A0A096MZS7_PAPAN Loading...

Nucleolar protein 4

AlphaFold DB (A0A2K6KI48), UniProt , Accession A0A096MZS7, Species PAPAN (Papio anubis, Olive baboon), Gene NOL4, Length 638 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
1M49.2Very low80.4Confident176 Ų176103.2 Ų103.287%0.86748%0.475SS*.  0-55.70-76.5-167-118.700112.3E4 R5M1-E4 WeakPolarHBondContact O-CB 3.29Å; M1-E4 PolarHBondContact O-N 3.08Å; M1-R5 PolarHBondContact O-N 3.18Å
2E58.1Low81.5Confident145 Ų14596.3 Ų96.368%0.67844%0.443SS*.Hα-helixtrans-62.3-55.3-178.3-72.1150.9147.300112.7E4 R5 D6E2-E4 PolarHBondContact O-N 3.31Å; E2-R5 WeakPolarHBondContact O-CA 3.42Å; E2-R5 WeakPolarHBondContact O-CB 3.36Å; E2-R5 PolarHBondContact O-N 2.92Å; E2-D6 PolarHBondContact O-N 3.3Å; E2-D6 VanDerWaalsContact O-OD2 3.14Å
3S70.9Confident82.4Confident77 Ų7794.8 Ų94.854%0.53844%0.441SS..Hα-helixtrans-50.6-25.2175.2165.20000115.2M7S3-M7 WeakPolarHBondContact O-CB 3.43Å; S3-M7 PolarHBondContact O-N 3.15Å; S3-M7 VanDerWaalsContact O-N 3.1Å
4E77.4Confident83.2Confident71 Ų7191.3 Ų91.333%0.33242%0.422SS..Hα-helixtrans-80.4-41.6175.8-178.9-177.9-168.800111.8M1 E2 D6 M7 Y8 Y113M1-E4 WeakPolarHBondContact O-CB 3.29Å; M1-E4 PolarHBondContact O-N 3.08Å; E2-E4 PolarHBondContact O-N 3.31Å; E4-D6 VanDerWaalsContact C-N 3.29Å; E4-D6 PolarHBondContact O-N 2.82Å; E4-M7 PolarHBondContact O-N 2.92Å; E4-Y8 WeakPolarHBondContact O-CB 3.32Å; E4-Y8 PolarHBondContact O-N 3.26Å; E4-Y113 HydrophobicContact CG-CE2 4.19Å; E4-Y113 WeakPolarHBondContact OE1-CE2 3.41Å; E4-Y113 PolarHBondContact OE1-OH 3.03Å
5R84.3Confident83.9Confident152 Ų15285.2 Ų85.257%0.57439%0.394SS*.Hα-helixtrans-65.2-34.4171.6-60.9-179.8-159.8156.84.4111.7M1 E2 Y8 R9M1-R5 PolarHBondContact O-N 3.18Å; E2-R5 WeakPolarHBondContact O-CA 3.42Å; E2-R5 WeakPolarHBondContact O-CB 3.36Å; E2-R5 PolarHBondContact O-N 2.92Å; R5-Y8 PolarHBondContact O-N 3.44Å; R5-R9 WeakPolarHBondContact O-CB 3.25Å; R5-R9 VanDerWaalsContact O-CG 3.29Å; R5-R9 WeakPolarHBondContact O-CG 3.41Å; R5-R9 PolarHBondContact O-N 2.96Å
6D86.4Confident84.5Confident77 Ų7784.3 Ų84.341%0.41239%0.392SS..Hα-helixtrans-72.6-40.7177.9-60.4-38000111.2E2 E4 R9 Q10E2-D6 PolarHBondContact O-N 3.3Å; E2-D6 VanDerWaalsContact O-OD2 3.14Å; E4-D6 VanDerWaalsContact C-N 3.29Å; E4-D6 PolarHBondContact O-N 2.82Å; D6-R9 PolarHBondContact O-N 3.15Å; D6-Q10 WeakPolarHBondContact O-CB 3.46Å; D6-Q10 VanDerWaalsContact O-CG 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.37Å; D6-Q10 PolarHBondContact O-N 3.05Å
7M87.6Confident84.9Confident26 Ų2689.4 Ų89.413%0.12841%0.407CS..Hα-helixtrans-59.6-47.7169.3-167.4-159.6-53.200111S3 E4 R9 Q10 F11 F109 F154 S157S3-M7 WeakPolarHBondContact O-CB 3.43Å; S3-M7 PolarHBondContact O-N 3.15Å; S3-M7 VanDerWaalsContact O-N 3.1Å; E4-M7 PolarHBondContact O-N 2.92Å; M7-R9 PolarHBondContact O-N 2.89Å; M7-Q10 PolarHBondContact O-N 3.29Å; M7-F11 WeakPolarHBondContact O-CB 3.46Å; M7-F11 PolarHBondContact O-N 3.12Å; M7-F109 HydrophobicContact CB-CE2 4.3Å; M7-F109 HydrophobicContact CG-CE2 4Å; M7-F109 HydrophobicContact SD-CE2 3.86Å; M7-F109 HydrophobicContact SD-CZ 4.17Å; M7-F154 HydrophobicContact SD-CE2 4.24Å; M7-F154 HydrophobicContact SD-CZ 4.49Å; M7-S157 WeakPolarHBondContact CE-O 3.42Å
8Y91.2Very high85.3Confident84 Ų8487.2 Ų87.233%0.32940%0.402SS..Hα-helixtrans-54.5-53.5175174.9-85000110.9E4 R5 F11 Q12 F109E4-Y8 WeakPolarHBondContact O-CB 3.32Å; E4-Y8 PolarHBondContact O-N 3.26Å; R5-Y8 PolarHBondContact O-N 3.44Å; Y8-F11 PolarHBondContact O-N 3.46Å; Y8-Q12 HydrophobicContact CD1-CB 4.49Å; Y8-Q12 HydrophobicContact CE1-CB 4.21Å; Y8-Q12 HydrophobicContact CE1-CG 4.22Å; Y8-Q12 WeakPolarHBondContact O-CB 3.45Å; Y8-Q12 PolarHBondContact O-N 3.05Å; Y8-Q12 PolarHBondContact OH-NE2 3.1Å; Y8-F109 VanDerWaalsContact CA-CE2 3.47Å; Y8-F109 HydrophobicContact CD2-CB 3.87Å; Y8-F109 AromaticContact CD2-CD1 3.56Å; Y8-F109 HydrophobicContact CD2-CD1 3.56Å; Y8-F109 HydrophobicContact CD2-CD2 4.19Å; Y8-F109 HydrophobicContact CD2-CE1 4.08Å; Y8-F109 AromaticContact CD2-CG 3.6Å; Y8-F109 HydrophobicContact CD2-CG 3.6Å; Y8-F109 HydrophobicContact CE2-CB 4.1Å; Y8-F109 HydrophobicContact CE2-CD1 4.34Å; Y8-F109 HydrophobicContact CE2-CG 4.32Å; Y8-F109 HydrophobicContact CG-CD1 4.48Å; Y8-F109 HydrophobicContact CG-CG 4.43Å
9R92.4Very high85.6Confident175 Ų17583.3 Ų83.366%0.6638%0.383SS*.Hα-helixtrans-55.4-58.1-179.8-79.3174.8176.1-82.62110.6R5 D6 M7 F11 Q12 D13R5-R9 WeakPolarHBondContact O-CB 3.25Å; R5-R9 VanDerWaalsContact O-CG 3.29Å; R5-R9 WeakPolarHBondContact O-CG 3.41Å; R5-R9 PolarHBondContact O-N 2.96Å; D6-R9 PolarHBondContact O-N 3.15Å; M7-R9 PolarHBondContact O-N 2.89Å; R9-F11 VanDerWaalsContact C-N 3.32Å; R9-F11 PolarHBondContact O-N 2.93Å; R9-Q12 PolarHBondContact O-N 3.26Å; R9-D13 VanDerWaalsContact O-CB 3.31Å; R9-D13 WeakPolarHBondContact O-CB 3.24Å; R9-D13 PolarHBondContact O-N 3.28Å
10Q92.1Very high85.7Confident147 Ų14779.5 Ų79.569%0.68737%0.368SS*.Hα-helixtrans-60.9-38.7-176.5-67.617642.600113.1D6 M7 W14D6-Q10 WeakPolarHBondContact O-CB 3.46Å; D6-Q10 VanDerWaalsContact O-CG 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.37Å; D6-Q10 PolarHBondContact O-N 3.05Å; M7-Q10 PolarHBondContact O-N 3.29Å; Q10-W14 PolarHBondContact O-N 3.17Å
11F94.4Very high85.5Confident5 Ų579.4 Ų79.42%0.02237%0.37CS..Hα-helixtrans-70.3-49.3178.6-177.8-96.1000111.9M7 Y8 R9 D13 W14 C15 F108 F109 I112 A150 R153 F154M7-F11 WeakPolarHBondContact O-CB 3.46Å; M7-F11 PolarHBondContact O-N 3.12Å; Y8-F11 PolarHBondContact O-N 3.46Å; R9-F11 VanDerWaalsContact C-N 3.32Å; R9-F11 PolarHBondContact O-N 2.93Å; F11-D13 PolarHBondContact O-N 3.37Å; F11-W14 HydrophobicContact CE2-CE3 4.49Å; F11-W14 HydrophobicContact CE2-CZ3 4.36Å; F11-W14 PolarHBondContact O-N 3.41Å; F11-C15 WeakPolarHBondContact CE1-SG 3.29Å; F11-C15 VanDerWaalsContact CZ-SG 3.56Å; F11-C15 PolarHBondContact O-N 3.33Å; F11-F108 HydrophobicContact CE1-CB 4.16Å; F11-F109 HydrophobicContact CB-CD2 4.14Å; F11-F109 HydrophobicContact CD1-CB 3.96Å; F11-F109 AromaticContact CD1-CD2 3.84Å; F11-F109 HydrophobicContact CD1-CD2 3.84Å; F11-F109 HydrophobicContact CD1-CG 4.41Å; F11-F109 HydrophobicContact CE1-CB 4.25Å; F11-F109 HydrophobicContact CG-CD2 4.18Å; F11-I112 HydrophobicContact CE1-CD1 4.18Å; F11-I112 HydrophobicContact CZ-CD1 3.65Å; F11-A150 VanDerWaalsContact CE2-O 3.27Å; F11-A150 WeakPolarHBondContact CE2-O 3.38Å; F11-A150 HydrophobicContact CZ-CB 4.19Å; F11-R153 HydrophobicContact CE2-CB 4.29Å; F11-F154 HydrophobicContact CD2-CB 4.19Å; F11-F154 HydrophobicContact CE2-CB 3.68Å; F11-F154 HydrophobicContact CZ-CB 4.07Å
12Q93.8Very high86.6Confident20 Ų2076.5 Ų76.59%0.09337%0.367CS..Hα-helixtrans-61.4-44-179.3-174.374.7-45.400111.4Y8 R9 W14 C15 L16 E106Y8-Q12 HydrophobicContact CD1-CB 4.49Å; Y8-Q12 HydrophobicContact CE1-CB 4.21Å; Y8-Q12 HydrophobicContact CE1-CG 4.22Å; Y8-Q12 WeakPolarHBondContact O-CB 3.45Å; Y8-Q12 PolarHBondContact O-N 3.05Å; Y8-Q12 PolarHBondContact OH-NE2 3.1Å; R9-Q12 PolarHBondContact O-N 3.26Å; Q12-W14 VanDerWaalsContact C-N 3.3Å; Q12-W14 PolarHBondContact O-N 3.4Å; Q12-C15 PolarHBondContact O-N 3.28Å; Q12-L16 HydrophobicContact CG-CD1 4.25Å; Q12-L16 WeakPolarHBondContact O-CB 3.49Å; Q12-L16 WeakPolarHBondContact O-CG 3.38Å; Q12-L16 PolarHBondContact O-N 3.21Å; Q12-E106 PolarHBondContact NE2-O 3.42Å
13D93.9Very high86.8Confident78 Ų7870.8 Ų70.842%0.41735%0.347SS..Hα-helixtrans-57.1-43.6175.6-12236000111.8R9 F11 R17R9-D13 VanDerWaalsContact O-CB 3.31Å; R9-D13 WeakPolarHBondContact O-CB 3.24Å; R9-D13 PolarHBondContact O-N 3.28Å; F11-D13 PolarHBondContact O-N 3.37Å; D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 WeakPolarHBondContact O-CG 3.44Å; D13-R17 PolarHBondContact O-N 3.24Å; D13-R17 IonicContact OD1-NH1 3.54Å; D13-R17 IonicContact OD2-CZ 2.7Å; D13-R17 IonicContact OD2-NH1 3.31Å; D13-R17 PolarHBondContact OD2-NH1 3.41Å; D13-R17 IonicContact OD2-NH2 3.46Å; D13-R17 PolarHBondContact OD2-NH2 3.03Å
14W93.9Very high86.7Confident45 Ų4577.9 Ų77.917%0.1737%0.368CS..Hα-helixtrans-69.9-41175.7172.279.7000112.4Q10 F11 Q12 R17 T18 Y19 A150 R153Q10-W14 PolarHBondContact O-N 3.17Å; F11-W14 HydrophobicContact CE2-CE3 4.49Å; F11-W14 HydrophobicContact CE2-CZ3 4.36Å; F11-W14 PolarHBondContact O-N 3.41Å; Q12-W14 VanDerWaalsContact C-N 3.3Å; Q12-W14 PolarHBondContact O-N 3.4Å; W14-R17 PolarHBondContact O-N 2.91Å; W14-T18 VanDerWaalsContact CE2-OG1 3.31Å; W14-T18 HydrophobicContact CZ2-CG2 4.03Å; W14-T18 PolarHBondContact NE1-OG1 3.45Å; W14-T18 VanDerWaalsContact O-CB 3.23Å; W14-T18 WeakPolarHBondContact O-CB 3.18Å; W14-T18 PolarHBondContact O-N 3.25Å; W14-T18 PolarHBondContact O-OG1 2.74Å; W14-Y19 AromaticContact CH2-CE2 3.61Å; W14-Y19 HydrophobicContact CH2-CE2 3.61Å; W14-Y19 AromaticContact CH2-CZ 3.95Å; W14-Y19 HydrophobicContact CZ2-CE2 4.34Å; W14-Y19 AromaticContact CZ3-CE2 3.8Å; W14-Y19 HydrophobicContact CZ3-CE2 3.8Å; W14-A150 HydrophobicContact CZ3-CB 4.19Å; W14-R153 HydrophobicContact CH2-CB 4.39Å; W14-R153 HydrophobicContact CZ3-CB 4.23Å
15C93.8Very high86.7Confident0 Ų076.5 Ų76.50%037%0.365CS..Hα-helixtrans-61.9-43.1176.4-82.50000111.8F11 Q12 T18 Y19 V105F11-C15 WeakPolarHBondContact CE1-SG 3.29Å; F11-C15 VanDerWaalsContact CZ-SG 3.56Å; F11-C15 PolarHBondContact O-N 3.33Å; Q12-C15 PolarHBondContact O-N 3.28Å; C15-T18 PolarHBondContact O-N 3.06Å; C15-Y19 HydrophobicContact CB-CD2 4.48Å; C15-Y19 WeakPolarHBondContact O-CA 3.35Å; C15-Y19 WeakPolarHBondContact O-CB 3.12Å; C15-Y19 PolarHBondContact O-N 2.84Å; C15-V105 HydrophobicContact CB-CG1 4.25Å
16L92.2Very high86.8Confident71 Ų7178 Ų7837%0.37238%0.375SS..Hα-helixtrans-64.4-45.1174.9-72.2173.1000111.9Q12 T18 G20 E106Q12-L16 HydrophobicContact CG-CD1 4.25Å; Q12-L16 WeakPolarHBondContact O-CB 3.49Å; Q12-L16 WeakPolarHBondContact O-CG 3.38Å; Q12-L16 PolarHBondContact O-N 3.21Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 2.72Å; L16-G20 WeakPolarHBondContact O-CA 3.48Å; L16-G20 PolarHBondContact O-N 2.88Å; L16-E106 HydrophobicContact CD2-CG 4.08Å
17R91.8Very high87.1Confident171 Ų17174.5 Ų74.565%0.64536%0.357SS*.Hα-helixtrans-64.2-29.4175.8-76.5-169.5-79.9-83.611.5113.9D13 W14D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 WeakPolarHBondContact O-CG 3.44Å; D13-R17 PolarHBondContact O-N 3.24Å; D13-R17 IonicContact OD1-NH1 3.54Å; D13-R17 IonicContact OD2-CZ 2.7Å; D13-R17 IonicContact OD2-NH1 3.31Å; D13-R17 PolarHBondContact OD2-NH1 3.41Å; D13-R17 IonicContact OD2-NH2 3.46Å; D13-R17 PolarHBondContact OD2-NH2 3.03Å; W14-R17 PolarHBondContact O-N 2.91Å
18T91.6Very high87.4Confident50 Ų5073.3 Ų73.331%0.30735%0.351SS..Hα-helixtrans-96.8-34.5-174.2-51.80000113.3W14 C15 L16W14-T18 VanDerWaalsContact CE2-OG1 3.31Å; W14-T18 HydrophobicContact CZ2-CG2 4.03Å; W14-T18 PolarHBondContact NE1-OG1 3.45Å; W14-T18 VanDerWaalsContact O-CB 3.23Å; W14-T18 WeakPolarHBondContact O-CB 3.18Å; W14-T18 PolarHBondContact O-N 3.25Å; W14-T18 PolarHBondContact O-OG1 2.74Å; C15-T18 PolarHBondContact O-N 3.06Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 2.72Å
19Y92.2Very high87.5Confident13 Ų1369.3 Ų69.35%0.05134%0.336CS..Hα-helixtrans-124.7-4-168.7-56.7-54.9000114.9W14 C15 T25 T27 F108 P147 E149 A150W14-Y19 AromaticContact CH2-CE2 3.61Å; W14-Y19 HydrophobicContact CH2-CE2 3.61Å; W14-Y19 AromaticContact CH2-CZ 3.95Å; W14-Y19 HydrophobicContact CZ2-CE2 4.34Å; W14-Y19 AromaticContact CZ3-CE2 3.8Å; W14-Y19 HydrophobicContact CZ3-CE2 3.8Å; C15-Y19 HydrophobicContact CB-CD2 4.48Å; C15-Y19 WeakPolarHBondContact O-CA 3.35Å; C15-Y19 WeakPolarHBondContact O-CB 3.12Å; C15-Y19 PolarHBondContact O-N 2.84Å; Y19-T25 HydrophobicContact CD1-CG2 4.48Å; Y19-T25 PolarHBondContact O-OG1 2.72Å; Y19-T27 HydrophobicContact CD1-CG2 3.95Å; Y19-T27 HydrophobicContact CG-CG2 4.04Å; Y19-T27 PolarHBondContact O-OG1 3.31Å; Y19-F108 HydrophobicContact CD2-CE2 4.05Å; Y19-P147 HydrophobicContact CD1-CG 4.19Å; Y19-P147 HydrophobicContact CD2-CG 4.46Å; Y19-P147 HydrophobicContact CE1-CB 4.22Å; Y19-P147 HydrophobicContact CE1-CG 3.84Å; Y19-P147 HydrophobicContact CE2-CG 4.12Å; Y19-P147 HydrophobicContact CG-CG 4.5Å; Y19-E149 VanDerWaalsContact OH-CB 3.28Å; Y19-E149 WeakPolarHBondContact OH-CB 3.37Å; Y19-E149 PolarHBondContact OH-OE2 3.49Å; Y19-A150 HydrophobicContact CE2-CB 4.14Å
20G86.9Confident87.6Confident7 Ų765.5 Ų65.57%0.07232%0.321CS..SBendtrans-69.4-177.2179.900000115.7L16 S22 G23L16-G20 WeakPolarHBondContact O-CA 3.48Å; L16-G20 PolarHBondContact O-N 2.88Å; G20-S22 PolarHBondContact O-N 2.8Å; G20-S22 VanDerWaalsContact O-N 3.12Å; G20-G23 PolarHBondContact O-N 3.38Å
21D80.8Confident87.5Confident78 Ų7865 Ų6542%0.41732%0.317SS..THydrogen-bonded Turntrans-59.6-25.9-168.9-65.8-35000115.1G23 T29 K31D21-G23 PolarHBondContact O-N 3.23Å; D21-T29 VanDerWaalsContact OD1-CB 3.31Å; D21-T29 WeakPolarHBondContact OD1-CB 3.33Å; D21-T29 WeakPolarHBondContact OD1-CG2 3.43Å; D21-T29 PolarHBondContact OD1-OG1 2.85Å; D21-K31 WeakPolarHBondContact OD2-CD 3.45Å; D21-K31 IonicContact OD2-NZ 3.18Å; D21-K31 PolarHBondContact OD2-NZ 2.87Å
22S73.2Confident87.4Confident114 Ų11466.7 Ų66.780%0.79732%0.324SS*.THydrogen-bonded Turntrans-71.1-17.9176.2560000113.2G20G20-S22 PolarHBondContact O-N 2.8Å; G20-S22 VanDerWaalsContact O-N 3.12Å
23G62Low87.4Confident26 Ų2667.6 Ų67.627%0.26833%0.327SS..SBendtrans-84.2138.8179.300000113.2G20 D21 T25G20-G23 PolarHBondContact O-N 3.38Å; D21-G23 PolarHBondContact O-N 3.23Å; G23-T25 PolarHBondContact O-N 2.96Å; G23-T25 PolarHBondContact O-OG1 3.43Å
24K68.3Low87.3Confident226 Ų22668.3 Ų68.398%0.98333%0.328SS*.  trans-77.752164.6-65.2-171.6179.8-178.10110.9
25T78Confident87.2Confident42 Ų4270.4 Ų70.426%0.25834%0.335SS..  trans-95.8156.4-170.250.50000112Y19 G23 T27Y19-T25 HydrophobicContact CD1-CG2 4.48Å; Y19-T25 PolarHBondContact O-OG1 2.72Å; G23-T25 PolarHBondContact O-N 2.96Å; G23-T25 PolarHBondContact O-OG1 3.43Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 WeakPolarHBondContact CB-OG1 3.31Å; T25-T27 PolarHBondContact OG1-OG1 3.1Å; T25-T27 VanDerWaalsContact OG1-OG1 3.06Å
26K85.3Confident87.1Confident182 Ų18270.4 Ų70.479%0.79134%0.335SS*.SBendtrans-83-8175.9-65.5-179.3-179.5175.80113.2F145K26-F145 VanDerWaalsContact O-CD1 3.22Å; K26-F145 WeakPolarHBondContact O-CD1 3.49Å
27T92.9Very high87.1Confident5 Ų568 Ų683%0.03132%0.324CS..SBendtrans-70.3162.2-178.945.30000112.2Y19 T25 K32 V105 F108 P147Y19-T27 HydrophobicContact CD1-CG2 3.95Å; Y19-T27 HydrophobicContact CG-CG2 4.04Å; Y19-T27 PolarHBondContact O-OG1 3.31Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 WeakPolarHBondContact CB-OG1 3.31Å; T25-T27 PolarHBondContact OG1-OG1 3.1Å; T25-T27 VanDerWaalsContact OG1-OG1 3.06Å; T27-K32 PolarHBondContact O-NZ 3.36Å; T27-V105 HydrophobicContact CG2-CG2 4.27Å; T27-F108 HydrophobicContact CG2-CE2 4.4Å; T27-F108 HydrophobicContact CG2-CZ 4.1Å; T27-P147 HydrophobicContact CG2-CG 3.59Å
28V94.2Very high87Confident0 Ų064.1 Ų64.10%031%0.313CS..BIsolated β-bridgetrans-112.9111.9179.4-173.90000109K32 Y33 I36 W56 F62 V102 V104 V105 F145V28-K32 HydrophobicContact CG1-CB 4.17Å; V28-K32 HydrophobicContact CG1-CG 4.44Å; V28-Y33 HydrophobicContact CG1-CD2 4.31Å; V28-I36 HydrophobicContact CG1-CD1 4.04Å; V28-W56 HydrophobicContact CG2-CH2 4.27Å; V28-F62 HydrophobicContact CG2-CZ 4.5Å; V28-V102 HydrophobicContact CB-CG1 3.93Å; V28-V102 HydrophobicContact CG1-CG1 4.12Å; V28-V102 HydrophobicContact CG2-CG1 3.74Å; V28-V104 CarbonylContact O-C 3.58Å; V28-V104 VanDerWaalsContact O-CA 3.27Å; V28-V104 WeakPolarHBondContact O-CA 3.29Å; V28-V105 PolarHBondContact O-N 3.48Å; V28-F145 HydrophobicContact CG2-CB 4.33Å; V28-F145 HydrophobicContact CG2-CD1 4.46Å; V28-F145 HydrophobicContact CG2-CD2 4.38Å; V28-F145 HydrophobicContact CG2-CG 4.15Å
29T94.5Very high87Confident1 Ų163.4 Ų63.41%0.00631%0.307CS..  trans-79.6164.8168.8460000110.5D21 K31 K32 Y33 V105 E106D21-T29 VanDerWaalsContact OD1-CB 3.31Å; D21-T29 WeakPolarHBondContact OD1-CB 3.33Å; D21-T29 WeakPolarHBondContact OD1-CG2 3.43Å; D21-T29 PolarHBondContact OD1-OG1 2.85Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 3.31Å; T29-K32 CarbonylContact O-C 3.53Å; T29-K32 WeakPolarHBondContact O-CA 3.36Å; T29-K32 WeakPolarHBondContact O-CB 3.31Å; T29-K32 PolarHBondContact O-N 3.14Å; T29-K32 WeakPolarHBondContact OG1-CB 3.49Å; T29-Y33 WeakPolarHBondContact O-CB 3.42Å; T29-Y33 PolarHBondContact O-N 2.91Å; T29-V105 HydrophobicContact CG2-CB 4.35Å; T29-V105 HydrophobicContact CG2-CG2 4.26Å; T29-E106 VanDerWaalsContact CA-OE2 3.23Å; T29-E106 WeakPolarHBondContact CA-OE2 3.35Å
30R93.3Very high86.8Confident94 Ų9466 Ų6636%0.35532%0.321SS..Hα-helixtrans-59.7-42.3-178.8-162.1179.3-54.9-64.72.9112K32 Y33 E34 V104 E106 D107R30-K32 VanDerWaalsContact C-N 3.32Å; R30-K32 PolarHBondContact O-N 2.8Å; R30-Y33 VanDerWaalsContact O-CB 3.31Å; R30-Y33 WeakPolarHBondContact O-CB 3.42Å; R30-Y33 PolarHBondContact O-N 2.59Å; R30-Y33 VanDerWaalsContact O-N 3.15Å; R30-E34 WeakPolarHBondContact CG-OE1 3.38Å; R30-E34 WeakPolarHBondContact O-CG 3.35Å; R30-E34 PolarHBondContact O-N 3.37Å; R30-V104 HydrophobicContact CB-CG1 4.09Å; R30-E106 HydrophobicContact CB-CG 4.48Å; R30-E106 WeakPolarHBondContact CB-OE1 3.33Å; R30-E106 PolarHBondContact N-OE1 2.75Å; R30-E106 PolarHBondContact N-OE2 3.16Å; R30-D107 IonicContact CZ-OD1 3.73Å; R30-D107 IonicContact CZ-OD2 2.72Å; R30-D107 IonicContact NH1-OD1 3.44Å; R30-D107 PolarHBondContact NH1-OD1 3.47Å; R30-D107 IonicContact NH1-OD2 2.8Å; R30-D107 PolarHBondContact NH1-OD2 2.69Å; R30-D107 IonicContact NH2-OD1 2.7Å; R30-D107 PolarHBondContact NH2-OD1 3.05Å; R30-D107 IonicContact NH2-OD2 2.74Å
31K91.4Very high86.8Confident136 Ų13669.5 Ų69.559%0.59134%0.338SS*.Hα-helixtrans-60.6-38.9172.6-57.1-174.9-157.9137.30112.7D21 T29 R35D21-K31 WeakPolarHBondContact OD2-CD 3.45Å; D21-K31 IonicContact OD2-NZ 3.18Å; D21-K31 PolarHBondContact OD2-NZ 2.87Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 3.31Å; K31-R35 VanDerWaalsContact O-CB 3.24Å; K31-R35 WeakPolarHBondContact O-CB 3.42Å; K31-R35 PolarHBondContact O-N 3.24Å
32K91.7Very high86.9Confident42 Ų4268.9 Ų68.918%0.18335%0.351CS..Hα-helixtrans-70.5-35.7176.8-163.7-178.7-52.7173.90111.2T27 V28 T29 R30 I36 F53 W56T27-K32 PolarHBondContact O-NZ 3.36Å; V28-K32 HydrophobicContact CG1-CB 4.17Å; V28-K32 HydrophobicContact CG1-CG 4.44Å; T29-K32 CarbonylContact O-C 3.53Å; T29-K32 WeakPolarHBondContact O-CA 3.36Å; T29-K32 WeakPolarHBondContact O-CB 3.31Å; T29-K32 PolarHBondContact O-N 3.14Å; T29-K32 WeakPolarHBondContact OG1-CB 3.49Å; R30-K32 VanDerWaalsContact C-N 3.32Å; R30-K32 PolarHBondContact O-N 2.8Å; K32-I36 WeakPolarHBondContact O-CD1 3.21Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å; K32-I36 PolarHBondContact O-N 2.83Å; K32-F53 HydrophobicContact CG-CE2 4.14Å; K32-W56 HydrophobicContact CD-CH2 4.18Å; K32-W56 HydrophobicContact CD-CZ3 4.32Å
33Y93.4Very high86.9Confident39 Ų3967.3 Ų67.315%0.15334%0.34CS..Hα-helixtrans-63-55.6174.6-171.8-79.2000111V28 T29 R30 R35 I36 V37 Q79 V80 L81 V102 V104V28-Y33 HydrophobicContact CG1-CD2 4.31Å; T29-Y33 WeakPolarHBondContact O-CB 3.42Å; T29-Y33 PolarHBondContact O-N 2.91Å; R30-Y33 VanDerWaalsContact O-CB 3.31Å; R30-Y33 WeakPolarHBondContact O-CB 3.42Å; R30-Y33 PolarHBondContact O-N 2.59Å; R30-Y33 VanDerWaalsContact O-N 3.15Å; Y33-R35 PolarHBondContact O-N 3.29Å; Y33-I36 WeakPolarHBondContact O-CB 3.44Å; Y33-I36 PolarHBondContact O-N 3.15Å; Y33-V37 HydrophobicContact CD1-CG2 3.93Å; Y33-V37 HydrophobicContact CE1-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.8Å; Y33-Q79 PolarHBondContact OH-O 2.81Å; Y33-V80 VanDerWaalsContact OH-CA 3.29Å; Y33-V80 WeakPolarHBondContact OH-CA 3.43Å; Y33-L81 HydrophobicContact CD1-CD1 4.13Å; Y33-L81 HydrophobicContact CD2-CB 4.47Å; Y33-L81 HydrophobicContact CD2-CD1 3.68Å; Y33-L81 HydrophobicContact CD2-CG 4.34Å; Y33-L81 HydrophobicContact CE1-CD1 4.19Å; Y33-L81 HydrophobicContact CE1-CG 4.17Å; Y33-L81 HydrophobicContact CE2-CB 3.79Å; Y33-L81 HydrophobicContact CE2-CD1 3.78Å; Y33-L81 HydrophobicContact CE2-CG 3.92Å; Y33-L81 HydrophobicContact CG-CD1 3.89Å; Y33-L81 PolarHBondContact OH-N 3.16Å; Y33-V102 HydrophobicContact CD2-CG1 4.29Å; Y33-V102 HydrophobicContact CE2-CB 4.35Å; Y33-V102 HydrophobicContact CE2-CG1 4.49Å; Y33-V104 HydrophobicContact CD2-CG2 3.24Å; Y33-V104 HydrophobicContact CE2-CG2 3.77Å; Y33-V104 HydrophobicContact CG-CG2 3.83Å
34E92.4Very high87.4Confident92 Ų9267 Ų6743%0.4333%0.331SS..Hα-helixtrans-54.6-40.4176.1-71.4161.3-173.200111.5R30 V37 Q38R30-E34 WeakPolarHBondContact CG-OE1 3.38Å; R30-E34 WeakPolarHBondContact O-CG 3.35Å; R30-E34 PolarHBondContact O-N 3.37Å; E34-V37 WeakPolarHBondContact O-CB 3.46Å; E34-V37 PolarHBondContact O-N 2.99Å; E34-Q38 VanDerWaalsContact O-CG 3.29Å; E34-Q38 WeakPolarHBondContact O-CG 3.1Å; E34-Q38 PolarHBondContact O-N 2.98Å
35R91.2Very high86.9Confident89 Ų8960.6 Ų60.634%0.33632%0.315SS..Hα-helixtrans-68.1-36.6176.1-165.9-176.81761626113.7K31 Y33 V37 L39 E44 N50 F53K31-R35 VanDerWaalsContact O-CB 3.24Å; K31-R35 WeakPolarHBondContact O-CB 3.42Å; K31-R35 PolarHBondContact O-N 3.24Å; Y33-R35 PolarHBondContact O-N 3.29Å; R35-V37 VanDerWaalsContact C-N 3.35Å; R35-L39 WeakPolarHBondContact O-CB 3.45Å; R35-L39 PolarHBondContact O-N 2.94Å; R35-E44 IonicContact CZ-OE1 3.4Å; R35-E44 IonicContact NE-OE1 3.61Å; R35-E44 PolarHBondContact NE-OE1 2.9Å; R35-E44 IonicContact NH2-OE1 2.67Å; R35-E44 PolarHBondContact NH2-OE1 3.19Å; R35-N50 PolarHBondContact NH2-ND2 3.08Å; R35-N50 PolarHBondContact NH2-OD1 3.25Å; R35-F53 HydrophobicContact CB-CE1 4.41Å; R35-F53 HydrophobicContact CB-CZ 4.06Å; R35-F53 HydrophobicContact CG-CE1 3.68Å; R35-F53 HydrophobicContact CG-CZ 3.78Å
36I92.3Very high86Confident0 Ų063.7 Ų63.70%034%0.338CS..Hα-helixtrans-64-44.1171-65.5157.5000109.5V28 K32 Y33 L39 L40 F53 W56 V57 F62 L81V28-I36 HydrophobicContact CG1-CD1 4.04Å; K32-I36 WeakPolarHBondContact O-CD1 3.21Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å; K32-I36 PolarHBondContact O-N 2.83Å; Y33-I36 WeakPolarHBondContact O-CB 3.44Å; Y33-I36 PolarHBondContact O-N 3.15Å; I36-L39 PolarHBondContact O-N 3.15Å; I36-L40 HydrophobicContact CG2-CD1 3.82Å; I36-L40 HydrophobicContact CG2-CG 4.31Å; I36-L40 WeakPolarHBondContact O-CG 3.29Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-F53 HydrophobicContact CG1-CE2 4.29Å; I36-F53 HydrophobicContact CG1-CZ 3.81Å; I36-W56 HydrophobicContact CD1-CH2 4.21Å; I36-W56 HydrophobicContact CD1-CZ3 3.95Å; I36-W56 HydrophobicContact CG1-CZ3 4.29Å; I36-V57 HydrophobicContact CG1-CG2 3.95Å; I36-V57 HydrophobicContact CG2-CG1 4.02Å; I36-F62 HydrophobicContact CD1-CD1 4.19Å; I36-F62 HydrophobicContact CD1-CE1 3.82Å; I36-F62 HydrophobicContact CD1-CE2 4.31Å; I36-F62 HydrophobicContact CD1-CZ 3.88Å; I36-F62 HydrophobicContact CG2-CB 3.87Å; I36-F62 HydrophobicContact CG2-CD1 4.1Å; I36-F62 HydrophobicContact CG2-CD2 4.48Å; I36-F62 HydrophobicContact CG2-CG 3.93Å; I36-L81 HydrophobicContact CB-CD1 3.75Å; I36-L81 HydrophobicContact CD1-CD1 4.19Å; I36-L81 HydrophobicContact CG2-CD1 3.59Å; I36-L81 HydrophobicContact CG2-CD2 3.86Å; I36-L81 HydrophobicContact CG2-CG 4.42Å
37V91.7Very high85.1Confident20 Ų2057.3 Ų57.312%0.12132%0.317CS..Hα-helixtrans-59.5-47.11771710000111.3Y33 E34 R35 L39 L40 N41 L64 L81Y33-V37 HydrophobicContact CD1-CG2 3.93Å; Y33-V37 HydrophobicContact CE1-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.8Å; E34-V37 WeakPolarHBondContact O-CB 3.46Å; E34-V37 PolarHBondContact O-N 2.99Å; R35-V37 VanDerWaalsContact C-N 3.35Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 2.86Å; V37-L40 PolarHBondContact O-N 3.02Å; V37-N41 VanDerWaalsContact CG1-ND2 3.32Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.41Å; V37-N41 WeakPolarHBondContact O-CB 3.29Å; V37-N41 PolarHBondContact O-N 2.89Å; V37-N41 PolarHBondContact O-ND2 2.87Å; V37-N41 VanDerWaalsContact O-ND2 3.15Å; V37-L64 HydrophobicContact CB-CD2 4.41Å; V37-L64 HydrophobicContact CG1-CD2 4.19Å; V37-L64 HydrophobicContact CG2-CD2 4Å; V37-L81 HydrophobicContact CG2-CD1 4.02Å; V37-L81 HydrophobicContact CG2-CD2 4Å; V37-L81 HydrophobicContact CG2-CG 3.9Å
38Q90.1Very high83.5Confident91 Ų9163 Ų6343%0.42535%0.352SS..Hα-helixtrans-61.3-39.7176.4-72.7168.14.200112.6E34 G42 S43 E44E34-Q38 VanDerWaalsContact O-CG 3.29Å; E34-Q38 WeakPolarHBondContact O-CG 3.1Å; E34-Q38 PolarHBondContact O-N 2.98Å; Q38-G42 PolarHBondContact O-N 3.31Å; Q38-S43 WeakPolarHBondContact CA-OG 3.48Å; Q38-S43 PolarHBondContact O-N 3.43Å; Q38-S43 PolarHBondContact O-OG 3.13Å; Q38-E44 HydrophobicContact CB-CB 4.36Å; Q38-E44 PolarHBondContact O-N 3.11Å; Q38-E44 VanDerWaalsContact O-N 3.1Å
39L90.2Very high82.2Confident35 Ų3569.7 Ų69.718%0.18339%0.388CS..Hα-helixtrans-65.5-42.1175.4174.461000112R35 I36 V37 G42 E44 F53 K54 V57R35-L39 WeakPolarHBondContact O-CB 3.45Å; R35-L39 PolarHBondContact O-N 2.94Å; I36-L39 PolarHBondContact O-N 3.15Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 2.86Å; L39-G42 PolarHBondContact O-N 2.91Å; L39-E44 HydrophobicContact CB-CB 4.26Å; L39-F53 HydrophobicContact CD2-CD1 4.28Å; L39-F53 HydrophobicContact CD2-CE1 4.08Å; L39-K54 HydrophobicContact CD1-CD 3.82Å; L39-K54 HydrophobicContact CD1-CG 3.86Å; L39-K54 HydrophobicContact CD2-CB 4.32Å; L39-K54 HydrophobicContact CD2-CG 3.94Å; L39-V57 HydrophobicContact CD2-CB 3.89Å; L39-V57 HydrophobicContact CD2-CG1 4.01Å; L39-V57 HydrophobicContact CD2-CG2 3.95Å
40L89.3Confident81.5Confident66 Ų6670.8 Ų70.835%0.34639%0.393SS..Hα-helixtrans-72.7-32.5-179.5-68.2175000112.8I36 V37 G42 V57 F62 L64 L81I36-L40 HydrophobicContact CG2-CD1 3.82Å; I36-L40 HydrophobicContact CG2-CG 4.31Å; I36-L40 WeakPolarHBondContact O-CG 3.29Å; I36-L40 PolarHBondContact O-N 2.94Å; V37-L40 PolarHBondContact O-N 3.02Å; L40-G42 PolarHBondContact O-N 3.41Å; L40-V57 HydrophobicContact CD2-CG1 4.46Å; L40-F62 HydrophobicContact CD1-CB 4.03Å; L40-L64 HydrophobicContact CB-CD1 3.68Å; L40-L64 HydrophobicContact CB-CG 3.97Å; L40-L64 HydrophobicContact CD1-CG 4.01Å; L40-L81 HydrophobicContact CD1-CD2 3.65Å
41N87.5Confident81.1Confident81 Ų8169.3 Ų69.343%0.43340%0.401SS..THydrogen-bonded Turntrans-770.6171.2-72.2-41.5000113.7V37 S43 L64 Q79V37-N41 VanDerWaalsContact CG1-ND2 3.32Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.41Å; V37-N41 WeakPolarHBondContact O-CB 3.29Å; V37-N41 PolarHBondContact O-N 2.89Å; V37-N41 PolarHBondContact O-ND2 2.87Å; V37-N41 VanDerWaalsContact O-ND2 3.15Å; N41-S43 PolarHBondContact O-N 3.45Å; N41-L64 VanDerWaalsContact OD1-CD1 3.25Å; N41-L64 WeakPolarHBondContact OD1-CD1 3.49Å; N41-Q79 PolarHBondContact ND2-OE1 3.33Å
42G81.3Confident80.9Confident66 Ų6671.7 Ų71.768%0.6841%0.411SS*.THydrogen-bonded Turntrans71.68.1-178.600000115.3Q38 L39 L40Q38-G42 PolarHBondContact O-N 3.31Å; L39-G42 PolarHBondContact O-N 2.91Å; L40-G42 PolarHBondContact O-N 3.41Å
43S74.5Confident80.8Confident81 Ų8171.4 Ų71.457%0.56641%0.41SS*.  trans-89.6-12.8-177.568.40000114.5Q38 N41 S45Q38-S43 WeakPolarHBondContact CA-OG 3.48Å; Q38-S43 PolarHBondContact O-N 3.43Å; Q38-S43 PolarHBondContact O-OG 3.13Å; N41-S43 PolarHBondContact O-N 3.45Å; S43-S45 PolarHBondContact O-N 3.02Å
44E71.8Confident80.6Confident19 Ų1972 Ų729%0.08941%0.414CS..SBendtrans-71.1117.1173.5-169-168.1-146.700111R35 Q38 L39 S46 N50 K54R35-E44 IonicContact CZ-OE1 3.4Å; R35-E44 IonicContact NE-OE1 3.61Å; R35-E44 PolarHBondContact NE-OE1 2.9Å; R35-E44 IonicContact NH2-OE1 2.67Å; R35-E44 PolarHBondContact NH2-OE1 3.19Å; Q38-E44 HydrophobicContact CB-CB 4.36Å; Q38-E44 PolarHBondContact O-N 3.11Å; Q38-E44 VanDerWaalsContact O-N 3.1Å; L39-E44 HydrophobicContact CB-CB 4.26Å; E44-S46 PolarHBondContact O-N 3.45Å; E44-N50 PolarHBondContact OE1-ND2 3.03Å; E44-K54 WeakPolarHBondContact OE2-CE 3.23Å; E44-K54 IonicContact OE2-NZ 3.77Å
45S58.8Low80.6Confident92 Ų9274.8 Ų74.864%0.64343%0.425SS*.  trans-53.6137.4176.760.70000112S43 S47 N50S43-S45 PolarHBondContact O-N 3.02Å; S45-S47 PolarHBondContact O-N 3.07Å; S45-N50 PolarHBondContact O-ND2 3.35Å
46S58.3Low80.6Confident106 Ų10673.5 Ų73.574%0.74142%0.42SS*.  trans-84.658.9-173.2-750000113.2E44 K54E44-S46 PolarHBondContact O-N 3.45Å; S46-K54 PolarHBondContact OG-NZ 3.02Å; S46-K54 VanDerWaalsContact OG-NZ 3.12Å
47S65.5Low80.6Confident49 Ų4973.7 Ų73.734%0.34342%0.421SS..  trans-63.4141.8160.7173.70000110.9S45 D49 N50S45-S47 PolarHBondContact O-N 3.07Å; S47-D49 VanDerWaalsContact C-N 3.35Å; S47-D49 PolarHBondContact OG-N 2.78Å; S47-N50 WeakPolarHBondContact O-CB 3.21Å; S47-N50 PolarHBondContact O-N 3.18Å
