A0A096NSH0_PAPAN Loading...

KH domain containing 1 like

AlphaFold DB , UniProt , Accession A0A096NSH0, Species PAPAN (Papio anubis, Olive baboon), Gene KHDC1L, Length 128 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
1M32.4Very low53Low243 Ų243118.5 Ų118.5100%1.19767%0.667SS**  01090-73.5179.5175.400105.6M3M1-M3 PolarHBondContact O-N 3.11Å; M1-M3 VanDerWaalsContact O-N 3.15Å
2D32.5Very low55.7Low159 Ų159113.7 Ų113.785%0.8564%0.644SS**  trans-72.1104.5-175.5-170.827.6000108.4G4D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.28Å
3M43.7Very low58.3Low175 Ų175107.1 Ų107.186%0.86260%0.603SS**  trans-77.889.5177.5-156.3169.9-167.800105.4M1 T5M1-M3 PolarHBondContact O-N 3.11Å; M1-M3 VanDerWaalsContact O-N 3.15Å; M3-T5 PolarHBondContact O-N 3.46Å
4G45.1Very low60.6Low62 Ų62110.4 Ų110.464%0.63960%0.602SS**  trans-41.4113.5-179.400000109.7D2 G6D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.28Å; G4-G6 PolarHBondContact O-N 3.21Å
5T44.9Very low62.6Low132 Ų132108 Ų10881%0.8159%0.592SS**  trans-59.2110.7-170.3-30000107.6M3 A7M3-T5 PolarHBondContact O-N 3.46Å; T5-A7 PolarHBondContact O-N 2.85Å
6G53.2Low64.3Low35 Ų35104.1 Ų104.136%0.36157%0.569SS.*  trans-71.254.2-172.400000113.9G4G4-G6 PolarHBondContact O-N 3.21Å
7A53.9Low65.8Low61 Ų61102.6 Ų102.650%0.50457%0.566SS.*SBendtrans-105.7136.7168.100000108.8T5 S9 N113T5-A7 PolarHBondContact O-N 2.85Å; A7-S9 PolarHBondContact O-N 2.92Å; A7-S9 VanDerWaalsContact O-N 3.1Å; A7-N113 WeakPolarHBondContact CA-OD1 3.48Å
8L63.1Low67.1Low46 Ų46103.3 Ų103.324%0.24157%0.565CS.*  trans-54.6117.4167.3-69.1167.5000108.9H52 P74 N113 L116L8-H52 WeakPolarHBondContact CD1-ND1 3.16Å; L8-H52 HydrophobicContact CD2-CB 4.11Å; L8-H52 WeakPolarHBondContact CD2-ND1 3.44Å; L8-P74 HydrophobicContact CD2-CG 4.47Å; L8-N113 PolarHBondContact N-OD1 3.01Å; L8-L116 HydrophobicContact CD1-CD1 4.43Å; L8-L116 HydrophobicContact CG-CD1 4.25Å
9S65.6Low68.5Low53 Ų5398.6 Ų98.637%0.37154%0.539SS..  trans-59.9153.217952.60000111A7 E11A7-S9 PolarHBondContact O-N 2.92Å; A7-S9 VanDerWaalsContact O-N 3.1Å; S9-E11 PolarHBondContact O-N 3.33Å; S9-E11 PolarHBondContact OG-O 3.1Å
10K69Low69.6Low221 Ų22197.9 Ų97.996%0.96153%0.53SS*.SBendtrans-66.3-29.4170.4-75.5-175.6177.5178.90112.3
11E79.2Confident70.6Confident117 Ų11799 Ų9955%0.54753%0.532SS..SBendtrans-73.3142.8172.8-66.7-178.8158.400110S9 W13S9-E11 PolarHBondContact O-N 3.33Å; S9-E11 PolarHBondContact OG-O 3.1Å; E11-W13 PolarHBondContact O-N 2.63Å
