobicContact CE1-CB 3.75Å; C484-Q489 HydrophobicContact CB-CB 3.88Å
485S89.1Confident92.7Very high31 Ų3166 Ų6622%0.21732%0.323CS..SBendtrans-92.7-28.8-179.449.70000113.5M467 Q489M467-S485 VanDerWaalsContact CB-O 3.32Å; M467-S485 WeakPolarHBondContact CB-O 3.45Å; S485-Q489 PolarHBondContact OG-OE1 3.07Å
486T88.6Confident93.2Very high23 Ų2372.5 Ų72.514%0.14135%0.35CS..SBendtrans-119.7145.7-170.466.90000113.4T468 Q489 M490T468-T486 HydrophobicContact CG2-CG2 4.37Å; T486-Q489 WeakPolarHBondContact O-CB 3.41Å; T486-Q489 PolarHBondContact O-N 3.14Å; T486-Q489 VanDerWaalsContact OG1-CG 3.27Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-OE1 3.16Å; T486-M490 PolarHBondContact O-N 3.33Å
487H89.6Confident93.5Very high40 Ų4074 Ų7419%0.18535%0.353CS..Hα-helixtrans-59.3-39.4179.3175.3-64.7000113.4Q460 D464 L475 Q489 M490 K491Q460-H487 PolarHBondContact NE2-CD2 2.95Å; Q460-H487 PolarHBondContact NE2-CE1 3.43Å; Q460-H487 VanDerWaalsContact NE2-CE1 3.35Å; Q460-H487 PolarHBondContact NE2-ND1 3.37Å; Q460-H487 PolarHBondContact NE2-NE2 3Å; D464-H487 WeakPolarHBondContact OD1-CB 3.41Å; D464-H487 PolarHBondContact OD1-N 3.47Å; D464-H487 VanDerWaalsContact OD1-N 3.11Å; L475-H487 HydrophobicContact CD1-CB 4.48Å; H487-Q489 VanDerWaalsContact C-N 3.31Å; H487-Q489 PolarHBondContact O-N 3.47Å; H487-M490 PolarHBondContact O-N 3.31Å; H487-K491 PolarHBondContact O-N 2.86Å
488P90.9Very high93.6Very high74 Ų7474.9 Ų74.948%0.48136%0.357SS..Hα-helixtrans-59.6-37.1176.8-26.937.1000113.7K491 Y492P488-K491 PolarHBondContact O-N 3.33Å; P488-Y492 WeakPolarHBondContact O-CB 3.28Å; P488-Y492 PolarHBondContact O-N 3.4Å
489Q92.6Very high93.8Very high84 Ų8472 Ų7239%0.39336%0.359SS..Hα-helixtrans-63.8-44.1174.1-72.4164.4-22.500111C484 S485 T486 H487 Y492 H493C484-Q489 HydrophobicContact CB-CB 3.88Å; S485-Q489 PolarHBondContact OG-OE1 3.07Å; T486-Q489 WeakPolarHBondContact O-CB 3.41Å; T486-Q489 PolarHBondContact O-N 3.14Å; T486-Q489 VanDerWaalsContact OG1-CG 3.27Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-OE1 3.16Å; H487-Q489 VanDerWaalsContact C-N 3.31Å; H487-Q489 PolarHBondContact O-N 3.47Å; Q489-Y492 PolarHBondContact O-N 3.07Å; Q489-H493 WeakPolarHBondContact O-CB 3.36Å; Q489-H493 PolarHBondContact O-N 3.1Å
490M93.1Very high93.9Very high0 Ų077.8 Ų77.80%038%0.382CS..Hα-helixtrans-61.3-45.4175.9-170.857.178.500111.9L475 V476 C477 T486 H487 Y492 H493 Y494 F506L475-M490 VanDerWaalsContact C-CE 3.45Å; L475-M490 HydrophobicContact CB-CE 3.84Å; L475-M490 WeakPolarHBondContact O-CE 3.35Å; V476-M490 VanDerWaalsContact C-CE 3.41Å; C477-M490 HydrophobicContact CB-CE 4.21Å; C477-M490 HydrophobicContact CB-SD 4Å; T486-M490 PolarHBondContact O-N 3.33Å; H487-M490 PolarHBondContact O-N 3.31Å; M490-Y492 PolarHBondContact O-N 3.31Å; M490-H493 WeakPolarHBondContact O-CB 3.35Å; M490-H493 PolarHBondContact O-N 3.32Å; M490-Y494 HydrophobicContact CG-CD2 4.01Å; M490-Y494 HydrophobicContact CG-CE2 4.02Å; M490-Y494 WeakPolarHBondContact O-CD2 3.28Å; M490-Y494 PolarHBondContact O-N 3.38Å; M490-Y494 HydrophobicContact SD-CD2 3.81Å; M490-Y494 HydrophobicContact SD-CE2 3.6Å; M490-F506 HydrophobicContact CE-CE1 4.17Å; M490-F506 HydrophobicContact CE-CZ 3.92Å; M490-F506 HydrophobicContact CG-CD1 4.38Å; M490-F506 HydrophobicContact CG-CD2 4.04Å; M490-F506 HydrophobicContact CG-CE1 3.93Å; M490-F506 HydrophobicContact CG-CE2 3.55Å; M490-F506 HydrophobicContact CG-CG 4.44Å; M490-F506 HydrophobicContact CG-CZ 3.49Å; M490-F506 VanDerWaalsContact CG-CZ 3.49Å; M490-F506 HydrophobicContact SD-CE2 4.31Å; M490-F506 HydrophobicContact SD-CZ 3.94Å
491K93.2Very high93.9Very high126 Ų12678.6 Ų78.655%0.54839%0.385SS..Hα-helixtrans-61.1-42.7177.3-173.2175.9-179.7176.70112H487 P488 Q495H487-K491 PolarHBondContact O-N 2.86Å; P488-K491 PolarHBondContact O-N 3.33Å; K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 PolarHBondContact O-N 3.2Å
492Y95.4Very high93.5Very high142 Ų14279.4 Ų79.456%0.55738%0.38SS*.Hα-helixtrans-64.9-40.4175.3178.4-99.5000112.2P488 Q489 M490 Q495 K496P488-Y492 WeakPolarHBondContact O-CB 3.28Å; P488-Y492 PolarHBondContact O-N 3.4Å; Q489-Y492 PolarHBondContact O-N 3.07Å; M490-Y492 PolarHBondContact O-N 3.31Å; Y492-Q495 PolarHBondContact O-N 3.46Å; Y492-K496 HydrophobicContact CE1-CD 4.06Å; Y492-K496 WeakPolarHBondContact O-CB 3.47Å; Y492-K496 PolarHBondContact O-N 3.02Å