48T60.6Low80.5Confident125 Ų12581.5 Ų81.577%0.76745%0.453SS*.G310 helixtrans-66.2-32.2178.1420000112.9N50 A51T48-N50 PolarHBondContact O-N 3.23Å; T48-N50 VanDerWaalsContact O-N 3.1Å; T48-A51 WeakPolarHBondContact O-CB 3.45Å; T48-A51 PolarHBondContact O-N 3.12Å; T48-A51 VanDerWaalsContact O-N 3.14Å
49D66.7Low80.6Confident140 Ų14080.8 Ų80.875%0.74946%0.459SS*.G310 helixtrans-58.7-26.3178.4-67.2-52.3000113S47 A51S47-D49 VanDerWaalsContact C-N 3.35Å; S47-D49 PolarHBondContact OG-N 2.78Å; D49-A51 PolarHBondContact O-N 3.36Å
50N80.1Confident80.7Confident23 Ų2383.7 Ų83.712%0.12347%0.47CS..G310 helixtrans-74.7-7.5-176.4-60.5-17000112.8R35 E44 S45 S47 T48 K52 F53 K54R35-N50 PolarHBondContact NH2-ND2 3.08Å; R35-N50 PolarHBondContact NH2-OD1 3.25Å; E44-N50 PolarHBondContact OE1-ND2 3.03Å; S45-N50 PolarHBondContact O-ND2 3.35Å; S47-N50 WeakPolarHBondContact O-CB 3.21Å; S47-N50 PolarHBondContact O-N 3.18Å; T48-N50 PolarHBondContact O-N 3.23Å; T48-N50 VanDerWaalsContact O-N 3.1Å; N50-K52 VanDerWaalsContact C-N 3.31Å; N50-K52 PolarHBondContact O-N 3.01Å; N50-K52 VanDerWaalsContact O-N 3.15Å; N50-F53 WeakPolarHBondContact O-CA 3.41Å; N50-F53 WeakPolarHBondContact O-CB 3.49Å; N50-F53 PolarHBondContact O-N 2.93Å; N50-K54 HydrophobicContact CB-CD 4.45Å; N50-K54 HydrophobicContact CB-CG 4.27Å; N50-K54 WeakPolarHBondContact O-CG 3.35Å; N50-K54 PolarHBondContact O-N 3.41Å
51A84.9Confident80.9Confident63 Ų6381.9 Ų81.952%0.52147%0.467SS..Hα-helixtrans-52.2-41.2-173.500000114.4T48 D49 F55T48-A51 WeakPolarHBondContact O-CB 3.45Å; T48-A51 PolarHBondContact O-N 3.12Å; T48-A51 VanDerWaalsContact O-N 3.14Å; D49-A51 PolarHBondContact O-N 3.36Å; A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.26Å; A51-F55 PolarHBondContact O-N 2.96Å
52K87.7Confident81.1Confident186 Ų18678.4 Ų78.481%0.80945%0.448SS*.Hα-helixtrans-68.1-35.1177.6-71.1170.4-176.4158.90112.6N50 W56N50-K52 VanDerWaalsContact C-N 3.31Å; N50-K52 PolarHBondContact O-N 3.01Å; N50-K52 VanDerWaalsContact O-N 3.15Å; K52-W56 WeakPolarHBondContact O-CB 3.43Å; K52-W56 PolarHBondContact O-N 3.33Å; K52-W56 VanDerWaalsContact O-N 3.08Å
53F88.8Confident81.6Confident36 Ų3679.6 Ų79.616%0.15844%0.435CS..Hα-helixtrans-71.9-50.1175.2177.8-105000110.6K32 R35 I36 L39 N50 F55 W56 V57K32-F53 HydrophobicContact CG-CE2 4.14Å; R35-F53 HydrophobicContact CB-CE1 4.41Å; R35-F53 HydrophobicContact CB-CZ 4.06Å; R35-F53 HydrophobicContact CG-CE1 3.68Å; R35-F53 HydrophobicContact CG-CZ 3.78Å; I36-F53 HydrophobicContact CG1-CE2 4.29Å; I36-F53 HydrophobicContact CG1-CZ 3.81Å; L39-F53 HydrophobicContact CD2-CD1 4.28Å; L39-F53 HydrophobicContact CD2-CE1 4.08Å; N50-F53 WeakPolarHBondContact O-CA 3.41Å; N50-F53 WeakPolarHBondContact O-CB 3.49Å; N50-F53 PolarHBondContact O-N 2.93Å; F53-F55 VanDerWaalsContact C-N 3.29Å; F53-F55 PolarHBondContact O-N 3.27Å; F53-W56 HydrophobicContact CD2-CE3 4.14Å; F53-W56 HydrophobicContact CD2-CZ3 4.46Å; F53-W56 HydrophobicContact CE2-CE3 4.11Å; F53-W56 HydrophobicContact CE2-CZ3 4Å; F53-W56 PolarHBondContact O-N 2.86Å; F53-V57 HydrophobicContact CD1-CG2 4.37Å; F53-V57 HydrophobicContact CD2-CG2 4.41Å; F53-V57 HydrophobicContact CE1-CG2 4.03Å; F53-V57 HydrophobicContact CE2-CG2 4.09Å; F53-V57 HydrophobicContact CZ-CG2 3.9Å; F53-V57 WeakPolarHBondContact O-CG2 3Å; F53-V57 PolarHBondContact O-N 2.95Å
54K88.8Confident82.4Confident52 Ų5278.3 Ų78.323%0.22642%0.422CS..Hα-helixtrans-56.7-41.4176.2-61.8-166.5-178.4-156.20111.8L39 E44 S46 N50 K58L39-K54 HydrophobicContact CD1-CD 3.82Å; L39-K54 HydrophobicContact CD1-CG 3.86Å; L39-K54 HydrophobicContact CD2-CB 4.32Å; L39-K54 HydrophobicContact CD2-CG 3.94Å; E44-K54 WeakPolarHBondContact OE2-CE 3.23Å; E44-K54 IonicContact OE2-NZ 3.77Å; S46-K54 PolarHBondContact OG-NZ 3.02Å; S46-K54 VanDerWaalsContact OG-NZ 3.12Å; N50-K54 HydrophobicContact CB-CD 4.45Å; N50-K54 HydrophobicContact CB-CG 4.27Å; N50-K54 WeakPolarHBondContact O-CG 3.35Å; N50-K54 PolarHBondContact O-N 3.41Å; K54-K58 WeakPolarHBondContact O-CB 3.37Å; K54-K58 PolarHBondContact O-N 3.29Å
55F91.6Very high82.8Confident150 Ų15078.4 Ų78.466%0.65843%0.428SS*.Hα-helixtrans-63.3-44.8172.6-178.4-91.3000112.6A51 F53 K58 S59A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.26Å; A51-F55 PolarHBondContact O-N 2.96Å; F53-F55 VanDerWaalsContact C-N 3.29Å; F53-F55 PolarHBondContact O-N 3.27Å; F55-K58 PolarHBondContact O-N 2.94Å; F55-S59 WeakPolarHBondContact O-CB 3.27Å; F55-S59 PolarHBondContact O-N 3.04Å
56W91.8Very high83.1Confident63 Ų6382.9 Ų82.924%0.23944%0.439CS..Hα-helixtrans-62.9-42.9177.8172.977.5000112.4V28 K32 I36 K52 F53 S59 K60 F62 F145V28-W56 HydrophobicContact CG2-CH2 4.27Å; K32-W56 HydrophobicContact CD-CH2 4.18Å; K32-W56 HydrophobicContact CD-CZ3 4.32Å; I36-W56 HydrophobicContact CD1-CH2 4.21Å; I36-W56 HydrophobicContact CD1-CZ3 3.95Å; I36-W56 HydrophobicContact CG1-CZ3 4.29Å; K52-W56 WeakPolarHBondContact O-CB 3.43Å; K52-W56 PolarHBondContact O-N 3.33Å; K52-W56 VanDerWaalsContact O-N 3.08Å; F53-W56 HydrophobicContact CD2-CE3 4.14Å; F53-W56 HydrophobicContact CD2-CZ3 4.46Å; F53-W56 HydrophobicContact CE2-CE3 4.11Å; F53-W56 HydrophobicContact CE2-CZ3 4Å; F53-W56 PolarHBondContact O-N 2.86Å; W56-S59 PolarHBondContact O-N 2.66Å; W56-K60 WeakPolarHBondContact O-CB 3.38Å; W56-K60 WeakPolarHBondContact O-CG 3.27Å; W56-K60 PolarHBondContact O-N 2.8Å; W56-F62 HydrophobicContact CE3-CE2 4.27Å; W56-F62 AromaticContact CH2-CE2 3.73Å; W56-F62 HydrophobicContact CH2-CE2 3.73Å; W56-F62 AromaticContact CH2-CZ 3.53Å; W56-F62 HydrophobicContact CH2-CZ 3.53Å; W56-F62 HydrophobicContact CZ2-CE2 4.06Å; W56-F62 AromaticContact CZ2-CZ 3.96Å; W56-F62 HydrophobicContact CZ2-CZ 3.96Å; W56-F62 AromaticContact CZ3-CE2 3.84Å; W56-F62 HydrophobicContact CZ3-CE2 3.84Å; W56-F62 HydrophobicContact CZ3-CZ 4.04Å; W56-F145 HydrophobicContact CZ2-CE1 4.19Å
57V92.4Very high83Confident4 Ų481.3 Ų81.32%0.02443%0.426CS..Hα-helixtrans-62.1-49.8176.6178.10000110.6I36 L39 L40 F53 S59 K60 G61 F62I36-V57 HydrophobicContact CG1-CG2 3.95Å; I36-V57 HydrophobicContact CG2-CG1 4.02Å; L39-V57 HydrophobicContact CD2-CB 3.89Å; L39-V57 HydrophobicContact CD2-CG1 4.01Å; L39-V57 HydrophobicContact CD2-CG2 3.95Å; L40-V57 HydrophobicContact CD2-CG1 4.46Å; F53-V57 HydrophobicContact CD1-CG2 4.37Å; F53-V57 HydrophobicContact CD2-CG2 4.41Å; F53-V57 HydrophobicContact CE1-CG2 4.03Å; F53-V57 HydrophobicContact CE2-CG2 4.09Å; F53-V57 HydrophobicContact CZ-CG2 3.9Å; F53-V57 WeakPolarHBondContact O-CG2 3Å; F53-V57 PolarHBondContact O-N 2.95Å; V57-S59 PolarHBondContact O-N 3.3Å; V57-K60 PolarHBondContact O-N 2.96Å; V57-K60 VanDerWaalsContact O-N 3.13Å; V57-G61 PolarHBondContact O-N 2.77Å; V57-G61 VanDerWaalsContact O-N 3.11Å; V57-F62 HydrophobicContact CB-CD2 4.23Å; V57-F62 HydrophobicContact CG1-CB 3.99Å; V57-F62 HydrophobicContact CG1-CD2 3.81Å; V57-F62 HydrophobicContact CG1-CG 4.26Å; V57-F62 HydrophobicContact CG2-CD2 4.47Å
58K90.6Very high82.1Confident183 Ų18385.7 Ų85.780%0.79645%0.446SS*.Hα-helixtrans-62.4-41.3177-171.6170.1-177172.20112.5K54 F55 K60 G61K54-K58 WeakPolarHBondContact O-CB 3.37Å; K54-K58 PolarHBondContact O-N 3.29Å; F55-K58 PolarHBondContact O-N 2.94Å; K58-K60 PolarHBondContact O-N 3.08Å; K58-G61 PolarHBondContact O-N 2.87Å
59S92.4Very high81.4Confident77 Ų7788.5 Ų88.554%0.53845%0.45SS..Hα-helixtrans-68.2-14.5176.8178.10000113.8F55 W56 V57F55-S59 WeakPolarHBondContact O-CB 3.27Å; F55-S59 PolarHBondContact O-N 3.04Å; W56-S59 PolarHBondContact O-N 2.66Å; V57-S59 PolarHBondContact O-N 3.3Å
60K91.8Very high80.5Confident96 Ų9687.5 Ų87.542%0.41745%0.449SS..Hα-helixtrans-102.1-8.9173.2-72.8-52.4-172.6-172.60114.2W56 V57 K58 F62 V83 F145W56-K60 WeakPolarHBondContact O-CB 3.38Å; W56-K60 WeakPolarHBondContact O-CG 3.27Å; W56-K60 PolarHBondContact O-N 2.8Å; V57-K60 PolarHBondContact O-N 2.96Å; V57-K60 VanDerWaalsContact O-N 3.13Å; K58-K60 PolarHBondContact O-N 3.08Å; K60-F62 VanDerWaalsContact C-N 3.29Å; K60-F62 HydrophobicContact CB-CD2 3.64Å; K60-F62 HydrophobicContact CB-CE2 3.44Å; K60-F62 VanDerWaalsContact CB-CE2 3.44Å; K60-F62 HydrophobicContact CB-CZ 4.34Å; K60-F62 HydrophobicContact CG-CE2 4.06Å; K60-F62 PolarHBondContact O-N 2.97Å; K60-V83 WeakPolarHBondContact O-CG1 3.42Å; K60-F145 HydrophobicContact CG-CZ 4.32Å
61G92.1Very high78.6Confident27 Ų2797.7 Ų97.728%0.27849%0.485SS..THydrogen-bonded Turntrans60.539.4178.800000112.4V57 K58 Q63 P84V57-G61 PolarHBondContact O-N 2.77Å; V57-G61 VanDerWaalsContact O-N 3.11Å; K58-G61 PolarHBondContact O-N 2.87Å; G61-Q63 PolarHBondContact O-N 2.96Å; G61-P84 WeakPolarHBondContact O-CD 3.44Å
62F93.4Very high76.4Confident9 Ų998.9 Ų98.94%0.03950%0.504CS..  trans-59.5134.1172.3-71.3-91.2000109.9V28 I36 L40 W56 V57 K60 Y82 V83 V102 F145V28-F62 HydrophobicContact CG2-CZ 4.5Å; I36-F62 HydrophobicContact CD1-CD1 4.19Å; I36-F62 HydrophobicContact CD1-CE1 3.82Å; I36-F62 HydrophobicContact CD1-CE2 4.31Å; I36-F62 HydrophobicContact CD1-CZ 3.88Å; I36-F62 HydrophobicContact CG2-CB 3.87Å; I36-F62 HydrophobicContact CG2-CD1 4.1Å; I36-F62 HydrophobicContact CG2-CD2 4.48Å; I36-F62 HydrophobicContact CG2-CG 3.93Å; L40-F62 HydrophobicContact CD1-CB 4.03Å; W56-F62 HydrophobicContact CE3-CE2 4.27Å; W56-F62 AromaticContact CH2-CE2 3.73Å; W56-F62 HydrophobicContact CH2-CE2 3.73Å; W56-F62 AromaticContact CH2-CZ 3.53Å; W56-F62 HydrophobicContact CH2-CZ 3.53Å; W56-F62 HydrophobicContact CZ2-CE2 4.06Å; W56-F62 AromaticContact CZ2-CZ 3.96Å; W56-F62 HydrophobicContact CZ2-CZ 3.96Å; W56-F62 AromaticContact CZ3-CE2 3.84Å; W56-F62 HydrophobicContact CZ3-CE2 3.84Å; W56-F62 HydrophobicContact CZ3-CZ 4.04Å; V57-F62 HydrophobicContact CB-CD2 4.23Å; V57-F62 HydrophobicContact CG1-CB 3.99Å; V57-F62 HydrophobicContact CG1-CD2 3.81Å; V57-F62 HydrophobicContact CG1-CG 4.26Å; V57-F62 HydrophobicContact CG2-CD2 4.47Å; K60-F62 VanDerWaalsContact C-N 3.29Å; K60-F62 HydrophobicContact CB-CD2 3.64Å; K60-F62 HydrophobicContact CB-CE2 3.44Å; K60-F62 VanDerWaalsContact CB-CE2 3.44Å; K60-F62 HydrophobicContact CB-CZ 4.34Å; K60-F62 HydrophobicContact CG-CE2 4.06Å; K60-F62 PolarHBondContact O-N 2.97Å; F62-Y82 WeakPolarHBondContact CA-O 3.4Å; F62-V83 HydrophobicContact CB-CG2 4.3Å; F62-V83 HydrophobicContact CD1-CG2 3.45Å; F62-V83 VanDerWaalsContact CD1-CG2 3.45Å; F62-V83 HydrophobicContact CD2-CG2 4.21Å; F62-V83 HydrophobicContact CE1-CG2 3.75Å; F62-V83 HydrophobicContact CE2-CG2 4.49Å; F62-V83 HydrophobicContact CG-CG2 3.7Å; F62-V83 HydrophobicContact CZ-CG2 4.27Å; F62-V102 HydrophobicContact CD1-CG2 3.74Å; F62-V102 HydrophobicContact CE1-CG1 4.18Å; F62-V102 HydrophobicContact CE1-CG2 3.6Å; F62-F145 HydrophobicContact CE1-CD2 4.41Å; F62-F145 AromaticContact CE1-CE2 3.68Å; F62-F145 HydrophobicContact CE1-CE2 3.68Å; F62-F145 HydrophobicContact CE1-CZ 4.07Å; F62-F145 HydrophobicContact CE2-CZ 4.26Å; F62-F145 HydrophobicContact CZ-CE1 4.36Å; F62-F145 AromaticContact CZ-CE2 3.64Å; F62-F145 HydrophobicContact CZ-CE2 3.64Å; F62-F145 AromaticContact CZ-CZ 3.52Å; F62-F145 HydrophobicContact CZ-CZ 3.52Å
63Q91.3Very high73.8Confident90 Ų9093.4 Ų93.442%0.42150%0.501SS..EExtended strand (participates in β ladder)trans-128.1146178.9-70173.4-12.700109.3G61 L81 Y82 L99G61-Q63 PolarHBondContact O-N 2.96Å; Q63-L81 WeakPolarHBondContact O-CA 3.45Å; Q63-Y82 PolarHBondContact N-O 2.9Å; Q63-Y82 PolarHBondContact O-N 3.23Å; Q63-L99 VanDerWaalsContact OE1-CD2 3.27Å
64L90.4Very high71.3Confident55 Ų5596.5 Ų96.529%0.28854%0.542SS..EExtended strand (participates in β ladder)trans-83.6125.1166-66.8164.4000107.7V37 L40 N41 Q79 L81V37-L64 HydrophobicContact CB-CD2 4.41Å; V37-L64 HydrophobicContact CG1-CD2 4.19Å; V37-L64 HydrophobicContact CG2-CD2 4Å; L40-L64 HydrophobicContact CB-CD1 3.68Å; L40-L64 HydrophobicContact CB-CG 3.97Å; L40-L64 HydrophobicContact CD1-CG 4.01Å; N41-L64 VanDerWaalsContact OD1-CD1 3.25Å; N41-L64 WeakPolarHBondContact OD1-CD1 3.49Å; L64-Q79 HydrophobicContact CD2-CB 4.13Å; L64-L81 HydrophobicContact CD2-CD2 3.69Å; L64-L81 HydrophobicContact CG-CD2 4.33Å
65G80.3Confident68.9Low21 Ų2197 Ų9722%0.21656%0.562CS.*PPolyproline II helixtrans-70.9149.9164.200000110.2V80G65-V80 PolarHBondContact N-O 2.8Å
66Q66.1Low66.5Low186 Ų18693.4 Ų93.487%0.86957%0.568SS**PPolyproline II helixtrans-59.5144.4167.4-75-179.3-15.500109.7D68Q66-D68 PolarHBondContact O-N 3.4Å
67P55.2Low64.7Low72 Ų7293.5 Ų93.547%0.46858%0.582SS.*PPolyproline II helixtrans-65.1130.1168.930.4-33.8000108.8E69 A77P67-E69 PolarHBondContact O-N 2.98Å; P67-A77 HydrophobicContact CB-CB 3.75Å
68D47.7Very low63.4Low141 Ų141102.5 Ų102.575%0.75462%0.62SS**  trans-71.6109.7-177.7-157.1-17.3000109.3Q66 V70Q66-D68 PolarHBondContact O-N 3.4Å; D68-V70 PolarHBondContact O-N 3.03Å
69E45.1Very low63Low185 Ų18597.6 Ų97.686%0.86460%0.601SS**  trans-722.3-174-62.1-150.3126.700113.4P67 R71P67-E69 PolarHBondContact O-N 2.98Å; E69-R71 PolarHBondContact O-N 3.26Å
70V47.6Very low62.8Low118 Ų11896.1 Ų96.172%0.71559%0.588SS**SBendtrans-9853.1-173.6-161.20000112.9D68D68-V70 PolarHBondContact O-N 3.03Å
71R41.6Very low62.9Low237 Ų23791.6 Ų91.689%0.89457%0.568SS**SBendtrans-169.9104.2147.6-106.9159.7-164.6-116.51.4111.1E69E69-R71 PolarHBondContact O-N 3.26Å
72G38.2Very low63Low89 Ų8993.4 Ų93.492%0.91857%0.567SS**  trans-64.7140.3178.300000113.3
73G32.6Very low63Low71 Ų7193.5 Ų93.573%0.73257%0.569SS**SBendtrans152117.6179.600000110G75G73-G75 PolarHBondContact O-N 3.41Å
74G37.4Very low62.9Low100 Ų10091.2 Ų91.2100%1.03156%0.562SS**SBendtrans-65.196.8-171.600000113.6
75G36.4Very low62.6Low63 Ų6390.4 Ų90.465%0.64956%0.559SS**SBendtrans-155.1134.4173.100000109.9G73 A77G73-G75 PolarHBondContact O-N 3.41Å; G75-A77 PolarHBondContact O-N 2.79Å
76G42.2Very low62.3Low75 Ų7597 Ų9777%0.77358%0.582SS**  trans-51.3120.9-168.900000113.3K78G76-K78 PolarHBondContact O-N 2.92Å; G76-K78 VanDerWaalsContact O-N 3.08Å
77A53.1Low62Low64 Ų6492.2 Ų92.253%0.52957%0.565SS.*  trans-58.1114-171.800000111.5P67 G75 Q79P67-A77 HydrophobicContact CB-CB 3.75Å; G75-A77 PolarHBondContact O-N 2.79Å; A77-Q79 PolarHBondContact O-N 3.13Å
78K65.6Low61.7Low193 Ų19395 Ų9584%0.83958%0.581SS**  trans-7196.6-176.4-69.6-177.4179.2178.50110.1G76 V80G76-K78 PolarHBondContact O-N 2.92Å; G76-K78 VanDerWaalsContact O-N 3.08Å; K78-V80 WeakPolarHBondContact O-CG2 3.09Å; K78-V80 PolarHBondContact O-N 2.85Å
79Q81.7Confident61.7Low81 Ų8194.4 Ų94.438%0.37958%0.578SS.*PPolyproline II helixtrans-60.1120.2-179.6-58.5-177.317.500110.8Y33 N41 L64 A77Y33-Q79 PolarHBondContact OH-O 2.81Å; N41-Q79 PolarHBondContact ND2-OE1 3.33Å; L64-Q79 HydrophobicContact CD2-CB 4.13Å; A77-Q79 PolarHBondContact O-N 3.13Å
80V89.3Confident61.8Low46 Ų4688.8 Ų88.828%0.27957%0.569SS.*PPolyproline II helixtrans-96.6123.2-176.4-1750000110.1Y33 G65 K78 Y82 R101Y33-V80 VanDerWaalsContact OH-CA 3.29Å; Y33-V80 WeakPolarHBondContact OH-CA 3.43Å; G65-V80 PolarHBondContact N-O 2.8Å; K78-V80 WeakPolarHBondContact O-CG2 3.09Å; K78-V80 PolarHBondContact O-N 2.85Å; V80-Y82 HydrophobicContact CB-CD2 4.49Å; V80-Y82 HydrophobicContact CB-CE2 3.74Å; V80-Y82 HydrophobicContact CG1-CD2 4.15Å; V80-Y82 HydrophobicContact CG1-CE2 3.46Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.46Å; V80-Y82 WeakPolarHBondContact O-CD2 3.46Å; V80-R101 HydrophobicContact CG1-CG 3.99Å
81L93.4Very high61.5Low0 Ų090.7 Ų90.70%058%0.581CS.*EExtended strand (participates in β ladder)trans-83.3137.2173.2-70.7177.1000111.7Y33 I36 V37 L40 Q63 L64 V102Y33-L81 HydrophobicContact CD1-CD1 4.13Å; Y33-L81 HydrophobicContact CD2-CB 4.47Å; Y33-L81 HydrophobicContact CD2-CD1 3.68Å; Y33-L81 HydrophobicContact CD2-CG 4.34Å; Y33-L81 HydrophobicContact CE1-CD1 4.19Å; Y33-L81 HydrophobicContact CE1-CG 4.17Å; Y33-L81 HydrophobicContact CE2-CB 3.79Å; Y33-L81 HydrophobicContact CE2-CD1 3.78Å; Y33-L81 HydrophobicContact CE2-CG 3.92Å; Y33-L81 HydrophobicContact CG-CD1 3.89Å; Y33-L81 PolarHBondContact OH-N 3.16Å; I36-L81 HydrophobicContact CB-CD1 3.75Å; I36-L81 HydrophobicContact CD1-CD1 4.19Å; I36-L81 HydrophobicContact CG2-CD1 3.59Å; I36-L81 HydrophobicContact CG2-CD2 3.86Å; I36-L81 HydrophobicContact CG2-CG 4.42Å; V37-L81 HydrophobicContact CG2-CD1 4.02Å; V37-L81 HydrophobicContact CG2-CD2 4Å; V37-L81 HydrophobicContact CG2-CG 3.9Å; L40-L81 HydrophobicContact CD1-CD2 3.65Å; Q63-L81 WeakPolarHBondContact O-CA 3.45Å; L64-L81 HydrophobicContact CD2-CD2 3.69Å; L64-L81 HydrophobicContact CG-CD2 4.33Å; L81-V102 HydrophobicContact CB-CB 3.94Å; L81-V102 HydrophobicContact CB-CG2 3.7Å; L81-V102 PolarHBondContact O-N 2.96Å
82Y93.9Very high61.9Low65 Ų6583 Ų8326%0.25558%0.575SS.*EExtended strand (participates in β ladder)trans-123.3156.8174-67.2-99.6000110.8F62 Q63 V80 L99 R100 R101F62-Y82 WeakPolarHBondContact CA-O 3.4Å; Q63-Y82 PolarHBondContact N-O 2.9Å; Q63-Y82 PolarHBondContact O-N 3.23Å; V80-Y82 HydrophobicContact CB-CD2 4.49Å; V80-Y82 HydrophobicContact CB-CE2 3.74Å; V80-Y82 HydrophobicContact CG1-CD2 4.15Å; V80-Y82 HydrophobicContact CG1-CE2 3.46Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.46Å; V80-Y82 WeakPolarHBondContact O-CD2 3.46Å; Y82-L99 HydrophobicContact CD1-CB 3.93Å; Y82-L99 HydrophobicContact CG-CB 4.42Å; Y82-R100 WeakPolarHBondContact CA-O 3.44Å; Y82-R101 HydrophobicContact CD1-CG 3.96Å; Y82-R101 HydrophobicContact CE1-CG 3.41Å; Y82-R101 VanDerWaalsContact CE1-CG 3.41Å
83V93.5Very high62.2Low11 Ų1185.5 Ų85.57%0.06757%0.573CS.*EExtended strand (participates in β ladder)trans-135.6136.2169.11550000109.7K60 F62 R100 V102 F145K60-V83 WeakPolarHBondContact O-CG1 3.42Å; F62-V83 HydrophobicContact CB-CG2 4.3Å; F62-V83 HydrophobicContact CD1-CG2 3.45Å; F62-V83 VanDerWaalsContact CD1-CG2 3.45Å; F62-V83 HydrophobicContact CD2-CG2 4.21Å; F62-V83 HydrophobicContact CE1-CG2 3.75Å; F62-V83 HydrophobicContact CE2-CG2 4.49Å; F62-V83 HydrophobicContact CG-CG2 3.7Å; F62-V83 HydrophobicContact CZ-CG2 4.27Å; V83-R100 PolarHBondContact N-O 3.34Å; V83-R100 PolarHBondContact O-N 3.49Å; V83-V102 HydrophobicContact CG2-CG2 4.28Å; V83-F145 HydrophobicContact CB-CE2 4.28Å; V83-F145 HydrophobicContact CG1-CE2 4.44Å; V83-F145 HydrophobicContact CG2-CE2 3.91Å; V83-F145 HydrophobicContact CG2-CZ 4.46Å
84P90.4Very high62.6Low42 Ų4288.5 Ų88.527%0.27357%0.572SS.*EExtended strand (participates in β ladder)trans-70.4131.8175.628.9-34.5000111.1G61 L97 L99G61-P84 WeakPolarHBondContact O-CD 3.44Å; P84-L97 HydrophobicContact CB-CB 4.21Å; P84-L97 HydrophobicContact CB-CD1 4.37Å; P84-L99 HydrophobicContact CB-CD2 4.01Å
85V83.5Confident63.2Low38 Ų3891.2 Ų91.223%0.2356%0.558CS.*EExtended strand (participates in β ladder)trans-116122.9172.7-176.60000108.9T87 S98 R100V85-T87 PolarHBondContact O-N 3.31Å; V85-S98 PolarHBondContact N-O 2.86Å; V85-S98 PolarHBondContact O-OG 3.44Å; V85-R100 HydrophobicContact CB-CG 4.35Å; V85-R100 HydrophobicContact CG2-CB 4.23Å; V85-R100 HydrophobicContact CG2-CG 3.86Å
86K73.9Confident64Low161 Ų16196.6 Ų96.670%0.756%0.563SS**  trans-72112.6167.6-65.3-163.3171.7-122.20108.5E95K86-E95 IonicContact NZ-OE1 3.29Å
87T58.9Low64.8Low84 Ų8497.2 Ų97.252%0.51555%0.548SS..  trans-66.8147.5158.536.40000108.8V85V85-T87 PolarHBondContact O-N 3.31Å
88T49.5Very low66Low132 Ų13295.9 Ų95.981%0.8154%0.535SS*.  trans-93.5-3-176.539.50000113.3
89D48.8Very low67.1Low127 Ų12790.5 Ų90.568%0.67952%0.515SS*.  trans-98.3113.1-160.5-39.3-41.7000106.6
90G46.1Very low67.6Low67 Ų6789 Ų8969%0.69151%0.506SS*.  trans-93.6-165.8-160.800000115.7
91V42.6Very low67.8Low159 Ų15991.6 Ų91.696%0.96451%0.511SS*.SBendtrans70.6119.1-168.5-167.40000111.8
92G49.4Very low67.9Low75 Ų7592 Ų9277%0.77351%0.513SS*.  trans-95.4125-157.400000115.8
93V43.3Very low68Low142 Ų14289 Ų8986%0.86150%0.501SS*.SBendtrans-137.4117.1146.5-1780000107.1
94D42.4Very low68.1Low134 Ų13488.7 Ų88.772%0.71750%0.5SS*.  trans55.3113.3178.3-155.8-48.9000116.3K96D94-K96 PolarHBondContact O-N 2.91Å; D94-K96 PolarHBondContact OD1-N 2.86Å
95E48.9Very low68.3Low156 Ų15686.7 Ų86.773%0.72949%0.487SS*.  trans-76.549178-157-171.4162.100112.4K86 L97K86-E95 IonicContact NZ-OE1 3.29Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 3.48Å
96K53.6Low68.8Low177 Ų17786.3 Ų86.377%0.7748%0.482SS*.  trans-69.979.9-178.7-169.4166.9-178.4-70.50111.6D94 S98D94-K96 PolarHBondContact O-N 2.91Å; D94-K96 PolarHBondContact OD1-N 2.86Å; K96-S98 PolarHBondContact O-N 3.22Å; K96-S98 VanDerWaalsContact O-N 3.13Å
97L59Low69.8Low88 Ų8880.9 Ų80.946%0.46146%0.461SS..  trans-35.7114.2178.4-65.9175.3000112.3P84 E95 L99P84-L97 HydrophobicContact CB-CB 4.21Å; P84-L97 HydrophobicContact CB-CD1 4.37Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 3.48Å; L97-L99 PolarHBondContact O-N 3.1Å
98S77.6Confident71.6Confident35 Ų3576.9 Ų76.925%0.24544%0.436CS..EExtended strand (participates in β ladder)trans-69.3100.3-176.5760000110.7V85 K96 R100V85-S98 PolarHBondContact N-O 2.86Å; V85-S98 PolarHBondContact O-OG 3.44Å; K96-S98 PolarHBondContact O-N 3.22Å; K96-S98 VanDerWaalsContact O-N 3.13Å; S98-R100 PolarHBondContact O-N 2.86Å
99L89.3Confident73.7Confident80 Ų8070.9 Ų70.942%0.41940%0.399SS..EExtended strand (participates in β ladder)trans-77.8112.7178.5-69-179.5000109.9Q63 Y82 P84 L97Q63-L99 VanDerWaalsContact OE1-CD2 3.27Å; Y82-L99 HydrophobicContact CD1-CB 3.93Å; Y82-L99 HydrophobicContact CG-CB 4.42Å; P84-L99 HydrophobicContact CB-CD2 4.01Å; L97-L99 PolarHBondContact O-N 3.1Å
100R92.5Very high75.8Confident49 Ų4968.7 Ų68.719%0.18539%0.387CS..EExtended strand (participates in β ladder)trans-102.3140.5176.3-56.3-167.6-168.1167.36.3110.5Y82 V83 V85 S98 S140 E141 A144Y82-R100 WeakPolarHBondContact CA-O 3.44Å; V83-R100 PolarHBondContact N-O 3.34Å; V83-R100 PolarHBondContact O-N 3.49Å; V85-R100 HydrophobicContact CB-CG 4.35Å; V85-R100 HydrophobicContact CG2-CB 4.23Å; V85-R100 HydrophobicContact CG2-CG 3.86Å; S98-R100 PolarHBondContact O-N 2.86Å; R100-S140 WeakPolarHBondContact CD-O 3.28Å; R100-S140 PolarHBondContact NH1-O 3.49Å; R100-E141 WeakPolarHBondContact CD-O 3.19Å; R100-E141 WeakPolarHBondContact CG-O 3.34Å; R100-E141 PolarHBondContact NE-O 2.99Å; R100-A144 HydrophobicContact CB-CB 4.18Å
101R94Very high78.1Confident101 Ų10166.1 Ų66.138%0.38136%0.358SS..EExtended strand (participates in β ladder)trans-67.1138.8179.9-75.5172.954.4-149.5-10110.4V80 Y82 A103 S142 Y143 A144V80-R101 HydrophobicContact CG1-CG 3.99Å; Y82-R101 HydrophobicContact CD1-CG 3.96Å; Y82-R101 HydrophobicContact CE1-CG 3.41Å; Y82-R101 VanDerWaalsContact CE1-CG 3.41Å; R101-A103 PolarHBondContact O-N 3.38Å; R101-S142 PolarHBondContact N-O 2.7Å; R101-Y143 HydrophobicContact CB-CD1 3.81Å; R101-Y143 HydrophobicContact CB-CE1 3.98Å; R101-Y143 PolarHBondContact NH1-OH 3.39Å; R101-Y143 VanDerWaalsContact NH1-OH 3.08Å; R101-Y143 PolarHBondContact NH2-OH 3.48Å; R101-Y143 CarbonylContact O-C 3.54Å; R101-Y143 VanDerWaalsContact O-CA 3.27Å; R101-Y143 WeakPolarHBondContact O-CA 3.31Å; R101-A144 PolarHBondContact O-N 2.92Å
102V95.1Very high80.5Confident10 Ų1058.5 Ų58.56%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-73.7116.5175.31780000109.2V28 Y33 F62 L81 V83 F145V28-V102 HydrophobicContact CB-CG1 3.93Å; V28-V102 HydrophobicContact CG1-CG1 4.12Å; V28-V102 HydrophobicContact CG2-CG1 3.74Å; Y33-V102 HydrophobicContact CD2-CG1 4.29Å; Y33-V102 HydrophobicContact CE2-CB 4.35Å; Y33-V102 HydrophobicContact CE2-CG1 4.49Å; F62-V102 HydrophobicContact CD1-CG2 3.74Å; F62-V102 HydrophobicContact CE1-CG1 4.18Å; F62-V102 HydrophobicContact CE1-CG2 3.6Å; L81-V102 HydrophobicContact CB-CB 3.94Å; L81-V102 HydrophobicContact CB-CG2 3.7Å; L81-V102 PolarHBondContact O-N 2.96Å; V83-V102 HydrophobicContact CG2-CG2 4.28Å; V102-F145 HydrophobicContact CG1-CD2 4.06Å; V102-F145 HydrophobicContact CG2-CD2 4.3Å; V102-F145 HydrophobicContact CG2-CE2 4.35Å
103A95.5Very high82.5Confident0 Ų057.6 Ų57.60%029%0.285CS..PPolyproline II helixtrans-75.9132171.600000110.6R101 F108 I111 Y143 A144 L146R101-A103 PolarHBondContact O-N 3.38Å; A103-F108 HydrophobicContact CB-CD1 4.13Å; A103-F108 HydrophobicContact CB-CE1 3.77Å; A103-I111 HydrophobicContact CB-CD1 3.84Å; A103-Y143 HydrophobicContact CB-CD1 4.14Å; A103-A144 WeakPolarHBondContact CB-O 3.14Å; A103-A144 PolarHBondContact N-O 2.98Å; A103-L146 HydrophobicContact CB-CB 3.79Å; A103-L146 HydrophobicContact CB-CD1 4.04Å; A103-L146 HydrophobicContact CB-CG 4.23Å
104V95.4Very high84.7Confident5 Ų554 Ų543%0.0327%0.267CS..BIsolated β-bridgetrans-94.1136.5175.8173.30000109.1V28 R30 Y33 E106 D107 F108V28-V104 CarbonylContact O-C 3.58Å; V28-V104 VanDerWaalsContact O-CA 3.27Å; V28-V104 WeakPolarHBondContact O-CA 3.29Å; R30-V104 HydrophobicContact CB-CG1 4.09Å; Y33-V104 HydrophobicContact CD2-CG2 3.24Å; Y33-V104 HydrophobicContact CE2-CG2 3.77Å; Y33-V104 HydrophobicContact CG-CG2 3.83Å; V104-E106 VanDerWaalsContact C-N 3.25Å; V104-E106 HydrophobicContact CG1-CB 4.16Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.42Å; V104-E106 PolarHBondContact O-N 3.4Å; V104-D107 HydrophobicContact CB-CB 4.17Å; V104-D107 WeakPolarHBondContact CB-OD2 3.15Å; V104-D107 CarbonylContact O-C 3.56Å; V104-D107 WeakPolarHBondContact O-CA 3.44Å; V104-D107 PolarHBondContact O-N 3.33Å; V104-F108 WeakPolarHBondContact O-CD1 3.46Å; V104-F108 WeakPolarHBondContact O-CE1 3.37Å; V104-F108 PolarHBondContact O-N 2.57Å
105V95.4Very high86.9Confident0 Ų050.1 Ų50.10%025%0.245CC..G310 helixtrans-54.1-43.9-177172.20000111.7C15 T27 V28 T29 D107 F108C15-V105 HydrophobicContact CB-CG1 4.25Å; T27-V105 HydrophobicContact CG2-CG2 4.27Å; V28-V105 PolarHBondContact O-N 3.48Å; T29-V105 HydrophobicContact CG2-CB 4.35Å; T29-V105 HydrophobicContact CG2-CG2 4.26Å; V105-D107 PolarHBondContact O-N 3.38Å; V105-F108 HydrophobicContact CB-CE2 4.28Å; V105-F108 HydrophobicContact CB-CZ 4.33Å; V105-F108 HydrophobicContact CG1-CD2 4.5Å; V105-F108 HydrophobicContact CG1-CE2 4.4Å; V105-F108 HydrophobicContact CG2-CE1 4.46Å; V105-F108 HydrophobicContact CG2-CE2 3.94Å; V105-F108 HydrophobicContact CG2-CZ 3.8Å; V105-F108 WeakPolarHBondContact O-CB 3.35Å; V105-F108 WeakPolarHBondContact O-CG 3.1Å; V105-F108 PolarHBondContact O-N 2.84Å
106E94.6Very high88.8Confident30 Ų3042.7 Ų42.714%0.1421%0.21CC..G310 helixtrans-67.7-19179.1-62.490.3145.100113.4Q12 L16 T29 R30 V104Q12-E106 PolarHBondContact NE2-O 3.42Å; L16-E106 HydrophobicContact CD2-CG 4.08Å; T29-E106 VanDerWaalsContact CA-OE2 3.23Å; T29-E106 WeakPolarHBondContact CA-OE2 3.35Å; R30-E106 HydrophobicContact CB-CG 4.48Å; R30-E106 WeakPolarHBondContact CB-OE1 3.33Å; R30-E106 PolarHBondContact N-OE1 2.75Å; R30-E106 PolarHBondContact N-OE2 3.16Å; V104-E106 VanDerWaalsContact C-N 3.25Å; V104-E106 HydrophobicContact CG1-CB 4.16Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.42Å; V104-E106 PolarHBondContact O-N 3.4Å
107D94.9Very high90.2Very high47 Ų4735 Ų3525%0.25118%0.178SC..G310 helixtrans-1044.2178.8-57.2-36000111.5R30 V104 V105 F109 D110 I111R30-D107 IonicContact CZ-OD1 3.73Å; R30-D107 IonicContact CZ-OD2 2.72Å; R30-D107 IonicContact NH1-OD1 3.44Å; R30-D107 PolarHBondContact NH1-OD1 3.47Å; R30-D107 IonicContact NH1-OD2 2.8Å; R30-D107 PolarHBondContact NH1-OD2 2.69Å; R30-D107 IonicContact NH2-OD1 2.7Å; R30-D107 PolarHBondContact NH2-OD1 3.05Å; R30-D107 IonicContact NH2-OD2 2.74Å; V104-D107 HydrophobicContact CB-CB 4.17Å; V104-D107 WeakPolarHBondContact CB-OD2 3.15Å; V104-D107 CarbonylContact O-C 3.56Å; V104-D107 WeakPolarHBondContact O-CA 3.44Å; V104-D107 PolarHBondContact O-N 3.33Å; V105-D107 PolarHBondContact O-N 3.38Å; D107-F109 VanDerWaalsContact C-N 3.34Å; D107-F109 PolarHBondContact O-N 3.2Å; D107-D110 PolarHBondContact O-N 3.37Å; D107-I111 HydrophobicContact CB-CD1 4.04Å; D107-I111 WeakPolarHBondContact O-CB 3.49Å; D107-I111 WeakPolarHBondContact O-CD1 3.3Å; D107-I111 WeakPolarHBondContact O-CG1 3.24Å; D107-I111 PolarHBondContact O-N 2.68Å
108F95.8Very high90.7Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-60.6-38.2-176.1-78.6-3.4000113.1F11 Y19 T27 A103 V104 V105 I112 L146 P147 A150F11-F108 HydrophobicContact CE1-CB 4.16Å; Y19-F108 HydrophobicContact CD2-CE2 4.05Å; T27-F108 HydrophobicContact CG2-CE2 4.4Å; T27-F108 HydrophobicContact CG2-CZ 4.1Å; A103-F108 HydrophobicContact CB-CD1 4.13Å; A103-F108 HydrophobicContact CB-CE1 3.77Å; V104-F108 WeakPolarHBondContact O-CD1 3.46Å; V104-F108 WeakPolarHBondContact O-CE1 3.37Å; V104-F108 PolarHBondContact O-N 2.57Å; V105-F108 HydrophobicContact CB-CE2 4.28Å; V105-F108 HydrophobicContact CB-CZ 4.33Å; V105-F108 HydrophobicContact CG1-CD2 4.5Å; V105-F108 HydrophobicContact CG1-CE2 4.4Å; V105-F108 HydrophobicContact CG2-CE1 4.46Å; V105-F108 HydrophobicContact CG2-CE2 3.94Å; V105-F108 HydrophobicContact CG2-CZ 3.8Å; V105-F108 WeakPolarHBondContact O-CB 3.35Å; V105-F108 WeakPolarHBondContact O-CG 3.1Å; V105-F108 PolarHBondContact O-N 2.84Å; F108-I112 VanDerWaalsContact O-CD1 3.3Å; F108-I112 WeakPolarHBondContact O-CD1 3.46Å; F108-I112 WeakPolarHBondContact O-CG1 3.46Å; F108-I112 PolarHBondContact O-N 3.18Å; F108-L146 HydrophobicContact CD1-CD1 4.04Å; F108-L146 HydrophobicContact CD1-CG 3.82Å; F108-L146 HydrophobicContact CE1-CB 4.24Å; F108-L146 HydrophobicContact CE1-CD1 4.47Å; F108-L146 HydrophobicContact CE1-CG 3.89Å; F108-L146 HydrophobicContact CG-CG 4.26Å; F108-L146 HydrophobicContact CZ-CG 4.37Å; F108-P147 VanDerWaalsContact CE2-CD 3.41Å; F108-P147 HydrophobicContact CE2-CG 4.19Å; F108-P147 VanDerWaalsContact CZ-CD 3.43Å; F108-P147 HydrophobicContact CZ-CG 4.41Å; F108-A150 HydrophobicContact CD2-CB 4.27Å