12P86Confident73.4Confident60 Ų6091.4 Ų91.439%0.3951%0.508SS..  trans-56132.3176.9-19.329.9000110.5W14 T15P12-W14 HydrophobicContact CB-CD2 3.77Å; P12-W14 HydrophobicContact CB-CE3 4.1Å; P12-W14 HydrophobicContact CB-CG 4.46Å; P12-W14 HydrophobicContact CB-CH2 3.75Å; P12-W14 HydrophobicContact CB-CZ2 3.38Å; P12-W14 HydrophobicContact CB-CZ3 4.09Å; P12-W14 HydrophobicContact CG-CZ2 4.09Å; P12-W14 PolarHBondContact O-N 3.18Å; P12-T15 HydrophobicContact CB-CG2 4.29Å; P12-T15 HydrophobicContact CG-CG2 4.4Å; P12-T15 PolarHBondContact O-N 3.25Å; P12-T15 PolarHBondContact O-OG1 3Å
13W89.4Confident76.4Confident28 Ų2886.9 Ų86.911%0.10649%0.487CS..G310 helixtrans-56.1-29.1-170.870.4-96.5000113.4E11 T15 L16 N19 F20 H52 T53 L54 P74E11-W13 PolarHBondContact O-N 2.63Å; W13-T15 VanDerWaalsContact C-N 3.27Å; W13-T15 PolarHBondContact O-N 2.8Å; W13-L16 PolarHBondContact O-N 2.95Å; W13-N19 HydrophobicContact CE3-CB 4.31Å; W13-N19 PolarHBondContact O-ND2 2.67Å; W13-F20 HydrophobicContact CZ3-CE1 4.26Å; W13-F20 HydrophobicContact CZ3-CZ 4.02Å; W13-H52 HydrophobicContact CB-CB 4.45Å; W13-H52 VanDerWaalsContact CD1-CB 3.43Å; W13-H52 AromaticContact CD1-CG 3.99Å; W13-H52 VanDerWaalsContact CD2-O 3.28Å; W13-H52 HydrophobicContact CG-CB 3.96Å; W13-T53 VanDerWaalsContact CZ2-C 3.43Å; W13-L54 HydrophobicContact CH2-CB 3.67Å; W13-L54 HydrophobicContact CZ2-CB 4.24Å; W13-P74 HydrophobicContact CB-CG 3.94Å
14W90.1Very high78.9Confident154 Ų15479.9 Ų79.958%0.58345%0.452SS*.G310 helixtrans-76.3-5.4-179.358.681.1000114.7P12 F20P12-W14 HydrophobicContact CB-CD2 3.77Å; P12-W14 HydrophobicContact CB-CE3 4.1Å; P12-W14 HydrophobicContact CB-CG 4.46Å; P12-W14 HydrophobicContact CB-CH2 3.75Å; P12-W14 HydrophobicContact CB-CZ2 3.38Å; P12-W14 HydrophobicContact CB-CZ3 4.09Å; P12-W14 HydrophobicContact CG-CZ2 4.09Å; P12-W14 PolarHBondContact O-N 3.18Å; W14-F20 HydrophobicContact CB-CZ 4.12Å; W14-F20 WeakPolarHBondContact O-CE2 3.5Å
15T91.4Very high81.3Confident74 Ų7480.7 Ų80.745%0.45445%0.445SS..G310 helixtrans-87.6-13.3175.662.20000113P12 W13 P17P12-T15 HydrophobicContact CB-CG2 4.29Å; P12-T15 HydrophobicContact CG-CG2 4.4Å; P12-T15 PolarHBondContact O-N 3.25Å; P12-T15 PolarHBondContact O-OG1 3Å; W13-T15 VanDerWaalsContact C-N 3.27Å; W13-T15 PolarHBondContact O-N 2.8Å; T15-P17 WeakPolarHBondContact O-CD 3.42Å