493H96Very high93.2Very high13 Ų1376.7 Ų76.76%0.0637%0.374CS..Hα-helixtrans-59.4-50.2175167.479.7000111.6C477 C480 Y482 Q489 M490 Q495 K496 M497 H498C477-H493 PolarHBondContact SG-NE2 2.98Å; C480-H493 PolarHBondContact SG-CE1 3Å; C480-H493 PolarHBondContact SG-NE2 3.19Å; Y482-H493 WeakPolarHBondContact CB-CE1 3.47Å; Y482-H493 HydrophobicContact CD1-CB 3.87Å; Y482-H493 AromaticContact CD1-CD2 3.69Å; Y482-H493 AromaticContact CD1-CE1 3.72Å; Y482-H493 AromaticContact CD1-CG 3.33Å; Y482-H493 AromaticContact CD1-ND1 3.35Å; Y482-H493 WeakPolarHBondContact CD1-ND1 3.47Å; Y482-H493 AromaticContact CD1-NE2 3.92Å; Y482-H493 HydrophobicContact CE1-CB 3.66Å; Y482-H493 AromaticContact CE1-CG 3.67Å; Y482-H493 AromaticContact CE1-ND1 3.86Å; Y482-H493 AromaticContact CG-CE1 3.54Å; Y482-H493 AromaticContact CG-CG 3.92Å; Y482-H493 AromaticContact CG-ND1 3.43Å; Q489-H493 WeakPolarHBondContact O-CB 3.36Å; Q489-H493 PolarHBondContact O-N 3.1Å; M490-H493 WeakPolarHBondContact O-CB 3.35Å; M490-H493 PolarHBondContact O-N 3.32Å; H493-Q495 PolarHBondContact O-N 2.95Å; H493-K496 PolarHBondContact O-N 2.88Å; H493-M497 WeakPolarHBondContact O-CB 3.4Å; H493-M497 PolarHBondContact O-N 3.16Å; H493-H498 AromaticContact CE1-NE2 3.94Å; H493-H498 AromaticContact NE2-CD2 3.52Å; H493-H498 AromaticContact NE2-NE2 3.31Å; H493-H498 PolarHBondContact NE2-NE2 2.85Å
494Y95.7Very high92.6Very high8 Ų880.1 Ų80.13%0.03139%0.39CS..Hα-helixtrans-58.2-47.6174.6-90.4-98.6000111.6C477 R478 M490 K496 H498 V501 C503 F506C477-Y494 HydrophobicContact CB-CE2 4.41Å; C477-Y494 VanDerWaalsContact SG-CE2 3.53Å; R478-Y494 PolarHBondContact N-OH 3.45Å; M490-Y494 HydrophobicContact CG-CD2 4.01Å; M490-Y494 HydrophobicContact CG-CE2 4.02Å; M490-Y494 WeakPolarHBondContact O-CD2 3.28Å; M490-Y494 PolarHBondContact O-N 3.38Å; M490-Y494 HydrophobicContact SD-CD2 3.81Å; M490-Y494 HydrophobicContact SD-CE2 3.6Å; Y494-K496 PolarHBondContact O-N 2.82Å; Y494-K496 VanDerWaalsContact O-N 3.16Å; Y494-H498 HydrophobicContact CD1-CB 4.1Å; Y494-H498 CarbonylContact O-C 3.01Å; Y494-H498 VanDerWaalsContact O-CA 3.28Å; Y494-H498 WeakPolarHBondContact O-CA 3.37Å; Y494-H498 PolarHBondContact O-N 3.35Å; Y494-V501 HydrophobicContact CE1-CG1 4.17Å; Y494-C503 HydrophobicContact CD1-CB 4.01Å; Y494-C503 HydrophobicContact CD2-CB 4.22Å; Y494-C503 VanDerWaalsContact CD2-SG 3.52Å; Y494-C503 HydrophobicContact CG-CB 3.76Å; Y494-F506 AromaticContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CZ 4.31Å
495Q95.5Very high91.4Very high145 Ų14580.5 Ų80.568%0.67839%0.394SS*.Hα-helixtrans-59.1-30.4179.3-172.8176.48.500113.4K491 Y492 H493K491-Q495 WeakPolarHBondContact O-CB 3.46Å; K491-Q495 PolarHBondContact O-N 3.2Å; Y492-Q495 PolarHBondContact O-N 3.46Å; H493-Q495 PolarHBondContact O-N 2.95Å
496K97.4Very high90.6Very high138 Ų13879.9 Ų79.960%0.639%0.387SS*.Hα-helixtrans-94.3-40.7-176.9-172.4179-179.8-1790114Y492 H493 Y494Y492-K496 HydrophobicContact CE1-CD 4.06Å; Y492-K496 WeakPolarHBondContact O-CB 3.47Å; Y492-K496 PolarHBondContact O-N 3.02Å; H493-K496 PolarHBondContact O-N 2.88Å; Y494-K496 PolarHBondContact O-N 2.82Å; Y494-K496 VanDerWaalsContact O-N 3.16Å
497M97.3Very high89.9Confident115 Ų11583.8 Ų83.857%0.56741%0.407SS*.Hα-helixtrans-102.8-22.5-171.4-56.2-59.9-67.800112.8H493 P499H493-M497 WeakPolarHBondContact O-CB 3.4Å; H493-M497 PolarHBondContact O-N 3.16Å; M497-P499 VanDerWaalsContact C-CD 3.49Å
498H95.8Very high89Confident28 Ų2884.2 Ų84.213%0.1341%0.411CS..  trans-135.153.5-176.2-53.4-49.1000111.4T479 C480 H493 Y494 E500 V501T479-H498 WeakPolarHBondContact CG2-ND1 3.41Å; C480-H498 PolarHBondContact SG-NE2 3Å; H493-H498 AromaticContact CE1-NE2 3.94Å; H493-H498 AromaticContact NE2-CD2 3.52Å; H493-H498 AromaticContact NE2-NE2 3.31Å; H493-H498 PolarHBondContact NE2-NE2 2.85Å; Y494-H498 HydrophobicContact CD1-CB 4.1Å; Y494-H498 CarbonylContact O-C 3.01Å; Y494-H498 VanDerWaalsContact O-CA 3.28Å; Y494-H498 WeakPolarHBondContact O-CA 3.37Å; Y494-H498 PolarHBondContact O-N 3.35Å; H498-E500 PolarHBondContact O-N 3.02Å; H498-E500 VanDerWaalsContact O-N 3.1Å; H498-V501 HydrophobicContact CB-CB 4.19Å; H498-V501 HydrophobicContact CB-CG2 4.49Å; H498-V501 PolarHBondContact O-N 3.33Å; H498-V501 VanDerWaalsContact O-O 3.09Å
499P95.4Very high87.9Confident105 Ų10586.8 Ų86.868%0.68242%0.416SS*.THydrogen-bonded Turntrans-60.4-24.6-174.826.5-35.8000113.5M497M497-P499 VanDerWaalsContact C-CD 3.49Å
500E96.1Very high87Confident192 Ų19288.1 Ų88.190%0.89742%0.421SS*.THydrogen-bonded Turntrans-77.7-21.4176.3-61.8175-176.200113.4H498H498-E500 PolarHBondContact O-N 3.02Å; H498-E500 VanDerWaalsContact O-N 3.1Å
501V94.5Very high86Confident66 Ų6688.5 Ų88.540%0.442%0.423SS..SBendtrans-107.7116.9-173.9-1740000109.7Y494 H498 C503Y494-V501 HydrophobicContact CE1-CG1 4.17Å; H498-V501 HydrophobicContact CB-CB 4.19Å; H498-V501 HydrophobicContact CB-CG2 4.49Å; H498-V501 PolarHBondContact O-N 3.33Å; H498-V501 VanDerWaalsContact O-O 3.09Å; V501-C503 PolarHBondContact O-N 3.45Å
502R88.4Confident84.7Confident206 Ų20683.6 Ų83.678%0.77740%0.402SS*.  trans-60.4138.7173.1-61.6-173.9112.6-177.44.7110.1D504R502-D504 PolarHBondContact O-N 2.9Å