109F94.4Very high89.9Confident7 Ų736.5 Ų36.53%0.03119%0.185CC..Hα-helixtrans-61.2-53.4178.1-175.3-84.7000110.6M7 Y8 F11 D107 I111 I112 Y113 F154M7-F109 HydrophobicContact CB-CE2 4.3Å; M7-F109 HydrophobicContact CG-CE2 4Å; M7-F109 HydrophobicContact SD-CE2 3.86Å; M7-F109 HydrophobicContact SD-CZ 4.17Å; Y8-F109 VanDerWaalsContact CA-CE2 3.47Å; Y8-F109 HydrophobicContact CD2-CB 3.87Å; Y8-F109 AromaticContact CD2-CD1 3.56Å; Y8-F109 HydrophobicContact CD2-CD1 3.56Å; Y8-F109 HydrophobicContact CD2-CD2 4.19Å; Y8-F109 HydrophobicContact CD2-CE1 4.08Å; Y8-F109 AromaticContact CD2-CG 3.6Å; Y8-F109 HydrophobicContact CD2-CG 3.6Å; Y8-F109 HydrophobicContact CE2-CB 4.1Å; Y8-F109 HydrophobicContact CE2-CD1 4.34Å; Y8-F109 HydrophobicContact CE2-CG 4.32Å; Y8-F109 HydrophobicContact CG-CD1 4.48Å; Y8-F109 HydrophobicContact CG-CG 4.43Å; F11-F109 HydrophobicContact CB-CD2 4.14Å; F11-F109 HydrophobicContact CD1-CB 3.96Å; F11-F109 AromaticContact CD1-CD2 3.84Å; F11-F109 HydrophobicContact CD1-CD2 3.84Å; F11-F109 HydrophobicContact CD1-CG 4.41Å; F11-F109 HydrophobicContact CE1-CB 4.25Å; F11-F109 HydrophobicContact CG-CD2 4.18Å; D107-F109 VanDerWaalsContact C-N 3.34Å; D107-F109 PolarHBondContact O-N 3.2Å; F109-I111 VanDerWaalsContact C-N 3.32Å; F109-I111 PolarHBondContact O-N 2.85Å; F109-I112 PolarHBondContact O-N 2.86Å; F109-I112 VanDerWaalsContact O-N 3.16Å; F109-Y113 AromaticContact CE1-CD2 3.76Å; F109-Y113 HydrophobicContact CE1-CD2 3.76Å; F109-Y113 HydrophobicContact CE1-CE2 4.5Å; F109-Y113 HydrophobicContact CE1-CG 4.19Å; F109-Y113 HydrophobicContact CZ-CD2 4.01Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.37Å; F109-Y113 PolarHBondContact O-N 2.89Å; F109-F154 AromaticContact CD2-CD2 3.91Å; F109-F154 HydrophobicContact CD2-CD2 3.91Å; F109-F154 AromaticContact CD2-CE2 3.72Å; F109-F154 HydrophobicContact CD2-CE2 3.72Å; F109-F154 HydrophobicContact CE1-CE2 4.37Å; F109-F154 HydrophobicContact CE2-CD2 4.04Å; F109-F154 AromaticContact CE2-CE2 3.56Å; F109-F154 HydrophobicContact CE2-CE2 3.56Å; F109-F154 HydrophobicContact CG-CE2 4.22Å; F109-F154 AromaticContact CZ-CE2 3.93Å; F109-F154 HydrophobicContact CZ-CE2 3.93Å
110D93.1Very high88.2Confident80 Ų8033.3 Ų33.343%0.42817%0.171SC..Hα-helixtrans-65.9-36.5-175.2-51-52.9000111.6D107 S114D107-D110 PolarHBondContact O-N 3.37Å; D110-S114 VanDerWaalsContact O-CB 3.26Å; D110-S114 WeakPolarHBondContact O-CB 3.32Å; D110-S114 PolarHBondContact O-N 3.36Å; D110-S114 PolarHBondContact O-OG 2.88Å
111I93.8Very high86.2Confident13 Ų1337.3 Ų37.37%0.06720%0.204CC..Hα-helixtrans-63-45.1173-70.6167.5000111.7A103 D107 F109 S114 M115 Y143 L146A103-I111 HydrophobicContact CB-CD1 3.84Å; D107-I111 HydrophobicContact CB-CD1 4.04Å; D107-I111 WeakPolarHBondContact O-CB 3.49Å; D107-I111 WeakPolarHBondContact O-CD1 3.3Å; D107-I111 WeakPolarHBondContact O-CG1 3.24Å; D107-I111 PolarHBondContact O-N 2.68Å; F109-I111 VanDerWaalsContact C-N 3.32Å; F109-I111 PolarHBondContact O-N 2.85Å; I111-S114 PolarHBondContact O-OG 3.03Å; I111-M115 WeakPolarHBondContact O-CB 3.25Å; I111-M115 WeakPolarHBondContact O-CG 3.08Å; I111-M115 PolarHBondContact O-N 2.8Å; I111-Y143 HydrophobicContact CB-CE2 4.5Å; I111-Y143 HydrophobicContact CD1-CD1 4.26Å; I111-Y143 HydrophobicContact CD1-CE1 3.89Å; I111-Y143 HydrophobicContact CG1-CE1 4.02Å; I111-Y143 HydrophobicContact CG2-CD1 4.33Å; I111-Y143 HydrophobicContact CG2-CD2 3.64Å; I111-Y143 HydrophobicContact CG2-CE1 4.15Å; I111-Y143 HydrophobicContact CG2-CE2 3.44Å; I111-Y143 VanDerWaalsContact CG2-CE2 3.44Å; I111-Y143 HydrophobicContact CG2-CG 4.09Å; I111-L146 HydrophobicContact CB-CD1 4.22Å; I111-L146 HydrophobicContact CG2-CD1 3.47Å; I111-L146 VanDerWaalsContact CG2-CD1 3.47Å
112I93.5Very high84.1Confident0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-72.6-45.1180-59.3158.9000109.9F11 F108 F109 S114 M115 H116 T135 I139 L146 V151 F154F11-I112 HydrophobicContact CE1-CD1 4.18Å; F11-I112 HydrophobicContact CZ-CD1 3.65Å; F108-I112 VanDerWaalsContact O-CD1 3.3Å; F108-I112 WeakPolarHBondContact O-CD1 3.46Å; F108-I112 WeakPolarHBondContact O-CG1 3.46Å; F108-I112 PolarHBondContact O-N 3.18Å; F109-I112 PolarHBondContact O-N 2.86Å; F109-I112 VanDerWaalsContact O-N 3.16Å; I112-S114 PolarHBondContact O-N 2.8Å; I112-M115 CarbonylContact O-C 3.58Å; I112-M115 PolarHBondContact O-N 3.16Å; I112-H116 WeakPolarHBondContact O-CB 3.35Å; I112-H116 PolarHBondContact O-N 3.39Å; I112-T135 HydrophobicContact CG2-CG2 4.31Å; I112-I139 HydrophobicContact CB-CD1 4.19Å; I112-I139 HydrophobicContact CG1-CD1 3.97Å; I112-I139 HydrophobicContact CG2-CD1 3.99Å; I112-L146 HydrophobicContact CD1-CD2 4.34Å; I112-L146 HydrophobicContact CG1-CD1 4.21Å; I112-L146 HydrophobicContact CG1-CD2 4.35Å; I112-V151 HydrophobicContact CD1-CG2 4.38Å; I112-V151 HydrophobicContact CG1-CG2 4.31Å; I112-V151 HydrophobicContact CG2-CG1 4.33Å; I112-F154 HydrophobicContact CB-CD1 4.27Å; I112-F154 HydrophobicContact CB-CD2 4.16Å; I112-F154 HydrophobicContact CB-CE2 4.45Å; I112-F154 HydrophobicContact CB-CG 4.07Å; I112-F154 HydrophobicContact CD1-CB 4.03Å; I112-F154 HydrophobicContact CD1-CG 4.4Å; I112-F154 HydrophobicContact CG2-CB 3.93Å; I112-F154 HydrophobicContact CG2-CD1 3.31Å; I112-F154 HydrophobicContact CG2-CD2 4.06Å; I112-F154 HydrophobicContact CG2-CE1 3.76Å; I112-F154 HydrophobicContact CG2-CE2 4.43Å; I112-F154 HydrophobicContact CG2-CG 3.49Å; I112-F154 VanDerWaalsContact CG2-CG 3.49Å; I112-F154 HydrophobicContact CG2-CZ 4.3Å
113Y90.7Very high82.2Confident55 Ų5541.1 Ų41.122%0.21625%0.245CC..Hα-helixtrans-57.3-51.5180-173-79.7000111.6E4 F109 M115 H116 V117 F154E4-Y113 HydrophobicContact CG-CE2 4.19Å; E4-Y113 WeakPolarHBondContact OE1-CE2 3.41Å; E4-Y113 PolarHBondContact OE1-OH 3.03Å; F109-Y113 AromaticContact CE1-CD2 3.76Å; F109-Y113 HydrophobicContact CE1-CD2 3.76Å; F109-Y113 HydrophobicContact CE1-CE2 4.5Å; F109-Y113 HydrophobicContact CE1-CG 4.19Å; F109-Y113 HydrophobicContact CZ-CD2 4.01Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.37Å; F109-Y113 PolarHBondContact O-N 2.89Å; Y113-M115 VanDerWaalsContact C-N 3.25Å; Y113-M115 PolarHBondContact O-N 3.36Å; Y113-H116 PolarHBondContact O-N 3.01Å; Y113-V117 HydrophobicContact CD1-CB 4.45Å; Y113-V117 HydrophobicContact CD1-CG2 4.36Å; Y113-V117 HydrophobicContact CD2-CG2 4.39Å; Y113-V117 HydrophobicContact CE1-CB 4.2Å; Y113-V117 HydrophobicContact CE1-CG2 4.17Å; Y113-V117 HydrophobicContact CE2-CG2 4.24Å; Y113-V117 HydrophobicContact CG-CG2 4.47Å; Y113-V117 PolarHBondContact O-N 3.06Å; Y113-F154 HydrophobicContact CD2-CE2 4.39Å; Y113-F154 AromaticContact CD2-CZ 3.94Å; Y113-F154 HydrophobicContact CD2-CZ 3.94Å; Y113-F154 HydrophobicContact CG-CZ 4.32Å
114S89.8Confident80.2Confident68 Ų6847.2 Ų47.248%0.47627%0.273SS..Hα-helixtrans-64.2-25.9179.256.40000114.2D110 I111 I112D110-S114 VanDerWaalsContact O-CB 3.26Å; D110-S114 WeakPolarHBondContact O-CB 3.32Å; D110-S114 PolarHBondContact O-N 3.36Å; D110-S114 PolarHBondContact O-OG 2.88Å; I111-S114 PolarHBondContact O-OG 3.03Å; I112-S114 PolarHBondContact O-N 2.8Å
115M88.7Confident78.2Confident52 Ų5253.1 Ų53.126%0.25630%0.3SS..Hα-helixtrans-90.6-6174-70.1-70.6173.100113.6I111 I112 Y113 A138 I139 Y143I111-M115 WeakPolarHBondContact O-CB 3.25Å; I111-M115 WeakPolarHBondContact O-CG 3.08Å; I111-M115 PolarHBondContact O-N 2.8Å; I112-M115 CarbonylContact O-C 3.58Å; I112-M115 PolarHBondContact O-N 3.16Å; Y113-M115 VanDerWaalsContact C-N 3.25Å; Y113-M115 PolarHBondContact O-N 3.36Å; M115-A138 HydrophobicContact SD-CB 3.93Å; M115-I139 HydrophobicContact CB-CD1 4.22Å; M115-I139 HydrophobicContact CB-CG1 3.67Å; M115-I139 HydrophobicContact CG-CG1 3.95Å; M115-Y143 HydrophobicContact CE-CE2 3.93Å; M115-Y143 HydrophobicContact CG-CE2 4.46Å
116H88.1Confident76Confident0 Ų056.9 Ų56.90%032%0.319CS..Hα-helixtrans-110.6-36-176-17862.1000113I112 Y113 H129 A130 T135 F154 L155 C158 C161I112-H116 WeakPolarHBondContact O-CB 3.35Å; I112-H116 PolarHBondContact O-N 3.39Å; Y113-H116 PolarHBondContact O-N 3.01Å; H116-H129 AromaticContact CD2-ND1 3.39Å; H116-H129 PolarHBondContact CD2-ND1 3.41Å; H116-H129 AromaticContact CE1-ND1 3.86Å; H116-H129 AromaticContact NE2-CE1 3.93Å; H116-H129 AromaticContact NE2-CG 3.82Å; H116-H129 AromaticContact NE2-ND1 2.93Å; H116-H129 PolarHBondContact NE2-ND1 3.5Å; H116-H129 CarbonylContact O-C 3.57Å; H116-H129 WeakPolarHBondContact O-CA 3.19Å; H116-A130 PolarHBondContact O-N 2.9Å; H116-T135 HydrophobicContact CB-CG2 3.86Å; H116-T135 PolarHBondContact ND1-OG1 2.91Å; H116-F154 HydrophobicContact CB-CE1 4.12Å; H116-F154 AromaticContact CD2-CE1 3.69Å; H116-F154 AromaticContact CG-CE1 3.99Å; H116-L155 WeakPolarHBondContact CE1-CD2 3.22Å; H116-L155 VanDerWaalsContact ND1-CD2 3.3Å; H116-L155 WeakPolarHBondContact ND1-CD2 3.47Å; H116-C158 PolarHBondContact NE2-SG 3.22Å; H116-C158 VanDerWaalsContact NE2-SG 3.41Å; H116-C161 PolarHBondContact CE1-SG 2.67Å; H116-C161 PolarHBondContact NE2-SG 3.33Å; H116-C161 VanDerWaalsContact NE2-SG 3.38Å
117V83.9Confident74.3Confident15 Ų1565.2 Ų65.29%0.09135%0.35CS..BIsolated β-bridgetrans-104.5103.6177.8-175.30000107.6Y113 T119Y113-V117 HydrophobicContact CD1-CB 4.45Å; Y113-V117 HydrophobicContact CD1-CG2 4.36Å; Y113-V117 HydrophobicContact CD2-CG2 4.39Å; Y113-V117 HydrophobicContact CE1-CB 4.2Å; Y113-V117 HydrophobicContact CE1-CG2 4.17Å; Y113-V117 HydrophobicContact CE2-CG2 4.24Å; Y113-V117 HydrophobicContact CG-CG2 4.47Å; Y113-V117 PolarHBondContact O-N 3.06Å; V117-T119 PolarHBondContact O-N 2.89Å; V117-T119 VanDerWaalsContact O-N 3.13Å
118E68.8Low73Confident61 Ų6170 Ų7029%0.28537%0.368SS..  trans-70.9109.8-176.3-79.5167.2-118.200110.9K128 A130 R134E118-K128 PolarHBondContact N-O 3.4Å; E118-A130 HydrophobicContact CG-CB 4.35Å; E118-A130 WeakPolarHBondContact OE1-CA 3.37Å; E118-A130 WeakPolarHBondContact OE1-CB 3.33Å; E118-R134 VanDerWaalsContact CD-NH2 3.25Å; E118-R134 IonicContact OE1-CZ 3.31Å; E118-R134 IonicContact OE1-NE 3.32Å; E118-R134 IonicContact OE1-NH1 2.75Å; E118-R134 PolarHBondContact OE1-NH1 3.46Å; E118-R134 IonicContact OE1-NH2 3.66Å; E118-R134 PolarHBondContact OE1-NH2 2.69Å; E118-R134 IonicContact OE2-CZ 2.69Å; E118-R134 IonicContact OE2-NH1 2.87Å; E118-R134 PolarHBondContact OE2-NH1 2.95Å; E118-R134 IonicContact OE2-NH2 3.72Å; E118-R134 PolarHBondContact OE2-NH2 2.76Å
119T61Low72.4Confident94 Ų9471.5 Ų71.558%0.57738%0.375SS*.  trans-70129.8170.3-550000109.1V117V117-T119 PolarHBondContact O-N 2.89Å; V117-T119 VanDerWaalsContact O-N 3.13Å
120G54Low71.8Confident12 Ų1272 Ų7212%0.12438%0.38CS..  trans-67.8158.7179.700000112.4N122 G123 E124G120-N122 PolarHBondContact O-N 2.71Å; G120-G123 PolarHBondContact O-N 3.28Å; G120-E124 PolarHBondContact N-O 2.84Å
121P49.4Very low71.2Confident134 Ų13469.4 Ų69.487%0.8737%0.373SS*.THydrogen-bonded Turntrans-60.4-19.8-178.825.3-35000113.8
122N50.4Low70.8Confident136 Ų13674 Ų7473%0.72739%0.394SS*.THydrogen-bonded Turntrans-92.25.9178.4-59.2-4.4000113.3G120 E124G120-N122 PolarHBondContact O-N 2.71Å; N122-E124 PolarHBondContact O-N 3.13Å
123G55.9Low70.5Confident55 Ų5583 Ų8357%0.56743%0.433SS*.SBendtrans79.5-9.8-174.800000115G120G120-G123 PolarHBondContact O-N 3.28Å
124E53.1Low70.4Confident127 Ų12787.2 Ų87.259%0.59345%0.449SS*.  trans-65.6133.4172.6-66.8-173.8116.600111.6G120 N122 I126G120-E124 PolarHBondContact N-O 2.84Å; N122-E124 PolarHBondContact O-N 3.13Å; E124-I126 HydrophobicContact CB-CG1 4.48Å; E124-I126 PolarHBondContact O-N 2.95Å
125Q53.4Low70.5Confident129 Ų12984 Ų8460%0.60343%0.426SS*.  trans-75.870.8172.9-67.9-174.3-2.500111R127Q125-R127 WeakPolarHBondContact O-CG 3.3Å; Q125-R127 PolarHBondContact O-N 3.01Å
126I48.2Very low70.7Confident79 Ų7982.8 Ų82.841%0.40542%0.419SS..  trans-61.2108.3166.3-57.6175.5000106.7E124 K128E124-I126 HydrophobicContact CB-CG1 4.48Å; E124-I126 PolarHBondContact O-N 2.95Å; I126-K128 HydrophobicContact CG2-CB 4.5Å; I126-K128 HydrophobicContact CG2-CD 3.81Å; I126-K128 HydrophobicContact CG2-CG 3.94Å; I126-K128 PolarHBondContact O-N 3.27Å
127R60Low70.9Confident205 Ų20588.8 Ų88.877%0.77445%0.445SS*.  trans-72.650.6-170.8-57.6-174.5-171.2161.65114.1Q125Q125-R127 WeakPolarHBondContact O-CG 3.3Å; Q125-R127 PolarHBondContact O-N 3.01Å
128K67.8Low71.2Confident147 Ų14789.3 Ų89.364%0.63945%0.451SS*.  trans-95.6105.8175.1-73.7175.9-176.7-179.80108.3E118 I126E118-K128 PolarHBondContact N-O 3.4Å; I126-K128 HydrophobicContact CG2-CB 4.5Å; I126-K128 HydrophobicContact CG2-CD 3.81Å; I126-K128 HydrophobicContact CG2-CG 3.94Å; I126-K128 PolarHBondContact O-N 3.27Å
129H82.4Confident72.4Confident33 Ų3386.7 Ų86.715%0.15344%0.439CS..BIsolated β-bridgetrans-73.2127.8174.5-69.4-111.7000109H116 G131 C158 E160H116-H129 AromaticContact CD2-ND1 3.39Å; H116-H129 PolarHBondContact CD2-ND1 3.41Å; H116-H129 AromaticContact CE1-ND1 3.86Å; H116-H129 AromaticContact NE2-CE1 3.93Å; H116-H129 AromaticContact NE2-CG 3.82Å; H116-H129 AromaticContact NE2-ND1 2.93Å; H116-H129 PolarHBondContact NE2-ND1 3.5Å; H116-H129 CarbonylContact O-C 3.57Å; H116-H129 WeakPolarHBondContact O-CA 3.19Å; H129-G131 PolarHBondContact O-N 3.21Å; H129-C158 PolarHBondContact CE1-SG 3.17Å; H129-E160 WeakPolarHBondContact NE2-CB 3.46Å
130A81.4Confident73.8Confident16 Ų1685.1 Ų85.113%0.13243%0.431CS..  trans-58.6-19.6-176.600000113.9H116 E118 R134H116-A130 PolarHBondContact O-N 2.9Å; E118-A130 HydrophobicContact CG-CB 4.35Å; E118-A130 WeakPolarHBondContact OE1-CA 3.37Å; E118-A130 WeakPolarHBondContact OE1-CB 3.33Å; A130-R134 HydrophobicContact CB-CB 4.22Å; A130-R134 HydrophobicContact CB-CG 4.23Å; A130-R134 WeakPolarHBondContact O-CB 3.19Å
131G80.4Confident75.6Confident27 Ų2789.3 Ų89.328%0.27845%0.448SS..  trans80.7157.8-176.300000112.5H129 K133 R134 T135H129-G131 PolarHBondContact O-N 3.21Å; G131-K133 PolarHBondContact O-N 3.42Å; G131-R134 PolarHBondContact O-N 3.4Å; G131-T135 WeakPolarHBondContact O-CB 3.37Å; G131-T135 PolarHBondContact O-N 3.14Å; G131-T135 PolarHBondContact O-OG1 2.79Å
132Q85.3Confident77.5Confident109 Ų10985 Ų8551%0.50942%0.421SS..Hα-helixtrans-55.5-49.8-169.9175.6164.3-22.300113.3R134 T135 Y136 L155Q132-R134 PolarHBondContact O-N 2.85Å; Q132-T135 PolarHBondContact O-N 3.32Å; Q132-Y136 HydrophobicContact CG-CD2 3.77Å; Q132-Y136 HydrophobicContact CG-CE2 3.54Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.35Å; Q132-Y136 PolarHBondContact O-N 2.6Å; Q132-L155 HydrophobicContact CB-CD1 4.13Å; Q132-L155 HydrophobicContact CG-CD1 3.85Å
133K87.1Confident79.6Confident190 Ų19079.5 Ų79.583%0.82639%0.39SS*.Hα-helixtrans-62.3-42.1-177.1-170.7176.3179.7-179.80112.4G131 K137G131-K133 PolarHBondContact O-N 3.42Å; K133-K137 PolarHBondContact O-N 2.73Å; K133-K137 VanDerWaalsContact O-N 3.15Å
134R88.8Confident81.4Confident142 Ų14277.5 Ų77.554%0.53637%0.368SS..Hα-helixtrans-71.5-43.6179.4-167.4171.8174.4-162.5-12.4111.7E118 A130 G131 Q132 Y136 K137 A138E118-R134 VanDerWaalsContact CD-NH2 3.25Å; E118-R134 IonicContact OE1-CZ 3.31Å; E118-R134 IonicContact OE1-NE 3.32Å; E118-R134 IonicContact OE1-NH1 2.75Å; E118-R134 PolarHBondContact OE1-NH1 3.46Å; E118-R134 IonicContact OE1-NH2 3.66Å; E118-R134 PolarHBondContact OE1-NH2 2.69Å; E118-R134 IonicContact OE2-CZ 2.69Å; E118-R134 IonicContact OE2-NH1 2.87Å; E118-R134 PolarHBondContact OE2-NH1 2.95Å; E118-R134 IonicContact OE2-NH2 3.72Å; E118-R134 PolarHBondContact OE2-NH2 2.76Å; A130-R134 HydrophobicContact CB-CB 4.22Å; A130-R134 HydrophobicContact CB-CG 4.23Å; A130-R134 WeakPolarHBondContact O-CB 3.19Å; G131-R134 PolarHBondContact O-N 3.4Å; Q132-R134 PolarHBondContact O-N 2.85Å; R134-Y136 VanDerWaalsContact C-N 3.34Å; R134-Y136 PolarHBondContact O-N 2.98Å; R134-K137 PolarHBondContact O-N 3.47Å; R134-K137 VanDerWaalsContact O-N 3.15Å; R134-A138 WeakPolarHBondContact O-CB 3.23Å; R134-A138 PolarHBondContact O-N 3.03Å
135T91.3Very high83.4Confident0 Ų073.6 Ų73.60%035%0.35CS..Hα-helixtrans-56.3-47.7175.9-49.20000110.8I112 H116 G131 Q132 I139 V151 L155I112-T135 HydrophobicContact CG2-CG2 4.31Å; H116-T135 HydrophobicContact CB-CG2 3.86Å; H116-T135 PolarHBondContact ND1-OG1 2.91Å; G131-T135 WeakPolarHBondContact O-CB 3.37Å; G131-T135 PolarHBondContact O-N 3.14Å; G131-T135 PolarHBondContact O-OG1 2.79Å; Q132-T135 PolarHBondContact O-N 3.32Å; T135-I139 HydrophobicContact CG2-CD1 3.77Å; T135-I139 WeakPolarHBondContact O-CB 3.49Å; T135-I139 WeakPolarHBondContact O-CD1 3.41Å; T135-I139 VanDerWaalsContact O-CG1 3.25Å; T135-I139 WeakPolarHBondContact O-CG1 3.27Å; T135-I139 PolarHBondContact O-N 3.39Å; T135-I139 VanDerWaalsContact O-N 3.15Å; T135-V151 HydrophobicContact CG2-CG1 4.19Å; T135-L155 HydrophobicContact CG2-CD2 4.29Å
136Y93.1Very high85.4Confident27 Ų2768.7 Ų68.711%0.10633%0.327CS..Hα-helixtrans-60.3-46175-83.7-60.2000113.1Q132 R134 S140 R148 V151 T152 L155Q132-Y136 HydrophobicContact CG-CD2 3.77Å; Q132-Y136 HydrophobicContact CG-CE2 3.54Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.35Å; Q132-Y136 PolarHBondContact O-N 2.6Å; R134-Y136 VanDerWaalsContact C-N 3.34Å; R134-Y136 PolarHBondContact O-N 2.98Å; Y136-S140 VanDerWaalsContact O-CB 3.24Å; Y136-S140 WeakPolarHBondContact O-CB 3.45Å; Y136-S140 PolarHBondContact O-N 3.45Å; Y136-S140 PolarHBondContact O-OG 2.97Å; Y136-R148 HydrophobicContact CD1-CG 4.02Å; Y136-R148 HydrophobicContact CE1-CG 3.34Å; Y136-V151 HydrophobicContact CD1-CB 4.15Å; Y136-V151 HydrophobicContact CD1-CG1 3.86Å; Y136-V151 HydrophobicContact CE1-CB 3.57Å; Y136-V151 HydrophobicContact CE1-CG1 3.61Å; Y136-V151 HydrophobicContact CE1-CG2 4.31Å; Y136-T152 WeakPolarHBondContact OH-CA 2.74Å; Y136-T152 PolarHBondContact OH-N 3.15Å; Y136-T152 PolarHBondContact OH-OG1 3.06Å; Y136-L155 HydrophobicContact CE2-CD1 4.05Å
137K92.1Very high87.6Confident127 Ų12766.1 Ų66.155%0.55232%0.316SS*.Hα-helixtrans-61-57.6-178.4-178173.8175.3-179.50110.5K133 R134 I139 S140 E141K133-K137 PolarHBondContact O-N 2.73Å; K133-K137 VanDerWaalsContact O-N 3.15Å; R134-K137 PolarHBondContact O-N 3.47Å; R134-K137 VanDerWaalsContact O-N 3.15Å; K137-I139 PolarHBondContact O-N 3.38Å; K137-S140 PolarHBondContact O-N 3.28Å; K137-S140 PolarHBondContact O-OG 3.41Å; K137-E141 VanDerWaalsContact CE-CD 3.44Å; K137-E141 WeakPolarHBondContact CE-OE1 3.2Å; K137-E141 HydrophobicContact CG-CG 4.42Å; K137-E141 WeakPolarHBondContact CG-OE2 3.3Å; K137-E141 IonicContact NZ-OE1 2.68Å; K137-E141 WeakPolarHBondContact O-CG 3.15Å; K137-E141 PolarHBondContact O-N 3.29Å
138A91Very high89.2Confident25 Ų2564.7 Ų64.721%0.20731%0.31CS..Hα-helixtrans-58.8-41.6-177.200000113.5M115 R134 S142M115-A138 HydrophobicContact SD-CB 3.93Å; R134-A138 WeakPolarHBondContact O-CB 3.23Å; R134-A138 PolarHBondContact O-N 3.03Å; A138-S142 VanDerWaalsContact O-CB 3.3Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 2.8Å
139I93.5Very high90.4Very high7 Ų763 Ų634%0.03631%0.305CS..Hα-helixtrans-64.4-45.4174.2-67.9171.1000110.7I112 M115 T135 K137 E141 S142 Y143 L146 V151I112-I139 HydrophobicContact CB-CD1 4.19Å; I112-I139 HydrophobicContact CG1-CD1 3.97Å; I112-I139 HydrophobicContact CG2-CD1 3.99Å; M115-I139 HydrophobicContact CB-CD1 4.22Å; M115-I139 HydrophobicContact CB-CG1 3.67Å; M115-I139 HydrophobicContact CG-CG1 3.95Å; T135-I139 HydrophobicContact CG2-CD1 3.77Å; T135-I139 WeakPolarHBondContact O-CB 3.49Å; T135-I139 WeakPolarHBondContact O-CD1 3.41Å; T135-I139 VanDerWaalsContact O-CG1 3.25Å; T135-I139 WeakPolarHBondContact O-CG1 3.27Å; T135-I139 PolarHBondContact O-N 3.39Å; T135-I139 VanDerWaalsContact O-N 3.15Å; K137-I139 PolarHBondContact O-N 3.38Å; I139-E141 VanDerWaalsContact C-N 3.3Å; I139-E141 PolarHBondContact O-N 3.33Å; I139-S142 PolarHBondContact O-N 2.99Å; I139-Y143 WeakPolarHBondContact O-CB 3.48Å; I139-Y143 PolarHBondContact O-N 3.47Å; I139-L146 HydrophobicContact CG2-CB 4.44Å; I139-L146 HydrophobicContact CG2-CD1 3.95Å; I139-L146 HydrophobicContact CG2-CD2 4.29Å; I139-L146 HydrophobicContact CG2-CG 4.46Å; I139-V151 HydrophobicContact CD1-CG1 4.01Å; I139-V151 HydrophobicContact CD1-CG2 3.99Å; I139-V151 HydrophobicContact CG2-CG2 4.44Å
140S91.6Very high91Very high60 Ų6061.5 Ų61.542%0.4230%0.298SS..Hα-helixtrans-66-32-177.872.90000113.1R100 Y136 K137R100-S140 WeakPolarHBondContact CD-O 3.28Å; R100-S140 PolarHBondContact NH1-O 3.49Å; Y136-S140 VanDerWaalsContact O-CB 3.24Å; Y136-S140 WeakPolarHBondContact O-CB 3.45Å; Y136-S140 PolarHBondContact O-N 3.45Å; Y136-S140 PolarHBondContact O-OG 2.97Å; K137-S140 PolarHBondContact O-N 3.28Å; K137-S140 PolarHBondContact O-OG 3.41Å
141E90.3Very high91.6Very high100 Ų10060.9 Ų60.947%0.46729%0.292SS..Hα-helixtrans-76.9-40.9177.4-70.3170.3149.400111.8R100 K137 I139R100-E141 WeakPolarHBondContact CD-O 3.19Å; R100-E141 WeakPolarHBondContact CG-O 3.34Å; R100-E141 PolarHBondContact NE-O 2.99Å; K137-E141 VanDerWaalsContact CE-CD 3.44Å; K137-E141 WeakPolarHBondContact CE-OE1 3.2Å; K137-E141 HydrophobicContact CG-CG 4.42Å; K137-E141 WeakPolarHBondContact CG-OE2 3.3Å; K137-E141 IonicContact NZ-OE1 2.68Å; K137-E141 WeakPolarHBondContact O-CG 3.15Å; K137-E141 PolarHBondContact O-N 3.29Å; I139-E141 VanDerWaalsContact C-N 3.3Å; I139-E141 PolarHBondContact O-N 3.33Å
142S90.8Very high92.2Very high45 Ų4562 Ų6232%0.31529%0.294SS..Hα-helixtrans-83.3-33.6-175.3-54.50000113.8R101 A138 I139R101-S142 PolarHBondContact N-O 2.7Å; A138-S142 VanDerWaalsContact O-CB 3.3Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 2.8Å; I139-S142 PolarHBondContact O-N 2.99Å
143Y94.5Very high92.5Very high20 Ų2062.5 Ų62.58%0.07829%0.291CS..EExtended strand (participates in β ladder)trans-126.3147.7-166.3-66.5-82.6000114.4R101 A103 I111 M115 I139R101-Y143 HydrophobicContact CB-CD1 3.81Å; R101-Y143 HydrophobicContact CB-CE1 3.98Å; R101-Y143 PolarHBondContact NH1-OH 3.39Å; R101-Y143 VanDerWaalsContact NH1-OH 3.08Å; R101-Y143 PolarHBondContact NH2-OH 3.48Å; R101-Y143 CarbonylContact O-C 3.54Å; R101-Y143 VanDerWaalsContact O-CA 3.27Å; R101-Y143 WeakPolarHBondContact O-CA 3.31Å; A103-Y143 HydrophobicContact CB-CD1 4.14Å; I111-Y143 HydrophobicContact CB-CE2 4.5Å; I111-Y143 HydrophobicContact CD1-CD1 4.26Å; I111-Y143 HydrophobicContact CD1-CE1 3.89Å; I111-Y143 HydrophobicContact CG1-CE1 4.02Å; I111-Y143 HydrophobicContact CG2-CD1 4.33Å; I111-Y143 HydrophobicContact CG2-CD2 3.64Å; I111-Y143 HydrophobicContact CG2-CE1 4.15Å; I111-Y143 HydrophobicContact CG2-CE2 3.44Å; I111-Y143 VanDerWaalsContact CG2-CE2 3.44Å; I111-Y143 HydrophobicContact CG2-CG 4.09Å; M115-Y143 HydrophobicContact CE-CE2 3.93Å; M115-Y143 HydrophobicContact CG-CE2 4.46Å; I139-Y143 WeakPolarHBondContact O-CB 3.48Å; I139-Y143 PolarHBondContact O-N 3.47Å
144A94Very high92.8Very high13 Ų1353.6 Ų53.611%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-109.5159.8168.400000111R100 R101 A103 L146R100-A144 HydrophobicContact CB-CB 4.18Å; R101-A144 PolarHBondContact O-N 2.92Å; A103-A144 WeakPolarHBondContact CB-O 3.14Å; A103-A144 PolarHBondContact N-O 2.98Å; A144-L146 PolarHBondContact O-N 2.94Å; A144-L146 VanDerWaalsContact O-N 3.14Å
145F94.4Very high92.9Very high45 Ų4547.4 Ų47.420%0.19723%0.23CC..SBendtrans65.50.2177.1-56.7-83.2000118K26 V28 W56 K60 F62 V83 V102 P147K26-F145 VanDerWaalsContact O-CD1 3.22Å; K26-F145 WeakPolarHBondContact O-CD1 3.49Å; V28-F145 HydrophobicContact CG2-CB 4.33Å; V28-F145 HydrophobicContact CG2-CD1 4.46Å; V28-F145 HydrophobicContact CG2-CD2 4.38Å; V28-F145 HydrophobicContact CG2-CG 4.15Å; W56-F145 HydrophobicContact CZ2-CE1 4.19Å; K60-F145 HydrophobicContact CG-CZ 4.32Å; F62-F145 HydrophobicContact CE1-CD2 4.41Å; F62-F145 AromaticContact CE1-CE2 3.68Å; F62-F145 HydrophobicContact CE1-CE2 3.68Å; F62-F145 HydrophobicContact CE1-CZ 4.07Å; F62-F145 HydrophobicContact CE2-CZ 4.26Å; F62-F145 HydrophobicContact CZ-CE1 4.36Å; F62-F145 AromaticContact CZ-CE2 3.64Å; F62-F145 HydrophobicContact CZ-CE2 3.64Å; F62-F145 AromaticContact CZ-CZ 3.52Å; F62-F145 HydrophobicContact CZ-CZ 3.52Å; V83-F145 HydrophobicContact CB-CE2 4.28Å; V83-F145 HydrophobicContact CG1-CE2 4.44Å; V83-F145 HydrophobicContact CG2-CE2 3.91Å; V83-F145 HydrophobicContact CG2-CZ 4.46Å; V102-F145 HydrophobicContact CG1-CD2 4.06Å; V102-F145 HydrophobicContact CG2-CD2 4.3Å; V102-F145 HydrophobicContact CG2-CE2 4.35Å; F145-P147 WeakPolarHBondContact O-CD 3.41Å
146L95.3Very high92.7Very high26 Ų2653.9 Ų53.914%0.13626%0.262CS..  trans-79.1117.7171.2-155.2158.6000110.5A103 F108 I111 I112 I139 A144 A150 V151A103-L146 HydrophobicContact CB-CB 3.79Å; A103-L146 HydrophobicContact CB-CD1 4.04Å; A103-L146 HydrophobicContact CB-CG 4.23Å; F108-L146 HydrophobicContact CD1-CD1 4.04Å; F108-L146 HydrophobicContact CD1-CG 3.82Å; F108-L146 HydrophobicContact CE1-CB 4.24Å; F108-L146 HydrophobicContact CE1-CD1 4.47Å; F108-L146 HydrophobicContact CE1-CG 3.89Å; F108-L146 HydrophobicContact CG-CG 4.26Å; F108-L146 HydrophobicContact CZ-CG 4.37Å; I111-L146 HydrophobicContact CB-CD1 4.22Å; I111-L146 HydrophobicContact CG2-CD1 3.47Å; I111-L146 VanDerWaalsContact CG2-CD1 3.47Å; I112-L146 HydrophobicContact CD1-CD2 4.34Å; I112-L146 HydrophobicContact CG1-CD1 4.21Å; I112-L146 HydrophobicContact CG1-CD2 4.35Å; I139-L146 HydrophobicContact CG2-CB 4.44Å; I139-L146 HydrophobicContact CG2-CD1 3.95Å; I139-L146 HydrophobicContact CG2-CD2 4.29Å; I139-L146 HydrophobicContact CG2-CG 4.46Å; A144-L146 PolarHBondContact O-N 2.94Å; A144-L146 VanDerWaalsContact O-N 3.14Å; L146-A150 HydrophobicContact CD2-CB 4.37Å; L146-V151 HydrophobicContact CD2-CG2 3.4Å
147P94.4Very high92.4Very high25 Ų2554.9 Ų54.916%0.16227%0.273CS..  trans-71.5138.4-178.1-1933.2000112.9Y19 T27 F108 F145 E149 A150Y19-P147 HydrophobicContact CD1-CG 4.19Å; Y19-P147 HydrophobicContact CD2-CG 4.46Å; Y19-P147 HydrophobicContact CE1-CB 4.22Å; Y19-P147 HydrophobicContact CE1-CG 3.84Å; Y19-P147 HydrophobicContact CE2-CG 4.12Å; Y19-P147 HydrophobicContact CG-CG 4.5Å; T27-P147 HydrophobicContact CG2-CG 3.59Å; F108-P147 VanDerWaalsContact CE2-CD 3.41Å; F108-P147 HydrophobicContact CE2-CG 4.19Å; F108-P147 VanDerWaalsContact CZ-CD 3.43Å; F108-P147 HydrophobicContact CZ-CG 4.41Å; F145-P147 WeakPolarHBondContact O-CD 3.41Å; P147-E149 PolarHBondContact O-N 2.72Å; P147-A150 WeakPolarHBondContact O-CB 3.24Å; P147-A150 PolarHBondContact O-N 3.21Å
148R93.3Very high92.2Very high175 Ų17549.1 Ų49.166%0.6625%0.248SC*.Hα-helixtrans-55-39.4176.2-163-176.8177111.1-3.4112.3Y136 A150 V151 T152Y136-R148 HydrophobicContact CD1-CG 4.02Å; Y136-R148 HydrophobicContact CE1-CG 3.34Å; R148-A150 VanDerWaalsContact C-N 3.26Å; R148-A150 PolarHBondContact O-N 2.73Å; R148-V151 PolarHBondContact O-N 2.72Å; R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3.15Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å
149E94.3Very high91.6Very high112 Ų11249.7 Ų49.752%0.52325%0.251SS..Hα-helixtrans-52.2-38.9174.6-65.9169.6167.200113.3Y19 P147 T152 R153Y19-E149 VanDerWaalsContact OH-CB 3.28Å; Y19-E149 WeakPolarHBondContact OH-CB 3.37Å; Y19-E149 PolarHBondContact OH-OE2 3.49Å; P147-E149 PolarHBondContact O-N 2.72Å; E149-T152 PolarHBondContact O-N 3.17Å; E149-R153 PolarHBondContact O-N 3.15Å
150A94.6Very high90.8Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-70.1-42.9179.500000111.2F11 W14 Y19 F108 L146 P147 R148 T152 R153 F154F11-A150 VanDerWaalsContact CE2-O 3.27Å; F11-A150 WeakPolarHBondContact CE2-O 3.38Å; F11-A150 HydrophobicContact CZ-CB 4.19Å; W14-A150 HydrophobicContact CZ3-CB 4.19Å; Y19-A150 HydrophobicContact CE2-CB 4.14Å; F108-A150 HydrophobicContact CD2-CB 4.27Å; L146-A150 HydrophobicContact CD2-CB 4.37Å; P147-A150 WeakPolarHBondContact O-CB 3.24Å; P147-A150 PolarHBondContact O-N 3.21Å; R148-A150 VanDerWaalsContact C-N 3.26Å; R148-A150 PolarHBondContact O-N 2.73Å; A150-T152 VanDerWaalsContact C-N 3.35Å; A150-T152 PolarHBondContact O-N 3.49Å; A150-R153 PolarHBondContact O-N 2.8Å; A150-F154 PolarHBondContact O-N 3.45Å