16L89.8Confident83.8Confident45 Ų4576.6 Ų76.624%0.23642%0.416CS..  trans-94112.4-178.8-61.1178.6000109.9W13 E18 N19 F20W13-L16 PolarHBondContact O-N 2.95Å; L16-E18 PolarHBondContact O-N 2.86Å; L16-E18 VanDerWaalsContact O-N 3.14Å; L16-N19 WeakPolarHBondContact O-CB 3.43Å; L16-N19 PolarHBondContact O-N 2.84Å; L16-N19 VanDerWaalsContact O-N 3.14Å; L16-F20 WeakPolarHBondContact O-CD2 3.4Å
17P89.3Confident85.8Confident79 Ų7979.7 Ų79.751%0.51342%0.42SS..G310 helixtrans-56.2-30.1180-25.735.4000113.5T15 N19 F20T15-P17 WeakPolarHBondContact O-CD 3.42Å; P17-N19 PolarHBondContact O-N 2.47Å; P17-F20 PolarHBondContact O-N 3.22Å
18E89.9Confident87.8Confident116 Ų11676.9 Ų76.954%0.54240%0.397SS..G310 helixtrans-59.8-30.2-178.9-58.974.1-159.800112.3L16 F20 H21L16-E18 PolarHBondContact O-N 2.86Å; L16-E18 VanDerWaalsContact O-N 3.14Å; E18-F20 PolarHBondContact O-N 3.39Å; E18-H21 WeakPolarHBondContact O-CB 3.37Å; E18-H21 PolarHBondContact O-N 2.69Å
19N92.4Very high89.4Confident13 Ų1378.8 Ų78.87%0.0741%0.405CS..G310 helixtrans-70.4-18.1178.9-70.9-24000113W13 L16 P17 G73 P74W13-N19 HydrophobicContact CE3-CB 4.31Å; W13-N19 PolarHBondContact O-ND2 2.67Å; L16-N19 WeakPolarHBondContact O-CB 3.43Å; L16-N19 PolarHBondContact O-N 2.84Å; L16-N19 VanDerWaalsContact O-N 3.14Å; P17-N19 PolarHBondContact O-N 2.47Å; N19-G73 PolarHBondContact O-N 2.9Å; N19-P74 WeakPolarHBondContact OD1-CA 3.44Å
20F91.6Very high90.7Very high85 Ų8582.1 Ų82.137%0.37342%0.415SS..G310 helixtrans-95-10.6176-58.7-88.4000112.6W13 W14 L16 P17 E18 V72W13-F20 HydrophobicContact CZ3-CE1 4.26Å; W13-F20 HydrophobicContact CZ3-CZ 4.02Å; W14-F20 HydrophobicContact CB-CZ 4.12Å; W14-F20 WeakPolarHBondContact O-CE2 3.5Å; L16-F20 WeakPolarHBondContact O-CD2 3.4Å; P17-F20 PolarHBondContact O-N 3.22Å; E18-F20 PolarHBondContact O-N 3.39Å; F20-V72 HydrophobicContact CD1-CB 4.26Å; F20-V72 HydrophobicContact CD1-CG2 3.99Å; F20-V72 HydrophobicContact CE1-CG2 4.14Å
21H89.9Confident91.8Very high122 Ų12277.4 Ų77.457%0.56540%0.4SS*.SBendtrans-72.4143.3172.9-64.1-35.5000111.1E18 K78E18-H21 WeakPolarHBondContact O-CB 3.37Å; E18-H21 PolarHBondContact O-N 2.69Å; H21-K78 PolarHBondContact O-NZ 2.78Å; H21-K78 VanDerWaalsContact O-NZ 3.16Å
22A91.6Very high92.6Very high83 Ų8373.4 Ų73.469%0.68638%0.381SS*.SBendtrans48.369.2179.300000112.6K78A22-K78 PolarHBondContact O-NZ 2.84Å
23P95.6Very high93.1Very high63 Ų6371.5 Ų71.541%0.40937%0.367SS..  trans-56.1143.417324.6-33.6000110.2V25 T70 V71 V72P23-V25 HydrophobicContact CB-CG2 4.2Å; P23-V25 HydrophobicContact CG-CG2 4.3Å; P23-T70 HydrophobicContact CB-CG2 3.94Å; P23-V71 WeakPolarHBondContact CA-O 3.45Å; P23-V72 HydrophobicContact CB-CG1 3.79Å