503C87.4Confident83.3Confident37 Ų3780.4 Ų80.425%0.2539%0.394CS..  trans-74.563.1178.5-169.40000111.2Y494 V501 F506Y494-C503 HydrophobicContact CD1-CB 4.01Å; Y494-C503 HydrophobicContact CD2-CB 4.22Å; Y494-C503 VanDerWaalsContact CD2-SG 3.52Å; Y494-C503 HydrophobicContact CG-CB 3.76Å; V501-C503 PolarHBondContact O-N 3.45Å; C503-F506 VanDerWaalsContact SG-CD2 3.59Å
504D80.8Confident81.9Confident106 Ų10682.6 Ų82.657%0.56741%0.406SS*.THydrogen-bonded Turntrans-91.4126.7-172.2-78.3-24.6000112.9R478 R502R478-D504 PolarHBondContact NH1-O 2.98Å; R502-D504 PolarHBondContact O-N 2.9Å
505G67.5Low80Confident11 Ų1190.5 Ų90.511%0.11344%0.443CS..THydrogen-bonded Turntrans112.42.4168.200000116.4N507 K510G505-N507 PolarHBondContact O-N 3.32Å; G505-N507 VanDerWaalsContact O-N 3.11Å; G505-K510 WeakPolarHBondContact O-CD 3.47Å
506F70.8Confident78.2Confident18 Ų1886.7 Ų86.78%0.07942%0.424CS..  trans-80.532.8167-62.9-81.9000112.8L475 M490 Y494 C503 I508L475-F506 HydrophobicContact CB-CE1 4.49Å; L475-F506 HydrophobicContact CD2-CD1 4.34Å; L475-F506 HydrophobicContact CD2-CE1 4.47Å; M490-F506 HydrophobicContact CE-CE1 4.17Å; M490-F506 HydrophobicContact CE-CZ 3.92Å; M490-F506 HydrophobicContact CG-CD1 4.38Å; M490-F506 HydrophobicContact CG-CD2 4.04Å; M490-F506 HydrophobicContact CG-CE1 3.93Å; M490-F506 HydrophobicContact CG-CE2 3.55Å; M490-F506 HydrophobicContact CG-CG 4.44Å; M490-F506 HydrophobicContact CG-CZ 3.49Å; M490-F506 VanDerWaalsContact CG-CZ 3.49Å; M490-F506 HydrophobicContact SD-CE2 4.31Å; M490-F506 HydrophobicContact SD-CZ 3.94Å; Y494-F506 AromaticContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CE2 3.78Å; Y494-F506 HydrophobicContact CE2-CZ 4.31Å; C503-F506 VanDerWaalsContact SG-CD2 3.59Å; F506-I508 PolarHBondContact O-N 3.16Å
507N74.1Confident75.9Confident105 Ų10588.4 Ų88.456%0.56144%0.44SS*.  trans-56.7136.5172.4-75-2.6000109.3G505 Q509 K510 V511G505-N507 PolarHBondContact O-N 3.32Å; G505-N507 VanDerWaalsContact O-N 3.11Å; N507-Q509 PolarHBondContact O-N 3.27Å; N507-K510 HydrophobicContact CB-CD 4.47Å; N507-K510 HydrophobicContact CB-CG 4.43Å; N507-K510 WeakPolarHBondContact O-CA 3.48Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.14Å; N507-V511 PolarHBondContact O-N 3.15Å
508I71.1Confident73.9Confident50 Ų5092 Ų9226%0.25646%0.456SS..Hα-helixtrans-46.5-42-178.3-55.4170.1000111.9Q460 L463 F506 V511 F512Q460-I508 HydrophobicContact CB-CD1 3.75Å; Q460-I508 HydrophobicContact CB-CG1 4.08Å; Q460-I508 HydrophobicContact CG-CG1 4.42Å; L463-I508 HydrophobicContact CD2-CG2 3.93Å; F506-I508 PolarHBondContact O-N 3.16Å; I508-V511 PolarHBondContact O-N 3.45Å; I508-F512 HydrophobicContact CG2-CD2 3.7Å; I508-F512 HydrophobicContact CG2-CE2 3.49Å; I508-F512 VanDerWaalsContact CG2-CE2 3.49Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.23Å
509Q69Low72.4Confident128 Ų12892.9 Ų92.960%0.59846%0.463SS*.Hα-helixtrans-66.4-35.5176.6-66.9-178.17.200114N507 N513N507-Q509 PolarHBondContact O-N 3.27Å; Q509-N513 WeakPolarHBondContact O-CB 3.37Å; Q509-N513 PolarHBondContact O-N 3.08Å; Q509-N513 PolarHBondContact O-ND2 3.15Å; Q509-N513 PolarHBondContact O-OD1 3.4Å
510K73.8Confident71.5Confident112 Ų11289.6 Ų89.649%0.48745%0.445SS..Hα-helixtrans-69-40.9174.8-73178.9174176.10110.1G505 N507 N513 I514G505-K510 WeakPolarHBondContact O-CD 3.47Å; N507-K510 HydrophobicContact CB-CD 4.47Å; N507-K510 HydrophobicContact CB-CG 4.43Å; N507-K510 WeakPolarHBondContact O-CA 3.48Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.14Å; K510-N513 CarbonylContact O-C 3.46Å; K510-N513 PolarHBondContact O-N 3.17Å; K510-N513 VanDerWaalsContact O-N 3.1Å; K510-I514 WeakPolarHBondContact O-CG1 3.48Å; K510-I514 PolarHBondContact O-N 3.18Å
511V71.3Confident70.9Confident8 Ų880.5 Ų80.55%0.04840%0.402CS..Hα-helixtrans-64.1-43.7176.5-176.30000111.9L463 L475 N507 I508 N513 I514 I521L463-V511 HydrophobicContact CD1-CG1 4.46Å; L463-V511 HydrophobicContact CD2-CB 3.97Å; L463-V511 HydrophobicContact CD2-CG1 3.83Å; L463-V511 HydrophobicContact CG-CG1 4.48Å; L475-V511 HydrophobicContact CD2-CG1 4.07Å; L475-V511 HydrophobicContact CD2-CG2 4.41Å; N507-V511 PolarHBondContact O-N 3.15Å; I508-V511 PolarHBondContact O-N 3.45Å; V511-N513 PolarHBondContact O-N 2.94Å; V511-I514 HydrophobicContact CG1-CD1 4.49Å; V511-I514 PolarHBondContact O-N 2.57Å; V511-I514 VanDerWaalsContact O-N 3.14Å; V511-I521 HydrophobicContact CG1-CD1 4.25Å