151V93.9Very high90Very high3 Ų351.2 Ų51.22%0.01825%0.254CS..Hα-helixtrans-62.2-42.4173.3-170.60000110.7I112 T135 Y136 I139 L146 R148 R153 F154 L155I112-V151 HydrophobicContact CD1-CG2 4.38Å; I112-V151 HydrophobicContact CG1-CG2 4.31Å; I112-V151 HydrophobicContact CG2-CG1 4.33Å; T135-V151 HydrophobicContact CG2-CG1 4.19Å; Y136-V151 HydrophobicContact CD1-CB 4.15Å; Y136-V151 HydrophobicContact CD1-CG1 3.86Å; Y136-V151 HydrophobicContact CE1-CB 3.57Å; Y136-V151 HydrophobicContact CE1-CG1 3.61Å; Y136-V151 HydrophobicContact CE1-CG2 4.31Å; I139-V151 HydrophobicContact CD1-CG1 4.01Å; I139-V151 HydrophobicContact CD1-CG2 3.99Å; I139-V151 HydrophobicContact CG2-CG2 4.44Å; L146-V151 HydrophobicContact CD2-CG2 3.4Å; R148-V151 PolarHBondContact O-N 2.72Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.42Å; V151-F154 PolarHBondContact O-N 2.93Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.23Å; V151-L155 VanDerWaalsContact O-CG 3.25Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.15Å
152T92.4Very high89.2Confident51 Ų5151.1 Ų51.131%0.31325%0.253SS..Hα-helixtrans-55.9-50.6174.6-41.50000110.9Y136 R148 E149 A150 F154 L155 M156Y136-T152 WeakPolarHBondContact OH-CA 2.74Å; Y136-T152 PolarHBondContact OH-N 3.15Å; Y136-T152 PolarHBondContact OH-OG1 3.06Å; R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3.15Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å; E149-T152 PolarHBondContact O-N 3.17Å; A150-T152 VanDerWaalsContact C-N 3.35Å; A150-T152 PolarHBondContact O-N 3.49Å; T152-F154 PolarHBondContact O-N 2.99Å; T152-L155 PolarHBondContact O-N 2.74Å; T152-M156 HydrophobicContact CG2-CG 4.47Å; T152-M156 HydrophobicContact CG2-SD 3.95Å; T152-M156 WeakPolarHBondContact O-CG 3.27Å; T152-M156 PolarHBondContact O-N 3.49Å
153R92.2Very high88.1Confident120 Ų12054.1 Ų54.145%0.45326%0.26SS..Hα-helixtrans-65.8-40.1-174.6-164.1-174.3-174.598.50.4111.8F11 W14 E149 A150 V151 M156 S157F11-R153 HydrophobicContact CE2-CB 4.29Å; W14-R153 HydrophobicContact CH2-CB 4.39Å; W14-R153 HydrophobicContact CZ3-CB 4.23Å; E149-R153 PolarHBondContact O-N 3.15Å; A150-R153 PolarHBondContact O-N 2.8Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.42Å; R153-M156 PolarHBondContact O-N 3.05Å; R153-S157 PolarHBondContact O-N 2.87Å; R153-S157 PolarHBondContact O-OG 3.44Å
154F93.1Very high86.6Confident2 Ų260.4 Ų60.41%0.00928%0.284CS..Hα-helixtrans-59.4-49.8173.3178.8-81.8000111.3M7 F11 F109 I112 Y113 H116 A150 V151 T152 M156 S157 C158M7-F154 HydrophobicContact SD-CE2 4.24Å; M7-F154 HydrophobicContact SD-CZ 4.49Å; F11-F154 HydrophobicContact CD2-CB 4.19Å; F11-F154 HydrophobicContact CE2-CB 3.68Å; F11-F154 HydrophobicContact CZ-CB 4.07Å; F109-F154 AromaticContact CD2-CD2 3.91Å; F109-F154 HydrophobicContact CD2-CD2 3.91Å; F109-F154 AromaticContact CD2-CE2 3.72Å; F109-F154 HydrophobicContact CD2-CE2 3.72Å; F109-F154 HydrophobicContact CE1-CE2 4.37Å; F109-F154 HydrophobicContact CE2-CD2 4.04Å; F109-F154 AromaticContact CE2-CE2 3.56Å; F109-F154 HydrophobicContact CE2-CE2 3.56Å; F109-F154 HydrophobicContact CG-CE2 4.22Å; F109-F154 AromaticContact CZ-CE2 3.93Å; F109-F154 HydrophobicContact CZ-CE2 3.93Å; I112-F154 HydrophobicContact CB-CD1 4.27Å; I112-F154 HydrophobicContact CB-CD2 4.16Å; I112-F154 HydrophobicContact CB-CE2 4.45Å; I112-F154 HydrophobicContact CB-CG 4.07Å; I112-F154 HydrophobicContact CD1-CB 4.03Å; I112-F154 HydrophobicContact CD1-CG 4.4Å; I112-F154 HydrophobicContact CG2-CB 3.93Å; I112-F154 HydrophobicContact CG2-CD1 3.31Å; I112-F154 HydrophobicContact CG2-CD2 4.06Å; I112-F154 HydrophobicContact CG2-CE1 3.76Å; I112-F154 HydrophobicContact CG2-CE2 4.43Å; I112-F154 HydrophobicContact CG2-CG 3.49Å; I112-F154 VanDerWaalsContact CG2-CG 3.49Å; I112-F154 HydrophobicContact CG2-CZ 4.3Å; Y113-F154 HydrophobicContact CD2-CE2 4.39Å; Y113-F154 AromaticContact CD2-CZ 3.94Å; Y113-F154 HydrophobicContact CD2-CZ 3.94Å; Y113-F154 HydrophobicContact CG-CZ 4.32Å; H116-F154 HydrophobicContact CB-CE1 4.12Å; H116-F154 AromaticContact CD2-CE1 3.69Å; H116-F154 AromaticContact CG-CE1 3.99Å; A150-F154 PolarHBondContact O-N 3.45Å; V151-F154 PolarHBondContact O-N 2.93Å; T152-F154 PolarHBondContact O-N 2.99Å; F154-M156 VanDerWaalsContact C-N 3.27Å; F154-M156 PolarHBondContact O-N 3.02Å; F154-S157 WeakPolarHBondContact CA-OG 3.3Å; F154-S157 CarbonylContact O-C 3.59Å; F154-S157 PolarHBondContact O-N 3.27Å; F154-S157 VanDerWaalsContact O-N 3.1Å; F154-S157 PolarHBondContact O-OG 2.93Å; F154-C158 PolarHBondContact O-N 2.95Å
155L90.4Very high84.6Confident12 Ų1266.4 Ų66.46%0.06331%0.312CS..Hα-helixtrans-62.5-33.5-179.6-70.4173.2000112.5H116 Q132 T135 Y136 V151 T152H116-L155 WeakPolarHBondContact CE1-CD2 3.22Å; H116-L155 VanDerWaalsContact ND1-CD2 3.3Å; H116-L155 WeakPolarHBondContact ND1-CD2 3.47Å; Q132-L155 HydrophobicContact CB-CD1 4.13Å; Q132-L155 HydrophobicContact CG-CD1 3.85Å; T135-L155 HydrophobicContact CG2-CD2 4.29Å; Y136-L155 HydrophobicContact CE2-CD1 4.05Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.23Å; V151-L155 VanDerWaalsContact O-CG 3.25Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.15Å; T152-L155 PolarHBondContact O-N 2.74Å
156M87.9Confident83Confident137 Ų13771.4 Ų71.468%0.67534%0.335SS*.Hα-helixtrans-75.4-26174.5-69.4178.371.400113.8T152 R153 F154T152-M156 HydrophobicContact CG2-CG 4.47Å; T152-M156 HydrophobicContact CG2-SD 3.95Å; T152-M156 WeakPolarHBondContact O-CG 3.27Å; T152-M156 PolarHBondContact O-N 3.49Å; R153-M156 PolarHBondContact O-N 3.05Å; F154-M156 VanDerWaalsContact C-N 3.27Å; F154-M156 PolarHBondContact O-N 3.02Å
157S86.4Confident80.9Confident48 Ų4876.3 Ų76.334%0.33636%0.361SS..Hα-helixtrans-88.8-7.3172.6510000113.9M7 R153 F154 S159M7-S157 WeakPolarHBondContact CE-O 3.42Å; R153-S157 PolarHBondContact O-N 2.87Å; R153-S157 PolarHBondContact O-OG 3.44Å; F154-S157 WeakPolarHBondContact CA-OG 3.3Å; F154-S157 CarbonylContact O-C 3.59Å; F154-S157 PolarHBondContact O-N 3.27Å; F154-S157 VanDerWaalsContact O-N 3.1Å; F154-S157 PolarHBondContact O-OG 2.93Å; S157-S159 PolarHBondContact O-N 3.3Å
158C88.1Confident78.2Confident5 Ų582.3 Ų82.33%0.03439%0.391CS..  trans-76.299.5176.1-178.20000110.2H116 H129 F154 E160 C161 Q162H116-C158 PolarHBondContact NE2-SG 3.22Å; H116-C158 VanDerWaalsContact NE2-SG 3.41Å; H129-C158 PolarHBondContact CE1-SG 3.17Å; F154-C158 PolarHBondContact O-N 2.95Å; C158-E160 VanDerWaalsContact C-N 3.27Å; C158-E160 PolarHBondContact O-N 3.4Å; C158-C161 HydrophobicContact CB-CB 4.17Å; C158-C161 PolarHBondContact O-N 3.47Å; C158-Q162 PolarHBondContact O-N 3.18Å
159S78.3Confident76.1Confident38 Ų3880.6 Ų80.627%0.26640%0.403SS..Hα-helixtrans-54.8-36.3-175.952.30000114.1S157 C161 Q162 K163S157-S159 PolarHBondContact O-N 3.3Å; S159-C161 VanDerWaalsContact C-N 3.34Å; S159-C161 PolarHBondContact O-N 3.38Å; S159-Q162 PolarHBondContact O-N 2.9Å; S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.43Å; S159-K163 PolarHBondContact O-N 3.19Å
160E76.8Confident73.4Confident76 Ų7681.9 Ų81.936%0.35541%0.413SS..Hα-helixtrans-72-23.7176.9-60.7-50129.800114H129 C158 K163 R164H129-E160 WeakPolarHBondContact NE2-CB 3.46Å; C158-E160 VanDerWaalsContact C-N 3.27Å; C158-E160 PolarHBondContact O-N 3.4Å; E160-K163 IonicContact OE1-NZ 2.68Å; E160-K163 PolarHBondContact OE1-NZ 2.96Å; E160-K163 IonicContact OE2-NZ 3.16Å; E160-K163 PolarHBondContact OE2-NZ 2.97Å; E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-NE 3.38Å
161C75.4Confident71Confident23 Ų2385.4 Ų85.416%0.15545%0.45CS..Hα-helixtrans-84.5-39.3168.4-74.70000111.6H116 C158 S159 K163 R164 M165H116-C161 PolarHBondContact CE1-SG 2.67Å; H116-C161 PolarHBondContact NE2-SG 3.33Å; H116-C161 VanDerWaalsContact NE2-SG 3.38Å; C158-C161 HydrophobicContact CB-CB 4.17Å; C158-C161 PolarHBondContact O-N 3.47Å; S159-C161 VanDerWaalsContact C-N 3.34Å; S159-C161 PolarHBondContact O-N 3.38Å; C161-K163 VanDerWaalsContact C-N 3.33Å; C161-K163 PolarHBondContact O-N 3.38Å; C161-R164 PolarHBondContact O-N 3.1Å; C161-R164 VanDerWaalsContact O-N 3.11Å; C161-M165 WeakPolarHBondContact O-CG 3.47Å; C161-M165 PolarHBondContact O-N 2.85Å; C161-M165 VanDerWaalsContact O-N 3.1Å
162Q73Confident68.4Low98 Ų9890.8 Ų90.846%0.45848%0.483SS..Hα-helixtrans-57.7-44177.2-170.6-179.73.400111.6C158 S159 R164 M165 H166C158-Q162 PolarHBondContact O-N 3.18Å; S159-Q162 PolarHBondContact O-N 2.9Å; Q162-R164 VanDerWaalsContact C-N 3.33Å; Q162-R164 PolarHBondContact O-N 3.03Å; Q162-M165 PolarHBondContact O-N 3.29Å; Q162-M165 VanDerWaalsContact O-N 3.09Å; Q162-H166 PolarHBondContact O-CD2 2.99Å; Q162-H166 VanDerWaalsContact O-CD2 3.27Å; Q162-H166 PolarHBondContact O-N 3.2Å
163K66.9Low66Low108 Ų10896.3 Ų96.347%0.4751%0.511SS..Hα-helixtrans-53.6-47.2173.2-71.7164.5-173.3175.60112.3S159 E160 C161 M165 H166 L167S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.43Å; S159-K163 PolarHBondContact O-N 3.19Å; E160-K163 IonicContact OE1-NZ 2.68Å; E160-K163 PolarHBondContact OE1-NZ 2.96Å; E160-K163 IonicContact OE2-NZ 3.16Å; E160-K163 PolarHBondContact OE2-NZ 2.97Å; C161-K163 VanDerWaalsContact C-N 3.33Å; C161-K163 PolarHBondContact O-N 3.38Å; K163-M165 VanDerWaalsContact C-N 3.25Å; K163-M165 PolarHBondContact O-N 3.49Å; K163-H166 PolarHBondContact O-N 3.19Å; K163-L167 WeakPolarHBondContact O-CG 3.33Å; K163-L167 PolarHBondContact O-N 2.86Å
164R62.9Low63.3Low152 Ų15299 Ų9957%0.57453%0.528SS*.Hα-helixtrans-71.4-16.4-179.7-59.9-178.1-157-154.30.7113.9E160 C161 Q162E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-NE 3.38Å; C161-R164 PolarHBondContact O-N 3.1Å; C161-R164 VanDerWaalsContact O-N 3.11Å; Q162-R164 VanDerWaalsContact C-N 3.33Å; Q162-R164 PolarHBondContact O-N 3.03Å
165M53.4Low61Low139 Ų139107.7 Ų107.769%0.68557%0.566SS**Hα-helixtrans-83.8-12.5173.5-70.1-57-47.500113.4C161 Q162 K163C161-M165 WeakPolarHBondContact O-CG 3.47Å; C161-M165 PolarHBondContact O-N 2.85Å; C161-M165 VanDerWaalsContact O-N 3.1Å; Q162-M165 PolarHBondContact O-N 3.29Å; Q162-M165 VanDerWaalsContact O-N 3.09Å; K163-M165 VanDerWaalsContact C-N 3.25Å; K163-M165 PolarHBondContact O-N 3.49Å
166H60.4Low58.5Low149 Ų149114.2 Ų114.269%0.6960%0.601SS**Hα-helixtrans-120.4-0.6-177.1-67.7-65.2000114.4Q162 K163Q162-H166 PolarHBondContact O-CD2 2.99Å; Q162-H166 VanDerWaalsContact O-CD2 3.27Å; Q162-H166 PolarHBondContact O-N 3.2Å; K163-H166 PolarHBondContact O-N 3.19Å
167L50.7Low56.1Low129 Ų129115.4 Ų115.468%0.67561%0.61SS**SBendtrans-93.6123.9170-70.3168.5000109.4K163K163-L167 WeakPolarHBondContact O-CG 3.33Å; K163-L167 PolarHBondContact O-N 2.86Å
168N37.7Very low53.7Low151 Ų151116.3 Ų116.381%0.80763%0.627SS**  trans-62.3143.9168.4-78.1-33.2000109.8D170N168-D170 VanDerWaalsContact C-N 3.28Å; N168-D170 PolarHBondContact O-N 3.2Å
169P50.4Low51.1Low139 Ų139125.6 Ų125.690%0.90367%0.667SS**  trans-81.176.8174.234.8-34.3000110
170D36.3Very low49Very low139 Ų139129 Ų12974%0.74369%0.688SS**  trans-116134.5153.6-164.97.1000109N168N168-D170 VanDerWaalsContact C-N 3.28Å; N168-D170 PolarHBondContact O-N 3.2Å
171G45.4Very low46.9Very low74 Ų74130.8 Ų130.876%0.76371%0.706SS**  trans-123.473.1-161.900000111.6
172T37.9Very low45.3Very low116 Ų116135.9 Ų135.971%0.71274%0.737SS**  trans-120.9121.6169.644.40000110.5H174T172-H174 PolarHBondContact O-N 3.47Å
173D41.7Very low43.6Very low168 Ų168138.9 Ų138.990%0.89876%0.755SS**  trans-66.7115.8172.1-89.7-87.2000109.9
174H35.9Very low42Very low176 Ų176139.8 Ų139.882%0.81577%0.769SS**  trans-129.4117.2158.4-112.9-74.3000111.4T172T172-H174 PolarHBondContact O-N 3.47Å
175K44.5Very low41Very low184 Ų184138.8 Ų138.880%0.878%0.78SS**  trans-59.3134.8151-64.9171.4175.71750107.4
176D37.5Very low40.2Very low150 Ų150137 Ų13780%0.80278%0.781SS**  -166.2173.898.2-122.4-56.8000114.2
177N39.4Very low39.5Very low161 Ų161138.7 Ų138.786%0.86179%0.792SS**  trans-80.8131.1175.6-78.5-66.5000111.9
178G34Very low39.5Very low68 Ų68138.5 Ų138.570%0.70179%0.79SS**  trans-173.138.7-178.300000121.5
179K33.5Very low39.8Very low200 Ų200135.6 Ų135.687%0.8777%0.774SS**  trans65.9153.2175.2-57.4168.2179.6170.20115.2
180P34.3Very low39.9Very low109 Ų109138.7 Ų138.771%0.70877%0.77SS**  trans-75.9136.517031.1-33.1000110.4T182P180-T182 PolarHBondContact O-N 3.41Å
181P33.3Very low40.5Very low113 Ų113136.2 Ų136.273%0.73476%0.756SS**  trans-71.3111.8169.728.9-32.4000109.4L183P181-L183 PolarHBondContact O-N 2.97Å
182T41.5Very low40.8Very low131 Ų131136.9 Ų136.980%0.80474%0.741SS**  trans-75.166.3170.249.10000110.4P180 V184P180-T182 PolarHBondContact O-N 3.41Å; T182-V184 PolarHBondContact O-N 3.27Å
183L38.6Very low41.2Very low160 Ų160135 Ų13584%0.83873%0.731SS**  trans-74.3112.5166.7-71.9-179.8000108.7P181P181-L183 PolarHBondContact O-N 2.97Å
184V32.1Very low41.9Very low127 Ų127133.9 Ų133.977%0.7772%0.723SS**  trans-54.4149.5179.6174.60000110.7T182 S186T182-V184 PolarHBondContact O-N 3.27Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3.03Å
185T42.5Very low43.3Very low132 Ų132128.5 Ų128.581%0.8170%0.703SS**  trans-56.783.5173.1-50.10000112.4
186S37.1Very low44Very low101 Ų101126.8 Ų126.871%0.70670%0.7SS**  trans-76134.9158.8550000108.8V184 I188V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3.03Å; S186-I188 PolarHBondContact O-N 3.43Å; S186-I188 VanDerWaalsContact O-N 3.16Å
187M45.8Very low44.7Very low185 Ų185122.9 Ų122.991%0.91169%0.688SS**  trans-75.8107.9-167.3-63.3174.3-175.800111.1D189M187-D189 PolarHBondContact O-N 3.44Å
188I50.9Low45.9Very low125 Ų125119.3 Ų119.364%0.64166%0.663SS**  trans-71.2108.5163.8-60176.3000107.3S186 Y190S186-I188 PolarHBondContact O-N 3.43Å; S186-I188 VanDerWaalsContact O-N 3.16Å; I188-Y190 VanDerWaalsContact O-CD2 3.23Å; I188-Y190 WeakPolarHBondContact O-CD2 3.26Å; I188-Y190 WeakPolarHBondContact O-CE2 3.4Å; I188-Y190 PolarHBondContact O-N 3.02Å
189D42.7Very low47.8Very low89 Ų89121.2 Ų121.248%0.47666%0.655SS.*  trans-72.3100.8174.5-178.716.4000110.9M187 N191 M192M187-D189 PolarHBondContact O-N 3.44Å; D189-N191 PolarHBondContact O-N 3Å; D189-N191 VanDerWaalsContact OD1-CB 3.22Å; D189-N191 WeakPolarHBondContact OD1-CB 3.26Å; D189-N191 VanDerWaalsContact OD1-CG 3.26Å; D189-N191 PolarHBondContact OD1-N 3.36Å; D189-N191 PolarHBondContact OD1-ND2 3.31Å; D189-M192 PolarHBondContact O-N 3.33Å
190Y52.8Low49.1Very low204 Ų204118.3 Ų118.380%0.864%0.642SS**THydrogen-bonded Turntrans-62.8-3.4176.1-66.2-79.1000114.3I188I188-Y190 VanDerWaalsContact O-CD2 3.23Å; I188-Y190 WeakPolarHBondContact O-CD2 3.26Å; I188-Y190 WeakPolarHBondContact O-CE2 3.4Å; I188-Y190 PolarHBondContact O-N 3.02Å
191N49Very low50.6Low87 Ų87118.3 Ų118.347%0.46563%0.633SS.*THydrogen-bonded Turntrans-80-20.3174.1-61.2-54.8000113.8D189 R478D189-N191 PolarHBondContact O-N 3Å; D189-N191 VanDerWaalsContact OD1-CB 3.22Å; D189-N191 WeakPolarHBondContact OD1-CB 3.26Å; D189-N191 VanDerWaalsContact OD1-CG 3.26Å; D189-N191 PolarHBondContact OD1-N 3.36Å; D189-N191 PolarHBondContact OD1-ND2 3.31Å; N191-R478 PolarHBondContact O-NH1 2.97Å; N191-R478 PolarHBondContact OD1-NH2 2.61Å
192M52.2Low52.1Low88 Ų88117 Ų11743%0.43362%0.618SS.*SBendtrans-74.8123.9-178.3-164.967.773.800111.4D189 I194 Y198D189-M192 PolarHBondContact O-N 3.33Å; M192-I194 PolarHBondContact O-N 2.91Å; M192-Y198 HydrophobicContact CE-CE2 4.08Å; M192-Y198 HydrophobicContact CG-CD1 4.06Å; M192-Y198 HydrophobicContact CG-CD2 4.13Å; M192-Y198 HydrophobicContact CG-CE1 3.69Å; M192-Y198 HydrophobicContact CG-CE2 3.78Å; M192-Y198 HydrophobicContact CG-CG 4.26Å; M192-Y198 HydrophobicContact SD-CD2 4.14Å; M192-Y198 HydrophobicContact SD-CE2 3.8Å
193P46.9Very low53.2Low78 Ų78117.6 Ų117.651%0.50661%0.609SS.*  trans-74.7119.9-179.129.7-33.4000111T195P193-T195 HydrophobicContact CB-CG2 4.35Å; P193-T195 PolarHBondContact O-N 2.96Å
194I54.8Low54.4Low143 Ų143115.6 Ų115.673%0.73360%0.599SS**  trans-70.869.7176.7-45.5175.4000110.4M192 M199M192-I194 PolarHBondContact O-N 2.91Å; I194-M199 HydrophobicContact CG2-CE 4.26Å; I194-M199 HydrophobicContact CG2-CG 4.31Å; I194-M199 HydrophobicContact CG2-SD 3.91Å
195T64.9Low55.8Low63 Ų63114.9 Ų114.939%0.38759%0.587SS.*  trans-84.4150168.962.80000109.4P193 A197 Y198 M199P193-T195 HydrophobicContact CB-CG2 4.35Å; P193-T195 PolarHBondContact O-N 2.96Å; T195-A197 PolarHBondContact O-N 3.06Å; T195-Y198 PolarHBondContact O-N 3.45Å; T195-Y198 VanDerWaalsContact O-N 3.1Å; T195-Y198 WeakPolarHBondContact OG1-CB 3.42Å; T195-Y198 PolarHBondContact OG1-N 3.26Å; T195-M199 PolarHBondContact O-N 3.04Å
196M59.7Low56.7Low149 Ų149114 Ų11473%0.73458%0.577SS**Hα-helixtrans-59.5-26.4172.4-173.417162.700111.9K200M196-K200 WeakPolarHBondContact O-CB 3.49Å; M196-K200 WeakPolarHBondContact O-CG 3.45Å; M196-K200 PolarHBondContact O-N 3.38Å
197A52.9Low57.7Low68 Ų68114.2 Ų114.256%0.56257%0.57SS**Hα-helixtrans-67.7-46.3172.400000112.5T195 K200 H201T195-A197 PolarHBondContact O-N 3.06Å; A197-K200 PolarHBondContact O-N 3.25Å; A197-H201 WeakPolarHBondContact O-CB 3.33Å; A197-H201 PolarHBondContact O-N 3.08Å
198Y63.5Low57.9Low86 Ų86110.3 Ų110.334%0.33755%0.552SS.*Hα-helixtrans-62.2-44.6177.3179.3-105.7000112.1M192 T195 K200 H201 M202M192-Y198 HydrophobicContact CE-CE2 4.08Å; M192-Y198 HydrophobicContact CG-CD1 4.06Å; M192-Y198 HydrophobicContact CG-CD2 4.13Å; M192-Y198 HydrophobicContact CG-CE1 3.69Å; M192-Y198 HydrophobicContact CG-CE2 3.78Å; M192-Y198 HydrophobicContact CG-CG 4.26Å; M192-Y198 HydrophobicContact SD-CD2 4.14Å; M192-Y198 HydrophobicContact SD-CE2 3.8Å; T195-Y198 PolarHBondContact O-N 3.45Å; T195-Y198 VanDerWaalsContact O-N 3.1Å; T195-Y198 WeakPolarHBondContact OG1-CB 3.42Å; T195-Y198 PolarHBondContact OG1-N 3.26Å; Y198-K200 VanDerWaalsContact C-N 3.33Å; Y198-K200 PolarHBondContact O-N 2.97Å; Y198-H201 PolarHBondContact O-N 2.96Å; Y198-M202 HydrophobicContact CE1-SD 4.29Å; Y198-M202 PolarHBondContact O-N 3.47Å
199M74.1Confident57.7Low107 Ų107108.2 Ų108.253%0.52755%0.548SS..Hα-helixtrans-66.9-32.6175.9-64.1-160.7-59.600112.7I194 T195 K203I194-M199 HydrophobicContact CG2-CE 4.26Å; I194-M199 HydrophobicContact CG2-CG 4.31Å; I194-M199 HydrophobicContact CG2-SD 3.91Å; T195-M199 PolarHBondContact O-N 3.04Å; M199-K203 VanDerWaalsContact O-CB 3.27Å; M199-K203 WeakPolarHBondContact O-CB 3.35Å; M199-K203 PolarHBondContact O-N 3.35Å
200K62.3Low57.9Low140 Ų140110.8 Ų110.861%0.60956%0.558SS**Hα-helixtrans-65-44.9168.8-86.8-168.9172.1-168.40112.1M196 A197 Y198 K203 L204M196-K200 WeakPolarHBondContact O-CB 3.49Å; M196-K200 WeakPolarHBondContact O-CG 3.45Å; M196-K200 PolarHBondContact O-N 3.38Å; A197-K200 PolarHBondContact O-N 3.25Å; Y198-K200 VanDerWaalsContact C-N 3.33Å; Y198-K200 PolarHBondContact O-N 2.97Å; K200-K203 CarbonylContact O-C 3.6Å; K200-K203 PolarHBondContact O-N 2.87Å; K200-L204 VanDerWaalsContact O-CD1 3.3Å; K200-L204 WeakPolarHBondContact O-CD1 3.2Å; K200-L204 PolarHBondContact O-N 3.13Å
201H64.5Low57.4Low108 Ų108108.3 Ų108.350%0.555%0.553SS.*Hα-helixtrans-62.3-47.1-179.5-173.6-78.2000111.8A197 Y198 K203 L204 Q205A197-H201 WeakPolarHBondContact O-CB 3.33Å; A197-H201 PolarHBondContact O-N 3.08Å; Y198-H201 PolarHBondContact O-N 2.96Å; H201-K203 VanDerWaalsContact C-N 3.31Å; H201-K203 PolarHBondContact O-N 2.94Å; H201-L204 WeakPolarHBondContact O-CB 3.25Å; H201-L204 PolarHBondContact O-N 3.49Å; H201-L204 VanDerWaalsContact O-N 3.15Å; H201-Q205 PolarHBondContact ND1-OE1 2.91Å; H201-Q205 PolarHBondContact O-N 2.95Å
202M64.8Low57Low85 Ų85109.4 Ų109.442%0.41956%0.559SS.*Hα-helixtrans-66.4-34.1177.2-161.9170.87400111.7Y198 L206Y198-M202 HydrophobicContact CE1-SD 4.29Å; Y198-M202 PolarHBondContact O-N 3.47Å; M202-L206 WeakPolarHBondContact O-CG 3.17Å; M202-L206 PolarHBondContact O-N 3.48Å; M202-L206 VanDerWaalsContact O-N 3.16Å
203K65.9Low56.5Low144 Ų144112.3 Ų112.363%0.62657%0.572SS**Hα-helixtrans-68.1-36.8170.5-174.1168.9-178.2175.10112.5M199 K200 H201 L206 L207M199-K203 VanDerWaalsContact O-CB 3.27Å; M199-K203 WeakPolarHBondContact O-CB 3.35Å; M199-K203 PolarHBondContact O-N 3.35Å; K200-K203 CarbonylContact O-C 3.6Å; K200-K203 PolarHBondContact O-N 2.87Å; H201-K203 VanDerWaalsContact C-N 3.31Å; H201-K203 PolarHBondContact O-N 2.94Å; K203-L206 PolarHBondContact O-N 3.08Å; K203-L207 HydrophobicContact CG-CD1 4.03Å; K203-L207 VanDerWaalsContact O-CD1 3.22Å; K203-L207 WeakPolarHBondContact O-CD1 3.39Å; K203-L207 PolarHBondContact O-N 3.03Å; K203-L207 VanDerWaalsContact O-N 3.12Å
204L63.3Low56.1Low119 Ų119115.5 Ų115.562%0.62359%0.585SS**Hα-helixtrans-63.6-44.9174.1-103.273.5000111.3K200 H201 L206 L207 N208K200-L204 VanDerWaalsContact O-CD1 3.3Å; K200-L204 WeakPolarHBondContact O-CD1 3.2Å; K200-L204 PolarHBondContact O-N 3.13Å; H201-L204 WeakPolarHBondContact O-CB 3.25Å; H201-L204 PolarHBondContact O-N 3.49Å; H201-L204 VanDerWaalsContact O-N 3.15Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 2.86Å; L204-L207 PolarHBondContact O-N 2.96Å; L204-L207 VanDerWaalsContact O-N 3.07Å; L204-N208 PolarHBondContact O-N 3.36Å
205Q60.8Low55.3Low112 Ų112117.6 Ų117.652%0.52359%0.592SS.*Hα-helixtrans-59.5-40.6175.8-73.2-179.5-52.600112H201 L207 N208 S209H201-Q205 PolarHBondContact ND1-OE1 2.91Å; H201-Q205 PolarHBondContact O-N 2.95Å; Q205-L207 VanDerWaalsContact C-N 3.28Å; Q205-L207 PolarHBondContact O-N 3.44Å; Q205-N208 PolarHBondContact O-N 3.35Å; Q205-S209 PolarHBondContact O-N 3.03Å; Q205-S209 PolarHBondContact O-OG 3.42Å
206L62.7Low53.9Low114 Ų114119 Ų11960%0.59760%0.604SS**Hα-helixtrans-70.8-16.4175.6-70.9170.2000114.8M202 K203 L204 Q210M202-L206 WeakPolarHBondContact O-CG 3.17Å; M202-L206 PolarHBondContact O-N 3.48Å; M202-L206 VanDerWaalsContact O-N 3.16Å; K203-L206 PolarHBondContact O-N 3.08Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 2.86Å; L206-Q210 PolarHBondContact O-NE2 3.04Å
207L56.4Low52.9Low105 Ų105117.3 Ų117.355%0.5561%0.606SS.*Hα-helixtrans-86.1-38.3167.4-93.675.6000111.1K203 L204 Q205 Q210K203-L207 HydrophobicContact CG-CD1 4.03Å; K203-L207 VanDerWaalsContact O-CD1 3.22Å; K203-L207 WeakPolarHBondContact O-CD1 3.39Å; K203-L207 PolarHBondContact O-N 3.03Å; K203-L207 VanDerWaalsContact O-N 3.12Å; L204-L207 PolarHBondContact O-N 2.96Å; L204-L207 VanDerWaalsContact O-N 3.07Å; Q205-L207 VanDerWaalsContact C-N 3.28Å; Q205-L207 PolarHBondContact O-N 3.44Å; L207-Q210 VanDerWaalsContact O-CB 3.3Å; L207-Q210 WeakPolarHBondContact O-CB 3.42Å; L207-Q210 PolarHBondContact O-N 3.23Å; L207-Q210 VanDerWaalsContact O-N 3.15Å
208N51.4Low52Low103 Ų103122.7 Ų122.755%0.55162%0.624SS**Hα-helixtrans-67-46.6-178.3-142.3100.9000111.6L204 Q205 Q210 Q211L204-N208 PolarHBondContact O-N 3.36Å; Q205-N208 PolarHBondContact O-N 3.35Å; N208-Q210 PolarHBondContact O-N 3.48Å; N208-Q211 PolarHBondContact O-N 3.43Å
209S45.8Very low50.6Low80 Ų80127.3 Ų127.356%0.55965%0.649SS**THydrogen-bonded Turntrans-69.95.8173.4-58.60000114.2Q205Q205-S209 PolarHBondContact O-N 3.03Å; Q205-S209 PolarHBondContact O-OG 3.42Å
210Q46.8Very low48.8Very low144 Ų144126.4 Ų126.467%0.67365%0.653SS**THydrogen-bonded Turntrans-100.1-0.1170.6-134.7165.2120.400112L206 L207 N208L206-Q210 PolarHBondContact O-NE2 3.04Å; L207-Q210 VanDerWaalsContact O-CB 3.3Å; L207-Q210 WeakPolarHBondContact O-CB 3.42Å; L207-Q210 PolarHBondContact O-N 3.23Å; L207-Q210 VanDerWaalsContact O-N 3.15Å; N208-Q210 PolarHBondContact O-N 3.48Å
211Q43.3Very low47.5Very low151 Ų151126.7 Ų126.771%0.70666%0.661SS**SBendtrans-112.8-10.1-179.6-166.5166.2-3.200112.8N208N208-Q211 PolarHBondContact O-N 3.43Å
212D40.7Very low46.5Very low111 Ų111129.8 Ų129.859%0.59468%0.676SS**SBendtrans-90.8-11.1-179-61.8-50.1000113.8
213E41.5Very low44.9Very low148 Ų148135.3 Ų135.369%0.69270%0.698SS**SBendtrans-94.9-29.4-174.2-61.2-94.111800113.4E215 S216E213-E215 PolarHBondContact O-N 3.35Å; E213-S216 PolarHBondContact O-OG 3.2Å
214D37.1Very low43.5Very low146 Ų146133.8 Ų133.878%0.78170%0.697SS**THydrogen-bonded Turntrans-79.5-13.2-169.8-79.7-24.7000115S216D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact O-N 3.34Å
215E38.9Very low42.3Very low187 Ų187135 Ų13587%0.87470%0.701SS**THydrogen-bonded Turntrans-93.131.7178.7-74.5-73.4170.200112.6E213E213-E215 PolarHBondContact O-N 3.35Å
216S35.9Very low41.2Very low93 Ų93134.5 Ų134.565%0.6571%0.71SS**SBendtrans-123.217-170.970.20000115.7E213 D214E213-S216 PolarHBondContact O-OG 3.2Å; D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact O-N 3.34Å
217S37.9Very low39.7Very low112 Ų112136.1 Ų136.178%0.78372%0.719SS**  trans-156.684.6174.9-76.30000115.5
218I34.3Very low39Very low181 Ų181134.9 Ų134.993%0.92872%0.719SS**  trans-133.1149142.358.1170.1000109.8
219E33.1Very low38.3Very low183 Ų183135.2 Ų135.286%0.85573%0.725SS**  trans-122.8163.2-170.3-161.5-179163.300110.8
220S37.1Very low38Very low89 Ų89142.1 Ų142.162%0.62274%0.739SS**  trans7499.5164.6-62.90000120.6
221D35.2Very low37.3Very low145 Ų145143.2 Ų143.278%0.77575%0.746SS**  74.9148.9118.7-65.6-60.4000124.4
222E43.2Very low37Very low173 Ų173141.3 Ų141.381%0.80875%0.749SS**  trans41.1109.6159.465.9-177.5176.800122.3
223F32.3Very low36.8Very low201 Ų201140.6 Ų140.688%0.88276%0.759SS**  -160.6179.895.2-149-108.5000112.6
224D36.2Very low36.5Very low113 Ų113139.5 Ų139.560%0.60476%0.762SS**  trans-116.5171.2-162.1-17020.8000114
225M38.2Very low36.3Very low144 Ų144139.3 Ų139.371%0.70976%0.761SS**  trans68.2109.4158.9-69.8-85.5161.600121.1
226S38.2Very low36Very low101 Ų101135.2 Ų135.271%0.70675%0.753SS**  77.9124.7114.2-61.60000123.6
227D31.1Very low35.7Very low148 Ų148136.8 Ų136.879%0.79175%0.754SS**  89.9135127.7-160.732.5000122
228S40.6Very low35.5Very low80 Ų80139.9 Ų139.956%0.55976%0.761SS**  trans74.4110142-93.50000124.8
229T37Very low35.3Very low110 Ų110136.6 Ų136.668%0.67575%0.754SS**  96.3135.2102.6-72.20000121.2
230R40.4Very low35.1Very low224 Ų224133.6 Ų133.685%0.84575%0.753SS**  trans94.8139169.9-71.9140.4-170-106.9-2.6117.1
231M31.5Very low34.7Very low167 Ų167136.8 Ų136.882%0.82376%0.763SS**  cis141155.7-16.8-88.4-83.3107.500109.5
232S37.8Very low34.3Very low111 Ų111136.3 Ų136.378%0.77676%0.76SS**  trans72.5113.2175.6-49.40000114.7
233A35.8Very low33.8Very low97 Ų97136 Ų13680%0.80276%0.759SS**  cis82.3126.617.400000117.3
234V34.1Very low33.7Very low125 Ų125133.7 Ų133.776%0.75875%0.751SS**  trans-152.6116.3153.2-90.20000110.7
235N32.9Very low33.5Very low141 Ų141136.9 Ų136.975%0.75475%0.754SS**  53.3113.7127.9-50.8-5.2000118.9
236S33.3Very low33Very low101 Ų101135.7 Ų135.771%0.70675%0.748SS**  90.5147.278.2-73.20000113.4
237D30.4Very low32.6Very low127 Ų127138.6 Ų138.668%0.67975%0.751SS**  cis-166.3146.8-12.3-111.7-56.3000109.4
238L32.3Very low32.5Very low176 Ų176136.8 Ų136.892%0.92175%0.75SS**  trans-168.1144.3149-86.4-160000109.5
239S31.5Very low32.9Very low113 Ų113138 Ų13879%0.7976%0.755SS**  trans-153.6134-172.7-81.80000116.2
240S28.3Very low32.4Very low119 Ų119141 Ų14183%0.83276%0.762SS**  trans-174.6115.9148.846.70000107.5
241N28.4Very low31.7Very low156 Ų156136.8 Ų136.883%0.83476%0.756SS**  cis88.3154.540-153.7-73.5000113.4
242L27.1Very low31.5Very low135 Ų135135.1 Ų135.171%0.70775%0.75SS**  trans71.1134-166.8-117.164.7000115.1
243E31.8Very low31.1Very low166 Ų166138.1 Ų138.178%0.77675%0.752SS**  cis-162.4147.7-16.8-114.9173.8-168.200106.9
244E31.6Very low30.7Very low154 Ų154136 Ų13672%0.7274%0.739SS**  cis-147.3-113.5-11.3-153.7-131.7167.600113.2
245R30.4Very low30.6Very low180 Ų180138.1 Ų138.168%0.67974%0.741SS**  trans-147.4168.2-170.285.5-168.8-143.8175.28.8109.4
246M29.2Very low30.6Very low118 Ų118137.9 Ų137.958%0.58174%0.735SS**  cis-164177.3-8.9-132-169.5-48.600109.9
247Q29.3Very low30.4Very low163 Ų163138.9 Ų138.976%0.76273%0.733SS**  trans75.8123144.8-77.2153.3-29.800122.3
248S28.9Very low30.7Very low110 Ų110139.7 Ų139.777%0.76974%0.737SS**  trans-92.4179149.2-144.60000108.3
249P48.5Very low30.8Very low104 Ų104138 Ų13868%0.67573%0.729SS**  cis-144.4-169.46.345.9-26.7000116.6
250Q26.7Very low31.7Very low173 Ų173137.4 Ų137.481%0.80873%0.725SS**  trans66111.2152.6-71.1-162.624.700123
251N25.4Very low32.1Very low136 Ų136136 Ų13673%0.72772%0.72SS**  84.8152.3116.8-151.910.6000122.3
252L27.7Very low32.6Very low132 Ų132133 Ų13369%0.69172%0.717SS**  trans76.2123165-69.9169.9000122.7
253H29.8Very low33.1Very low175 Ų175135 Ų13581%0.8172%0.723SS**  trans63.6145.9149.1-85.162.7000120.4
254G27.1Very low33.5Very low53 Ų53131.9 Ų131.955%0.54672%0.72SS.*  cis165169.9-600000113.3
255Q32.6Very low33.7Very low168 Ų168133.5 Ų133.579%0.78573%0.725SS**  trans64.5151175.7-61170.2-8000114.7
256Q32.3Very low34Very low136 Ų136131.5 Ų131.564%0.63673%0.728SS**  cis-157.2175.9-11-118.6168.7-112.100106.3