24M95.6Very high93.4Very high29 Ų2975.1 Ų75.114%0.14339%0.385CS..EExtended strand (participates in β ladder)trans-81.9118169.4176.1176.57000108.4F26 T70 V71 K78 L82 F85M24-F26 HydrophobicContact CE-CE1 3.94Å; M24-F26 HydrophobicContact CG-CD1 4.1Å; M24-F26 HydrophobicContact CG-CE1 4.42Å; M24-F26 HydrophobicContact SD-CE1 4.49Å; M24-T70 CarbonylContact O-C 3.5Å; M24-T70 WeakPolarHBondContact O-CA 3.2Å; M24-V71 HydrophobicContact CB-CB 4.34Å; M24-V71 HydrophobicContact CE-CB 3.77Å; M24-V71 HydrophobicContact CE-CG1 4.34Å; M24-V71 HydrophobicContact CE-CG2 3.56Å; M24-V71 PolarHBondContact N-O 3.16Å; M24-V71 PolarHBondContact O-N 3.32Å; M24-K78 HydrophobicContact CB-CD 4.48Å; M24-L82 HydrophobicContact CE-CB 4.21Å; M24-L82 HydrophobicContact SD-CB 3.51Å; M24-L82 VanDerWaalsContact SD-CB 3.51Å; M24-L82 HydrophobicContact SD-CD1 3.7Å; M24-L82 HydrophobicContact SD-CD2 3.95Å; M24-L82 HydrophobicContact SD-CG 3.89Å; M24-F85 HydrophobicContact CE-CD2 4.27Å; M24-F85 HydrophobicContact CE-CE2 4.02Å
25V96.6Very high93.8Very high78 Ų7871.1 Ų71.147%0.47338%0.375SS..EExtended strand (participates in β ladder)trans-124.9128.3-178.1-1730000109.7P23 R68 V69 T70P23-V25 HydrophobicContact CB-CG2 4.2Å; P23-V25 HydrophobicContact CG-CG2 4.3Å; V25-R68 HydrophobicContact CG1-CG 3.89Å; V25-V69 WeakPolarHBondContact CA-O 3.1Å; V25-T70 HydrophobicContact CG2-CG2 4.08Å
26F95.6Very high94.1Very high47 Ų4767.6 Ų67.621%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-155168.4177.864.4-78.8000111.4M24 M28 V69 F85M24-F26 HydrophobicContact CE-CE1 3.94Å; M24-F26 HydrophobicContact CG-CD1 4.1Å; M24-F26 HydrophobicContact CG-CE1 4.42Å; M24-F26 HydrophobicContact SD-CE1 4.49Å; F26-M28 HydrophobicContact CE2-CB 4.23Å; F26-M28 HydrophobicContact CE2-CE 3.53Å; F26-M28 HydrophobicContact CZ-CE 3.73Å; F26-V69 HydrophobicContact CD1-CB 4.33Å; F26-V69 HydrophobicContact CE1-CB 3.78Å; F26-V69 HydrophobicContact CE1-CG1 3.75Å; F26-V69 HydrophobicContact CE2-CB 4.12Å; F26-V69 HydrophobicContact CE2-CG2 4.28Å; F26-V69 HydrophobicContact CZ-CB 3.65Å; F26-V69 HydrophobicContact CZ-CG1 3.68Å; F26-V69 HydrophobicContact CZ-CG2 4.15Å; F26-V69 PolarHBondContact N-O 2.96Å; F26-V69 VanDerWaalsContact N-O 3.09Å; F26-V69 PolarHBondContact O-N 2.96Å; F26-F85 AromaticContact CE1-CD2 3.77Å; F26-F85 HydrophobicContact CE1-CD2 3.77Å; F26-F85 AromaticContact CE1-CE2 3.97Å; F26-F85 HydrophobicContact CE1-CE2 3.97Å; F26-F85 HydrophobicContact CE2-CB 4.46Å; F26-F85 HydrophobicContact CE2-CD2 4.17Å; F26-F85 HydrophobicContact CZ-CB 4.29Å; F26-F85 AromaticContact CZ-CD2 3.23Å; F26-F85 HydrophobicContact CZ-CD2 3.23Å; F26-F85 AromaticContact CZ-CE2 3.66Å; F26-F85 HydrophobicContact CZ-CE2 3.66Å; F26-F85 AromaticContact CZ-CG 3.97Å; F26-F85 HydrophobicContact CZ-CG 3.97Å