512F65.9Low70.5Confident23 Ų2380.3 Ų80.310%0.10140%0.396CS..Hα-helixtrans-64.1-19172.5-82.6-61000114.4L463 I508 I521 F525 I539L463-F512 HydrophobicContact CB-CE2 4.47Å; L463-F512 HydrophobicContact CB-CZ 4.13Å; L463-F512 HydrophobicContact CD1-CD1 4.29Å; L463-F512 HydrophobicContact CD1-CE1 3.79Å; L463-F512 HydrophobicContact CD1-CE2 4.46Å; L463-F512 HydrophobicContact CD1-CZ 3.87Å; L463-F512 HydrophobicContact CD2-CD2 4.32Å; L463-F512 HydrophobicContact CD2-CE2 4.05Å; L463-F512 HydrophobicContact CD2-CZ 4.25Å; L463-F512 HydrophobicContact CG-CZ 4.31Å; I508-F512 HydrophobicContact CG2-CD2 3.7Å; I508-F512 HydrophobicContact CG2-CE2 3.49Å; I508-F512 VanDerWaalsContact CG2-CE2 3.49Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.23Å; F512-I521 HydrophobicContact CD1-CG2 4.07Å; F512-I521 HydrophobicContact CE1-CG2 4.32Å; F512-F525 HydrophobicContact CE1-CB 3.89Å; F512-F525 AromaticContact CE1-CD2 3.77Å; F512-F525 HydrophobicContact CE1-CD2 3.77Å; F512-F525 AromaticContact CE1-CG 3.89Å; F512-F525 HydrophobicContact CE1-CG 3.89Å; F512-F525 AromaticContact CZ-CD2 3.61Å; F512-F525 HydrophobicContact CZ-CD2 3.61Å; F512-F525 AromaticContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CG 4.08Å; F512-I539 HydrophobicContact CD1-CG2 4.47Å; F512-I539 HydrophobicContact CD2-CG2 4.05Å; F512-I539 HydrophobicContact CE1-CD1 3.78Å; F512-I539 HydrophobicContact CE2-CD1 4Å; F512-I539 HydrophobicContact CE2-CG1 4.3Å; F512-I539 HydrophobicContact CE2-CG2 4.11Å; F512-I539 HydrophobicContact CG-CG2 4.26Å; F512-I539 HydrophobicContact CZ-CD1 3.39Å; F512-I539 HydrophobicContact CZ-CG1 4.17Å; F512-I539 HydrophobicContact CZ-CG2 4.37Å
513N65.3Low70.6Confident75 Ų7574.2 Ų74.240%0.40138%0.379SS..THydrogen-bonded Turntrans-100.68.6177.3-63.9-6.5000112.5Q509 K510 V511 E515 P542Q509-N513 WeakPolarHBondContact O-CB 3.37Å; Q509-N513 PolarHBondContact O-N 3.08Å; Q509-N513 PolarHBondContact O-ND2 3.15Å; Q509-N513 PolarHBondContact O-OD1 3.4Å; K510-N513 CarbonylContact O-C 3.46Å; K510-N513 PolarHBondContact O-N 3.17Å; K510-N513 VanDerWaalsContact O-N 3.1Å; V511-N513 PolarHBondContact O-N 2.94Å; N513-E515 VanDerWaalsContact C-N 3.35Å; N513-E515 PolarHBondContact O-N 3.42Å; N513-E515 VanDerWaalsContact O-N 3.11Å; N513-P542 WeakPolarHBondContact ND2-CB 3.45Å; N513-P542 VanDerWaalsContact OD1-CG 3.29Å; N513-P542 WeakPolarHBondContact OD1-CG 3.35Å
514I66.2Low70.7Confident58 Ų5872.8 Ų72.830%0.29737%0.369SS..  trans-77.498.6166.4-49.2173.1000105.7L475 K510 V511 F516L475-I514 HydrophobicContact CD2-CD1 4.27Å; K510-I514 WeakPolarHBondContact O-CG1 3.48Å; K510-I514 PolarHBondContact O-N 3.18Å; V511-I514 HydrophobicContact CG1-CD1 4.49Å; V511-I514 PolarHBondContact O-N 2.57Å; V511-I514 VanDerWaalsContact O-N 3.14Å; I514-F516 HydrophobicContact CB-CD2 4.27Å; I514-F516 HydrophobicContact CB-CE2 3.61Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CG2-CD2 3.86Å; I514-F516 HydrophobicContact CG2-CE1 4.19Å; I514-F516 HydrophobicContact CG2-CE2 3.22Å; I514-F516 HydrophobicContact CG2-CZ 3.4Å; I514-F516 WeakPolarHBondContact O-CD2 3.41Å; I514-F516 PolarHBondContact O-N 3.27Å
515E55.9Low71.3Confident175 Ų17568.3 Ų68.382%0.81834%0.344SS*.BIsolated β-bridgetrans-70.5107.3166.4-68.1172.7-179.500106.4N513N513-E515 VanDerWaalsContact C-N 3.35Å; N513-E515 PolarHBondContact O-N 3.42Å; N513-E515 VanDerWaalsContact O-N 3.11Å
516F57.5Low72.5Confident64 Ų6473 Ų7328%0.28136%0.363SS..  trans-85.7146.8163.5-69.5-88.8000108C474 I514 E518 V519 I521C474-F516 HydrophobicContact CB-CE1 4.01Å; C474-F516 HydrophobicContact CB-CE2 3.85Å; C474-F516 HydrophobicContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact CB-CZ 3.43Å; C474-F516 VanDerWaalsContact O-CZ 3.23Å; C474-F516 WeakPolarHBondContact O-CZ 3.45Å; I514-F516 HydrophobicContact CB-CD2 4.27Å; I514-F516 HydrophobicContact CB-CE2 3.61Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CG2-CD2 3.86Å; I514-F516 HydrophobicContact CG2-CE1 4.19Å; I514-F516 HydrophobicContact CG2-CE2 3.22Å; I514-F516 HydrophobicContact CG2-CZ 3.4Å; I514-F516 WeakPolarHBondContact O-CD2 3.41Å; I514-F516 PolarHBondContact O-N 3.27Å; F516-E518 PolarHBondContact O-N 3.11Å; F516-V519 PolarHBondContact O-N 3.39Å; F516-I521 HydrophobicContact CD2-CD1 3.97Å; F516-I521 HydrophobicContact CD2-CG1 4.15Å; F516-I521 HydrophobicContact CE2-CD1 3.52Å; F516-I521 HydrophobicContact CE2-CG1 4.19Å
517D50.2Low73.7Confident175 Ų17578.1 Ų78.194%0.93639%0.385SS*.SBendtrans-60.4-18.9-161.7-68.2-56.1000115.1
518E54.8Low74.7Confident191 Ų19173.1 Ų73.189%0.89336%0.359SS*.SBendtrans-128.5-18.2-179.6-59-167.6168.700115.7F516F516-E518 PolarHBondContact O-N 3.11Å
519V63.7Low75.9Confident46 Ų4670.8 Ų70.828%0.27935%0.347SS..  trans-140.1117.3-179.4-174.60000111.3F516 I521 L524F516-V519 PolarHBondContact O-N 3.39Å; V519-I521 PolarHBondContact O-N 3.32Å; V519-L524 HydrophobicContact CG1-CD1 4.06Å; V519-L524 HydrophobicContact CG1-CD2 4.05Å; V519-L524 HydrophobicContact CG1-CG 3.72Å