257D29.5Very low34Very low123 Ų123129.3 Ų129.366%0.65874%0.735SS**  cis-142.8141.512.9-98.1-45.9000108.1
258D36.7Very low34.4Very low143 Ų143128.4 Ų128.477%0.76574%0.735SS**  82.3110.590.6-161.417.5000115.4
259D34.4Very low34.6Very low140 Ų140129.9 Ų129.975%0.74973%0.73SS**  -174139.2126.2-138.7-35.9000113
260S50Low33.7Very low101 Ų101130.5 Ų130.571%0.70673%0.732SS**  trans5147.7154.6-53.20000122.9
261A36.9Very low34.1Very low90 Ų90130.7 Ų130.774%0.74474%0.738SS**  cis-174.8162.8-800000113.3
262A39.3Very low34.2Very low93 Ų93128 Ų12877%0.76974%0.742SS**  trans65.9143.3149.600000121.1
263E36.9Very low34.3Very low176 Ų176130.9 Ų130.982%0.82275%0.752SS**  cis-157.2178.9-4.8-106.9-81.269.600110
264S41Very low34.3Very low102 Ų102127 Ų12771%0.71375%0.745SS**  trans-92.3152.7-154.7-58.80000120
265F34.3Very low34.8Very low188 Ų188130.1 Ų130.183%0.82576%0.758SS**  26.2146125.7-129.6-137.1000119.8
266N37.2Very low34.7Very low138 Ų138130.4 Ų130.474%0.73876%0.763SS**  cis-172.4170.335.1-169.15.1000110.8
267G29Very low34.8Very low71 Ų71127.9 Ų127.973%0.73277%0.766SS**  trans138153.9156.900000119.2
268N38.2Very low35.1Very low145 Ų145128.1 Ų128.178%0.77578%0.777SS**  trans-130.5-170.2174.3-174.436.7000110.1
269E33.9Very low34.7Very low141 Ų141125 Ų12566%0.65978%0.779SS**  trans101.894.4156.7-48.3-69120.100118.9
270T29.5Very low34.4Very low116 Ų116121.9 Ų121.971%0.71278%0.78SS**  trans73.9129.1137.265.80000125.2
271L34.6Very low33.7Very low178 Ų178122.5 Ų122.593%0.93278%0.779SS**  trans60.5124.7139.6-71.8164.6000123.2
272G26.6Very low33.5Very low80 Ų80126.4 Ų126.483%0.82578%0.782SS**  trans-172132.2164.700000116
273Q30.2Very low33Very low191 Ų191126.3 Ų126.389%0.89378%0.776SS**  trans-87.8173177.5-70.2170.12.900111.7
274S29.9Very low33.1Very low94 Ų94127.4 Ų127.466%0.65777%0.772SS**  cis-175.6150.2-22-86.80000109.7
275S37.5Very low32.6Very low119 Ų119128.2 Ų128.283%0.83277%0.765SS**  trans64177.9163.7-51.30000116
276I31.3Very low32.5Very low173 Ų173126.2 Ų126.289%0.88776%0.76SS**  cis-135.5-175.210.6-50.8162.8000109.6
277A33.3Very low32.4Very low84 Ų84122.6 Ų122.669%0.69476%0.755SS**  trans-114.4-175.2-16400000116.8
278S36.8Very low32.6Very low127 Ų127125.8 Ų125.889%0.88876%0.755SS**  trans96.9150.2154.2-57.80000120.6
279G27.2Very low32.6Very low79 Ų79124.8 Ų124.881%0.81476%0.759SS**  trans102.9139.3-176.700000112.7
280G29.8Very low32.7Very low73 Ų73125.1 Ų125.175%0.75377%0.766SS**  cis93.9131.91100000111.6
281T33.5Very low33Very low114 Ų114123.8 Ų123.870%0.69976%0.761SS**  cis-165.8171.712.449.50000111
282H33.8Very low33.1Very low172 Ų172123 Ų12380%0.79676%0.758SS**  trans67.5157157.6-62.8-44.2000117.5
283S29.3Very low33.4Very low92 Ų92122.2 Ų122.264%0.64375%0.75SS**  cis-170.9174.3-12.9-96.40000105.7
284R37.8Very low33.8Very low198 Ų198122.9 Ų122.975%0.74775%0.75SS**  cis-165.4178.1-1.5-115.3166.1160.1-117.6-7.2104.2
285E31.5Very low33.8Very low119 Ų119125.1 Ų125.156%0.55676%0.76SS**  cis-165.6-170.21.3-131.8157.3154.800106.1
286M32.5Very low33.2Very low147 Ų147122.5 Ų122.572%0.72475%0.752SS**  cis-156.8140.4-4.717157.599.600108.8
287G34.7Very low33.3Very low62 Ų62122.4 Ų122.464%0.63975%0.752SS**  trans74.7154.3143.900000121.1
288D33.5Very low33Very low138 Ų138126.7 Ų126.774%0.73876%0.758SS**  cis-163.3151.4-13.3-151.6-19.8000112
289S36.6Very low32.5Very low123 Ų123128.8 Ų128.886%0.8675%0.753SS**  trans177.5119.3159.3-81.30000113.1
290N36.7Very low32.6Very low149 Ų149131.9 Ų131.980%0.79775%0.751SS**  trans-96173.3-179.3-101.2-16.2000112.7
291S36.8Very low32.6Very low87 Ų87136.9 Ų136.961%0.60876%0.755SS**  cis-175.5153.3-14.250.50000111.3
292D35.8Very low32.3Very low162 Ų162139.7 Ų139.787%0.86676%0.76SS**  trans35.5160.9141.8-68.8-75.1000125.1
293G32.2Very low33.5Very low63 Ų63136.4 Ų136.465%0.64975%0.754SS**  cis149.3178-5.400000115.5
294K38.5Very low33.5Very low206 Ų206139.2 Ų139.290%0.89676%0.761SS**  trans69.4151.2177.6-93.9175174.21690118.1
295T31.2Very low33.2Very low141 Ų141136.9 Ų136.987%0.86576%0.763SS**  cis-109.3-166.85.654.60000111.9
296G25Very low33.1Very low64 Ų64138.7 Ų138.766%0.6678%0.776SS**  cis-161-144.99.600000113.5
297L32.3Very low33.5Very low170 Ų170136.9 Ų136.989%0.8978%0.778SS**  trans-146.5146.2-170.4-66.1170.3000114
298E26.8Very low33.2Very low175 Ų175142 Ų14282%0.81879%0.79SS**  157.2155.6113.3-79.4-149.4123.800114.8
299Q26.7Very low33.2Very low170 Ų170140 Ų14079%0.79479%0.788SS**  trans72.393.6165.4-69-179.93.600121.9
300D30.1Very low33.8Very low145 Ų145139.2 Ų139.278%0.77578%0.779SS**  56.5132.8110.1-73.6-129.1000125.7
301E29.8Very low33.5Very low178 Ų178139.8 Ų139.883%0.83278%0.781SS**  trans77.3144.2142.9-63.9-75.569.300123.2
302Q27.5Very low33.2Very low173 Ų173140.9 Ų140.981%0.80879%0.789SS**  trans-136.1171.5176.3-108.6-167.7-3.500107.7
303P59.3Low32.8Very low102 Ų102137 Ų13766%0.66278%0.78SS**  cis-131.6-144.7-19.936-15.3000111.4
304L28.4Very low32.6Very low152 Ų152142.7 Ų142.780%0.79679%0.789SS**  trans99.585161.6-54.3179.2000120.5
305N30.7Very low32Very low148 Ų148139.8 Ų139.879%0.79178%0.783SS**  53.5148.7110-138.9-9000123.4
306L30Very low31.8Very low158 Ų158139.1 Ų139.183%0.82778%0.779SS**  trans80.8166.5167.3-57-178.4000119.2
307S41.3Very low31.8Very low109 Ų109142 Ų14276%0.76279%0.789SS**  trans-137.9154.4-148.956.40000113.1
308D27.4Very low31.5Very low169 Ų169142.3 Ų142.390%0.90479%0.786SS**  trans-156.8173.3153.8-134.7-31.8000114.3
309S33.1Very low31.6Very low97 Ų97143.1 Ų143.168%0.67878%0.783SS**  trans-149.8150.2-178.7-171.50000111.8
310P49.8Very low31.5Very low105 Ų105146.1 Ų146.168%0.68279%0.787SS**  -156.8149.7126.835-15.8000118.8
311L30.7Very low31.8Very low161 Ų161144.5 Ų144.584%0.84378%0.777SS**  trans63.8148.8138-66.9171.5000120.9
312S31.1Very low31.8Very low111 Ų111143.3 Ų143.378%0.77678%0.776SS**  cis-166.8-171.6-12.5-161.50000112.1
313A27.3Very low32Very low81 Ų81140.8 Ų140.867%0.66977%0.768SS**  trans82.2114.2178.300000116.3
314Q27.6Very low30.7Very low181 Ų181144.7 Ų144.785%0.84678%0.777SS**  66.4138.484.1-73.3-169.4-12.900114.6
315L25.7Very low30.7Very low145 Ų145144.1 Ų144.176%0.75978%0.775SS**  cis-150.6169.619.7-139.5148.2000112.2
316T27.6Very low30.8Very low128 Ų128142 Ų14279%0.78577%0.772SS**  trans-98.1154.5-17751.60000114.9
317S24Very low30.9Very low123 Ų123142 Ų14286%0.8677%0.773SS**  trans-161.7163.5150-161.40000113
318E27.7Very low30.3Very low178 Ų178139.8 Ų139.883%0.83277%0.767SS**  trans-115.9168.1-172.7-54.8172.791.200113.8
319Y27.9Very low30.6Very low192 Ų192141.7 Ų141.775%0.75377%0.767SS**  trans52.2114.2141.4-150.9-88.5000121.2I321Y319-I321 HydrophobicContact CE1-CD1 4.36Å; Y319-I321 WeakPolarHBondContact OH-CD1 3.49Å
320R25Very low30.4Very low232 Ų232143 Ų14388%0.87577%0.766SS**  -155.9149.1129.6-132.4-172.9178.61202.6114.6
321I36.9Very low29.8Very low112 Ų112148 Ų14857%0.57478%0.778SS**  trans-89.1144.5162.1-68.1161.5000107.8Y319Y319-I321 HydrophobicContact CE1-CD1 4.36Å; Y319-I321 WeakPolarHBondContact OH-CD1 3.49Å
322D28.2Very low29.9Very low153 Ų153149 Ų14982%0.81877%0.771SS**  -169.4165.5127.6-110.9-53.5000114
323D32.2Very low29.9Very low119 Ų119154 Ų15464%0.63678%0.779SS**  trans-96.5151-167-171.1-86.8000113.1
324H31.9Very low30Very low184 Ų184156 Ų15685%0.85278%0.779SS**  -172.6123.6129.8-95.73.2000118.4
325N29.4Very low30Very low140 Ų140155.6 Ų155.675%0.74978%0.781SS**  trans-67.1145167138.471000114.5
326S32.4Very low30.2Very low105 Ų105155.3 Ų155.373%0.73478%0.78SS**  trans-166.2119.5137.464.60000115.7
327N31.3Very low30.2Very low158 Ų158156.6 Ų156.685%0.84578%0.78SS**  trans50.9135130.1-151.311.1000120.5
328G28.9Very low30.3Very low61 Ų61155.1 Ų155.163%0.62977%0.77SS**  cis-168.4-168.28.600000110.5
329K33.7Very low30.2Very low209 Ų209153.8 Ų153.891%0.90977%0.769SS**  cis-152.7153.534.3-68.4165.7179.6168.30112
330N29.3Very low30.4Very low125 Ų125153.2 Ų153.267%0.66878%0.778SS**  trans-83.1156.7176.3-79.1-46.8000114.6Y332N330-Y332 HydrophobicContact CB-CD2 4.07Å; N330-Y332 HydrophobicContact CB-CE2 4Å
331K37.9Very low30.5Very low211 Ų211151 Ų15192%0.91777%0.774SS**  trans-137.3127.6136.3-77.8-164.1177-179.50110.2
332Y31.3Very low30.2Very low180 Ų180153.6 Ų153.671%0.70679%0.786SS**  trans-91.1157-177.4-80.9-104.7000112.6N330N330-Y332 HydrophobicContact CB-CD2 4.07Å; N330-Y332 HydrophobicContact CB-CE2 4Å
333K32.6Very low30.2Very low216 Ų216153.7 Ų153.794%0.93978%0.781SS**  -153.4154.2113.5-107.4173.6-176-175.30110.8
334N28.2Very low30Very low125 Ų125156.4 Ų156.467%0.66878%0.783SS**  trans-148.8138.5-170-172.6-32.6000107.6
335L27.8Very low29.9Very low171 Ų171154.7 Ų154.790%0.89578%0.775SS**  trans-146.3163.1173.4-84.1-177.9000110.3
336L30.3Very low29.8Very low140 Ų140152.2 Ų152.273%0.73378%0.775SS**  trans-126.9158.2-151.7-73.8161.3000113
337I26.5Very low29.8Very low154 Ų154158.7 Ų158.779%0.7978%0.783SS**  trans70145.9151.8-69.2158.1000113.7
338S27.5Very low29.8Very low93 Ų93158.6 Ų158.665%0.6578%0.777SS**  cis-144.2168.718.1-0.60000113.9
339D24.6Very low29.7Very low150 Ų150162.7 Ų162.780%0.80279%0.785SS**  trans23.2132.5146.3-57.5-77.7000122.6
340L32.3Very low29.3Very low179 Ų179155.9 Ų155.994%0.93777%0.774SS**  -145.9148.3117.3-111.9179.8000113
341K27.6Very low29.3Very low186 Ų186155.3 Ų155.381%0.80978%0.78SS**  trans-84.4156.9-157.5175.2-174.2168.9-163.80115.4
342M30.4Very low29Very low166 Ų166154.5 Ų154.582%0.81878%0.776SS**  trans-78.3144.1176165.8-164.5-68.600115.3
343E27.5Very low29.1Very low155 Ų155151.4 Ų151.472%0.72478%0.781SS**  trans-148.3135.1141.2-89-160.69600107.8
344R29.3Very low29.6Very low177 Ų177146.8 Ų146.867%0.66877%0.773SS**  81.2128.958.6-171.2-163.9-79.1-80.4-2111.2
345E28.2Very low29.6Very low147 Ų147144.4 Ų144.469%0.68777%0.77SS**  cis-150.7138.9-7.7-107.3154.2174.200106.7
346A28.8Very low29.4Very low89 Ų89144.7 Ų144.774%0.73677%0.767SS**  68.4100.180.400000117.4
347R31.5Very low29.3Very low241 Ų241142.4 Ų142.491%0.90976%0.763SS**  trans170.2125.7144.3-95.2161-175-158.4-0108.4
348E30.9Very low29.3Very low155 Ų155145.3 Ų145.372%0.72477%0.765SS**  cis100.711630.6-173.8175.3-170.200113.7
349N27.5Very low29.3Very low148 Ų148145.3 Ų145.379%0.79177%0.765SS**  trans56.3143.5163-56.4-24.7000119.8
350G26.1Very low29.4Very low66 Ų66142.3 Ų142.368%0.6876%0.756SS**  cis155.2171.4-10.500000114.4
351S29.4Very low29.2Very low113 Ų113143.5 Ų143.579%0.7975%0.749SS**  trans79.4128.3159.2-62.60000122.6
352K29.8Very low29.1Very low194 Ų194141.8 Ų141.884%0.84375%0.749SS**  trans78.1115.3140-68.6167.9-176.5177.50122.3
353S35.1Very low29.3Very low114 Ų114138.7 Ų138.780%0.79774%0.744SS**  trans-72.7157.1139.4-35.90000110.6
354P42.3Very low29.4Very low119 Ų119134.6 Ų134.677%0.77374%0.743SS**  -133.515888.211.212.5000112.4
355A27.6Very low29.5Very low75 Ų75136.3 Ų136.362%0.6276%0.756SS**  cis10414638.500000112.8
356H24.6Very low29.4Very low177 Ų177136.5 Ų136.582%0.81976%0.761SS**  trans72.1154.3-179.4-52-67.4000116
357S27.2Very low29.7Very low93 Ų93141.1 Ų141.165%0.6577%0.768SS**  cis-169.7171.5-19.9-97.40000108.6
358Y28Very low29.6Very low215 Ų215135.2 Ų135.284%0.84376%0.763SS**  trans67.8144.7172.6122-83.1000115.1
359S26.5Very low29.6Very low93 Ų93134.6 Ų134.665%0.6577%0.77SS**  cis124.9167.45.9-176.40000109.6
360S27.4Very low29.7Very low87 Ų87134.5 Ų134.561%0.60877%0.769SS**  trans82.7171.7-177.1-148.90000116.7
361Y28.1Very low30.1Very low203 Ų203142.7 Ų142.780%0.79678%0.779SS**  trans-136178.6-150.1-29.9-92000111.8
362D26Very low30.1Very low150 Ų150140.7 Ų140.780%0.80278%0.777SS**  trans90.4132.8151.2-153.337.7000120.9
363S34.5Very low30.2Very low101 Ų101136 Ų13671%0.70678%0.775SS**  trans-7.8133.4160.2-500000121.9
364G28.8Very low30Very low69 Ų69138.5 Ų138.571%0.71177%0.774SS**  109.8130.7103.800000119
365K30.5Very low29.5Very low214 Ų214140.5 Ų140.593%0.9378%0.778SS**  trans63.1156.6173.3-61-177.7173.3-178.30113.5
366N27.3Very low29.9Very low150 Ų150143.7 Ų143.780%0.80278%0.784SS**  cis-145.4-175.11747.412.4000111.8
367E34.2Very low30.3Very low187 Ų187140.5 Ų140.587%0.87478%0.781SS**  trans-78.8148.7178.3-60.4145.481.100113.1
368S30.9Very low30.4Very low117 Ų117143.7 Ų143.782%0.81879%0.79SS**  trans-150.3103.1155.968.30000112.8
369V30.8Very low30.6Very low141 Ų141140.8 Ų140.886%0.85579%0.79SS**  trans-19.9129.1156.7-177.60000116
370D29.3Very low31.2Very low146 Ų146146.9 Ų146.978%0.78180%0.798SS**  -172.8160.3121.1-170.931.6000111.3
371R33.4Very low31.6Very low238 Ų238146 Ų14690%0.89880%0.803SS**  trans75.8130.9-171.3-53.3-178.9177.1-159.2-1.3115.3
372G29.6Very low32.1Very low72 Ų72142.4 Ų142.474%0.74280%0.797SS**  cis157.7108.4-11.100000114.7
373A32.9Very low33.2Very low96 Ų96144 Ų14479%0.79380%0.8SS**  trans60.1125.416700000117.8
374E31.1Very low33.9Very low165 Ų165146.6 Ų146.677%0.77181%0.806SS**  trans-80.6156.517751.9-90.880.700114.4
375D30.9Very low35Very low162 Ų162152.2 Ų152.287%0.86681%0.814SS**  trans-136.7149.3142.6-169.513.1000108
376L36.7Very low36Very low141 Ų141150.5 Ų150.574%0.73882%0.815SS**  trans-133.1134.8-166.2-72.1173.3000112.3
377S31.4Very low37.3Very low110 Ų110149.9 Ų149.977%0.76981%0.811SS**  trans-155.3110.9158.9-84.40000112.2
378L30.6Very low38.5Very low161 Ų161148.2 Ų148.284%0.84380%0.803SS**  trans38.8132.9140.3-46.9177.3000118.3
379N31.5Very low39.5Very low154 Ų154151.4 Ų151.482%0.82481%0.805SS**  cis-160.2177.836.1-151.51.3000113.3
380R38.3Very low40.4Very low221 Ų221152.6 Ų152.683%0.83481%0.807SS**  trans-74.1164.1-175.6-73.1-176.6172.7-168.5-4.2116.9
381G36.2Very low41.8Very low69 Ų69154.6 Ų154.671%0.71181%0.811SS**  trans153.176.1159.800000109.4
382D40.1Very low42.7Very low126 Ų126149.8 Ų149.867%0.67480%0.803SS**  87.1128.871.9-79-40.9000113.5
383E47.2Very low43.7Very low184 Ų184152.5 Ų152.586%0.8680%0.801SS**  trans74.8136.8161.5-64.4170.6-178.900119.5
384D50.5Low44.7Very low156 Ų156153 Ų15383%0.83480%0.798SS**  trans-107.2-175.7-170.6-59.9-87.9000112.1
385E51.7Low45.7Very low187 Ų187152.9 Ų152.987%0.87480%0.798SS**  trans67.295.2162.6-62.9-177.5-172.200118.6
386D51.7Low46.5Very low178 Ų178152.4 Ų152.495%0.95279%0.788SS**  trans-145.6143.6132.4-113.6-32000108.4
387D54.3Low47.1Very low136 Ų136150.8 Ų150.873%0.72778%0.784SS**  trans-116.7167.9-172.2-161.5-3.1000111.4
388H58.8Low47.7Very low152 Ų152151.8 Ų151.870%0.70478%0.781SS**  trans82.3137167.5-65.6-67.5000121.4
389E52.7Low48.6Very low184 Ų184151.4 Ų151.486%0.8678%0.775SS**  trans67.482.9149.5-70.6177.7-151.500120
390D49.7Very low49.7Very low167 Ų167148.9 Ų148.989%0.89377%0.765SS**  trans-147.873.7152.6-138.4-15.4000112.1
391H58Low50.7Low188 Ų188143.8 Ų143.887%0.8775%0.754SS**  trans-152.370.2178.6-168.15.9000114.9
392D52.1Low52.2Low137 Ų137142.2 Ų142.273%0.73374%0.737SS**  trans-157.27.8152.2-141.92.9000118.4S394D392-S394 VanDerWaalsContact C-N 3.33Å; D392-S394 PolarHBondContact O-N 3.19Å; D392-S394 VanDerWaalsContact O-N 3.15Å
393D52.1Low53.8Low129 Ų129139.9 Ų139.969%0.6973%0.728SS**THydrogen-bonded Turntrans-91.844.7-175.4-148.512.7000114.2
394S52.4Low55.4Low105 Ų105135.5 Ų135.573%0.73471%0.707SS**THydrogen-bonded Turntrans-117.5-19.8178.1-80.90000115.9D392D392-S394 VanDerWaalsContact C-N 3.33Å; D392-S394 PolarHBondContact O-N 3.19Å; D392-S394 VanDerWaalsContact O-N 3.15Å
395E52.4Low57.2Low163 Ų163130.4 Ų130.476%0.76269%0.687SS**SBendtrans-78.2-29.4-179.6-61.4-126.3125.100112.7V397 N398E395-V397 VanDerWaalsContact C-N 3.31Å; E395-V397 PolarHBondContact O-N 3.33Å; E395-N398 PolarHBondContact O-N 3.37Å
396K48.9Very low59Low152 Ų152123.1 Ų123.166%0.66165%0.653SS**THydrogen-bonded Turntrans-66.4-21.1-166.6-162.6171.9-175.1174.30115.9
397V47.8Very low60.9Low107 Ų107118.1 Ų118.165%0.64862%0.62SS**Hα-helixtrans-79.1-30.2-175.9-1710000111.9E395 E399E395-V397 VanDerWaalsContact C-N 3.31Å; E395-V397 PolarHBondContact O-N 3.33Å; V397-E399 PolarHBondContact O-N 3.11Å
398N44.5Very low62.7Low132 Ų132114.1 Ų114.171%0.70660%0.599SS**Hα-helixtrans-73.2-26.5-173.5-75.9-28.1000114.2E395 G402E395-N398 PolarHBondContact O-N 3.37Å; N398-G402 PolarHBondContact O-N 3.27Å
399E48.7Very low64.3Low153 Ų153110.9 Ų110.972%0.71558%0.583SS**Hα-helixtrans-71.3-36.2-175.2-165.2176.8-171.200112.3V397 G402 V403V397-E399 PolarHBondContact O-N 3.11Å; E399-G402 PolarHBondContact O-N 3.43Å; E399-V403 PolarHBondContact O-N 3.42Å
400T55.4Low66.3Low100 Ų100102.1 Ų102.161%0.61354%0.542SS*.Hα-helixtrans-67.1-42.3-177.9-61.10000112.2G402 V403 E404T400-G402 VanDerWaalsContact C-N 3.25Å; T400-G402 PolarHBondContact O-N 3.09Å; T400-V403 PolarHBondContact O-N 3.42Å; T400-E404 PolarHBondContact O-N 3.26Å
401D59.2Low68.4Low115 Ų11594.3 Ų94.362%0.61550%0.5SS*.Hα-helixtrans-63-32.8175.4-93.927.4000112.1E404 A405D401-E404 PolarHBondContact O-N 3.4Å; D401-A405 WeakPolarHBondContact O-CB 3.29Å; D401-A405 PolarHBondContact O-N 3.41Å
402G67.3Low70.2Confident35 Ų3586.9 Ų86.936%0.36147%0.467SS..Hα-helixtrans-58.8-52.4171.500000111.8N398 E399 T400 E404 A405 E406N398-G402 PolarHBondContact O-N 3.27Å; E399-G402 PolarHBondContact O-N 3.43Å; T400-G402 VanDerWaalsContact C-N 3.25Å; T400-G402 PolarHBondContact O-N 3.09Å; G402-E404 PolarHBondContact O-N 3.24Å; G402-A405 PolarHBondContact O-N 2.9Å; G402-E406 WeakPolarHBondContact O-CG 3.22Å; G402-E406 PolarHBondContact O-N 3.1Å; G402-E406 VanDerWaalsContact O-N 3.08Å
403V74.1Confident72.2Confident78 Ų7881.5 Ų81.547%0.47344%0.437SS..Hα-helixtrans-64-38.3178.8-179.70000111.8E399 T400 E406 R407E399-V403 PolarHBondContact O-N 3.42Å; T400-V403 PolarHBondContact O-N 3.42Å; V403-E406 PolarHBondContact O-N 3.02Å; V403-R407 WeakPolarHBondContact O-CB 3.37Å; V403-R407 PolarHBondContact O-N 3.09Å
404E81.6Confident74.2Confident91 Ų9175.3 Ų75.343%0.42540%0.404SS..Hα-helixtrans-60.7-49.4173-167.1-169175.400110.6T400 D401 G402 E406 R407 L408 Y451T400-E404 PolarHBondContact O-N 3.26Å; D401-E404 PolarHBondContact O-N 3.4Å; G402-E404 PolarHBondContact O-N 3.24Å; E404-E406 PolarHBondContact O-N 2.85Å; E404-E406 VanDerWaalsContact O-N 3.17Å; E404-R407 PolarHBondContact O-N 3.38Å; E404-L408 WeakPolarHBondContact O-CB 3.36Å; E404-L408 PolarHBondContact O-N 3.29Å; E404-Y451 VanDerWaalsContact CD-OH 3.31Å; E404-Y451 WeakPolarHBondContact CG-OH 3.45Å; E404-Y451 PolarHBondContact O-OH 3.31Å; E404-Y451 WeakPolarHBondContact OE1-CE1 3.37Å; E404-Y451 PolarHBondContact OE1-OH 2.69Å
405A87.1Confident76.3Confident49 Ų4970.3 Ų70.341%0.40537%0.369SS..Hα-helixtrans-58.2-33.1-179.300000112.4D401 G402 K409D401-A405 WeakPolarHBondContact O-CB 3.29Å; D401-A405 PolarHBondContact O-N 3.41Å; G402-A405 PolarHBondContact O-N 2.9Å; A405-K409 WeakPolarHBondContact O-CG 3.4Å; A405-K409 PolarHBondContact O-N 3.41Å; A405-K409 VanDerWaalsContact O-N 3.08Å
406E90.4Very high78.3Confident34 Ų3465.5 Ų65.516%0.15934%0.344CS..Hα-helixtrans-79.1-41.3177.4-65.7-164.5124.100113.7G402 V403 E404 L408 K409 A410 S486 V488 A489G402-E406 WeakPolarHBondContact O-CG 3.22Å; G402-E406 PolarHBondContact O-N 3.1Å; G402-E406 VanDerWaalsContact O-N 3.08Å; V403-E406 PolarHBondContact O-N 3.02Å; E404-E406 PolarHBondContact O-N 2.85Å; E404-E406 VanDerWaalsContact O-N 3.17Å; E406-L408 PolarHBondContact O-N 3.1Å; E406-K409 HydrophobicContact CG-CD 4.36Å; E406-K409 WeakPolarHBondContact O-CB 3.47Å; E406-K409 PolarHBondContact O-N 3.06Å; E406-K409 IonicContact OE1-NZ 3.1Å; E406-A410 PolarHBondContact O-N 2.93Å; E406-S486 WeakPolarHBondContact OE1-CB 3.26Å; E406-S486 PolarHBondContact OE1-OG 2.95Å; E406-V488 HydrophobicContact CB-CG1 4.48Å; E406-V488 WeakPolarHBondContact OE2-CB 3.49Å; E406-V488 WeakPolarHBondContact OE2-CG1 3.3Å; E406-A489 HydrophobicContact CB-CB 4.22Å; E406-A489 WeakPolarHBondContact O-CB 3.25Å
407R91.9Very high80.4Confident73 Ų7362.3 Ų62.328%0.27533%0.334SS..Hα-helixtrans-57.7-36.6169.1-168.5176.7-17890.8-12.3111.1V403 E404 A410 F411 F448 E450 Y451 I492V403-R407 WeakPolarHBondContact O-CB 3.37Å; V403-R407 PolarHBondContact O-N 3.09Å; E404-R407 PolarHBondContact O-N 3.38Å; R407-A410 PolarHBondContact O-N 3.4Å; R407-F411 WeakPolarHBondContact O-CB 3.42Å; R407-F411 PolarHBondContact O-N 2.81Å; R407-F448 HydrophobicContact CG-CD1 3.93Å; R407-F448 HydrophobicContact CG-CE1 4.13Å; R407-E450 IonicContact CZ-OE1 2.73Å; R407-E450 IonicContact CZ-OE2 3.49Å; R407-E450 IonicContact NE-OE1 3.73Å; R407-E450 PolarHBondContact NE-OE1 2.81Å; R407-E450 IonicContact NE-OE2 3.66Å; R407-E450 PolarHBondContact NE-OE2 3Å; R407-E450 IonicContact NH2-OE1 2.8Å; R407-E450 PolarHBondContact NH2-OE1 3.11Å; R407-E450 IonicContact NH2-OE2 2.72Å; R407-E450 PolarHBondContact NH2-OE2 3.33Å; R407-Y451 HydrophobicContact CG-CE2 4.25Å; R407-I492 HydrophobicContact CB-CD1 4.46Å
408L92.4Very high82.7Confident53 Ų5358.7 Ų58.728%0.27731%0.309SS..Hα-helixtrans-68.3-39.1173-173.860.1000112.5E404 E406 F411 N412 Y451E404-L408 WeakPolarHBondContact O-CB 3.36Å; E404-L408 PolarHBondContact O-N 3.29Å; E406-L408 PolarHBondContact O-N 3.1Å; L408-F411 HydrophobicContact CD1-CD1 4.13Å; L408-N412 WeakPolarHBondContact O-CB 3.22Å; L408-N412 PolarHBondContact O-N 2.86Å; L408-N412 PolarHBondContact O-ND2 3Å; L408-Y451 HydrophobicContact CB-CE2 3.98Å; L408-Y451 HydrophobicContact CD1-CD1 4.32Å; L408-Y451 HydrophobicContact CD1-CD2 4.15Å; L408-Y451 HydrophobicContact CD1-CE1 4.09Å; L408-Y451 HydrophobicContact CD1-CE2 3.89Å; L408-Y451 HydrophobicContact CD1-CG 4.36Å
409K91.8Very high85.1Confident83 Ų8352.4 Ų52.436%0.36128%0.276SS..Hα-helixtrans-59.6-48.6171.6-67.9165.7-155.5168.60110.5A405 E406 N412 M413 S486 A489A405-K409 WeakPolarHBondContact O-CG 3.4Å; A405-K409 PolarHBondContact O-N 3.41Å; A405-K409 VanDerWaalsContact O-N 3.08Å; E406-K409 HydrophobicContact CG-CD 4.36Å; E406-K409 WeakPolarHBondContact O-CB 3.47Å; E406-K409 PolarHBondContact O-N 3.06Å; E406-K409 IonicContact OE1-NZ 3.1Å; K409-N412 CarbonylContact O-C 3.27Å; K409-N412 WeakPolarHBondContact O-CB 3.46Å; K409-N412 PolarHBondContact O-N 3.39Å; K409-N412 VanDerWaalsContact O-N 3.14Å; K409-M413 PolarHBondContact O-N 3.16Å; K409-M413 VanDerWaalsContact O-N 3.08Å; K409-S486 PolarHBondContact NZ-OG 2.81Å; K409-A489 HydrophobicContact CB-CB 3.79Å; K409-A489 HydrophobicContact CD-CB 4.18Å
410A93.8Very high87.3Confident0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-59-51.2179.200000112E406 R407 N412 M413 F414 F448 A489 I492 L493E406-A410 PolarHBondContact O-N 2.93Å; R407-A410 PolarHBondContact O-N 3.4Å; A410-N412 VanDerWaalsContact C-N 3.27Å; A410-N412 PolarHBondContact O-N 2.97Å; A410-M413 WeakPolarHBondContact O-CA 3.49Å; A410-M413 PolarHBondContact O-N 3.32Å; A410-F414 PolarHBondContact O-N 3.11Å; A410-F448 HydrophobicContact CB-CE1 3.97Å; A410-F448 HydrophobicContact CB-CZ 4Å; A410-A489 WeakPolarHBondContact CB-O 3.32Å; A410-I492 HydrophobicContact CB-CB 3.9Å; A410-I492 HydrophobicContact CB-CG2 3.56Å; A410-L493 HydrophobicContact CB-CB 4.31Å
411F95.5Very high89.1Confident3 Ų349.3 Ų49.31%0.01326%0.256CS..Hα-helixtrans-53.5-42.7172.5166.5-100.7000112.6R407 L408 M413 F414 V415 C444 F448 Y451 R454 A455 R458R407-F411 WeakPolarHBondContact O-CB 3.42Å; R407-F411 PolarHBondContact O-N 2.81Å; L408-F411 HydrophobicContact CD1-CD1 4.13Å; F411-M413 PolarHBondContact O-N 2.98Å; F411-F414 PolarHBondContact O-N 3.28Å; F411-V415 HydrophobicContact CD2-CG2 4Å; F411-V415 HydrophobicContact CE2-CG2 3.68Å; F411-V415 HydrophobicContact CZ-CG2 3.98Å; F411-V415 WeakPolarHBondContact O-CG2 3.42Å; F411-V415 PolarHBondContact O-N 2.77Å; F411-C444 HydrophobicContact CE2-CB 4.39Å; F411-F448 HydrophobicContact CB-CB 4.4Å; F411-F448 HydrophobicContact CB-CD1 3.78Å; F411-F448 HydrophobicContact CB-CD2 4.1Å; F411-F448 HydrophobicContact CB-CE1 4.02Å; F411-F448 HydrophobicContact CB-CE2 4.36Å; F411-F448 HydrophobicContact CB-CG 3.82Å; F411-F448 HydrophobicContact CB-CZ 4.32Å; F411-F448 HydrophobicContact CD2-CB 3.81Å; F411-F448 AromaticContact CD2-CD2 3.92Å; F411-F448 HydrophobicContact CD2-CD2 3.92Å; F411-F448 AromaticContact CD2-CG 3.88Å; F411-F448 HydrophobicContact CD2-CG 3.88Å; F411-F448 HydrophobicContact CG-CB 4.48Å; F411-F448 HydrophobicContact CG-CG 4.32Å; F411-Y451 HydrophobicContact CB-CD2 3.69Å; F411-Y451 HydrophobicContact CB-CE2 4.31Å; F411-Y451 AromaticContact CD1-CD2 3.99Å; F411-Y451 HydrophobicContact CD1-CD2 3.99Å; F411-Y451 HydrophobicContact CD1-CG 4.2Å; F411-Y451 HydrophobicContact CD2-CD2 4.16Å; F411-Y451 HydrophobicContact CD2-CG 4.43Å; F411-Y451 HydrophobicContact CE1-CG 4.46Å; F411-Y451 AromaticContact CG-CD2 3.68Å; F411-Y451 HydrophobicContact CG-CD2 3.68Å; F411-Y451 HydrophobicContact CG-CG 4.18Å; F411-R454 HydrophobicContact CE1-CB 4.38Å; F411-R454 HydrophobicContact CZ-CB 4.21Å; F411-A455 HydrophobicContact CE2-CB 4.22Å; F411-A455 HydrophobicContact CZ-CB 4.3Å; F411-R458 HydrophobicContact CE1-CB 4.38Å; F411-R458 HydrophobicContact CE1-CG 4.35Å; F411-R458 HydrophobicContact CZ-CB 4.36Å
412N94.1Very high90.6Very high32 Ų3246.4 Ų46.417%0.17124%0.241CC..Hα-helixtrans-68.5-19.2178.3-79.9-64.8000113.4L408 K409 A410 R416 R458L408-N412 WeakPolarHBondContact O-CB 3.22Å; L408-N412 PolarHBondContact O-N 2.86Å; L408-N412 PolarHBondContact O-ND2 3Å; K409-N412 CarbonylContact O-C 3.27Å; K409-N412 WeakPolarHBondContact O-CB 3.46Å; K409-N412 PolarHBondContact O-N 3.39Å; K409-N412 VanDerWaalsContact O-N 3.14Å; A410-N412 VanDerWaalsContact C-N 3.27Å; A410-N412 PolarHBondContact O-N 2.97Å; N412-R416 WeakPolarHBondContact O-CG 3.12Å; N412-R416 PolarHBondContact O-NH1 2.89Å; N412-R458 VanDerWaalsContact OD1-CD 3.25Å; N412-R458 WeakPolarHBondContact OD1-CD 3.49Å; N412-R458 PolarHBondContact OD1-NE 3.23Å; N412-R458 PolarHBondContact OD1-NH1 2.84Å; N412-R458 PolarHBondContact OD1-NH2 3.42Å
413M93.9Very high92Very high24 Ų2445.2 Ų45.212%0.11823%0.226CC..Hα-helixtrans-88.3-45.8170.3-72.5-56.3161.200112.4K409 A410 F411 V415 R416 L417 I480 T485 L493K409-M413 PolarHBondContact O-N 3.16Å; K409-M413 VanDerWaalsContact O-N 3.08Å; A410-M413 WeakPolarHBondContact O-CA 3.49Å; A410-M413 PolarHBondContact O-N 3.32Å; F411-M413 PolarHBondContact O-N 2.98Å; M413-V415 VanDerWaalsContact C-N 3.29Å; M413-V415 PolarHBondContact O-N 3.02Å; M413-R416 WeakPolarHBondContact O-CA 3.46Å; M413-R416 WeakPolarHBondContact O-CB 3.2Å; M413-R416 PolarHBondContact O-N 3.44Å; M413-L417 PolarHBondContact O-N 3.32Å; M413-I480 HydrophobicContact CE-CG2 4.22Å; M413-I480 HydrophobicContact SD-CD1 3.85Å; M413-T485 HydrophobicContact CE-CG2 4.42Å; M413-T485 HydrophobicContact CG-CG2 3.93Å; M413-L493 HydrophobicContact CB-CD1 4.03Å; M413-L493 HydrophobicContact CB-CD2 3.61Å; M413-L493 HydrophobicContact CB-CG 4.45Å; M413-L493 HydrophobicContact CG-CD2 4.35Å
414F95.3Very high92.9Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-51.6-48176.1-173.2-91.9000111.5A410 F411 R416 L417 F418 Q447 F448 L493 A496 E500A410-F414 PolarHBondContact O-N 3.11Å; F411-F414 PolarHBondContact O-N 3.28Å; F414-R416 PolarHBondContact O-N 3.22Å; F414-L417 PolarHBondContact O-N 2.7Å; F414-F418 HydrophobicContact CD1-CD2 4.13Å; F414-F418 HydrophobicContact CD1-CE2 4.49Å; F414-F418 HydrophobicContact CD2-CD2 4.04Å; F414-F418 AromaticContact CD2-CE2 3.77Å; F414-F418 HydrophobicContact CD2-CE2 3.77Å; F414-F418 AromaticContact CE1-CD2 3.93Å; F414-F418 HydrophobicContact CE1-CD2 3.93Å; F414-F418 HydrophobicContact CE1-CE2 4.05Å; F414-F418 HydrophobicContact CE1-CG 4.28Å; F414-F418 HydrophobicContact CE1-CZ 4.48Å; F414-F418 AromaticContact CE2-CD2 3.85Å; F414-F418 HydrophobicContact CE2-CD2 3.85Å; F414-F418 AromaticContact CE2-CE2 3.25Å; F414-F418 HydrophobicContact CE2-CE2 3.25Å; F414-F418 AromaticContact CE2-CZ 3.82Å; F414-F418 HydrophobicContact CE2-CZ 3.82Å; F414-F418 HydrophobicContact CG-CD2 4.17Å; F414-F418 HydrophobicContact CG-CE2 4.36Å; F414-F418 AromaticContact CZ-CD2 3.78Å; F414-F418 HydrophobicContact CZ-CD2 3.78Å; F414-F418 HydrophobicContact CZ-CE1 4.24Å; F414-F418 AromaticContact CZ-CE2 3.41Å; F414-F418 HydrophobicContact CZ-CE2 3.41Å; F414-F418 VanDerWaalsContact CZ-CE2 3.41Å; F414-F418 HydrophobicContact CZ-CG 4.37Å; F414-F418 AromaticContact CZ-CZ 3.67Å; F414-F418 HydrophobicContact CZ-CZ 3.67Å; F414-F418 WeakPolarHBondContact O-CD2 3.37Å; F414-F418 PolarHBondContact O-N 3.39Å; F414-F418 VanDerWaalsContact O-N 3.09Å; F414-Q447 HydrophobicContact CE1-CG 4.38Å; F414-Q447 HydrophobicContact CE2-CG 3.97Å; F414-Q447 HydrophobicContact CZ-CB 4.37Å; F414-Q447 HydrophobicContact CZ-CG 3.71Å; F414-F448 HydrophobicContact CB-CE2 3.74Å; F414-F448 HydrophobicContact CB-CZ 4.38Å; F414-F448 HydrophobicContact CD1-CD2 4.39Å; F414-F448 HydrophobicContact CD1-CE2 4.1Å; F414-F448 HydrophobicContact CD2-CE2 4.09Å; F414-F448 HydrophobicContact CG-CD2 4.45Å; F414-F448 AromaticContact CG-CE2 3.72Å; F414-F448 HydrophobicContact CG-CE2 3.72Å; F414-L493 HydrophobicContact CB-CD1 3.78Å; F414-L493 HydrophobicContact CD2-CD1 4.31Å; F414-A496 HydrophobicContact CD2-CB 4.04Å; F414-A496 HydrophobicContact CE2-CB 4.12Å; F414-E500 HydrophobicContact CZ-CG 4.49Å
415V95.4Very high93.5Very high0 Ų045.7 Ų45.70%022%0.221CC..Hα-helixtrans-67.7-16.5176.9-1800000113.7F411 M413 V419 C444 R458 I459F411-V415 HydrophobicContact CD2-CG2 4Å; F411-V415 HydrophobicContact CE2-CG2 3.68Å; F411-V415 HydrophobicContact CZ-CG2 3.98Å; F411-V415 WeakPolarHBondContact O-CG2 3.42Å; F411-V415 PolarHBondContact O-N 2.77Å; M413-V415 VanDerWaalsContact C-N 3.29Å; M413-V415 PolarHBondContact O-N 3.02Å; V415-V419 HydrophobicContact CG1-CG2 4.44Å; V415-V419 WeakPolarHBondContact O-CB 3.49Å; V415-V419 WeakPolarHBondContact O-CG2 3.39Å; V415-C444 VanDerWaalsContact CG2-SG 3.58Å; V415-R458 HydrophobicContact CB-CG 3.94Å; V415-R458 HydrophobicContact CG1-CB 3.94Å; V415-R458 HydrophobicContact CG1-CG 3.5Å; V415-R458 HydrophobicContact CG2-CG 4.36Å; V415-I459 HydrophobicContact CG1-CG1 3.68Å
416R94.6Very high93.5Very high62 Ų6247.4 Ų47.423%0.23422%0.222CC..Hα-helixtrans-80.5-57.2170.4-69.9177.4172.4108.2-27.8110.3N412 M413 F414 F418 V419 D420 Y462N412-R416 WeakPolarHBondContact O-CG 3.12Å; N412-R416 PolarHBondContact O-NH1 2.89Å; M413-R416 WeakPolarHBondContact O-CA 3.46Å; M413-R416 WeakPolarHBondContact O-CB 3.2Å; M413-R416 PolarHBondContact O-N 3.44Å; F414-R416 PolarHBondContact O-N 3.22Å; R416-F418 PolarHBondContact O-N 3.09Å; R416-V419 CarbonylContact O-C 3.52Å; R416-V419 WeakPolarHBondContact O-CA 3.35Å; R416-V419 PolarHBondContact O-N 3.41Å; R416-D420 PolarHBondContact O-N 3.42Å; R416-Y462 HydrophobicContact CB-CD1 4.32Å; R416-Y462 HydrophobicContact CB-CE1 3.83Å; R416-Y462 HydrophobicContact CG-CD1 4.06Å; R416-Y462 HydrophobicContact CG-CD2 3.99Å; R416-Y462 HydrophobicContact CG-CE1 3.85Å; R416-Y462 HydrophobicContact CG-CE2 3.8Å; R416-Y462 HydrophobicContact CG-CG 4.15Å
417L94.5Very high93.6Very high85 Ų8547.6 Ų47.645%0.44523%0.225SC..Hα-helixtrans-50.5-54.8-178.3-64.2175.4000111.5M413 F414 V419 D420 E421 L493M413-L417 PolarHBondContact O-N 3.32Å; F414-L417 PolarHBondContact O-N 2.7Å; L417-V419 VanDerWaalsContact C-N 3.25Å; L417-V419 PolarHBondContact O-N 3.37Å; L417-D420 PolarHBondContact O-N 3.23Å; L417-E421 WeakPolarHBondContact O-CB 3.32Å; L417-E421 PolarHBondContact O-N 3Å; L417-L493 HydrophobicContact CD1-CD1 4.26Å; L417-L493 HydrophobicContact CD1-CD2 4.28Å
418F94.8Very high93.7Very high30 Ų3046.4 Ų46.413%0.13223%0.227CC..Hα-helixtrans-62.7-29.9-179.7-85.5-102000113.4F414 R416 N422 I440 E500F414-F418 HydrophobicContact CD1-CD2 4.13Å; F414-F418 HydrophobicContact CD1-CE2 4.49Å; F414-F418 HydrophobicContact CD2-CD2 4.04Å; F414-F418 AromaticContact CD2-CE2 3.77Å; F414-F418 HydrophobicContact CD2-CE2 3.77Å; F414-F418 AromaticContact CE1-CD2 3.93Å; F414-F418 HydrophobicContact CE1-CD2 3.93Å; F414-F418 HydrophobicContact CE1-CE2 4.05Å; F414-F418 HydrophobicContact CE1-CG 4.28Å; F414-F418 HydrophobicContact CE1-CZ 4.48Å; F414-F418 AromaticContact CE2-CD2 3.85Å; F414-F418 HydrophobicContact CE2-CD2 3.85Å; F414-F418 AromaticContact CE2-CE2 3.25Å; F414-F418 HydrophobicContact CE2-CE2 3.25Å; F414-F418 AromaticContact CE2-CZ 3.82Å; F414-F418 HydrophobicContact CE2-CZ 3.82Å; F414-F418 HydrophobicContact CG-CD2 4.17Å; F414-F418 HydrophobicContact CG-CE2 4.36Å; F414-F418 AromaticContact CZ-CD2 3.78Å; F414-F418 HydrophobicContact CZ-CD2 3.78Å; F414-F418 HydrophobicContact CZ-CE1 4.24Å; F414-F418 AromaticContact CZ-CE2 3.41Å; F414-F418 HydrophobicContact CZ-CE2 3.41Å; F414-F418 VanDerWaalsContact CZ-CE2 3.41Å; F414-F418 HydrophobicContact CZ-CG 4.37Å; F414-F418 AromaticContact CZ-CZ 3.67Å; F414-F418 HydrophobicContact CZ-CZ 3.67Å; F414-F418 WeakPolarHBondContact O-CD2 3.37Å; F414-F418 PolarHBondContact O-N 3.39Å; F414-F418 VanDerWaalsContact O-N 3.09Å; R416-F418 PolarHBondContact O-N 3.09Å; F418-N422 VanDerWaalsContact O-CB 3.24Å; F418-N422 WeakPolarHBondContact O-CB 3.43Å; F418-N422 PolarHBondContact O-N 3.03Å; F418-N422 VanDerWaalsContact O-N 3.09Å; F418-N422 PolarHBondContact O-ND2 2.9Å; F418-I440 HydrophobicContact CB-CG1 4.24Å; F418-I440 HydrophobicContact CB-CG2 4Å; F418-E500 HydrophobicContact CE1-CG 3.83Å; F418-E500 HydrophobicContact CZ-CB 4.13Å; F418-E500 HydrophobicContact CZ-CG 3.63Å
419V95.8Very high93.7Very high0 Ų045.3 Ų45.30%022%0.221CC..Hα-helixtrans-80.4-35.8177.2169.10000112V415 R416 L417 L423 I440 I459 Y462 L463V415-V419 HydrophobicContact CG1-CG2 4.44Å; V415-V419 WeakPolarHBondContact O-CB 3.49Å; V415-V419 WeakPolarHBondContact O-CG2 3.39Å; R416-V419 CarbonylContact O-C 3.52Å; R416-V419 WeakPolarHBondContact O-CA 3.35Å; R416-V419 PolarHBondContact O-N 3.41Å; L417-V419 VanDerWaalsContact C-N 3.25Å; L417-V419 PolarHBondContact O-N 3.37Å; V419-L423 HydrophobicContact CG1-CB 4.38Å; V419-L423 HydrophobicContact CG1-CD1 4.32Å; V419-L423 HydrophobicContact CG2-CD1 4.3Å; V419-L423 WeakPolarHBondContact O-CB 3.47Å; V419-L423 PolarHBondContact O-N 2.89Å; V419-L423 VanDerWaalsContact O-N 3.11Å; V419-L423 VanDerWaalsContact O-O 3.07Å; V419-I440 HydrophobicContact CG2-CD1 4.17Å; V419-I459 HydrophobicContact CG2-CB 4.29Å; V419-I459 HydrophobicContact CG2-CG1 3.89Å; V419-I459 HydrophobicContact CG2-CG2 3.89Å; V419-Y462 HydrophobicContact CB-CD1 4.06Å; V419-Y462 HydrophobicContact CB-CE1 4.44Å; V419-Y462 HydrophobicContact CG1-CD1 3.81Å; V419-Y462 HydrophobicContact CG1-CE1 4.28Å; V419-L463 HydrophobicContact CG1-CD2 3.62Å; V419-L463 HydrophobicContact CG1-CG 3.91Å
420D93.8Very high93.8Very high45 Ų4546.3 Ų46.324%0.24124%0.239CC..Hα-helixtrans-72-31177.6-69.1-39.9000112.4R416 L417 R425 Y462R416-D420 PolarHBondContact O-N 3.42Å; L417-D420 PolarHBondContact O-N 3.23Å; D420-R425 WeakPolarHBondContact OD1-CD 3.37Å; D420-Y462 VanDerWaalsContact OD1-CE1 3.29Å; D420-Y462 WeakPolarHBondContact OD1-CE1 3.41Å; D420-Y462 PolarHBondContact OD1-OH 3.34Å; D420-Y462 PolarHBondContact OD2-OH 2.83Å
421E93.4Very high93.8Very high144 Ų14454.4 Ų54.467%0.67327%0.274SS*.Hα-helixtrans-77.5-48.9174.1-180-172.4-132.400112.3L417L417-E421 WeakPolarHBondContact O-CB 3.32Å; L417-E421 PolarHBondContact O-N 3Å
422N91.1Very high93.7Very high54 Ų5455 Ų5529%0.28928%0.276SS..Hα-helixtrans-99.4-15.7-165.7-66.7-90.8000115.3F418 K436 I440F418-N422 VanDerWaalsContact O-CB 3.24Å; F418-N422 WeakPolarHBondContact O-CB 3.43Å; F418-N422 PolarHBondContact O-N 3.03Å; F418-N422 VanDerWaalsContact O-N 3.09Å; F418-N422 PolarHBondContact O-ND2 2.9Å; N422-K436 HydrophobicContact CB-CD 4.49Å; N422-K436 WeakPolarHBondContact O-CD 3.35Å; N422-I440 HydrophobicContact CB-CD1 4.12Å
423L95.8Very high93.8Very high10 Ų1056.3 Ų56.35%0.05229%0.287CS..SBendtrans-129.6148-173.4-59.5-178.6000112.6V419 R425 Q432 K436 I437 I440 I459 L463V419-L423 HydrophobicContact CG1-CB 4.38Å; V419-L423 HydrophobicContact CG1-CD1 4.32Å; V419-L423 HydrophobicContact CG2-CD1 4.3Å; V419-L423 WeakPolarHBondContact O-CB 3.47Å; V419-L423 PolarHBondContact O-N 2.89Å; V419-L423 VanDerWaalsContact O-N 3.11Å; V419-L423 VanDerWaalsContact O-O 3.07Å; L423-R425 PolarHBondContact O-N 3.13Å; L423-R425 VanDerWaalsContact O-N 3.12Å; L423-Q432 HydrophobicContact CD2-CB 4.27Å; L423-Q432 HydrophobicContact CD2-CG 4.46Å; L423-K436 HydrophobicContact CD2-CB 3.69Å; L423-I437 HydrophobicContact CD1-CG1 3.93Å; L423-I437 HydrophobicContact CD2-CG1 4.19Å; L423-I440 HydrophobicContact CD1-CD1 3.8Å; L423-I440 HydrophobicContact CD2-CD1 4.49Å; L423-I440 HydrophobicContact CG-CD1 3.85Å; L423-I459 HydrophobicContact CD1-CG2 4.08Å; L423-L463 HydrophobicContact CD1-CD1 4.3Å
424D94.1Very high93.8Very high81 Ų8162.9 Ų62.943%0.43332%0.315SS..  trans-72.3112.2175.1174.216.6000111.1M426 V427 Q432D424-M426 PolarHBondContact O-N 3.33Å; D424-M426 WeakPolarHBondContact OD1-CB 3.47Å; D424-M426 PolarHBondContact OD1-N 3.13Å; D424-V427 HydrophobicContact CB-CB 4.14Å; D424-V427 HydrophobicContact CB-CG2 4.28Å; D424-V427 PolarHBondContact O-N 3.39Å; D424-V427 WeakPolarHBondContact OD2-CG2 3.42Å; D424-Q432 PolarHBondContact O-NE2 3.32Å
425R93.1Very high93.8Very high98 Ų9869 Ų6937%0.3734%0.343SS..THydrogen-bonded Turntrans-52.5-25.1176.8-56.8-178.8-69.5-169-8.9113.1D420 L423 C466D420-R425 WeakPolarHBondContact OD1-CD 3.37Å; L423-R425 PolarHBondContact O-N 3.13Å; L423-R425 VanDerWaalsContact O-N 3.12Å; R425-C466 HydrophobicContact CB-CB 4.12Å
426M87.9Confident93.7Very high84 Ų8473.8 Ų73.841%0.41436%0.364SS..THydrogen-bonded Turntrans-84.1-16.5176.6-65.5-54.4-56.200115.1D424 R467 K470D424-M426 PolarHBondContact O-N 3.33Å; D424-M426 WeakPolarHBondContact OD1-CB 3.47Å; D424-M426 PolarHBondContact OD1-N 3.13Å; M426-R467 HydrophobicContact CE-CG 4.49Å; M426-R467 WeakPolarHBondContact O-CD 3.33Å; M426-R467 WeakPolarHBondContact O-CG 3.32Å; M426-K470 HydrophobicContact CE-CD 3.87Å; M426-K470 HydrophobicContact SD-CB 4.33Å; M426-K470 HydrophobicContact SD-CD 3.39Å; M426-K470 WeakPolarHBondContact SD-CD 3.47Å; M426-K470 HydrophobicContact SD-CG 4.45Å
427V92.8Very high93.8Very high38 Ų3871.4 Ų71.423%0.2336%0.356CS..SBendtrans-100.5135.1-172161.20000112.6D424 K431 Q432 R467D424-V427 HydrophobicContact CB-CB 4.14Å; D424-V427 HydrophobicContact CB-CG2 4.28Å; D424-V427 PolarHBondContact O-N 3.39Å; D424-V427 WeakPolarHBondContact OD2-CG2 3.42Å; V427-K431 VanDerWaalsContact CG1-C 3.49Å; V427-K431 HydrophobicContact CG1-CB 3.68Å; V427-K431 WeakPolarHBondContact CG1-O 3.38Å; V427-Q432 HydrophobicContact CG1-CG 4.04Å; V427-Q432 PolarHBondContact O-NE2 2.99Å; V427-R467 PolarHBondContact O-NH1 3.1Å
428P92.9Very high93.8Very high48 Ų4871 Ų7131%0.31235%0.352SS..  trans-66.4146.8176.728.3-34.7000111.3S430 K431 Q432P428-S430 PolarHBondContact O-N 3.02Å; P428-K431 HydrophobicContact CG-CB 4.21Å; P428-K431 HydrophobicContact CG-CG 4.39Å; P428-K431 PolarHBondContact O-N 3.13Å; P428-Q432 PolarHBondContact O-N 2.95Å
429I92.9Very high93.8Very high31 Ų3172.1 Ų72.116%0.15937%0.367CS..THydrogen-bonded Turntrans-54.7-16.2-176.9-159.8175.4000114.8I437 I459 R460 L463I429-I437 HydrophobicContact CD1-CD1 4.5Å; I429-I437 HydrophobicContact CD1-CG2 4.5Å; I429-I437 HydrophobicContact CG1-CD1 3.55Å; I429-I437 HydrophobicContact CG1-CG1 4.25Å; I429-I437 WeakPolarHBondContact O-CD1 3.47Å; I429-I459 HydrophobicContact CD1-CB 4.24Å; I429-I459 HydrophobicContact CD1-CG2 3.82Å; I429-I459 HydrophobicContact CG1-CG2 4.4Å; I429-R460 HydrophobicContact CD1-CB 3.88Å; I429-R460 HydrophobicContact CG2-CB 4.23Å; I429-R460 HydrophobicContact CG2-CG 3.93Å; I429-L463 HydrophobicContact CB-CD1 4.2Å; I429-L463 HydrophobicContact CG1-CD1 4.47Å
430S93.8Very high93.8Very high104 Ų10472.3 Ų72.373%0.72737%0.368SS*.THydrogen-bonded Turntrans-85.4-7.517557.40000114.7P428P428-S430 PolarHBondContact O-N 3.02Å
431K94.4Very high93.8Very high169 Ų16970.7 Ų70.774%0.73536%0.359SS*.SBendtrans-123.25.6178.2-76.2-161.6171.4-1580112.9V427 P428V427-K431 VanDerWaalsContact CG1-C 3.49Å; V427-K431 HydrophobicContact CG1-CB 3.68Å; V427-K431 WeakPolarHBondContact CG1-O 3.38Å; P428-K431 HydrophobicContact CG-CB 4.21Å; P428-K431 HydrophobicContact CG-CG 4.39Å; P428-K431 PolarHBondContact O-N 3.13Å
432Q94.1Very high93.9Very high15 Ų1566.1 Ų66.17%0.0734%0.339CS..SBendtrans-79.8158.3169.9-65-69.5-9.700109.9L423 D424 V427 P428 K434 I437 L463L423-Q432 HydrophobicContact CD2-CB 4.27Å; L423-Q432 HydrophobicContact CD2-CG 4.46Å; D424-Q432 PolarHBondContact O-NE2 3.32Å; V427-Q432 HydrophobicContact CG1-CG 4.04Å; V427-Q432 PolarHBondContact O-NE2 2.99Å; P428-Q432 PolarHBondContact O-N 2.95Å; Q432-K434 PolarHBondContact O-N 2.87Å; Q432-I437 HydrophobicContact CB-CD1 3.52Å; Q432-I437 HydrophobicContact CB-CG1 4.05Å; Q432-I437 HydrophobicContact CG-CD1 4.24Å; Q432-L463 HydrophobicContact CG-CD1 4.25Å
433P96Very high94.1Very high60 Ų6063.8 Ų63.839%0.3933%0.327SS..  trans-53.6124.7163.7-2233.3000110E435 K436 I437P433-E435 VanDerWaalsContact C-OE2 3.3Å; P433-E435 WeakPolarHBondContact CA-OE2 3.33Å; P433-E435 WeakPolarHBondContact CB-OE2 3.22Å; P433-E435 PolarHBondContact O-N 3.23Å; P433-K436 HydrophobicContact CB-CB 4.19Å; P433-K436 HydrophobicContact CB-CG 4.1Å; P433-I437 WeakPolarHBondContact O-CG1 3.37Å; P433-I437 PolarHBondContact O-N 3.24Å
434K93.3Very high94.1Very high162 Ų16263.3 Ų63.370%0.70433%0.325SS*.Hα-helixtrans-69.1-30.5-178.3-54.5166.7-173.41600110.1Q432 I437 Q438Q432-K434 PolarHBondContact O-N 2.87Å; K434-I437 PolarHBondContact O-N 3.2Å; K434-Q438 VanDerWaalsContact O-CB 3.26Å; K434-Q438 WeakPolarHBondContact O-CB 3.47Å; K434-Q438 PolarHBondContact O-N 2.88Å
435E94.7Very high94.1Very high128 Ų12864.9 Ų64.960%0.59832%0.324SS*.Hα-helixtrans-65.9-49.9-176.3-52.764.7-131.400108.8P433 Q438 A439P433-E435 VanDerWaalsContact C-OE2 3.3Å; P433-E435 WeakPolarHBondContact CA-OE2 3.33Å; P433-E435 WeakPolarHBondContact CB-OE2 3.22Å; P433-E435 PolarHBondContact O-N 3.23Å; E435-Q438 PolarHBondContact O-N 3.12Å; E435-A439 WeakPolarHBondContact O-CB 3.42Å; E435-A439 PolarHBondContact O-N 3.26Å
436K94.3Very high94.2Very high101 Ų10164.3 Ų64.344%0.43932%0.322SS..Hα-helixtrans-65.7-38.9173.2-63.8-161178.5-163.30112.7N422 L423 P433 Q438 I440N422-K436 HydrophobicContact CB-CD 4.49Å; N422-K436 WeakPolarHBondContact O-CD 3.35Å; L423-K436 HydrophobicContact CD2-CB 3.69Å; P433-K436 HydrophobicContact CB-CB 4.19Å; P433-K436 HydrophobicContact CB-CG 4.1Å; K436-Q438 VanDerWaalsContact C-N 3.31Å; K436-Q438 PolarHBondContact O-N 3.38Å; K436-I440 WeakPolarHBondContact O-CD1 3.23Å; K436-I440 VanDerWaalsContact O-CG1 3.27Å; K436-I440 WeakPolarHBondContact O-CG1 3.46Å; K436-I440 PolarHBondContact O-N 3.28Å; K436-I440 VanDerWaalsContact O-N 3.17Å
437I95.5Very high94.4Very high12 Ų1261.7 Ų61.76%0.06231%0.309CS..Hα-helixtrans-61.1-43.1172.6-67.9161.8000110.9L423 I429 Q432 P433 K434 I440 I441L423-I437 HydrophobicContact CD1-CG1 3.93Å; L423-I437 HydrophobicContact CD2-CG1 4.19Å; I429-I437 HydrophobicContact CD1-CD1 4.5Å; I429-I437 HydrophobicContact CD1-CG2 4.5Å; I429-I437 HydrophobicContact CG1-CD1 3.55Å; I429-I437 HydrophobicContact CG1-CG1 4.25Å; I429-I437 WeakPolarHBondContact O-CD1 3.47Å; Q432-I437 HydrophobicContact CB-CD1 3.52Å; Q432-I437 HydrophobicContact CB-CG1 4.05Å; Q432-I437 HydrophobicContact CG-CD1 4.24Å; P433-I437 WeakPolarHBondContact O-CG1 3.37Å; P433-I437 PolarHBondContact O-N 3.24Å; K434-I437 PolarHBondContact O-N 3.2Å; I437-I440 PolarHBondContact O-N 2.81Å; I437-I441 HydrophobicContact CG2-CD1 3.73Å; I437-I441 HydrophobicContact CG2-CG1 4.45Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å; I437-I441 PolarHBondContact O-N 3Å
438Q95.4Very high94.4Very high77 Ų7759.9 Ų59.936%0.3630%0.298SS..Hα-helixtrans-69.5-42.2-176.6-171.552.744.900110.9K434 E435 K436 I440 I441 D442K434-Q438 VanDerWaalsContact O-CB 3.26Å; K434-Q438 WeakPolarHBondContact O-CB 3.47Å; K434-Q438 PolarHBondContact O-N 2.88Å; E435-Q438 PolarHBondContact O-N 3.12Å; K436-Q438 VanDerWaalsContact C-N 3.31Å; K436-Q438 PolarHBondContact O-N 3.38Å; Q438-I440 PolarHBondContact O-N 3.42Å; Q438-I441 CarbonylContact O-C 3.51Å; Q438-I441 WeakPolarHBondContact O-CA 3.22Å; Q438-I441 WeakPolarHBondContact O-CB 3.47Å; Q438-I441 PolarHBondContact O-N 3.14Å; Q438-I441 VanDerWaalsContact O-N 3.08Å; Q438-D442 WeakPolarHBondContact CG-OD2 3.43Å; Q438-D442 PolarHBondContact NE2-OD1 3.27Å; Q438-D442 PolarHBondContact NE2-OD2 3.01Å; Q438-D442 PolarHBondContact O-N 2.7Å
439A94.8Very high94.3Very high54 Ų5460.4 Ų60.445%0.44630%0.301SS..Hα-helixtrans-52.6-50.9170.800000111.9E435 I441 D442 S443E435-A439 WeakPolarHBondContact O-CB 3.42Å; E435-A439 PolarHBondContact O-N 3.26Å; A439-I441 VanDerWaalsContact C-N 3.31Å; A439-I441 PolarHBondContact O-N 2.83Å; A439-D442 CarbonylContact O-C 3.59Å; A439-D442 PolarHBondContact O-N 3.35Å; A439-D442 VanDerWaalsContact O-N 3.08Å; A439-S443 PolarHBondContact O-N 2.81Å; A439-S443 PolarHBondContact O-OG 2.88Å; A439-S443 VanDerWaalsContact O-OG 3.05Å
440I94.9Very high94.2Very high3 Ų363.5 Ų63.52%0.01532%0.315CS..Hα-helixtrans-60.7-39.2177.4-60.3164.4000111.5F418 V419 N422 L423 K436 I437 Q438 S443 C444 I459F418-I440 HydrophobicContact CB-CG1 4.24Å; F418-I440 HydrophobicContact CB-CG2 4Å; V419-I440 HydrophobicContact CG2-CD1 4.17Å; N422-I440 HydrophobicContact CB-CD1 4.12Å; L423-I440 HydrophobicContact CD1-CD1 3.8Å; L423-I440 HydrophobicContact CD2-CD1 4.49Å; L423-I440 HydrophobicContact CG-CD1 3.85Å; K436-I440 WeakPolarHBondContact O-CD1 3.23Å; K436-I440 VanDerWaalsContact O-CG1 3.27Å; K436-I440 WeakPolarHBondContact O-CG1 3.46Å; K436-I440 PolarHBondContact O-N 3.28Å; K436-I440 VanDerWaalsContact O-N 3.17Å; I437-I440 PolarHBondContact O-N 2.81Å; Q438-I440 PolarHBondContact O-N 3.42Å; I440-S443 PolarHBondContact O-N 3.35Å; I440-C444 WeakPolarHBondContact O-CB 3.49Å; I440-C444 PolarHBondContact O-N 3.21Å; I440-C444 PolarHBondContact O-SG 2.77Å; I440-I459 HydrophobicContact CB-CD1 4.28Å; I440-I459 HydrophobicContact CG2-CD1 3.83Å; I440-I459 HydrophobicContact CG2-CG1 4.38Å
441I95.8Very high94.1Very high11 Ų1158.7 Ų58.76%0.05628%0.281CS..Hα-helixtrans-64.5-40.6175.4-70.3166000110.8I437 Q438 A439 C444 R445 R456 I459I437-I441 HydrophobicContact CG2-CD1 3.73Å; I437-I441 HydrophobicContact CG2-CG1 4.45Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å; I437-I441 PolarHBondContact O-N 3Å; Q438-I441 CarbonylContact O-C 3.51Å; Q438-I441 WeakPolarHBondContact O-CA 3.22Å; Q438-I441 WeakPolarHBondContact O-CB 3.47Å; Q438-I441 PolarHBondContact O-N 3.14Å; Q438-I441 VanDerWaalsContact O-N 3.08Å; A439-I441 VanDerWaalsContact C-N 3.31Å; A439-I441 PolarHBondContact O-N 2.83Å; I441-C444 WeakPolarHBondContact O-CB 3.45Å; I441-C444 PolarHBondContact O-N 3.12Å; I441-R445 VanDerWaalsContact O-CG 3.29Å; I441-R445 WeakPolarHBondContact O-CG 3.45Å; I441-R445 PolarHBondContact O-N 3.26Å; I441-R456 HydrophobicContact CD1-CB 3.78Å; I441-R456 HydrophobicContact CD1-CG 3.85Å; I441-R456 HydrophobicContact CG1-CB 4.41Å; I441-I459 HydrophobicContact CG1-CD1 3.86Å
442D95.3Very high93.9Very high49 Ų4954.1 Ų54.126%0.26226%0.262SS..Hα-helixtrans-77.9-21.5-179.8-66-36.4000113.3Q438 A439 R445 R446Q438-D442 WeakPolarHBondContact CG-OD2 3.43Å; Q438-D442 PolarHBondContact NE2-OD1 3.27Å; Q438-D442 PolarHBondContact NE2-OD2 3.01Å; Q438-D442 PolarHBondContact O-N 2.7Å; A439-D442 CarbonylContact O-C 3.59Å; A439-D442 PolarHBondContact O-N 3.35Å; A439-D442 VanDerWaalsContact O-N 3.08Å; D442-R445 WeakPolarHBondContact OD1-CD 3.26Å; D442-R445 IonicContact OD1-CZ 3.77Å; D442-R445 IonicContact OD1-NE 3.79Å; D442-R445 IonicContact OD1-NH1 3.09Å; D442-R445 PolarHBondContact OD1-NH1 3.16Å; D442-R446 PolarHBondContact O-NE 3.41Å; D442-R446 PolarHBondContact O-NH2 3.41Å
443S94.8Very high93.8Very high5 Ų561.6 Ų61.64%0.03530%0.297CS..Hα-helixtrans-69.4-49.3161.4-520000110.6A439 I440 R445 R446 Q447 E500A439-S443 PolarHBondContact O-N 2.81Å; A439-S443 PolarHBondContact O-OG 2.88Å; A439-S443 VanDerWaalsContact O-OG 3.05Å; I440-S443 PolarHBondContact O-N 3.35Å; S443-R445 PolarHBondContact O-N 3.22Å; S443-R446 VanDerWaalsContact CA-NH2 3.32Å; S443-R446 PolarHBondContact O-N 3.03Å; S443-R446 PolarHBondContact OG-NH2 2.83Å; S443-Q447 WeakPolarHBondContact O-CG 3.39Å; S443-Q447 PolarHBondContact O-N 3.03Å; S443-E500 WeakPolarHBondContact CB-OE1 3.38Å; S443-E500 VanDerWaalsContact OG-CD 3.29Å; S443-E500 PolarHBondContact OG-OE1 2.96Å
444C95.9Very high93.6Very high0 Ų064.9 Ų64.90%030%0.302CS..Hα-helixtrans-56.9-37.8175.9-66.30000112.7F411 V415 I440 I441 R446 F448 A455F411-C444 HydrophobicContact CE2-CB 4.39Å; V415-C444 VanDerWaalsContact CG2-SG 3.58Å; I440-C444 WeakPolarHBondContact O-CB 3.49Å; I440-C444 PolarHBondContact O-N 3.21Å; I440-C444 PolarHBondContact O-SG 2.77Å; I441-C444 WeakPolarHBondContact O-CB 3.45Å; I441-C444 PolarHBondContact O-N 3.12Å; C444-R446 VanDerWaalsContact C-N 3.3Å; C444-R446 PolarHBondContact O-N 3.45Å; C444-F448 CarbonylContact O-C 3.59Å; C444-F448 VanDerWaalsContact O-C 3.27Å; C444-F448 WeakPolarHBondContact O-CA 3.37Å; C444-F448 PolarHBondContact O-N 3.29Å; C444-A455 HydrophobicContact CB-CB 3.72Å
445R94.7Very high93.7Very high113 Ų11357.2 Ų57.243%0.42627%0.269SS..Hα-helixtrans-60.1-35175.4-81.3165149.9174.3-7.7114.1I441 D442 S443 Q452I441-R445 VanDerWaalsContact O-CG 3.29Å; I441-R445 WeakPolarHBondContact O-CG 3.45Å; I441-R445 PolarHBondContact O-N 3.26Å; D442-R445 WeakPolarHBondContact OD1-CD 3.26Å; D442-R445 IonicContact OD1-CZ 3.77Å; D442-R445 IonicContact OD1-NE 3.79Å; D442-R445 IonicContact OD1-NH1 3.09Å; D442-R445 PolarHBondContact OD1-NH1 3.16Å; S443-R445 PolarHBondContact O-N 3.22Å; R445-Q452 HydrophobicContact CB-CB 4.41Å; R445-Q452 HydrophobicContact CG-CB 3.6Å
446R93.4Very high93.7Very high86 Ų8658.2 Ų58.233%0.32527%0.267SS..Hα-helixtrans-86.2-37.6-178.4-72.7174.6-72.5119.5-2.2112.2D442 S443 C444 E500 N503D442-R446 PolarHBondContact O-NE 3.41Å; D442-R446 PolarHBondContact O-NH2 3.41Å; S443-R446 VanDerWaalsContact CA-NH2 3.32Å; S443-R446 PolarHBondContact O-N 3.03Å; S443-R446 PolarHBondContact OG-NH2 2.83Å; C444-R446 VanDerWaalsContact C-N 3.3Å; C444-R446 PolarHBondContact O-N 3.45Å; R446-E500 IonicContact CZ-OE1 3.37Å; R446-E500 IonicContact CZ-OE2 3.23Å; R446-E500 VanDerWaalsContact CZ-OE2 3.29Å; R446-E500 IonicContact NH1-OE1 2.73Å; R446-E500 PolarHBondContact NH1-OE1 3.07Å; R446-E500 IonicContact NH1-OE2 2.82Å; R446-E500 PolarHBondContact NH1-OE2 2.94Å; R446-E500 IonicContact NH2-OE1 3.46Å; R446-E500 PolarHBondContact NH2-OE1 3.16Å; R446-E500 IonicContact NH2-OE2 3.27Å; R446-E500 PolarHBondContact NH2-OE2 3.2Å; R446-N503 PolarHBondContact NH1-OD1 3.22Å
447Q92.3Very high93.8Very high30 Ų3060.4 Ų60.414%0.1428%0.277CS..Hα-helixtrans-86.2-32.4-177.8-52.6-51.9-19.200113.8F414 S443 A496 S499 E500F414-Q447 HydrophobicContact CE1-CG 4.38Å; F414-Q447 HydrophobicContact CE2-CG 3.97Å; F414-Q447 HydrophobicContact CZ-CB 4.37Å; F414-Q447 HydrophobicContact CZ-CG 3.71Å; S443-Q447 WeakPolarHBondContact O-CG 3.39Å; S443-Q447 PolarHBondContact O-N 3.03Å; Q447-A496 HydrophobicContact CB-CB 3.98Å; Q447-A496 HydrophobicContact CG-CB 4.12Å; Q447-A496 PolarHBondContact NE2-O 3.23Å; Q447-S499 PolarHBondContact NE2-OG 3.06Å; Q447-S499 PolarHBondContact OE1-OG 2.95Å; Q447-E500 PolarHBondContact NE2-OE2 2.75Å
448F93.6Very high93.8Very high0 Ų063 Ų630%029%0.285CS..  trans-138.568.3-176.9-57.1-80.7000110.9R407 A410 F411 F414 C444 E450 Y451 Q452 I492 A496R407-F448 HydrophobicContact CG-CD1 3.93Å; R407-F448 HydrophobicContact CG-CE1 4.13Å; A410-F448 HydrophobicContact CB-CE1 3.97Å; A410-F448 HydrophobicContact CB-CZ 4Å; F411-F448 HydrophobicContact CB-CB 4.4Å; F411-F448 HydrophobicContact CB-CD1 3.78Å; F411-F448 HydrophobicContact CB-CD2 4.1Å; F411-F448 HydrophobicContact CB-CE1 4.02Å; F411-F448 HydrophobicContact CB-CE2 4.36Å; F411-F448 HydrophobicContact CB-CG 3.82Å; F411-F448 HydrophobicContact CB-CZ 4.32Å; F411-F448 HydrophobicContact CD2-CB 3.81Å; F411-F448 AromaticContact CD2-CD2 3.92Å; F411-F448 HydrophobicContact CD2-CD2 3.92Å; F411-F448 AromaticContact CD2-CG 3.88Å; F411-F448 HydrophobicContact CD2-CG 3.88Å; F411-F448 HydrophobicContact CG-CB 4.48Å; F411-F448 HydrophobicContact CG-CG 4.32Å; F414-F448 HydrophobicContact CB-CE2 3.74Å; F414-F448 HydrophobicContact CB-CZ 4.38Å; F414-F448 HydrophobicContact CD1-CD2 4.39Å; F414-F448 HydrophobicContact CD1-CE2 4.1Å; F414-F448 HydrophobicContact CD2-CE2 4.09Å; F414-F448 HydrophobicContact CG-CD2 4.45Å; F414-F448 AromaticContact CG-CE2 3.72Å; F414-F448 HydrophobicContact CG-CE2 3.72Å; C444-F448 CarbonylContact O-C 3.59Å; C444-F448 VanDerWaalsContact O-C 3.27Å; C444-F448 WeakPolarHBondContact O-CA 3.37Å; C444-F448 PolarHBondContact O-N 3.29Å; F448-E450 PolarHBondContact O-N 3.2Å; F448-E450 VanDerWaalsContact O-N 3.09Å; F448-Y451 HydrophobicContact CB-CD2 4.18Å; F448-Y451 PolarHBondContact O-N 3Å; F448-Q452 PolarHBondContact O-N 3.32Å; F448-I492 HydrophobicContact CE1-CG2 3.84Å; F448-I492 HydrophobicContact CZ-CG2 4.24Å; F448-A496 HydrophobicContact CE2-CB 4.04Å; F448-A496 HydrophobicContact CZ-CB 4Å
449P90.7Very high93.9Very high58 Ų5859.3 Ų59.338%0.37727%0.268SS..G310 helixtrans-51.9-33.3-178.3-26.334.6000113.9Y451 Q452P449-Y451 PolarHBondContact O-N 2.83Å; P449-Q452 VanDerWaalsContact O-CG 3.25Å; P449-Q452 WeakPolarHBondContact O-CG 3.44Å; P449-Q452 PolarHBondContact O-NE2 3Å
450E90.3Very high93.9Very high97 Ų9761.8 Ų61.845%0.45327%0.266SS..G310 helixtrans-69.5-21.9-177.7-43.174.8-159.700112.1R407 F448R407-E450 IonicContact CZ-OE1 2.73Å; R407-E450 IonicContact CZ-OE2 3.49Å; R407-E450 IonicContact NE-OE1 3.73Å; R407-E450 PolarHBondContact NE-OE1 2.81Å; R407-E450 IonicContact NE-OE2 3.66Å; R407-E450 PolarHBondContact NE-OE2 3Å; R407-E450 IonicContact NH2-OE1 2.8Å; R407-E450 PolarHBondContact NH2-OE1 3.11Å; R407-E450 IonicContact NH2-OE2 2.72Å; R407-E450 PolarHBondContact NH2-OE2 3.33Å; F448-E450 PolarHBondContact O-N 3.2Å; F448-E450 VanDerWaalsContact O-N 3.09Å
451Y92.5Very high94Very high2 Ų265.1 Ų65.11%0.00829%0.286CS..G310 helixtrans-117.18.4-176.2-53.4-39.7000114E404 R407 L408 F411 F448 P449 E453 R454 A455E404-Y451 VanDerWaalsContact CD-OH 3.31Å; E404-Y451 WeakPolarHBondContact CG-OH 3.45Å; E404-Y451 PolarHBondContact O-OH 3.31Å; E404-Y451 WeakPolarHBondContact OE1-CE1 3.37Å; E404-Y451 PolarHBondContact OE1-OH 2.69Å; R407-Y451 HydrophobicContact CG-CE2 4.25Å; L408-Y451 HydrophobicContact CB-CE2 3.98Å; L408-Y451 HydrophobicContact CD1-CD1 4.32Å; L408-Y451 HydrophobicContact CD1-CD2 4.15Å; L408-Y451 HydrophobicContact CD1-CE1 4.09Å; L408-Y451 HydrophobicContact CD1-CE2 3.89Å; L408-Y451 HydrophobicContact CD1-CG 4.36Å; F411-Y451 HydrophobicContact CB-CD2 3.69Å; F411-Y451 HydrophobicContact CB-CE2 4.31Å; F411-Y451 AromaticContact CD1-CD2 3.99Å; F411-Y451 HydrophobicContact CD1-CD2 3.99Å; F411-Y451 HydrophobicContact CD1-CG 4.2Å; F411-Y451 HydrophobicContact CD2-CD2 4.16Å; F411-Y451 HydrophobicContact CD2-CG 4.43Å; F411-Y451 HydrophobicContact CE1-CG 4.46Å; F411-Y451 AromaticContact CG-CD2 3.68Å; F411-Y451 HydrophobicContact CG-CD2 3.68Å; F411-Y451 HydrophobicContact CG-CG 4.18Å; F448-Y451 HydrophobicContact CB-CD2 4.18Å; F448-Y451 PolarHBondContact O-N 3Å; P449-Y451 PolarHBondContact O-N 2.83Å; Y451-E453 VanDerWaalsContact C-N 3.3Å; Y451-E453 PolarHBondContact O-N 2.85Å; Y451-R454 CarbonylContact O-C 3.55Å; Y451-R454 WeakPolarHBondContact O-CA 3.41Å; Y451-R454 WeakPolarHBondContact O-CB 3.37Å; Y451-R454 PolarHBondContact O-N 3.15Å; Y451-A455 PolarHBondContact O-N 2.85Å
452Q89Confident94Very high73 Ų7366.4 Ų66.434%0.34129%0.291SS..Hα-helixtrans-51.5-44.2-17965.5-178.3-4300113.6R445 F448 P449 R454 A455R445-Q452 HydrophobicContact CB-CB 4.41Å; R445-Q452 HydrophobicContact CG-CB 3.6Å; F448-Q452 PolarHBondContact O-N 3.32Å; P449-Q452 VanDerWaalsContact O-CG 3.25Å; P449-Q452 WeakPolarHBondContact O-CG 3.44Å; P449-Q452 PolarHBondContact O-NE2 3Å; Q452-R454 VanDerWaalsContact C-N 3.29Å; Q452-R454 PolarHBondContact O-N 3.34Å; Q452-A455 VanDerWaalsContact O-CB 3.26Å; Q452-A455 WeakPolarHBondContact O-CB 3.22Å; Q452-A455 PolarHBondContact O-N 2.98Å
453E91.9Very high94Very high173 Ų17364 Ų6481%0.80828%0.278SS*.Hα-helixtrans-68.4-29.9178.2-70162.7-154.400112.4Y451Y451-E453 VanDerWaalsContact C-N 3.3Å; Y451-E453 PolarHBondContact O-N 2.85Å
454R92.5Very high94Very high129 Ų12970.1 Ų70.149%0.48730%0.304SS..Hα-helixtrans-75.6-24.9177.5-54.3-178.8-177.7178.7-0.4111F411 Y451 Q452 R456 K457 R458F411-R454 HydrophobicContact CE1-CB 4.38Å; F411-R454 HydrophobicContact CZ-CB 4.21Å; Y451-R454 CarbonylContact O-C 3.55Å; Y451-R454 WeakPolarHBondContact O-CA 3.41Å; Y451-R454 WeakPolarHBondContact O-CB 3.37Å; Y451-R454 PolarHBondContact O-N 3.15Å; Q452-R454 VanDerWaalsContact C-N 3.29Å; Q452-R454 PolarHBondContact O-N 3.34Å; R454-R456 PolarHBondContact O-N 3.09Å; R454-K457 CarbonylContact O-C 3.6Å; R454-K457 WeakPolarHBondContact O-CB 2.93Å; R454-K457 PolarHBondContact O-N 3.19Å; R454-K457 VanDerWaalsContact O-N 3.12Å; R454-R458 WeakPolarHBondContact O-CB 3.5Å; R454-R458 PolarHBondContact O-N 3.23Å
455A95.6Very high93.7Very high0 Ų073.1 Ų73.10%033%0.325CS..Hα-helixtrans-54.1-55-175.600000113.5F411 C444 Y451 Q452 K457 R458 I459F411-A455 HydrophobicContact CE2-CB 4.22Å; F411-A455 HydrophobicContact CZ-CB 4.3Å; C444-A455 HydrophobicContact CB-CB 3.72Å; Y451-A455 PolarHBondContact O-N 2.85Å; Q452-A455 VanDerWaalsContact O-CB 3.26Å; Q452-A455 WeakPolarHBondContact O-CB 3.22Å; Q452-A455 PolarHBondContact O-N 2.98Å; A455-K457 PolarHBondContact O-N 3.11Å; A455-R458 WeakPolarHBondContact O-CA 3.29Å; A455-R458 WeakPolarHBondContact O-CB 3.32Å; A455-R458 PolarHBondContact O-N 3.4Å; A455-I459 WeakPolarHBondContact O-CG1 3.32Å; A455-I459 PolarHBondContact O-N 3.05Å