520A77.9Confident77Confident36 Ų3666 Ų6630%0.29833%0.331SS..BIsolated β-bridgetrans-70.2129.7168.900000109.9F522 D523 L524A520-F522 HydrophobicContact CB-CB 4.35Å; A520-F522 PolarHBondContact O-N 3.48Å; A520-D523 WeakPolarHBondContact O-CB 3.27Å; A520-D523 PolarHBondContact O-N 3.22Å; A520-L524 PolarHBondContact O-N 3.16Å
521I83.4Confident78Confident1 Ų164 Ų641%0.00534%0.335CS..Hα-helixtrans-52.6-29.2171.8-72.8171.1000111.7L463 M467 V511 F512 F516 V519 D523 L524 F525L463-I521 HydrophobicContact CD1-CG2 3.53Å; M467-I521 HydrophobicContact CE-CD1 3.75Å; M467-I521 HydrophobicContact CE-CG1 4.4Å; M467-I521 HydrophobicContact SD-CD1 3.64Å; M467-I521 HydrophobicContact SD-CG1 3.92Å; M467-I521 HydrophobicContact SD-CG2 3.84Å; V511-I521 HydrophobicContact CG1-CD1 4.25Å; F512-I521 HydrophobicContact CD1-CG2 4.07Å; F512-I521 HydrophobicContact CE1-CG2 4.32Å; F516-I521 HydrophobicContact CD2-CD1 3.97Å; F516-I521 HydrophobicContact CD2-CG1 4.15Å; F516-I521 HydrophobicContact CE2-CD1 3.52Å; F516-I521 HydrophobicContact CE2-CG1 4.19Å; V519-I521 PolarHBondContact O-N 3.32Å; I521-D523 VanDerWaalsContact C-N 3.33Å; I521-D523 PolarHBondContact O-N 3.48Å; I521-L524 PolarHBondContact O-N 3.15Å; I521-F525 WeakPolarHBondContact O-CB 3.45Å; I521-F525 PolarHBondContact O-N 3.19Å
522F86.5Confident79Confident61 Ų6165.3 Ų65.327%0.26834%0.341SS..Hα-helixtrans-57.4-41.4172.1-176.7-93.7000113.1A520 F525 Q526 I539A520-F522 HydrophobicContact CB-CB 4.35Å; A520-F522 PolarHBondContact O-N 3.48Å; F522-F525 PolarHBondContact O-N 3.5Å; F522-Q526 WeakPolarHBondContact O-CB 3.48Å; F522-Q526 PolarHBondContact O-N 3.16Å; F522-I539 HydrophobicContact CD2-CG2 4.35Å; F522-I539 HydrophobicContact CE2-CB 4.24Å; F522-I539 HydrophobicContact CE2-CG2 4.26Å
523D89.4Confident80.2Confident78 Ų7866.5 Ų66.542%0.41735%0.353SS..Hα-helixtrans-73.1-38.2-179.3-62.6-29.7000111.3A520 I521 Q526 K527A520-D523 WeakPolarHBondContact O-CB 3.27Å; A520-D523 PolarHBondContact O-N 3.22Å; I521-D523 VanDerWaalsContact C-N 3.33Å; I521-D523 PolarHBondContact O-N 3.48Å; D523-Q526 PolarHBondContact O-N 3.36Å; D523-K527 WeakPolarHBondContact O-CB 3.26Å; D523-K527 VanDerWaalsContact O-CG 3.3Å; D523-K527 WeakPolarHBondContact O-CG 3.38Å; D523-K527 PolarHBondContact O-N 3.34Å
524L90.6Very high81.4Confident7 Ų768.6 Ų68.64%0.03737%0.373CS..Hα-helixtrans-59.3-46.9169.6-66.6170.9000111.1F444 E470 V519 A520 I521 Q526 K527 C528F444-L524 HydrophobicContact CE2-CD2 3.99Å; E470-L524 HydrophobicContact CB-CD1 4.08Å; E470-L524 HydrophobicContact CG-CD1 4.18Å; E470-L524 WeakPolarHBondContact OE2-CD1 3.39Å; E470-L524 WeakPolarHBondContact OE2-CD2 3.38Å; V519-L524 HydrophobicContact CG1-CD1 4.06Å; V519-L524 HydrophobicContact CG1-CD2 4.05Å; V519-L524 HydrophobicContact CG1-CG 3.72Å; A520-L524 PolarHBondContact O-N 3.16Å; I521-L524 PolarHBondContact O-N 3.15Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.27Å; L524-K527 PolarHBondContact O-N 3.48Å; L524-C528 WeakPolarHBondContact O-CB 3.32Å; L524-C528 PolarHBondContact O-N 3.1Å; L524-C528 PolarHBondContact O-SG 3.4Å
525F93.1Very high82.6Confident12 Ų1269.4 Ų69.45%0.05338%0.377CS..Hα-helixtrans-61.1-40.7175.7-168.9-74.8000111.7L462 A466 F512 I521 F522 C528 F529 I536 I539L462-F525 HydrophobicContact CB-CE2 3.57Å; L462-F525 HydrophobicContact CB-CZ 3.81Å; L462-F525 HydrophobicContact CD1-CZ 4.22Å; A466-F525 HydrophobicContact CB-CB 4.38Å; A466-F525 HydrophobicContact CB-CD2 4.14Å; F512-F525 HydrophobicContact CE1-CB 3.89Å; F512-F525 AromaticContact CE1-CD2 3.77Å; F512-F525 HydrophobicContact CE1-CD2 3.77Å; F512-F525 AromaticContact CE1-CG 3.89Å; F512-F525 HydrophobicContact CE1-CG 3.89Å; F512-F525 AromaticContact CZ-CD2 3.61Å; F512-F525 HydrophobicContact CZ-CD2 3.61Å; F512-F525 AromaticContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CE2 3.98Å; F512-F525 HydrophobicContact CZ-CG 4.08Å; I521-F525 WeakPolarHBondContact O-CB 3.45Å; I521-F525 PolarHBondContact O-N 3.19Å; F522-F525 PolarHBondContact O-N 3.5Å; F525-C528 PolarHBondContact O-N 3.29Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 HydrophobicContact CD1-CD2 4.1Å; F525-F529 AromaticContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CE2 4.33Å; F525-F529 HydrophobicContact CE1-CB 3.76Å; F525-F529 AromaticContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CG 4.21Å; F525-F529 AromaticContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CE2 4.05Å; F525-F529 HydrophobicContact CG-CD2 4.14Å; F525-F529 HydrophobicContact CZ-CB 4.19Å; F525-F529 AromaticContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CE2 4.32Å; F525-F529 HydrophobicContact CZ-CG 4.2Å; F525-F529 PolarHBondContact O-N 3.27Å; F525-I536 HydrophobicContact CE1-CD1 4.47Å; F525-I536 HydrophobicContact CZ-CD1 4.46Å; F525-I536 HydrophobicContact CZ-CG2 4.38Å; F525-I539 HydrophobicContact CD1-CD1 3.24Å; F525-I539 HydrophobicContact CD2-CD1 4Å; F525-I539 HydrophobicContact CE1-CD1 3.23Å; F525-I539 HydrophobicContact CE1-CG1 4.39Å; F525-I539 HydrophobicContact CE2-CD1 3.95Å; F525-I539 HydrophobicContact CG-CD1 3.67Å; F525-I539 HydrophobicContact CZ-CD1 3.6Å