456R95.3Very high93.6Very high150 Ų15068.2 Ų68.257%0.56631%0.308SS*.Hα-helixtrans-62.3-29.9179.8-165.3175.1-174.4-147.25.5113I441 R454 R460I441-R456 HydrophobicContact CD1-CB 3.78Å; I441-R456 HydrophobicContact CD1-CG 3.85Å; I441-R456 HydrophobicContact CG1-CB 4.41Å; R454-R456 PolarHBondContact O-N 3.09Å; R456-R460 WeakPolarHBondContact O-CB 3.14Å; R456-R460 PolarHBondContact O-N 3.17Å
457K96.3Very high93.6Very high147 Ų14767.2 Ų67.264%0.63930%0.304SS*.Hα-helixtrans-74-37172.9-174.7-178.5177.7-176.20111.2R454 A455 T461R454-K457 CarbonylContact O-C 3.6Å; R454-K457 WeakPolarHBondContact O-CB 2.93Å; R454-K457 PolarHBondContact O-N 3.19Å; R454-K457 VanDerWaalsContact O-N 3.12Å; A455-K457 PolarHBondContact O-N 3.11Å; K457-T461 WeakPolarHBondContact O-CB 3.44Å; K457-T461 PolarHBondContact O-N 3.47Å; K457-T461 VanDerWaalsContact O-N 3.11Å; K457-T461 PolarHBondContact O-OG1 2.93Å
458R95.9Very high93.2Very high66 Ų6674.7 Ų74.725%0.24933%0.331CS..Hα-helixtrans-68.7-50.9177.9-173.768.1-168.2-175.8-2.6111.7F411 N412 V415 R454 A455 R460 T461 Y462F411-R458 HydrophobicContact CE1-CB 4.38Å; F411-R458 HydrophobicContact CE1-CG 4.35Å; F411-R458 HydrophobicContact CZ-CB 4.36Å; N412-R458 VanDerWaalsContact OD1-CD 3.25Å; N412-R458 WeakPolarHBondContact OD1-CD 3.49Å; N412-R458 PolarHBondContact OD1-NE 3.23Å; N412-R458 PolarHBondContact OD1-NH1 2.84Å; N412-R458 PolarHBondContact OD1-NH2 3.42Å; V415-R458 HydrophobicContact CB-CG 3.94Å; V415-R458 HydrophobicContact CG1-CB 3.94Å; V415-R458 HydrophobicContact CG1-CG 3.5Å; V415-R458 HydrophobicContact CG2-CG 4.36Å; R454-R458 WeakPolarHBondContact O-CB 3.5Å; R454-R458 PolarHBondContact O-N 3.23Å; A455-R458 WeakPolarHBondContact O-CA 3.29Å; A455-R458 WeakPolarHBondContact O-CB 3.32Å; A455-R458 PolarHBondContact O-N 3.4Å; R458-R460 VanDerWaalsContact C-N 3.34Å; R458-R460 PolarHBondContact O-N 2.74Å; R458-T461 CarbonylContact O-C 3.57Å; R458-T461 WeakPolarHBondContact O-CA 3.24Å; R458-T461 WeakPolarHBondContact O-CB 3.35Å; R458-T461 PolarHBondContact O-N 2.86Å; R458-Y462 PolarHBondContact O-N 2.72Å
459I96.3Very high92.3Very high0 Ų079.2 Ų79.20%035%0.354CS..Hα-helixtrans-51.7-51.4174.7-62.9165.1000110.6V415 V419 L423 I429 I440 I441 A455 T461 Y462 L463V415-I459 HydrophobicContact CG1-CG1 3.68Å; V419-I459 HydrophobicContact CG2-CB 4.29Å; V419-I459 HydrophobicContact CG2-CG1 3.89Å; V419-I459 HydrophobicContact CG2-CG2 3.89Å; L423-I459 HydrophobicContact CD1-CG2 4.08Å; I429-I459 HydrophobicContact CD1-CB 4.24Å; I429-I459 HydrophobicContact CD1-CG2 3.82Å; I429-I459 HydrophobicContact CG1-CG2 4.4Å; I440-I459 HydrophobicContact CB-CD1 4.28Å; I440-I459 HydrophobicContact CG2-CD1 3.83Å; I440-I459 HydrophobicContact CG2-CG1 4.38Å; I441-I459 HydrophobicContact CG1-CD1 3.86Å; A455-I459 WeakPolarHBondContact O-CG1 3.32Å; A455-I459 PolarHBondContact O-N 3.05Å; I459-T461 VanDerWaalsContact C-N 3.26Å; I459-T461 PolarHBondContact O-N 3.23Å; I459-Y462 PolarHBondContact O-N 3.08Å; I459-L463 HydrophobicContact CG2-CD1 4.03Å; I459-L463 PolarHBondContact O-N 2.78Å
460R96.1Very high91.4Very high106 Ų10682.7 Ų82.740%0.436%0.363SS..Hα-helixtrans-58.4-36.9177.5-177.5-173.3-60.6137.5-0.8112.9I429 R456 R458 K464I429-R460 HydrophobicContact CD1-CB 3.88Å; I429-R460 HydrophobicContact CG2-CB 4.23Å; I429-R460 HydrophobicContact CG2-CG 3.93Å; R456-R460 WeakPolarHBondContact O-CB 3.14Å; R456-R460 PolarHBondContact O-N 3.17Å; R458-R460 VanDerWaalsContact C-N 3.34Å; R458-R460 PolarHBondContact O-N 2.74Å; R460-K464 WeakPolarHBondContact O-CB 3.06Å; R460-K464 PolarHBondContact O-N 3.05Å
461T95.5Very high90.3Very high72 Ų7289 Ų8944%0.44238%0.382SS..Hα-helixtrans-76.2-39.5-179.1-58.10000111K457 R458 I459 K464 S465K457-T461 WeakPolarHBondContact O-CB 3.44Å; K457-T461 PolarHBondContact O-N 3.47Å; K457-T461 VanDerWaalsContact O-N 3.11Å; K457-T461 PolarHBondContact O-OG1 2.93Å; R458-T461 CarbonylContact O-C 3.57Å; R458-T461 WeakPolarHBondContact O-CA 3.24Å; R458-T461 WeakPolarHBondContact O-CB 3.35Å; R458-T461 PolarHBondContact O-N 2.86Å; I459-T461 VanDerWaalsContact C-N 3.26Å; I459-T461 PolarHBondContact O-N 3.23Å; T461-K464 WeakPolarHBondContact O-CB 3.39Å; T461-K464 PolarHBondContact O-N 3.41Å; T461-S465 PolarHBondContact O-N 3.21Å
462Y96Very high88.8Confident38 Ų3893.2 Ų93.215%0.14941%0.412CS..Hα-helixtrans-66.1-52.5177.7-173.2-130.1000111.8R416 V419 D420 R458 I459 K464 S465 C466R416-Y462 HydrophobicContact CB-CD1 4.32Å; R416-Y462 HydrophobicContact CB-CE1 3.83Å; R416-Y462 HydrophobicContact CG-CD1 4.06Å; R416-Y462 HydrophobicContact CG-CD2 3.99Å; R416-Y462 HydrophobicContact CG-CE1 3.85Å; R416-Y462 HydrophobicContact CG-CE2 3.8Å; R416-Y462 HydrophobicContact CG-CG 4.15Å; V419-Y462 HydrophobicContact CB-CD1 4.06Å; V419-Y462 HydrophobicContact CB-CE1 4.44Å; V419-Y462 HydrophobicContact CG1-CD1 3.81Å; V419-Y462 HydrophobicContact CG1-CE1 4.28Å; D420-Y462 VanDerWaalsContact OD1-CE1 3.29Å; D420-Y462 WeakPolarHBondContact OD1-CE1 3.41Å; D420-Y462 PolarHBondContact OD1-OH 3.34Å; D420-Y462 PolarHBondContact OD2-OH 2.83Å; R458-Y462 PolarHBondContact O-N 2.72Å; I459-Y462 PolarHBondContact O-N 3.08Å; Y462-K464 PolarHBondContact O-N 2.89Å; Y462-K464 VanDerWaalsContact O-N 3.11Å; Y462-S465 CarbonylContact O-C 3.58Å; Y462-S465 VanDerWaalsContact O-CA 3.32Å; Y462-S465 WeakPolarHBondContact O-CA 3.49Å; Y462-S465 WeakPolarHBondContact O-CB 3.27Å; Y462-S465 PolarHBondContact O-N 3.27Å; Y462-C466 PolarHBondContact O-N 2.7Å; Y462-C466 PolarHBondContact O-SG 3.19Å
463L95.3Very high87Confident0 Ų093 Ų930%043%0.43CS..Hα-helixtrans-55.3-33.2173.6-70173.8000112.9V419 L423 I429 Q432 I459 R467V419-L463 HydrophobicContact CG1-CD2 3.62Å; V419-L463 HydrophobicContact CG1-CG 3.91Å; L423-L463 HydrophobicContact CD1-CD1 4.3Å; I429-L463 HydrophobicContact CB-CD1 4.2Å; I429-L463 HydrophobicContact CG1-CD1 4.47Å; Q432-L463 HydrophobicContact CG-CD1 4.25Å; I459-L463 HydrophobicContact CG2-CD1 4.03Å; I459-L463 PolarHBondContact O-N 2.78Å; L463-R467 PolarHBondContact O-N 2.99Å; L463-R467 PolarHBondContact O-NH1 3.07Å; L463-R467 PolarHBondContact O-NH2 3.23Å
464K94.5Very high84.9Confident133 Ų13391.1 Ų91.158%0.57842%0.42SS*.Hα-helixtrans-68.4-38.1173.1-173.7-168.7-63.8-179.50111.7R460 T461 Y462 R468R460-K464 WeakPolarHBondContact O-CB 3.06Å; R460-K464 PolarHBondContact O-N 3.05Å; T461-K464 WeakPolarHBondContact O-CB 3.39Å; T461-K464 PolarHBondContact O-N 3.41Å; Y462-K464 PolarHBondContact O-N 2.89Å; Y462-K464 VanDerWaalsContact O-N 3.11Å; K464-R468 PolarHBondContact O-N 3.19Å; K464-R468 VanDerWaalsContact O-N 3.1Å
465S90.7Very high82.7Confident63 Ų6392.3 Ų92.344%0.44143%0.431SS..Hα-helixtrans-65.1-47.1175.7-157.30000111.5T461 Y462 R467 R468 M469T461-S465 PolarHBondContact O-N 3.21Å; Y462-S465 CarbonylContact O-C 3.58Å; Y462-S465 VanDerWaalsContact O-CA 3.32Å; Y462-S465 WeakPolarHBondContact O-CA 3.49Å; Y462-S465 WeakPolarHBondContact O-CB 3.27Å; Y462-S465 PolarHBondContact O-N 3.27Å; S465-R467 PolarHBondContact O-N 3.07Å; S465-R468 PolarHBondContact O-N 3.18Å; S465-M469 PolarHBondContact O-N 3.2Å
466C92Very high80.7Confident10 Ų1097.6 Ų97.67%0.06846%0.457CS..Hα-helixtrans-57.8-48179.6-52.60000111.5R425 Y462 R468 M469 K470R425-C466 HydrophobicContact CB-CB 4.12Å; Y462-C466 PolarHBondContact O-N 2.7Å; Y462-C466 PolarHBondContact O-SG 3.19Å; C466-R468 VanDerWaalsContact C-N 3.33Å; C466-R468 PolarHBondContact O-N 2.73Å; C466-M469 PolarHBondContact O-N 3.12Å; C466-K470 PolarHBondContact O-N 3.39Å; C466-K470 VanDerWaalsContact O-N 3.09Å
467R92.7Very high78.3Confident64 Ų6494.6 Ų94.624%0.24246%0.459CS..Hα-helixtrans-62-33172.8-79.2-171.5-64.3-72.22114.5M426 V427 L463 S465 R471M426-R467 HydrophobicContact CE-CG 4.49Å; M426-R467 WeakPolarHBondContact O-CD 3.33Å; M426-R467 WeakPolarHBondContact O-CG 3.32Å; V427-R467 PolarHBondContact O-NH1 3.1Å; L463-R467 PolarHBondContact O-N 2.99Å; L463-R467 PolarHBondContact O-NH1 3.07Å; L463-R467 PolarHBondContact O-NH2 3.23Å; S465-R467 PolarHBondContact O-N 3.07Å; R467-R471 WeakPolarHBondContact O-CB 3.25Å; R467-R471 PolarHBondContact O-N 3.01Å
468R85.2Confident75.7Confident187 Ų18794 Ų9471%0.70645%0.452SS*.Hα-helixtrans-71.5-41175.8-172.8-178.6179.6-163.5-1.9110.6K464 S465 C466 R471 S472K464-R468 PolarHBondContact O-N 3.19Å; K464-R468 VanDerWaalsContact O-N 3.1Å; S465-R468 PolarHBondContact O-N 3.18Å; C466-R468 VanDerWaalsContact C-N 3.33Å; C466-R468 PolarHBondContact O-N 2.73Å; R468-R471 PolarHBondContact O-N 3.09Å; R468-S472 PolarHBondContact O-N 3.08Å
469M73.2Confident73.4Confident96 Ų9696 Ų9647%0.47347%0.474SS..Hα-helixtrans-64.8-51.6-178.5-162.867.385.400111.5S465 C466 R471 S472 F474S465-M469 PolarHBondContact O-N 3.2Å; C466-M469 PolarHBondContact O-N 3.12Å; M469-R471 VanDerWaalsContact C-N 3.26Å; M469-R471 PolarHBondContact O-N 2.95Å; M469-S472 WeakPolarHBondContact O-CA 3.47Å; M469-S472 VanDerWaalsContact O-CB 3.26Å; M469-S472 WeakPolarHBondContact O-CB 3.36Å; M469-S472 PolarHBondContact O-N 3.32Å; M469-F474 HydrophobicContact SD-CB 4.28Å
470K73.6Confident71Confident131 Ų131100 Ų10057%0.5750%0.495SS*.Hα-helixtrans-59.9-35.1177.6-167-179.6-175175.50112.6M426 C466 S472 G473M426-K470 HydrophobicContact CE-CD 3.87Å; M426-K470 HydrophobicContact SD-CB 4.33Å; M426-K470 HydrophobicContact SD-CD 3.39Å; M426-K470 WeakPolarHBondContact SD-CD 3.47Å; M426-K470 HydrophobicContact SD-CG 4.45Å; C466-K470 PolarHBondContact O-N 3.39Å; C466-K470 VanDerWaalsContact O-N 3.09Å; K470-S472 PolarHBondContact O-N 3.04Å; K470-G473 PolarHBondContact O-N 3.07Å
471R66.5Low68.4Low228 Ų22898.1 Ų98.186%0.8650%0.496SS*.Hα-helixtrans-68.6-18.5173.8-175173.3-66.5-170.4-3.1113.3R467 R468 M469 G473R467-R471 WeakPolarHBondContact O-CB 3.25Å; R467-R471 PolarHBondContact O-N 3.01Å; R468-R471 PolarHBondContact O-N 3.09Å; M469-R471 VanDerWaalsContact C-N 3.26Å; M469-R471 PolarHBondContact O-N 2.95Å; R471-G473 VanDerWaalsContact C-N 3.34Å
472S61Low66Low91 Ų9198.6 Ų98.664%0.63650%0.502SS*.THydrogen-bonded Turntrans-87.10.4177.9-160.40000113.8R468 M469 K470 F474R468-S472 PolarHBondContact O-N 3.08Å; M469-S472 WeakPolarHBondContact O-CA 3.47Å; M469-S472 VanDerWaalsContact O-CB 3.26Å; M469-S472 WeakPolarHBondContact O-CB 3.36Å; M469-S472 PolarHBondContact O-N 3.32Å; K470-S472 PolarHBondContact O-N 3.04Å; S472-F474 PolarHBondContact O-N 3.28Å
473G50.1Low63.7Low70 Ų70105.1 Ų105.172%0.72253%0.534SS*.THydrogen-bonded Turntrans71.210.6178.800000115.3K470 R471K470-G473 PolarHBondContact O-N 3.07Å; R471-G473 VanDerWaalsContact C-N 3.34Å
474F48.6Very low61.8Low133 Ų133111.2 Ų111.258%0.58357%0.566SS**  trans-88129.7175-160.4-96.8000109.3M469 S472M469-F474 HydrophobicContact SD-CB 4.28Å; S472-F474 PolarHBondContact O-N 3.28Å
475E47.3Very low60.5Low154 Ų154106.1 Ų106.172%0.7255%0.545SS*.  trans-67.5159.2-170.8-71.3-147.6126.500114.5S477E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 WeakPolarHBondContact CB-OG 3.47Å; E475-S477 PolarHBondContact O-N 3.46Å; E475-S477 PolarHBondContact OE2-OG 2.84Å
476M52.5Low60Low111 Ų111104.7 Ų104.755%0.54754%0.536SS..SBendtrans-87.511.4-174.3-151.276.3-17800113.2
477S44.2Very low59.7Low87 Ų87108 Ų10861%0.60856%0.564SS**  trans-110.226.4-157.245.90000114.4E475E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 WeakPolarHBondContact CB-OG 3.47Å; E475-S477 PolarHBondContact O-N 3.46Å; E475-S477 PolarHBondContact OE2-OG 2.84Å
478R42.7Very low59.4Low133 Ų133108.4 Ų108.450%0.50257%0.573SS.*  trans-119.7116.7169-160177.5-64.3-135.91.3111.1N191N191-R478 PolarHBondContact O-NH1 2.97Å; N191-R478 PolarHBondContact OD1-NH2 2.61Å
479P47.7Very low59.5Low109 Ų10999.5 Ų99.571%0.70854%0.539SS*.PPolyproline II helixtrans-53.3154.7166.2-25.635.2000111.4P481P479-P481 WeakPolarHBondContact O-CD 3.33Å
480I44.7Very low60.3Low85 Ų8598.6 Ų98.644%0.43653%0.534SS..PPolyproline II helixtrans-62.2123.6170.5-58.9176.7000107.1M413 S482M413-I480 HydrophobicContact CE-CG2 4.22Å; M413-I480 HydrophobicContact SD-CD1 3.85Å; I480-S482 PolarHBondContact O-N 3.31Å
481P41.4Very low61.1Low65 Ų6596.2 Ų96.242%0.42253%0.534SS..PPolyproline II helixtrans-61.1122.1174.9-21.833.3000109.5P479 H483 L484P479-P481 WeakPolarHBondContact O-CD 3.33Å; P481-H483 PolarHBondContact O-N 3.05Å; P481-L484 HydrophobicContact CB-CD1 4.48Å; P481-L484 HydrophobicContact CB-CG 4.45Å; P481-L484 HydrophobicContact CG-CD1 4.37Å; P481-L484 PolarHBondContact O-N 3.4Å; P481-L484 VanDerWaalsContact O-N 3.12Å
482S45.8Very low62.4Low82 Ų8287 Ų8757%0.57350%0.501SS*.G310 helixtrans-51.7-40.5-179.244.80000112.1I480 L484 T485I480-S482 PolarHBondContact O-N 3.31Å; S482-L484 PolarHBondContact O-N 3.27Å; S482-T485 PolarHBondContact O-N 3.14Å; S482-T485 PolarHBondContact O-OG1 3.02Å; S482-T485 VanDerWaalsContact O-OG1 3.11Å
483H48.9Very low63.9Low176 Ų17683.9 Ų83.982%0.81548%0.477SS*.G310 helixtrans-57.94.7175.9-90.5-64.5000117.4P481P481-H483 PolarHBondContact O-N 3.05Å
484L55.5Low65.9Low128 Ų12882.8 Ų82.867%0.6746%0.461SS*.G310 helixtrans-100.9-6.1172.2-62.7179.9000114P481 S482P481-L484 HydrophobicContact CB-CD1 4.48Å; P481-L484 HydrophobicContact CB-CG 4.45Å; P481-L484 HydrophobicContact CG-CD1 4.37Å; P481-L484 PolarHBondContact O-N 3.4Å; P481-L484 VanDerWaalsContact O-N 3.12Å; S482-L484 PolarHBondContact O-N 3.27Å
485T65.8Low68.1Low25 Ų2579.6 Ų79.615%0.15346%0.456CS..SBendtrans-105.3142.5166.4200000109.5M413 S482 A489 E490M413-T485 HydrophobicContact CE-CG2 4.42Å; M413-T485 HydrophobicContact CG-CG2 3.93Å; S482-T485 PolarHBondContact O-N 3.14Å; S482-T485 PolarHBondContact O-OG1 3.02Å; S482-T485 VanDerWaalsContact O-OG1 3.11Å; T485-A489 HydrophobicContact CG2-CB 4.49Å; T485-E490 VanDerWaalsContact CB-CG 3.49Å; T485-E490 WeakPolarHBondContact CB-OE1 3.41Å; T485-E490 HydrophobicContact CG2-CG 4.39Å; T485-E490 PolarHBondContact OG1-OE1 3Å
486S80.6Confident70.2Confident34 Ų3472.5 Ų72.524%0.23842%0.423CS..  trans-86.1148.1171.140.60000109.5E406 K409 V488 A489 E490E406-S486 WeakPolarHBondContact OE1-CB 3.26Å; E406-S486 PolarHBondContact OE1-OG 2.95Å; K409-S486 PolarHBondContact NZ-OG 2.81Å; S486-V488 PolarHBondContact O-N 2.94Å; S486-A489 CarbonylContact O-C 3.52Å; S486-A489 WeakPolarHBondContact O-CA 3.34Å; S486-A489 WeakPolarHBondContact O-CB 3.47Å; S486-A489 PolarHBondContact O-N 3.45Å; S486-E490 PolarHBondContact O-N 3.04Å
487A84.9Confident72.1Confident79 Ų7969.1 Ų69.165%0.65341%0.41SS*.Hα-helixtrans-54-35.2-170.400000113.9E490 S491A487-E490 PolarHBondContact O-N 3.08Å; A487-S491 WeakPolarHBondContact O-CB 3.45Å; A487-S491 PolarHBondContact O-N 2.92Å
488V86.6Confident74.3Confident72 Ų7270.2 Ų70.244%0.43641%0.406SS..Hα-helixtrans-65.1-43.1173.5-178.80000111.6E406 S486 E490 S491 I492E406-V488 HydrophobicContact CB-CG1 4.48Å; E406-V488 WeakPolarHBondContact OE2-CB 3.49Å; E406-V488 WeakPolarHBondContact OE2-CG1 3.3Å; S486-V488 PolarHBondContact O-N 2.94Å; V488-E490 VanDerWaalsContact C-N 3.28Å; V488-E490 PolarHBondContact O-N 3.08Å; V488-S491 PolarHBondContact O-N 3.23Å; V488-I492 HydrophobicContact CG1-CD1 3.95Å; V488-I492 VanDerWaalsContact O-CG1 3.25Å; V488-I492 WeakPolarHBondContact O-CG1 3.46Å; V488-I492 PolarHBondContact O-N 3.03Å
489A88.6Confident76.5Confident0 Ų065.5 Ų65.50%039%0.393CS..Hα-helixtrans-66.7-28174.600000112.8E406 K409 A410 T485 S486 L493E406-A489 HydrophobicContact CB-CB 4.22Å; E406-A489 WeakPolarHBondContact O-CB 3.25Å; K409-A489 HydrophobicContact CB-CB 3.79Å; K409-A489 HydrophobicContact CD-CB 4.18Å; A410-A489 WeakPolarHBondContact CB-O 3.32Å; T485-A489 HydrophobicContact CG2-CB 4.49Å; S486-A489 CarbonylContact O-C 3.52Å; S486-A489 WeakPolarHBondContact O-CA 3.34Å; S486-A489 WeakPolarHBondContact O-CB 3.47Å; S486-A489 PolarHBondContact O-N 3.45Å; A489-L493 VanDerWaalsContact O-CB 3.24Å; A489-L493 WeakPolarHBondContact O-CB 3.44Å; A489-L493 PolarHBondContact O-N 3.47Å; A489-L493 VanDerWaalsContact O-N 3.09Å
490E88.6Confident78.5Confident78 Ų7861 Ų6136%0.36436%0.362SS..Hα-helixtrans-73.2-42.9172-59.1-168.9152.300111.5T485 S486 A487 V488 L493 A494T485-E490 VanDerWaalsContact CB-CG 3.49Å; T485-E490 WeakPolarHBondContact CB-OE1 3.41Å; T485-E490 HydrophobicContact CG2-CG 4.39Å; T485-E490 PolarHBondContact OG1-OE1 3Å; S486-E490 PolarHBondContact O-N 3.04Å; A487-E490 PolarHBondContact O-N 3.08Å; V488-E490 VanDerWaalsContact C-N 3.28Å; V488-E490 PolarHBondContact O-N 3.08Å; E490-L493 WeakPolarHBondContact O-CB 3.35Å; E490-L493 PolarHBondContact O-N 3.27Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.92Å
491S92.1Very high80.5Confident80 Ų8060.3 Ų60.356%0.55937%0.365SS*.Hα-helixtrans-60.1-46.7173.5179.80000112.3A487 V488 L493 A494 S495A487-S491 WeakPolarHBondContact O-CB 3.45Å; A487-S491 PolarHBondContact O-N 2.92Å; V488-S491 PolarHBondContact O-N 3.23Å; S491-L493 VanDerWaalsContact C-N 3.3Å; S491-L493 PolarHBondContact O-N 2.83Å; S491-A494 PolarHBondContact O-N 3.08Å; S491-S495 WeakPolarHBondContact O-CB 3.47Å; S491-S495 PolarHBondContact O-N 2.97Å
492I92.5Very high82.7Confident36 Ų3663.7 Ų63.719%0.18537%0.37CS..Hα-helixtrans-60.5-40.6174.2-66.3165.8000110.8R407 A410 F448 V488 A496R407-I492 HydrophobicContact CB-CD1 4.46Å; A410-I492 HydrophobicContact CB-CB 3.9Å; A410-I492 HydrophobicContact CB-CG2 3.56Å; F448-I492 HydrophobicContact CE1-CG2 3.84Å; F448-I492 HydrophobicContact CZ-CG2 4.24Å; V488-I492 HydrophobicContact CG1-CD1 3.95Å; V488-I492 VanDerWaalsContact O-CG1 3.25Å; V488-I492 WeakPolarHBondContact O-CG1 3.46Å; V488-I492 PolarHBondContact O-N 3.03Å; I492-A496 VanDerWaalsContact O-CB 3.25Å; I492-A496 WeakPolarHBondContact O-CB 3.43Å; I492-A496 PolarHBondContact O-N 2.85Å
493L93.6Very high84.6Confident25 Ų2562 Ų6213%0.13135%0.354CS..Hα-helixtrans-67-45.3178.1178.964.6000112.3A410 M413 F414 L417 A489 E490 S491 A496 C497A410-L493 HydrophobicContact CB-CB 4.31Å; M413-L493 HydrophobicContact CB-CD1 4.03Å; M413-L493 HydrophobicContact CB-CD2 3.61Å; M413-L493 HydrophobicContact CB-CG 4.45Å; M413-L493 HydrophobicContact CG-CD2 4.35Å; F414-L493 HydrophobicContact CB-CD1 3.78Å; F414-L493 HydrophobicContact CD2-CD1 4.31Å; L417-L493 HydrophobicContact CD1-CD1 4.26Å; L417-L493 HydrophobicContact CD1-CD2 4.28Å; A489-L493 VanDerWaalsContact O-CB 3.24Å; A489-L493 WeakPolarHBondContact O-CB 3.44Å; A489-L493 PolarHBondContact O-N 3.47Å; A489-L493 VanDerWaalsContact O-N 3.09Å; E490-L493 WeakPolarHBondContact O-CB 3.35Å; E490-L493 PolarHBondContact O-N 3.27Å; S491-L493 VanDerWaalsContact C-N 3.3Å; S491-L493 PolarHBondContact O-N 2.83Å; L493-A496 PolarHBondContact O-N 3.35Å; L493-C497 PolarHBondContact O-N 2.82Å; L493-C497 PolarHBondContact O-SG 3.09Å; L493-C497 VanDerWaalsContact O-SG 3.37Å
494A91.9Very high86.2Confident46 Ų4656 Ų5638%0.3834%0.335SS..Hα-helixtrans-60.8-50.7177.800000110.8E490 S491 A496 C497 E498E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.92Å; S491-A494 PolarHBondContact O-N 3.08Å; A494-A496 VanDerWaalsContact C-N 3.31Å; A494-A496 PolarHBondContact O-N 2.86Å; A494-C497 PolarHBondContact O-N 3.17Å; A494-C497 VanDerWaalsContact O-N 3.08Å; A494-E498 WeakPolarHBondContact O-CG 3.43Å; A494-E498 PolarHBondContact O-N 3.21Å
495S93.3Very high87.6Confident67 Ų6752.8 Ų52.847%0.46933%0.327SS..Hα-helixtrans-57.3-41.7176.6-176.50000112.6S491 E498 S499S491-S495 WeakPolarHBondContact O-CB 3.47Å; S491-S495 PolarHBondContact O-N 2.97Å; S495-E498 PolarHBondContact O-N 2.85Å; S495-S499 WeakPolarHBondContact O-CB 3.29Å; S495-S499 PolarHBondContact O-N 2.72Å; S495-S499 PolarHBondContact O-OG 3.32Å; S495-S499 VanDerWaalsContact O-OG 3.13Å
496A92.1Very high88.5Confident5 Ų558.9 Ų58.94%0.04135%0.351CS..Hα-helixtrans-66.9-34.6175.600000113.6F414 Q447 F448 I492 L493 A494 S499 E500F414-A496 HydrophobicContact CD2-CB 4.04Å; F414-A496 HydrophobicContact CE2-CB 4.12Å; Q447-A496 HydrophobicContact CB-CB 3.98Å; Q447-A496 HydrophobicContact CG-CB 4.12Å; Q447-A496 PolarHBondContact NE2-O 3.23Å; F448-A496 HydrophobicContact CE2-CB 4.04Å; F448-A496 HydrophobicContact CZ-CB 4Å; I492-A496 VanDerWaalsContact O-CB 3.25Å; I492-A496 WeakPolarHBondContact O-CB 3.43Å; I492-A496 PolarHBondContact O-N 2.85Å; L493-A496 PolarHBondContact O-N 3.35Å; A494-A496 VanDerWaalsContact C-N 3.31Å; A494-A496 PolarHBondContact O-N 2.86Å; A496-S499 PolarHBondContact O-OG 3.4Å; A496-E500 WeakPolarHBondContact O-CB 3.39Å; A496-E500 PolarHBondContact O-N 3.35Å
497C92.3Very high88.4Confident39 Ų3963.8 Ų63.826%0.26436%0.364SS..Hα-helixtrans-72.8-42.1174.1-73.40000111.8L493 A494 E500 S501L493-C497 PolarHBondContact O-N 2.82Å; L493-C497 PolarHBondContact O-SG 3.09Å; L493-C497 VanDerWaalsContact O-SG 3.37Å; A494-C497 PolarHBondContact O-N 3.17Å; A494-C497 VanDerWaalsContact O-N 3.08Å; C497-E500 PolarHBondContact O-N 3.45Å; C497-S501 PolarHBondContact O-N 2.97Å; C497-S501 PolarHBondContact O-OG 3.03Å
498E90.1Very high87.8Confident111 Ų11165.9 Ų65.952%0.51936%0.362SS..Hα-helixtrans-68.4-37.1178-74.2177.7-162.200113.6A494 S495 E500 S501 R502A494-E498 WeakPolarHBondContact O-CG 3.43Å; A494-E498 PolarHBondContact O-N 3.21Å; S495-E498 PolarHBondContact O-N 2.85Å; E498-E500 VanDerWaalsContact C-N 3.31Å; E498-S501 WeakPolarHBondContact CA-OG 3.04Å; E498-S501 PolarHBondContact O-OG 3.23Å; E498-S501 VanDerWaalsContact O-OG 3.09Å; E498-R502 VanDerWaalsContact O-CB 3.3Å; E498-R502 WeakPolarHBondContact O-CB 3.49Å; E498-R502 VanDerWaalsContact O-CG 3.22Å; E498-R502 WeakPolarHBondContact O-CG 3.4Å; E498-R502 PolarHBondContact O-N 3.41Å; E498-R502 PolarHBondContact O-NE 3.48Å
499S88.8Confident87.4Confident34 Ų3471.4 Ų71.424%0.23838%0.375CS..Hα-helixtrans-70.8-31.7175.568.40000111Q447 S495 A496 N503Q447-S499 PolarHBondContact NE2-OG 3.06Å; Q447-S499 PolarHBondContact OE1-OG 2.95Å; S495-S499 WeakPolarHBondContact O-CB 3.29Å; S495-S499 PolarHBondContact O-N 2.72Å; S495-S499 PolarHBondContact O-OG 3.32Å; S495-S499 VanDerWaalsContact O-OG 3.13Å; A496-S499 PolarHBondContact O-OG 3.4Å; S499-N503 WeakPolarHBondContact O-CB 3.27Å; S499-N503 PolarHBondContact O-N 3.02Å
500E90.3Very high86.3Confident13 Ų1376.9 Ų76.96%0.06140%0.404CS..Hα-helixtrans-73.7-42.5175.1-16761.2-163.900112.5F414 F418 S443 R446 Q447 A496 C497 E498 R502 N503 A504F414-E500 HydrophobicContact CZ-CG 4.49Å; F418-E500 HydrophobicContact CE1-CG 3.83Å; F418-E500 HydrophobicContact CZ-CB 4.13Å; F418-E500 HydrophobicContact CZ-CG 3.63Å; S443-E500 WeakPolarHBondContact CB-OE1 3.38Å; S443-E500 VanDerWaalsContact OG-CD 3.29Å; S443-E500 PolarHBondContact OG-OE1 2.96Å; R446-E500 IonicContact CZ-OE1 3.37Å; R446-E500 IonicContact CZ-OE2 3.23Å; R446-E500 VanDerWaalsContact CZ-OE2 3.29Å; R446-E500 IonicContact NH1-OE1 2.73Å; R446-E500 PolarHBondContact NH1-OE1 3.07Å; R446-E500 IonicContact NH1-OE2 2.82Å; R446-E500 PolarHBondContact NH1-OE2 2.94Å; R446-E500 IonicContact NH2-OE1 3.46Å; R446-E500 PolarHBondContact NH2-OE1 3.16Å; R446-E500 IonicContact NH2-OE2 3.27Å; R446-E500 PolarHBondContact NH2-OE2 3.2Å; Q447-E500 PolarHBondContact NE2-OE2 2.75Å; A496-E500 WeakPolarHBondContact O-CB 3.39Å; A496-E500 PolarHBondContact O-N 3.35Å; C497-E500 PolarHBondContact O-N 3.45Å; E498-E500 VanDerWaalsContact C-N 3.31Å; E500-R502 VanDerWaalsContact C-N 3.34Å; E500-R502 PolarHBondContact O-N 3.11Å; E500-N503 CarbonylContact O-C 3.53Å; E500-N503 WeakPolarHBondContact O-CA 3.38Å; E500-N503 WeakPolarHBondContact O-CB 3.38Å; E500-N503 PolarHBondContact O-N 2.78Å; E500-A504 PolarHBondContact O-N 3.28Å
501S87.1Confident84.8Confident72 Ų7278.8 Ų78.850%0.50341%0.413SS..Hα-helixtrans-63.5-39.9173.968.70000111.4C497 E498 N503 A504 A505C497-S501 PolarHBondContact O-N 2.97Å; C497-S501 PolarHBondContact O-OG 3.03Å; E498-S501 WeakPolarHBondContact CA-OG 3.04Å; E498-S501 PolarHBondContact O-OG 3.23Å; E498-S501 VanDerWaalsContact O-OG 3.09Å; S501-N503 VanDerWaalsContact C-N 3.29Å; S501-N503 PolarHBondContact O-N 2.64Å; S501-A504 PolarHBondContact O-N 3.44Å; S501-A505 WeakPolarHBondContact O-CB 3.39Å; S501-A505 PolarHBondContact O-N 2.82Å
502R87.7Confident83.1Confident136 Ų13684.1 Ų84.151%0.51342%0.421SS..Hα-helixtrans-62-32.5169.1-75.8176.7-71.4175.5-6.6112.9E498 E500 K506E498-R502 VanDerWaalsContact O-CB 3.3Å; E498-R502 WeakPolarHBondContact O-CB 3.49Å; E498-R502 VanDerWaalsContact O-CG 3.22Å; E498-R502 WeakPolarHBondContact O-CG 3.4Å; E498-R502 PolarHBondContact O-N 3.41Å; E498-R502 PolarHBondContact O-NE 3.48Å; E500-R502 VanDerWaalsContact C-N 3.34Å; E500-R502 PolarHBondContact O-N 3.11Å; R502-K506 WeakPolarHBondContact O-CB 2.94Å; R502-K506 VanDerWaalsContact O-CG 3.29Å; R502-K506 WeakPolarHBondContact O-CG 3.36Å; R502-K506 PolarHBondContact O-N 2.96Å; R502-K506 VanDerWaalsContact O-N 3.08Å
503N84.9Confident81.3Confident47 Ų4787.4 Ų87.425%0.25144%0.435SS..Hα-helixtrans-72.1-42.9174.9-167-91.4000112R446 S499 E500 S501 K506 R507R446-N503 PolarHBondContact NH1-OD1 3.22Å; S499-N503 WeakPolarHBondContact O-CB 3.27Å; S499-N503 PolarHBondContact O-N 3.02Å; E500-N503 CarbonylContact O-C 3.53Å; E500-N503 WeakPolarHBondContact O-CA 3.38Å; E500-N503 WeakPolarHBondContact O-CB 3.38Å; E500-N503 PolarHBondContact O-N 2.78Å; S501-N503 VanDerWaalsContact C-N 3.29Å; S501-N503 PolarHBondContact O-N 2.64Å; N503-K506 PolarHBondContact O-N 3.36Å; N503-R507 PolarHBondContact O-N 3.31Å; N503-R507 PolarHBondContact OD1-NE 3Å; N503-R507 PolarHBondContact OD1-NH1 3.28Å; N503-R507 VanDerWaalsContact OD1-NH1 3.12Å
504A84.1Confident79.3Confident48 Ų4893.5 Ų93.540%0.39746%0.463SS..Hα-helixtrans-59.9-49173.600000111.2E500 S501 K506 R507 M508E500-A504 PolarHBondContact O-N 3.28Å; S501-A504 PolarHBondContact O-N 3.44Å; A504-K506 VanDerWaalsContact C-N 3.3Å; A504-K506 PolarHBondContact O-N 2.7Å; A504-R507 WeakPolarHBondContact O-CB 3.46Å; A504-R507 PolarHBondContact O-N 2.96Å; A504-M508 WeakPolarHBondContact O-CG 3.47Å; A504-M508 PolarHBondContact O-N 3.37Å
505A84.5Confident77.3Confident61 Ų6198.3 Ų98.350%0.50448%0.483SS..Hα-helixtrans-59.1-38.117600000112.9S501 R509S501-A505 WeakPolarHBondContact O-CB 3.39Å; S501-A505 PolarHBondContact O-N 2.82Å; A505-R509 WeakPolarHBondContact O-CB 3.36Å; A505-R509 PolarHBondContact O-N 2.81Å
506K83.9Confident75.1Confident154 Ų154103 Ų10367%0.6750%0.497SS*.Hα-helixtrans-64.5-37.9173-79.7178.5178-172.60112.7R502 N503 A504 L510R502-K506 WeakPolarHBondContact O-CB 2.94Å; R502-K506 VanDerWaalsContact O-CG 3.29Å; R502-K506 WeakPolarHBondContact O-CG 3.36Å; R502-K506 PolarHBondContact O-N 2.96Å; R502-K506 VanDerWaalsContact O-N 3.08Å; N503-K506 PolarHBondContact O-N 3.36Å; A504-K506 VanDerWaalsContact C-N 3.3Å; A504-K506 PolarHBondContact O-N 2.7Å; K506-L510 PolarHBondContact O-N 3.4Å; K506-L510 VanDerWaalsContact O-N 3.07Å
507R78.3Confident72.9Confident136 Ų136107.3 Ų107.351%0.51353%0.527SS..Hα-helixtrans-65.1-52.7174.7-74174170.4146-2.3111.5N503 A504 R509 L510 E511N503-R507 PolarHBondContact O-N 3.31Å; N503-R507 PolarHBondContact OD1-NE 3Å; N503-R507 PolarHBondContact OD1-NH1 3.28Å; N503-R507 VanDerWaalsContact OD1-NH1 3.12Å; A504-R507 WeakPolarHBondContact O-CB 3.46Å; A504-R507 PolarHBondContact O-N 2.96Å; R507-R509 PolarHBondContact O-N 3.07Å; R507-L510 PolarHBondContact O-N 3.3Å; R507-E511 PolarHBondContact O-N 2.48Å
508M72.4Confident70Confident124 Ų124109.5 Ų109.561%0.61155%0.548SS*.Hα-helixtrans-55.5-37.2177-60-57.4-54.800112.2A504 R512A504-M508 WeakPolarHBondContact O-CG 3.47Å; A504-M508 PolarHBondContact O-N 3.37Å; M508-R512 PolarHBondContact O-N 3.41Å
509R78.6Confident67.9Low187 Ų187110.6 Ų110.671%0.70656%0.564SS**Hα-helixtrans-73.4-28.7176.4-175.5169.4177.4157.61.7113.3A505 R507 Q513A505-R509 WeakPolarHBondContact O-CB 3.36Å; A505-R509 PolarHBondContact O-N 2.81Å; R507-R509 PolarHBondContact O-N 3.07Å; R509-Q513 PolarHBondContact O-NE2 3.09Å
510L66.2Low65.4Low115 Ų115114.1 Ų114.160%0.60260%0.595SS**Hα-helixtrans-77.7-40.4177.3-154.279.7000111.4K506 R507 R512 Q513 Q514K506-L510 PolarHBondContact O-N 3.4Å; K506-L510 VanDerWaalsContact O-N 3.07Å; R507-L510 PolarHBondContact O-N 3.3Å; L510-R512 PolarHBondContact O-N 3.04Å; L510-Q513 PolarHBondContact O-N 3.49Å; L510-Q514 PolarHBondContact O-N 3.19Å
511E55.6Low62.9Low118 Ų118120.3 Ų120.355%0.55163%0.629SS**Hα-helixtrans-55.2-50172.8-168.6165.7-148.500110.4R507 Q513 Q514R507-E511 PolarHBondContact O-N 2.48Å; E511-Q513 PolarHBondContact O-N 2.71Å; E511-Q514 PolarHBondContact O-N 2.86Å
512R56.1Low60.8Low192 Ų192125.8 Ų125.873%0.72564%0.644SS**THydrogen-bonded Turntrans-67.42.4174.6-145.2-166.882.1168.89.1115.8M508 L510M508-R512 PolarHBondContact O-N 3.41Å; L510-R512 PolarHBondContact O-N 3.04Å