526Q93Very high84.3Confident111 Ų11161.5 Ų61.552%0.51934%0.34SS..Hα-helixtrans-69.4-35.6178.9-172165.5-11.300112.2F522 D523 L524 G530F522-Q526 WeakPolarHBondContact O-CB 3.48Å; F522-Q526 PolarHBondContact O-N 3.16Å; D523-Q526 PolarHBondContact O-N 3.36Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.27Å; Q526-G530 WeakPolarHBondContact O-CA 3.5Å; Q526-G530 PolarHBondContact O-N 2.9Å
527K94.4Very high85.7Confident125 Ų12560.1 Ų60.154%0.54334%0.344SS..Hα-helixtrans-62.3-45.7168.6-71.8170.3-178.1179.10111.3F444 D523 L524F444-K527 HydrophobicContact CD2-CB 4.02Å; F444-K527 HydrophobicContact CE2-CB 4.4Å; F444-K527 HydrophobicContact CE2-CD 4.23Å; D523-K527 WeakPolarHBondContact O-CB 3.26Å; D523-K527 VanDerWaalsContact O-CG 3.3Å; D523-K527 WeakPolarHBondContact O-CG 3.38Å; D523-K527 PolarHBondContact O-N 3.34Å; L524-K527 PolarHBondContact O-N 3.48Å
528C95.5Very high87.2Confident0 Ų058.5 Ų58.50%034%0.335CS..Hα-helixtrans-66.3-44.4-179.8-66.10000113.4N443 H469 L524 F525N443-C528 PolarHBondContact N-O 3.35Å; H469-C528 PolarHBondContact CD2-SG 2.81Å; L524-C528 WeakPolarHBondContact O-CB 3.32Å; L524-C528 PolarHBondContact O-N 3.1Å; L524-C528 PolarHBondContact O-SG 3.4Å; F525-C528 PolarHBondContact O-N 3.29Å
529F95.6Very high88.2Confident1 Ų150.9 Ų50.90%0.00430%0.3CS..Hα-helixtrans-1349-163.1-56.1-64.1000115I440 L451 L462 H465 A466 F525 A531 H532 S533 I536I440-F529 HydrophobicContact CG2-CD1 3.41Å; I440-F529 VanDerWaalsContact CG2-CD1 3.41Å; I440-F529 HydrophobicContact CG2-CE1 3.66Å; I440-F529 HydrophobicContact CG2-CG 4.47Å; L451-F529 HydrophobicContact CD1-CE1 3.91Å; L451-F529 HydrophobicContact CD1-CZ 3.7Å; L462-F529 HydrophobicContact CB-CD2 4.29Å; L462-F529 HydrophobicContact CB-CE2 3.87Å; L462-F529 HydrophobicContact CB-CZ 4.14Å; L462-F529 HydrophobicContact CD2-CE1 4.07Å; L462-F529 HydrophobicContact CD2-CZ 3.98Å; L462-F529 WeakPolarHBondContact O-CE2 3.35Å; H465-F529 HydrophobicContact CB-CZ 4.29Å; H465-F529 AromaticContact CD2-CZ 3.52Å; A466-F529 HydrophobicContact CB-CE2 4.34Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 HydrophobicContact CD1-CD2 4.1Å; F525-F529 AromaticContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CD2 3.94Å; F525-F529 HydrophobicContact CD2-CE2 4.33Å; F525-F529 HydrophobicContact CE1-CB 3.76Å; F525-F529 AromaticContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CD2 3.8Å; F525-F529 HydrophobicContact CE1-CG 4.21Å; F525-F529 AromaticContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CD2 3.67Å; F525-F529 HydrophobicContact CE2-CE2 4.05Å; F525-F529 HydrophobicContact CG-CD2 4.14Å; F525-F529 HydrophobicContact CZ-CB 4.19Å; F525-F529 AromaticContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CD2 3.58Å; F525-F529 HydrophobicContact CZ-CE2 4.32Å; F525-F529 HydrophobicContact CZ-CG 4.2Å; F525-F529 PolarHBondContact O-N 3.27Å; F529-A531 PolarHBondContact O-N 3.18Å; F529-H532 CarbonylContact O-C 3.43Å; F529-H532 WeakPolarHBondContact O-CA 3.36Å; F529-H532 PolarHBondContact O-N 3.04Å; F529-S533 PolarHBondContact O-N 2.85Å; F529-I536 HydrophobicContact CB-CD1 3.72Å; F529-I536 HydrophobicContact CG-CD1 4.32Å
530G93.4Very high87.9Confident26 Ų2651.3 Ų51.327%0.26831%0.314SS..G310 helixtrans-54.9-37.4-17900000113.4Q526 H532 S533Q526-G530 WeakPolarHBondContact O-CA 3.5Å; Q526-G530 PolarHBondContact O-N 2.9Å; G530-H532 PolarHBondContact O-N 3.27Å; G530-S533 VanDerWaalsContact O-CB 3.22Å; G530-S533 WeakPolarHBondContact O-CB 3.4Å; G530-S533 PolarHBondContact O-N 3.38Å; G530-S533 PolarHBondContact O-OG 3.3Å
531A94.3Very high86.9Confident70 Ų7057.8 Ų57.858%0.57934%0.336SS*.G310 helixtrans-62.8-24.8174.300000113.9F529F529-A531 PolarHBondContact O-N 3.18Å
532H93.2Very high85.1Confident36 Ų3660.6 Ų60.617%0.16735%0.354CS..G310 helixtrans-101.68.3179.4-67.8-64.3000113.3I440 K441 F529 G530 S534 I535 I536I440-H532 HydrophobicContact CG2-CB 4.17Å; K441-H532 PolarHBondContact N-NE2 3.38Å; K441-H532 PolarHBondContact O-CD2 3.5Å; K441-H532 VanDerWaalsContact O-CD2 3.25Å; K441-H532 PolarHBondContact O-NE2 2.99Å; F529-H532 CarbonylContact O-C 3.43Å; F529-H532 WeakPolarHBondContact O-CA 3.36Å; F529-H532 PolarHBondContact O-N 3.04Å; G530-H532 PolarHBondContact O-N 3.27Å; H532-S534 VanDerWaalsContact C-N 3.26Å; H532-S534 PolarHBondContact O-N 3Å; H532-I535 PolarHBondContact O-N 3.36Å; H532-I536 HydrophobicContact CB-CD1 3.78Å; H532-I536 HydrophobicContact CB-CG1 4.39Å; H532-I536 WeakPolarHBondContact O-CG1 3.4Å; H532-I536 PolarHBondContact O-N 3.22Å