513Q55.1Low58.3Low106 Ų106127.5 Ų127.550%0.49566%0.658SS.*THydrogen-bonded Turntrans-108.1-7.7171.9-80.6167.9103.400112.6R509 L510 E511R509-Q513 PolarHBondContact O-NE2 3.09Å; L510-Q513 PolarHBondContact O-N 3.49Å; E511-Q513 PolarHBondContact O-N 2.71Å
514Q52.1Low55.4Low152 Ų152131.4 Ų131.471%0.7169%0.687SS**THydrogen-bonded Turntrans-87.8-30.7173.4-65.5-167.7-61.700112.4L510 E511 E516L510-Q514 PolarHBondContact O-N 3.19Å; E511-Q514 PolarHBondContact O-N 2.86Å; Q514-E516 VanDerWaalsContact C-N 3.29Å; Q514-E516 PolarHBondContact O-N 3.32Å
515D49.5Very low52.8Low148 Ų148138.2 Ų138.279%0.79171%0.708SS**THydrogen-bonded Turntrans-69.7-20.9174.6-79.3-29.5000113.9
516E47.5Very low50.5Low166 Ų166140.5 Ų140.578%0.77672%0.717SS**THydrogen-bonded Turntrans-91.83.5-176.3-158.1161.677.400113.1Q514Q514-E516 VanDerWaalsContact C-N 3.29Å; Q514-E516 PolarHBondContact O-N 3.32Å
517S45.4Very low47.7Very low94 Ų94141.6 Ų141.666%0.65773%0.725SS**  trans-12753-176720000114.4
518A32.7Very low45.3Very low86 Ų86139 Ų13971%0.71173%0.733SS**SBendtrans-130.1130.9165.200000110
519P44.2Very low43.1Very low133 Ų133138.7 Ų138.786%0.86474%0.738SS**  trans-84.7134.4-164.831.8-35.2000113.9
520A37.3Very low40.9Very low108 Ų108138.5 Ų138.589%0.89375%0.745SS**  trans-94.3118.4162.100000109.7
521D37.9Very low39.1Very low144 Ų144136.6 Ų136.677%0.7775%0.746SS**  trans-116.6117.6-179.4-176.85.4000111.2
522K42.5Very low37.6Very low186 Ų186137.2 Ų137.281%0.80976%0.758SS**  trans-174.4114.2139.7-101.4151-169.6172.10114.6
523Q34.8Very low36.3Very low173 Ų173137.7 Ų137.781%0.80876%0.761SS**  67.9100.5126.6-169.6176.70.100120.4
524C24.6Very low35Very low128 Ų128137.5 Ų137.587%0.86577%0.771SS**  -163.4160.6113-140.30000114.1
525K28.6Very low34Very low191 Ų191136.3 Ų136.383%0.8378%0.775SS**  trans-110.4166.3164.5-116.8-168.6174.5-173.10107.6
526P37.1Very low33Very low109 Ų109134.8 Ų134.871%0.70878%0.775SS**  cis-136156.834.646-28.4000113.8
527E24.8Very low32Very low177 Ų177130.9 Ų130.983%0.82777%0.772SS**  106.3146.784.9177171.8143.800115.2
528A28.4Very low31.3Very low82 Ų82132.9 Ų132.968%0.67878%0.78SS**  trans65.9145.9168.900000118.5
529T27Very low31.8Very low117 Ų117135.1 Ų135.172%0.71879%0.787SS**  cis-160.4142.5-8.110.40000111.7
530Q31.5Very low30.9Very low183 Ų183131.5 Ų131.586%0.85577%0.774SS**  trans59.1150.4146.5-67.5179.210.700121.2
531A28.1Very low30.7Very low75 Ų75131.3 Ų131.362%0.6277%0.766SS**  cis-170.9173.4-16.700000111.8
532T24.7Very low30.1Very low131 Ų131132.1 Ų132.180%0.80477%0.765SS**  trans75.8131.2161.1-2.70000116.1
533Y28.9Very low29.3Very low203 Ų203129.4 Ų129.480%0.79676%0.759SS**  cis-151.6144.83.642.7-93.1000115.8
534S28.5Very low29.2Very low101 Ų101126.8 Ų126.871%0.70676%0.755SS**  trans51.7111139.8-540000124.6
535T29.7Very low29.5Very low128 Ų128128.7 Ų128.779%0.78576%0.756SS**  51.4137.5128.260.80000120.7
536S28.9Very low29.5Very low115 Ų115129.8 Ų129.880%0.80476%0.756SS**  cis-173.6176.415.7-114.30000109.3
537A27.1Very low29.2Very low85 Ų85132.9 Ų132.970%0.70277%0.765SS**  cis-159.5-176.6-3.300000109.7
538V30Very low29.4Very low136 Ų136132 Ų13282%0.82477%0.766SS**  trans-144.4166.7174.5-134.60000108.9
539P42.3Very low29.4Very low132 Ų132131.1 Ų131.186%0.85776%0.764SS**  -137.4177.964.437.3-19000113.7
540G26.9Very low29.4Very low58 Ų58133.8 Ų133.860%0.59877%0.774SS**  cis-165.3146.2-4.900000107.9
541S31.4Very low29.2Very low103 Ų103127.7 Ų127.772%0.7276%0.761SS**  82.9107.569.9-69.90000115
542Q26Very low29.1Very low162 Ų162130.5 Ų130.576%0.75777%0.771SS**  trans74.1159.2132.7-73.7168.9-76.500119.5
543D26.5Very low29.3Very low128 Ų128133.5 Ų133.568%0.68477%0.768SS**  cis-146.9176.72.8-133.8-38000114.9
544V33.3Very low29.2Very low119 Ų119129.1 Ų129.172%0.72177%0.768SS**  trans-88.5135.9172.8175.60000111.5
545L30.1Very low29.1Very low168 Ų168131.4 Ų131.488%0.8876%0.762SS**  trans-145.2155.9161.2-84.1-173.5000114.5
546Y28.5Very low29.2Very low214 Ų214134.2 Ų134.284%0.83977%0.766SS**  trans-76.9167.5178.4-73.5-118.3000112.8
547I31.5Very low29.2Very low174 Ų174132.1 Ų132.189%0.89275%0.751SS**  -162.4157.9127.9-107.3159.2000112
548N28.5Very low29.5Very low159 Ų159138.6 Ų138.685%0.8576%0.759SS**  trans-127.3145.1-179.7-179.620.8000110.1
549G27.8Very low29.7Very low62 Ų62142.5 Ų142.564%0.63976%0.758SS**  trans96.1112.9158.300000119.1
550N26.2Very low28.9Very low173 Ų173139.1 Ų139.193%0.92575%0.748SS**  54.7129.6128.6-170.161.9000121.8
551G28Very low29.5Very low55 Ų55144.7 Ų144.757%0.56776%0.763SS**  trans15091.7152.600000119.1
552T27Very low29.4Very low135 Ų135143.8 Ų143.883%0.82877%0.77SS**  trans36.3115141.554.70000122.4
553Y27.9Very low29.7Very low193 Ų193140 Ų14076%0.75778%0.775SS**  49.4118.8121-164.7-90.3000120.7
554S26.7Very low29.9Very low112 Ų112137.3 Ų137.378%0.78378%0.777SS**  trans-146.9156.3138-163.90000111
555Y26.3Very low29.9Very low149 Ų149139.1 Ų139.158%0.58478%0.782SS**  trans-136.2125.1-163.7-178.5-79000110.7S557Y555-S557 WeakPolarHBondContact CE1-OG 3.24Å; Y555-S557 PolarHBondContact OH-OG 2.68Å
556H31.5Very low30Very low187 Ų187138 Ų13887%0.86678%0.776SS**  trans-138135.9166.7-84.8-68.6000110.9
557S29.3Very low30.1Very low70 Ų70135.4 Ų135.449%0.4978%0.776SS.*  trans-137.1137.9-179.2-71.60000110.6Y555Y555-S557 WeakPolarHBondContact CE1-OG 3.24Å; Y555-S557 PolarHBondContact OH-OG 2.68Å
558Y34.8Very low30.2Very low221 Ų221133.4 Ų133.487%0.86777%0.767SS**  trans-177.5144.6156.5-96.9-59.1000105.8
559R33Very low30.2Very low218 Ų218132.6 Ų132.682%0.82376%0.763SS**  cis-162.6147.55.1-166.9176-150.5-110.57.5106.5
560G26.7Very low30.2Very low62 Ų62136.6 Ų136.664%0.63977%0.769SS**  cis164-177.6-3.800000110.4
561L39.6Very low30.4Very low174 Ų174132.5 Ų132.591%0.91176%0.76SS**  trans67.1124.9172.7-50.4170.2000115.9
562G28.7Very low30.7Very low84 Ų84135.9 Ų135.987%0.86678%0.775SS**  cis169.4166.5-5.200000109.8
563G32.3Very low30.9Very low84 Ų84134.8 Ų134.887%0.86677%0.772SS**  cis159.1125.7-8.600000113
564G30.8Very low31.3Very low70 Ų70131.3 Ų131.372%0.72278%0.776SS**  trans104.8151.3167.100000116.9
565L33.3Very low31.6Very low158 Ų158128.8 Ų128.883%0.82777%0.768SS**  cis-149132.7-11.6-89.4178.5000112
566L32.7Very low32.6Very low145 Ų145128.2 Ų128.276%0.75978%0.783SS**  trans17137.8142.2-46.8176.9000121.4
567N28.9Very low32.9Very low158 Ų158125.5 Ų125.585%0.84578%0.78SS**  -153.9164.5106.4-147.3-6.9000112.1
568L34.2Very low33.5Very low133 Ų133128.1 Ų128.170%0.69679%0.788SS**  trans-112.5153.9176.9-86.567.2000110.9
569N28.5Very low33.7Very low141 Ų141124.9 Ų124.975%0.75479%0.785SS**  -175.1151.7116.6-105.536.8000114.2
570D29Very low34Very low146 Ų146119.2 Ų119.278%0.78178%0.779SS**  trans50.6140.9153.2-71.3-67.1000124.8
571A30.4Very low34.6Very low88 Ų88124.9 Ų124.973%0.72779%0.791SS**  trans-68.6152.5-17900000115.1
572S32.9Very low34.3Very low126 Ų126125.5 Ų125.588%0.88179%0.786SS**  -169.5162.6128.4-900000114.3
573S31Very low34.7Very low111 Ų111133 Ų13378%0.77679%0.788SS**  trans-57.3169.5177.6-1750000115.8
574S36.5Very low34.7Very low120 Ų120137.5 Ų137.584%0.83979%0.787SS**  trans89.3150.4168.377.60000118.2
575G33.7Very low34.8Very low59 Ų59142.1 Ų142.161%0.60879%0.794SS**  trans-100.1178.7-161.900000115.9
576P47Very low34.8Very low138 Ų138139.3 Ų139.390%0.89679%0.794SS**  trans-76143.5-168.330.2-35.7000114.5
577T38.2Very low34.9Very low130 Ų130138 Ų13880%0.79879%0.792SS**  trans-92.4164.4-171.7-46.90000113.5
578D42.2Very low35.1Very low124 Ų124135.7 Ų135.766%0.66379%0.788SS**  trans-38.3147.8165.8173.248.2000115.6S580D578-S580 PolarHBondContact OD1-N 3.12Å; D578-S580 PolarHBondContact OD2-N 3.49Å
579L38.8Very low35.2Very low153 Ų153135.3 Ų135.380%0.80180%0.796SS**  trans-134.372.2166.4-77.3-179.1000111.9M581L579-M581 PolarHBondContact O-N 3.25Å; L579-M581 VanDerWaalsContact O-N 3.16Å
580S38.7Very low35.3Very low100 Ų100132.3 Ų132.370%0.69980%0.799SS**  trans-49.6113.1160.8179.50000112.3D578 K582D578-S580 PolarHBondContact OD1-N 3.12Å; D578-S580 PolarHBondContact OD2-N 3.49Å; S580-K582 PolarHBondContact O-N 3.34Å
581M39.6Very low35.7Very low180 Ų180130.9 Ų130.989%0.88780%0.8SS**  trans-85105.6177-76.8-156.1168.500112.8L579 R583L579-M581 PolarHBondContact O-N 3.25Å; L579-M581 VanDerWaalsContact O-N 3.16Å; M581-R583 PolarHBondContact O-N 2.92Å
582K33.8Very low36.1Very low188 Ų188132 Ų13282%0.81780%0.803SS**  trans-50.9115.9179.9-172.6175.9-176.1176.20114S580 Q584S580-K582 PolarHBondContact O-N 3.34Å; K582-Q584 PolarHBondContact O-N 3.08Å
583R36.4Very low36.1Very low241 Ų241131.5 Ų131.591%0.90980%0.799SS**  trans-75.6113.4171.1-172-175.9-60.8-142.51.9110.3M581M581-R583 PolarHBondContact O-N 2.92Å
584Q31.9Very low36.3Very low179 Ų179132.4 Ų132.484%0.83681%0.805SS**  trans-86.3152169.9-72.8-175.7-92.500111.8K582K582-Q584 PolarHBondContact O-N 3.08Å
585L32.3Very low36.5Very low167 Ų167131.6 Ų131.687%0.87480%0.8SS**  trans-127135.5178.1-169.876.2000108.9
586A34.3Very low36.9Very low99 Ų99137 Ų13782%0.81882%0.815SS**  trans-145.8152.5168.800000108.4
587T33.6Very low36.8Very low117 Ų117135.7 Ų135.772%0.71881%0.809SS**  trans-122.9146.6-162.849.10000113.5
588S34.3Very low37.7Very low110 Ų110140.4 Ų140.477%0.76981%0.812SS**  trans56.9124158.859.10000116.9
589S36.1Very low38.5Very low124 Ų124140.7 Ų140.787%0.86782%0.821SS**  cis-164.6166.840.2-56.30000111.6
590G30.7Very low40.1Very low78 Ų78142.3 Ų142.380%0.80482%0.824SS**  trans129.8148.4167.700000114.2
591S36.6Very low42.2Very low117 Ų117141.8 Ų141.882%0.81881%0.813SS**  trans-110.5149.2-166.7-62.20000114.9
592S39.6Very low44.7Very low112 Ų112135.3 Ų135.378%0.78379%0.786SS**  trans54.697.8148580000120.2
593S32.7Very low47.2Very low115 Ų115131 Ų13180%0.80478%0.777SS**  -173.3131.8116.640.50000110.9
594S35.6Very low49.9Very low129 Ų129124.8 Ų124.890%0.90277%0.766SS**  trans-11076.4-169.3-57.60000112.9
595S40.7Very low52.8Low104 Ų104120.7 Ų120.773%0.72775%0.747SS**  trans-89.5132.4168.154.30000110.9S597S595-S597 PolarHBondContact O-N 3.46Å
596N42.7Very low55.8Low171 Ų171115.9 Ų115.991%0.91472%0.721SS**  trans-78.486.1179.7-83.2-51.6000111.3R598N596-R598 PolarHBondContact O-N 2.73Å; N596-R598 VanDerWaalsContact O-N 3.16Å
597S44.3Very low58.5Low112 Ų112114.9 Ų114.978%0.78370%0.702SS**  trans-71.1101.5169.645.30000111.1S595S595-S597 PolarHBondContact O-N 3.46Å
598R57.3Low61.5Low229 Ų229111.8 Ų111.886%0.86469%0.689SS**  trans-68139.5160.8-87.3-177.6162.9-171.3-6.4109.1N596 Q600N596-R598 PolarHBondContact O-N 2.73Å; N596-R598 VanDerWaalsContact O-N 3.16Å; R598-Q600 PolarHBondContact O-N 3.23Å
599P59.2Low64.4Low129 Ų129110.1 Ų110.184%0.83867%0.674SS**  trans-62.8122.7166.427.2-32.8000108.9
600Q71.1Confident67.3Low187 Ų187112 Ų11287%0.87466%0.662SS**  trans-107.3112178.2-179.4171.6-12.900108.3R598R598-Q600 PolarHBondContact O-N 3.23Å
601L84.4Confident70.4Confident89 Ų89115.2 Ų115.247%0.46666%0.656SS.*  trans-60.4141.4176-64.3175.9000110.3E605 I606L601-E605 HydrophobicContact CB-CB 4.17Å; L601-E605 HydrophobicContact CD2-CB 4.39Å; L601-I606 HydrophobicContact CB-CD1 4.39Å; L601-I606 HydrophobicContact CB-CG1 3.9Å; L601-I606 WeakPolarHBondContact O-CD1 3.34Å
602S90Very high73.3Confident44 Ų44114.4 Ų114.431%0.30864%0.642SS.*  trans-65.1158.6174.866.80000111.7T604 E605 I606S602-T604 PolarHBondContact O-N 3.27Å; S602-E605 WeakPolarHBondContact CB-OE2 3.32Å; S602-E605 PolarHBondContact N-OE2 3.24Å; S602-E605 PolarHBondContact O-N 3.38Å; S602-E605 WeakPolarHBondContact OG-CG 3.33Å; S602-E605 PolarHBondContact OG-N 3.24Å; S602-E605 PolarHBondContact OG-OE2 3.46Å; S602-I606 WeakPolarHBondContact O-CG1 3.08Å; S602-I606 PolarHBondContact O-N 3.41Å
603P87.3Confident76Confident99 Ų99112.4 Ų112.464%0.64363%0.625SS**Hα-helixtrans-54.8-33.5174.1-26.635.8000113.3N607P603-N607 WeakPolarHBondContact O-CB 3.48Å; P603-N607 PolarHBondContact O-N 2.99Å; P603-N607 PolarHBondContact O-ND2 3.24Å
604T92.9Very high79Confident110 Ų110108.9 Ų108.968%0.67560%0.602SS**Hα-helixtrans-66.8-49177-47.90000111.6S602 I606 N607 A608S602-T604 PolarHBondContact O-N 3.27Å; T604-I606 VanDerWaalsContact C-N 3.34Å; T604-I606 PolarHBondContact O-N 3.01Å; T604-N607 PolarHBondContact O-N 2.82Å; T604-A608 PolarHBondContact O-N 3.49Å
605E93.6Very high81.9Confident93 Ų93104.1 Ų104.144%0.43557%0.574SS.*Hα-helixtrans-63.1-40.1175.9-70.3162108.100111.7L601 S602 N607 A608 V609L601-E605 HydrophobicContact CB-CB 4.17Å; L601-E605 HydrophobicContact CD2-CB 4.39Å; S602-E605 WeakPolarHBondContact CB-OE2 3.32Å; S602-E605 PolarHBondContact N-OE2 3.24Å; S602-E605 PolarHBondContact O-N 3.38Å; S602-E605 WeakPolarHBondContact OG-CG 3.33Å; S602-E605 PolarHBondContact OG-N 3.24Å; S602-E605 PolarHBondContact OG-OE2 3.46Å; E605-N607 VanDerWaalsContact C-N 3.28Å; E605-N607 PolarHBondContact O-N 2.99Å; E605-A608 PolarHBondContact O-N 3.21Å; E605-V609 WeakPolarHBondContact O-CB 3.37Å; E605-V609 VanDerWaalsContact O-CG2 3.3Å; E605-V609 WeakPolarHBondContact O-CG2 3.25Å; E605-V609 PolarHBondContact O-N 3.12Å
606I93.7Very high84.7Confident66 Ų66106.7 Ų106.734%0.33857%0.569SS.*Hα-helixtrans-60-40175.3-69.6167.1000110.9L601 S602 T604 R610L601-I606 HydrophobicContact CB-CD1 4.39Å; L601-I606 HydrophobicContact CB-CG1 3.9Å; L601-I606 WeakPolarHBondContact O-CD1 3.34Å; S602-I606 WeakPolarHBondContact O-CG1 3.08Å; S602-I606 PolarHBondContact O-N 3.41Å; T604-I606 VanDerWaalsContact C-N 3.34Å; T604-I606 PolarHBondContact O-N 3.01Å; I606-R610 WeakPolarHBondContact O-CD 3.36Å; I606-R610 WeakPolarHBondContact O-CG 3.39Å; I606-R610 PolarHBondContact O-N 3.45Å
607N92.8Very high87.2Confident77 Ų77107.1 Ų107.141%0.41256%0.558SS.*Hα-helixtrans-73.7-38.1177.1-74.8-18.7000112.8P603 T604 E605 R610 Q611P603-N607 WeakPolarHBondContact O-CB 3.48Å; P603-N607 PolarHBondContact O-N 2.99Å; P603-N607 PolarHBondContact O-ND2 3.24Å; T604-N607 PolarHBondContact O-N 2.82Å; E605-N607 VanDerWaalsContact C-N 3.28Å; E605-N607 PolarHBondContact O-N 2.99Å; N607-R610 WeakPolarHBondContact O-CB 3.36Å; N607-R610 PolarHBondContact O-N 3.39Å; N607-R610 PolarHBondContact OD1-NH1 2.89Å; N607-Q611 WeakPolarHBondContact O-CG 3.22Å; N607-Q611 PolarHBondContact O-N 2.96Å
608A95.6Very high89.7Confident53 Ų53108.3 Ų108.344%0.43855%0.551SS.*Hα-helixtrans-61.5-44.1172.400000111.7T604 E605 R610 Q611 L612T604-A608 PolarHBondContact O-N 3.49Å; E605-A608 PolarHBondContact O-N 3.21Å; A608-R610 VanDerWaalsContact C-N 3.33Å; A608-R610 PolarHBondContact O-N 3.38Å; A608-Q611 PolarHBondContact O-N 3.45Å; A608-L612 WeakPolarHBondContact O-CB 3.36Å; A608-L612 PolarHBondContact O-N 3.07Å
609V95.7Very high91.6Very high75 Ų75100.6 Ų100.646%0.45553%0.532SS..Hα-helixtrans-63.3-37.4174.6170.40000111.6E605 L612 V613E605-V609 WeakPolarHBondContact O-CB 3.37Å; E605-V609 VanDerWaalsContact O-CG2 3.3Å; E605-V609 WeakPolarHBondContact O-CG2 3.25Å; E605-V609 PolarHBondContact O-N 3.12Å; V609-L612 PolarHBondContact O-N 3.38Å; V609-V613 HydrophobicContact CG1-CG2 4.47Å; V609-V613 WeakPolarHBondContact O-CB 3.47Å; V609-V613 VanDerWaalsContact O-CG2 3.27Å; V609-V613 WeakPolarHBondContact O-CG2 3.46Å; V609-V613 PolarHBondContact O-N 3.15Å
610R95.9Very high93.3Very high162 Ų16297.2 Ų97.261%0.61152%0.515SS*.Hα-helixtrans-63.4-44.4173.7-76.1162.8173.7175.5-5.6112.3I606 N607 A608 V613 A614I606-R610 WeakPolarHBondContact O-CD 3.36Å; I606-R610 WeakPolarHBondContact O-CG 3.39Å; I606-R610 PolarHBondContact O-N 3.45Å; N607-R610 WeakPolarHBondContact O-CB 3.36Å; N607-R610 PolarHBondContact O-N 3.39Å; N607-R610 PolarHBondContact OD1-NH1 2.89Å; A608-R610 VanDerWaalsContact C-N 3.33Å; A608-R610 PolarHBondContact O-N 3.38Å; R610-V613 PolarHBondContact O-N 2.81Å; R610-A614 PolarHBondContact O-N 3.5Å
611Q96.8Very high94.5Very high147 Ų14790.3 Ų90.369%0.68749%0.489SS*.Hα-helixtrans-63.4-43.9176.4-73.2175.7-14.900111.5N607 A608 V613 A614 G615N607-Q611 WeakPolarHBondContact O-CG 3.22Å; N607-Q611 PolarHBondContact O-N 2.96Å; A608-Q611 PolarHBondContact O-N 3.45Å; Q611-V613 VanDerWaalsContact C-N 3.35Å; Q611-V613 PolarHBondContact O-N 3.23Å; Q611-A614 WeakPolarHBondContact O-CB 3.3Å; Q611-A614 PolarHBondContact O-N 2.99Å; Q611-A614 VanDerWaalsContact O-N 3.13Å; Q611-G615 PolarHBondContact O-N 3.19Å
612L97Very high95.1Very high99 Ų9991.8 Ų91.852%0.51849%0.492SS..Hα-helixtrans-60.7-42175.2-176.463000112.2A608 V609 A614 G615 Y616A608-L612 WeakPolarHBondContact O-CB 3.36Å; A608-L612 PolarHBondContact O-N 3.07Å; V609-L612 PolarHBondContact O-N 3.38Å; L612-A614 VanDerWaalsContact C-N 3.33Å; L612-A614 PolarHBondContact O-N 3.03Å; L612-G615 PolarHBondContact O-N 2.82Å; L612-Y616 HydrophobicContact CD1-CD2 4.09Å; L612-Y616 HydrophobicContact CD1-CE2 3.56Å; L612-Y616 HydrophobicContact CD2-CE2 4.16Å; L612-Y616 HydrophobicContact CG-CD2 3.96Å; L612-Y616 HydrophobicContact CG-CE2 3.61Å; L612-Y616 VanDerWaalsContact O-CD2 3.23Å; L612-Y616 WeakPolarHBondContact O-CD2 3.43Å; L612-Y616 PolarHBondContact O-N 3.08Å
613V96.9Very high95.5Very high70 Ų7095.4 Ų95.442%0.42451%0.508SS..Hα-helixtrans-67.5-30.4174.9167.80000112.5V609 R610 Q611 R617V609-V613 HydrophobicContact CG1-CG2 4.47Å; V609-V613 WeakPolarHBondContact O-CB 3.47Å; V609-V613 VanDerWaalsContact O-CG2 3.27Å; V609-V613 WeakPolarHBondContact O-CG2 3.46Å; V609-V613 PolarHBondContact O-N 3.15Å; R610-V613 PolarHBondContact O-N 2.81Å; Q611-V613 VanDerWaalsContact C-N 3.35Å; Q611-V613 PolarHBondContact O-N 3.23Å; V613-R617 VanDerWaalsContact O-CD 3.29Å; V613-R617 WeakPolarHBondContact O-CD 3.3Å; V613-R617 VanDerWaalsContact O-CG 3.22Å; V613-R617 WeakPolarHBondContact O-CG 3.22Å; V613-R617 PolarHBondContact O-N 2.86Å
614A95.6Very high95.9Very high41 Ų4195.9 Ų95.934%0.33950%0.504SS..Hα-helixtrans-68.9-50.5171.800000111R610 Q611 L612 Y616 R617 E618R610-A614 PolarHBondContact O-N 3.5Å; Q611-A614 WeakPolarHBondContact O-CB 3.3Å; Q611-A614 PolarHBondContact O-N 2.99Å; Q611-A614 VanDerWaalsContact O-N 3.13Å; L612-A614 VanDerWaalsContact C-N 3.33Å; L612-A614 PolarHBondContact O-N 3.03Å; A614-Y616 PolarHBondContact O-N 2.98Å; A614-R617 WeakPolarHBondContact O-CA 3.44Å; A614-R617 WeakPolarHBondContact O-CB 3.45Å; A614-R617 PolarHBondContact O-N 3.36Å; A614-E618 PolarHBondContact O-N 3.35Å
615G97.1Very high96.1Very high29 Ų2997.7 Ų97.730%0.29950%0.499SS..Hα-helixtrans-54.4-47.817700000112.8Q611 L612 R617 E618 S619Q611-G615 PolarHBondContact O-N 3.19Å; L612-G615 PolarHBondContact O-N 2.82Å; G615-R617 VanDerWaalsContact C-N 3.26Å; G615-R617 PolarHBondContact O-N 3.09Å; G615-E618 PolarHBondContact O-N 3.3Å; G615-E618 VanDerWaalsContact O-N 3.13Å; G615-S619 PolarHBondContact O-N 2.92Å; G615-S619 PolarHBondContact O-OG 3.06Å; G615-S619 VanDerWaalsContact O-OG 3.08Å
616Y98Very high96.2Very high159 Ų15994.8 Ų94.862%0.62449%0.489SS*.Hα-helixtrans-61.6-29.8176-77.2-53.5000114L612 A614 A620L612-Y616 HydrophobicContact CD1-CD2 4.09Å; L612-Y616 HydrophobicContact CD1-CE2 3.56Å; L612-Y616 HydrophobicContact CD2-CE2 4.16Å; L612-Y616 HydrophobicContact CG-CD2 3.96Å; L612-Y616 HydrophobicContact CG-CE2 3.61Å; L612-Y616 VanDerWaalsContact O-CD2 3.23Å; L612-Y616 WeakPolarHBondContact O-CD2 3.43Å; L612-Y616 PolarHBondContact O-N 3.08Å; A614-Y616 PolarHBondContact O-N 2.98Å; Y616-A620 VanDerWaalsContact O-CB 3.3Å; Y616-A620 WeakPolarHBondContact O-CB 3.45Å; Y616-A620 PolarHBondContact O-N 3.33Å; Y616-A620 VanDerWaalsContact O-N 3.08Å
617R97.1Very high96.3Very high180 Ų18094.1 Ų94.168%0.67949%0.493SS*.Hα-helixtrans-72.7-38.9174.6-72.3164.5174.6-81.1-4.8111.7V613 A614 G615 A620 A621V613-R617 VanDerWaalsContact O-CD 3.29Å; V613-R617 WeakPolarHBondContact O-CD 3.3Å; V613-R617 VanDerWaalsContact O-CG 3.22Å; V613-R617 WeakPolarHBondContact O-CG 3.22Å; V613-R617 PolarHBondContact O-N 2.86Å; A614-R617 WeakPolarHBondContact O-CA 3.44Å; A614-R617 WeakPolarHBondContact O-CB 3.45Å; A614-R617 PolarHBondContact O-N 3.36Å; G615-R617 VanDerWaalsContact C-N 3.26Å; G615-R617 PolarHBondContact O-N 3.09Å; R617-A620 PolarHBondContact O-N 3.46Å; R617-A621 WeakPolarHBondContact O-CB 3.49Å; R617-A621 PolarHBondContact O-N 3.42Å
618E95.4Very high96.4Very high137 Ų13793.8 Ų93.864%0.6449%0.491SS*.Hα-helixtrans-69.2-42.9177.2-70.6170.3-167.700111.3A614 G615 A620 A621 F622A614-E618 PolarHBondContact O-N 3.35Å; G615-E618 PolarHBondContact O-N 3.3Å; G615-E618 VanDerWaalsContact O-N 3.13Å; E618-A620 PolarHBondContact O-N 2.88Å; E618-A621 PolarHBondContact O-N 3.41Å; E618-F622 PolarHBondContact O-N 3.02Å
619S96.8Very high96.4Very high67 Ų6797.2 Ų97.247%0.46950%0.498SS..Hα-helixtrans-60.3-42.7172-530000112.3G615 F622 L623G615-S619 PolarHBondContact O-N 2.92Å; G615-S619 PolarHBondContact O-OG 3.06Å; G615-S619 VanDerWaalsContact O-OG 3.08Å; S619-F622 PolarHBondContact O-N 2.86Å; S619-L623 WeakPolarHBondContact O-CG 3.44Å; S619-L623 PolarHBondContact O-N 2.98Å
620A96.4Very high96.4Very high58 Ų5898.8 Ų98.848%0.47950%0.503SS..Hα-helixtrans-65.8-37.417600000112.5Y616 R617 E618 L624Y616-A620 VanDerWaalsContact O-CB 3.3Å; Y616-A620 WeakPolarHBondContact O-CB 3.45Å; Y616-A620 PolarHBondContact O-N 3.33Å; Y616-A620 VanDerWaalsContact O-N 3.08Å; R617-A620 PolarHBondContact O-N 3.46Å; E618-A620 PolarHBondContact O-N 2.88Å; A620-L624 WeakPolarHBondContact O-CB 3.37Å; A620-L624 PolarHBondContact O-N 3.48Å
621A95.3Very high96.2Very high41 Ų4196.9 Ų96.934%0.33950%0.501SS..Hα-helixtrans-71.2-30.4175.700000113R617 E618 R625R617-A621 WeakPolarHBondContact O-CB 3.49Å; R617-A621 PolarHBondContact O-N 3.42Å; E618-A621 PolarHBondContact O-N 3.41Å; A621-R625 WeakPolarHBondContact O-CG 3.44Å; A621-R625 PolarHBondContact O-N 2.86Å
622F97.3Very high95.9Very high120 Ų12094.2 Ų94.253%0.52649%0.492SS..Hα-helixtrans-66.7-52.7170177-92.1000111E618 S619 L624 R625 S626E618-F622 PolarHBondContact O-N 3.02Å; S619-F622 PolarHBondContact O-N 2.86Å; F622-L624 VanDerWaalsContact C-N 3.25Å; F622-L624 PolarHBondContact O-N 2.89Å; F622-R625 PolarHBondContact O-N 3.04Å; F622-R625 VanDerWaalsContact O-N 3.13Å; F622-S626 PolarHBondContact O-N 3.01Å; F622-S626 PolarHBondContact O-OG 3.32Å
623L98Very high95.7Very high120 Ų12093.8 Ų93.863%0.62849%0.489SS*.Hα-helixtrans-57.7-36.7179.2-73171000112.9S619 A627S619-L623 WeakPolarHBondContact O-CG 3.44Å; S619-L623 PolarHBondContact O-N 2.98Å; L623-A627 PolarHBondContact O-N 3.29Å
624L96.1Very high95.4Very high109 Ų10995.5 Ų95.557%0.57150%0.495SS*.Hα-helixtrans-63.9-50.8175.1-173.661.2000111.5A620 F622 S626 A627 D628A620-L624 WeakPolarHBondContact O-CB 3.37Å; A620-L624 PolarHBondContact O-N 3.48Å; F622-L624 VanDerWaalsContact C-N 3.25Å; F622-L624 PolarHBondContact O-N 2.89Å; L624-S626 VanDerWaalsContact C-N 3.3Å; L624-S626 PolarHBondContact O-N 3.33Å; L624-A627 WeakPolarHBondContact O-CA 3.19Å; L624-A627 WeakPolarHBondContact O-CB 3.48Å; L624-A627 PolarHBondContact O-N 3.08Å; L624-D628 PolarHBondContact O-N 2.94Å
625R96.6Very high94.8Very high149 Ų14999 Ų9956%0.56251%0.508SS*.Hα-helixtrans-60.2-38.1178-70.6-172.2-57.4-98.80.5112.9A621 F622 A627 D628 E629A621-R625 WeakPolarHBondContact O-CG 3.44Å; A621-R625 PolarHBondContact O-N 2.86Å; F622-R625 PolarHBondContact O-N 3.04Å; F622-R625 VanDerWaalsContact O-N 3.13Å; R625-A627 VanDerWaalsContact C-N 3.31Å; R625-D628 PolarHBondContact O-N 3.07Å; R625-E629 WeakPolarHBondContact O-CB 3.29Å; R625-E629 PolarHBondContact O-N 3.02Å
626S95.9Very high93.9Very high32 Ų32104.6 Ų104.622%0.22453%0.526CS..Hα-helixtrans-69.1-28.9175.1-61.60000112.8F622 L624 L630F622-S626 PolarHBondContact O-N 3.01Å; F622-S626 PolarHBondContact O-OG 3.32Å; L624-S626 VanDerWaalsContact C-N 3.3Å; L624-S626 PolarHBondContact O-N 3.33Å; S626-L630 WeakPolarHBondContact O-CB 3.25Å; S626-L630 WeakPolarHBondContact O-CD1 3.46Å; S626-L630 VanDerWaalsContact O-CG 3.22Å; S626-L630 WeakPolarHBondContact O-CG 3.35Å; S626-L630 PolarHBondContact O-N 2.89Å; S626-L630 VanDerWaalsContact O-N 3.13Å
627A96.5Very high92.8Very high51 Ų51105.1 Ų105.142%0.42153%0.534SS..Hα-helixtrans-71.3-44.5170.600000111.3L623 L624 R625 E629 L630 E631L623-A627 PolarHBondContact O-N 3.29Å; L624-A627 WeakPolarHBondContact O-CA 3.19Å; L624-A627 WeakPolarHBondContact O-CB 3.48Å; L624-A627 PolarHBondContact O-N 3.08Å; R625-A627 VanDerWaalsContact C-N 3.31Å; A627-E629 VanDerWaalsContact C-N 3.29Å; A627-E629 PolarHBondContact O-N 3.46Å; A627-L630 PolarHBondContact O-N 2.98Å; A627-E631 PolarHBondContact O-N 3.3Å
628D95.4Very high90.6Very high70 Ų70105.7 Ų105.737%0.37455%0.551SS.*Hα-helixtrans-58.4-41.7175.2-53.5-31.4000110.8L624 R625 E631 N632L624-D628 PolarHBondContact O-N 2.94Å; R625-D628 PolarHBondContact O-N 3.07Å; D628-E631 PolarHBondContact O-N 3.19Å; D628-N632 PolarHBondContact O-N 3.04Å; D628-N632 PolarHBondContact O-ND2 2.95Å
629E94.6Very high90.4Very high125 Ų125104.2 Ų104.258%0.58455%0.546SS*.Hα-helixtrans-64.8-42.7176.7-174.9173.7-163.500112.4R625 A627 N632 L633R625-E629 WeakPolarHBondContact O-CB 3.29Å; R625-E629 PolarHBondContact O-N 3.02Å; A627-E629 VanDerWaalsContact C-N 3.29Å; A627-E629 PolarHBondContact O-N 3.46Å; E629-N632 PolarHBondContact O-N 3.13Å; E629-L633 WeakPolarHBondContact O-CG 3.37Å; E629-L633 PolarHBondContact O-N 3.18Å
630L94.9Very high90Very high108 Ų108106.1 Ų106.157%0.56555%0.55SS**Hα-helixtrans-67.3-37.3175.2-73.3167.8000112.6S626 A627 L633 I634S626-L630 WeakPolarHBondContact O-CB 3.25Å; S626-L630 WeakPolarHBondContact O-CD1 3.46Å; S626-L630 VanDerWaalsContact O-CG 3.22Å; S626-L630 WeakPolarHBondContact O-CG 3.35Å; S626-L630 PolarHBondContact O-N 2.89Å; S626-L630 VanDerWaalsContact O-N 3.13Å; A627-L630 PolarHBondContact O-N 2.98Å; L630-L633 HydrophobicContact CD2-CD1 4.44Å; L630-L633 PolarHBondContact O-N 2.89Å; L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.15Å; L630-I634 VanDerWaalsContact O-N 3.09Å
631E92.2Very high89.7Confident123 Ų123108.8 Ų108.858%0.57555%0.554SS**Hα-helixtrans-64.6-42.4174.3-173.6167-147.900111A627 D628 L633 I634 L635A627-E631 PolarHBondContact O-N 3.3Å; D628-E631 PolarHBondContact O-N 3.19Å; E631-L633 VanDerWaalsContact C-N 3.33Å; E631-L633 PolarHBondContact O-N 3.04Å; E631-I634 PolarHBondContact O-N 3.01Å; E631-L635 HydrophobicContact CG-CD1 4.28Å; E631-L635 WeakPolarHBondContact O-CG 3.39Å; E631-L635 PolarHBondContact O-N 3.42Å
632N91.3Very high89.4Confident90 Ų90112.8 Ų112.848%0.48157%0.567SS.*Hα-helixtrans-62.3-36.6173.4-81.8-81.8000113D628 E629 L635 Q636D628-N632 PolarHBondContact O-N 3.04Å; D628-N632 PolarHBondContact O-ND2 2.95Å; E629-N632 PolarHBondContact O-N 3.13Å; N632-L635 PolarHBondContact O-N 2.79Å; N632-Q636 WeakPolarHBondContact O-CG 3.3Å; N632-Q636 PolarHBondContact O-N 2.75Å; N632-Q636 VanDerWaalsContact O-N 3.14Å
633L92.5Very high88.9Confident90 Ų90112.3 Ų112.347%0.47157%0.569SS.*Hα-helixtrans-66.9-35.6175-75.6166.4000112.6E629 L630 E631 Q636E629-L633 WeakPolarHBondContact O-CG 3.37Å; E629-L633 PolarHBondContact O-N 3.18Å; L630-L633 HydrophobicContact CD2-CD1 4.44Å; L630-L633 PolarHBondContact O-N 2.89Å; E631-L633 VanDerWaalsContact C-N 3.33Å; E631-L633 PolarHBondContact O-N 3.04Å; L633-Q636 PolarHBondContact O-N 3.46Å
634I90.7Very high88.3Confident107 Ų107111.8 Ų111.855%0.54957%0.566SS.*Hα-helixtrans-69.4-39.7174.3-67.4164.3000110.8L630 E631 Q636 Q637 N638L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.15Å; L630-I634 VanDerWaalsContact O-N 3.09Å; E631-I634 PolarHBondContact O-N 3.01Å; I634-Q636 PolarHBondContact O-N 3.15Å; I634-Q637 PolarHBondContact O-N 3.01Å; I634-Q637 VanDerWaalsContact O-N 3.16Å; I634-N638 PolarHBondContact O-ND2 3.37Å
635L82.8Confident87.7Confident114 Ų114112 Ų11260%0.59757%0.565SS**Hα-helixtrans-68.2-16.7176.3-70.1170.4000113.8E631 N632E631-L635 HydrophobicContact CG-CD1 4.28Å; E631-L635 WeakPolarHBondContact O-CG 3.39Å; E631-L635 PolarHBondContact O-N 3.42Å; N632-L635 PolarHBondContact O-N 2.79Å
636Q79.2Confident87Confident147 Ų147109.2 Ų109.269%0.68757%0.565SS**THydrogen-bonded Turntrans-90.9-2.2173.2-71.9174.433.200113.8N632 L633 I634N632-Q636 WeakPolarHBondContact O-CG 3.3Å; N632-Q636 PolarHBondContact O-N 2.75Å; N632-Q636 VanDerWaalsContact O-N 3.14Å; L633-Q636 PolarHBondContact O-N 3.46Å; I634-Q636 PolarHBondContact O-N 3.15Å
637Q73.1Confident86.3Confident169 Ų169115.6 Ų115.679%0.7959%0.594SS**  trans-106.76.4177.1-70.1-169.4-6.200113.9I634I634-Q637 PolarHBondContact O-N 3.01Å; I634-Q637 VanDerWaalsContact O-N 3.16Å
638N52.3Low85.4Confident193 Ų193121.5 Ų121.5100%1.03261%0.61SS**  trans-122.60174.7-64.2-92.5000110.5I634I634-N638 PolarHBondContact O-ND2 3.37Å

Retrieved 638 of 638 residues in 439.3 ms (Link to these results)

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