533S90.1Very high83Confident49 Ų4968.9 Ų68.934%0.34338%0.384SS..Hα-helixtrans-53.3-36.8-179.353.60000114F529 G530 I535 G537F529-S533 PolarHBondContact O-N 2.85Å; G530-S533 VanDerWaalsContact O-CB 3.22Å; G530-S533 WeakPolarHBondContact O-CB 3.4Å; G530-S533 PolarHBondContact O-N 3.38Å; G530-S533 PolarHBondContact O-OG 3.3Å; S533-I535 VanDerWaalsContact C-N 3.26Å; S533-I535 PolarHBondContact O-N 3Å; S533-G537 CarbonylContact O-C 3.57Å; S533-G537 WeakPolarHBondContact O-CA 3.27Å; S533-G537 PolarHBondContact O-N 3.46Å
534S91.1Very high80.8Confident119 Ų11976.9 Ų76.983%0.83241%0.408SS*.Hα-helixtrans-62.3-27.7175.8-52.30000114.2H532H532-S534 VanDerWaalsContact C-N 3.26Å; H532-S534 PolarHBondContact O-N 3Å
535I91.7Very high78.4Confident74 Ų7485.9 Ų85.938%0.37944%0.443SS..Hα-helixtrans-92.8-44.5-179-60174000110.6H438 H532 S533 G537H438-I535 HydrophobicContact CB-CG2 4.05Å; H438-I535 WeakPolarHBondContact ND1-CG2 3.27Å; H532-I535 PolarHBondContact O-N 3.36Å; S533-I535 VanDerWaalsContact C-N 3.26Å; S533-I535 PolarHBondContact O-N 3Å; I535-G537 PolarHBondContact O-N 3.34Å
536I90.5Very high75.6Confident10 Ų1094.5 Ų94.55%0.05148%0.48CS..Hα-helixtrans-69.5-23.1178.9-59.4161.6000110.5I440 W453 K459 L462 F525 F529 H532I440-I536 HydrophobicContact CD1-CD1 4.05Å; I440-I536 HydrophobicContact CD1-CG1 3.7Å; W453-I536 HydrophobicContact CZ3-CG1 4.5Å; K459-I536 HydrophobicContact CD-CG2 3.94Å; K459-I536 WeakPolarHBondContact CE-O 3.01Å; K459-I536 HydrophobicContact CG-CG2 4.33Å; K459-I536 PolarHBondContact NZ-O 3.2Å; L462-I536 HydrophobicContact CD1-CD1 3.82Å; L462-I536 HydrophobicContact CD1-CG1 3.79Å; L462-I536 HydrophobicContact CD1-CG2 3.98Å; F525-I536 HydrophobicContact CE1-CD1 4.47Å; F525-I536 HydrophobicContact CZ-CD1 4.46Å; F525-I536 HydrophobicContact CZ-CG2 4.38Å; F529-I536 HydrophobicContact CB-CD1 3.72Å; F529-I536 HydrophobicContact CG-CD1 4.32Å; H532-I536 HydrophobicContact CB-CD1 3.78Å; H532-I536 HydrophobicContact CB-CG1 4.39Å; H532-I536 WeakPolarHBondContact O-CG1 3.4Å; H532-I536 PolarHBondContact O-N 3.22Å
537G87.4Confident72.9Confident34 Ų3498.3 Ų98.335%0.35150%0.495SS..  trans69.2155.5-165.400000111K459 S533 I535 I539K459-G537 PolarHBondContact NZ-O 3.33Å; S533-G537 CarbonylContact O-C 3.57Å; S533-G537 WeakPolarHBondContact O-CA 3.27Å; S533-G537 PolarHBondContact O-N 3.46Å; I535-G537 PolarHBondContact O-N 3.34Å; G537-I539 PolarHBondContact O-N 2.93Å
538N81Confident70Confident142 Ų14297.5 Ų97.576%0.75950%0.504SS*.  trans-50.3127.8176.1-68.9-13.9000110.5K459 G540K459-N538 PolarHBondContact NZ-O 3.11Å; N538-G540 PolarHBondContact O-N 2.9Å; N538-G540 VanDerWaalsContact O-N 3.12Å
539I75.8Confident67.3Low30 Ų30106.8 Ų106.815%0.15454%0.544CS..  trans-67.5108.5155.8-69157.7000103.6K459 F512 F522 F525 G537 K541K459-I539 HydrophobicContact CD-CG1 3.82Å; F512-I539 HydrophobicContact CD1-CG2 4.47Å; F512-I539 HydrophobicContact CD2-CG2 4.05Å; F512-I539 HydrophobicContact CE1-CD1 3.78Å; F512-I539 HydrophobicContact CE2-CD1 4Å; F512-I539 HydrophobicContact CE2-CG1 4.3Å; F512-I539 HydrophobicContact CE2-CG2 4.11Å; F512-I539 HydrophobicContact CG-CG2 4.26Å; F512-I539 HydrophobicContact CZ-CD1 3.39Å; F512-I539 HydrophobicContact CZ-CG1 4.17Å; F512-I539 HydrophobicContact CZ-CG2 4.37Å; F522-I539 HydrophobicContact CD2-CG2 4.35Å; F522-I539 HydrophobicContact CE2-CB 4.24Å; F522-I539 HydrophobicContact CE2-CG2 4.26Å; F525-I539 HydrophobicContact CD1-CD1 3.24Å; F525-I539 HydrophobicContact CD2-CD1 4Å; F525-I539 HydrophobicContact CE1-CD1 3.23Å; F525-I539 HydrophobicContact CE1-CG1 4.39Å; F525-I539 HydrophobicContact CE2-CD1 3.95Å; F525-I539 HydrophobicContact CG-CD1 3.67Å; F525-I539 HydrophobicContact CZ-CD1 3.6Å; G537-I539 PolarHBondContact O-N 2.93Å; I539-K541 PolarHBondContact O-N 3.47Å; I539-K541 VanDerWaalsContact O-N 3.14Å
540G58.3Low64.6Low56 Ų56113 Ų11358%0.57758%0.577SS**  trans-57.9124.917800000107.8N538N538-G540 PolarHBondContact O-N 2.9Å; N538-G540 VanDerWaalsContact O-N 3.12Å
541K55.8Low62.2Low172 Ų172116.1 Ų116.175%0.74860%0.595SS**  trans-41.8128.7153.7-64.7-172.5177.6-1700105.6I539 R543I539-K541 PolarHBondContact O-N 3.47Å; I539-K541 VanDerWaalsContact O-N 3.14Å; K541-R543 PolarHBondContact O-N 3.13Å
542P47Very low59.6Low59 Ų59121.7 Ų121.738%0.38361%0.614SS.*  trans-47.9122.4-17321.7-35.6000107.6N513 R544N513-P542 WeakPolarHBondContact ND2-CB 3.45Å; N513-P542 VanDerWaalsContact OD1-CG 3.29Å; N513-P542 WeakPolarHBondContact OD1-CG 3.35Å; P542-R544 PolarHBondContact O-N 3.16Å
543R42.5Very low57.3Low236 Ų236128.1 Ų128.189%0.89164%0.642SS**  trans-48111.8175.7-107.8-176.7173.5169.3-1.7104.3K541 Y545K541-R543 PolarHBondContact O-N 3.13Å; R543-Y545 VanDerWaalsContact C-N 3.34Å; R543-Y545 PolarHBondContact O-N 3.28Å
544R41.7Very low54.9Low245 Ų245132.7 Ų132.793%0.92566%0.662SS**  trans-49.5107.1-175.8-76.5-176-179.8173.6-0.2105.4P542 K546P542-R544 PolarHBondContact O-N 3.16Å; R544-K546 PolarHBondContact O-N 3.44Å
545Y40.8Very low52.2Low196 Ų196133.7 Ų133.777%0.76966%0.664SS**  trans-57.4113.3179.4-94.1-97.1000103.8R543 K547R543-Y545 VanDerWaalsContact C-N 3.34Å; R543-Y545 PolarHBondContact O-N 3.28Å; Y545-K547 VanDerWaalsContact C-N 3.33Å; Y545-K547 PolarHBondContact O-N 3.26Å
546K34.3Very low50.2Low194 Ų194135.3 Ų135.384%0.84368%0.679SS**  trans-55.3109.9172-84-175.7173.8-179.10103.6R544 C548R544-K546 PolarHBondContact O-N 3.44Å; K546-C548 VanDerWaalsContact C-N 3.29Å; K546-C548 PolarHBondContact O-N 3.47Å
547K36.2Very low47.9Very low191 Ų191143.7 Ų143.783%0.8372%0.718SS**  trans-56101.2177.1-86.8-175.3172-179.70106Y545 K549Y545-K547 VanDerWaalsContact C-N 3.33Å; Y545-K547 PolarHBondContact O-N 3.26Å; K547-K549 PolarHBondContact O-N 3.09Å
548C33.6Very low46.1Very low107 Ų107148.6 Ų148.672%0.72374%0.74SS**  trans-63.497165.1-72.50000105.1K546 N550K546-C548 VanDerWaalsContact C-N 3.29Å; K546-C548 PolarHBondContact O-N 3.47Å; C548-N550 PolarHBondContact O-N 3.17Å
549K40.2Very low44.3Very low195 Ų195148 Ų14885%0.84874%0.738SS**  trans-71.262171.5-74.1-173.4173.4-175.30108.7K547 S551K547-K549 PolarHBondContact O-N 3.09Å; K549-S551 PolarHBondContact O-N 3.49Å
550N37.3Very low43Very low132 Ų132152.7 Ų152.771%0.70676%0.763SS**  trans-86.389.6174-7516.3000107.8C548 L552C548-N550 PolarHBondContact O-N 3.17Å; N550-L552 PolarHBondContact O-N 3.48Å
551S43.2Very low42.6Very low91 Ų91159 Ų15964%0.63678%0.777SS**  trans33.285143.4590000117.1K549 K553K549-S551 PolarHBondContact O-N 3.49Å; S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 3.44Å
552L39.9Very low42.2Very low187 Ų187157.4 Ų157.498%0.97978%0.777SS**  trans-74.598.2136.5-132.678.1000106.1N550N550-L552 PolarHBondContact O-N 3.48Å
553K44.1Very low42.3Very low172 Ų172160.7 Ų160.775%0.74880%0.795SS**  trans-115.1117.9168.3-93.6-169.8174-175.10108.3S551S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 3.44Å
554N40.2Very low42.7Very low145 Ų145156.6 Ų156.678%0.77579%0.791SS**  trans57.698.9147.3-50.110.2000117.1
555T35.6Very low43.2Very low140 Ų140153.5 Ų153.586%0.85978%0.784SS**PPolyproline II helixtrans-98.6139.8132.534.10000108.2
556P48.2Very low43.7Very low107 Ų107151.8 Ų151.870%0.69579%0.789SS**PPolyproline II helixtrans-82.3151.4-167.232.9-36.1000113.2
557E42.2Very low44.4Very low186 Ų186148 Ų14887%0.86979%0.786SS**PPolyproline II helixtrans-61.1131.7158.2-66.7164.8150.700108.8
558V50.3Low45.2Very low137 Ų137145.2 Ų145.283%0.8379%0.788SS**  trans-113.295.4169.21780000107
559D44.2Very low45.7Very low131 Ų131143.3 Ų143.370%0.70179%0.786SS**  trans-100.2135.1175.7-104.8-5.8000110.4
560N47.1Very low46.6Very low127 Ų127140.4 Ų140.468%0.67979%0.787SS**  trans66.4116.8157.2-58.2-54.5000120.5
561E49.9Very low47.4Very low188 Ų188139.9 Ų139.988%0.87979%0.794SS**  -163.2109.9108.5-99.8170.1-16300106.9
562N48.2Very low48.2Very low140 Ų140143.6 Ų143.675%0.74980%0.801SS**  63144.482.3-93.4-36.6000115.9
563V48.1Very low49.1Very low127 Ų127140.9 Ų140.977%0.7779%0.787SS**  trans77.4124.7-179.9-168.80000111.8
564D51.5Low49.5Very low150 Ų150140 Ų14080%0.80279%0.79SS**  cis-140.7168.534-130.4-33000115.8
565K51.6Low50Low180 Ų180146.1 Ų146.178%0.78381%0.81SS**  trans-88.4142.4173.3-62.5166.5-179.7168.40110.3
566D50.9Low50.7Low161 Ų161146.5 Ų146.586%0.86181%0.808SS**  -174.1143.9118.4-96.6-21.3000112.7
567S50.5Low50.8Low113 Ų113148.5 Ų148.579%0.7981%0.814SS**  trans-101.9149.6168-600000109
568P52.7Low51.3Low134 Ų134146.4 Ų146.487%0.8781%0.811SS**  -136.2151.488.233.6-19.3000111.5
569G43.4Very low51.4Low66 Ų66147 Ų14768%0.6881%0.81SS**  cis121.6104.231.600000107.4
570P59.2Low51.8Low134 Ų134148 Ų14887%0.8782%0.816SS**PPolyproline II helixtrans-83.3124.6-172.531.4-32.7000111.7
571S54.6Low52.2Low121 Ų121149.4 Ų149.485%0.84683%0.826SS**PPolyproline II helixtrans-81.6120.9173.151.80000111.4
572H59.8Low52.3Low170 Ų170146.6 Ų146.679%0.78782%0.822SS**PPolyproline II helixtrans-75.1141.1168.1-109.6-85.4000111.6
573D58.9Low52.6Low129 Ų129147.2 Ų147.269%0.6983%0.827SS**  trans30.6156.5143.4-56-37.5000124.4
574L52.9Low53Low154 Ų154148.8 Ų148.881%0.80683%0.832SS**  trans82.893.5163.5-52.7175.3000117.2
575F50.1Low53.1Low274 Ų274148.7 Ų148.7100%1.20284%0.835SS**  -166091-110.7-78.2000112.6

Retrieved 575 of 575 residues in 63.6 ms (Link to these results)