27H96.1Very high94.5Very high99 Ų9965.4 Ų65.446%0.45834%0.342SS..EExtended strand (participates in β ladder)trans-99.1140.2174.3-54.4134.4000110.4F61 Q66 T67H27-F61 AromaticContact NE2-CD1 3.96Å; H27-Q66 HydrophobicContact CB-CB 4.25Å; H27-T67 CarbonylContact C-O 3.55Å; H27-T67 VanDerWaalsContact CA-O 3.32Å; H27-T67 WeakPolarHBondContact CA-O 3.5Å
28M96.1Very high94.8Very high2 Ų262 Ų621%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-126.3139.7179.8-173.7177.5-70.600109F26 Q32 E33 I36 F37 Q66 T67 V69 F85F26-M28 HydrophobicContact CE2-CB 4.23Å; F26-M28 HydrophobicContact CE2-CE 3.53Å; F26-M28 HydrophobicContact CZ-CE 3.73Å; M28-Q32 HydrophobicContact CG-CB 3.95Å; M28-Q32 HydrophobicContact CG-CG 3.84Å; M28-Q32 HydrophobicContact SD-CB 4.48Å; M28-Q32 HydrophobicContact SD-CG 4Å; M28-E33 HydrophobicContact CG-CB 4.38Å; M28-E33 VanDerWaalsContact SD-CA 3.56Å; M28-E33 HydrophobicContact SD-CB 3.97Å; M28-I36 HydrophobicContact CE-CD1 3.77Å; M28-I36 HydrophobicContact SD-CD1 3.89Å; M28-F37 HydrophobicContact CE-CE2 4.18Å; M28-F37 HydrophobicContact SD-CE2 3.96Å; M28-Q66 CarbonylContact O-C 3.48Å; M28-Q66 WeakPolarHBondContact O-CA 3.26Å; M28-Q66 WeakPolarHBondContact O-CB 3.32Å; M28-T67 PolarHBondContact N-O 3.31Å; M28-T67 PolarHBondContact O-N 3.48Å; M28-V69 HydrophobicContact CB-CG2 3.85Å; M28-V69 HydrophobicContact CE-CG2 4.1Å; M28-V69 HydrophobicContact SD-CG2 4.31Å; M28-F85 HydrophobicContact CE-CB 4.18Å; M28-F85 HydrophobicContact CE-CD1 4.01Å; M28-F85 HydrophobicContact CE-CD2 4.41Å; M28-F85 HydrophobicContact CE-CE1 4.44Å; M28-F85 HydrophobicContact CE-CG 3.96Å
29E95.9Very high95Very high87 Ų8762.8 Ų62.841%0.40733%0.328SS..  trans-68.1149.9172.4-58.8-56.2142.200110.8D31 Q32 E33 Q66E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 WeakPolarHBondContact CB-OD1 3.48Å; E29-D31 PolarHBondContact O-N 3.17Å; E29-Q32 HydrophobicContact CB-CB 4.42Å; E29-Q32 PolarHBondContact O-N 3.16Å; E29-E33 PolarHBondContact O-N 2.91Å; E29-Q66 PolarHBondContact OE1-NE2 3.14Å
30E92.6Very high95Very high123 Ų12365.6 Ų65.658%0.57536%0.36SS*.Hα-helixtrans-60.5-39.9-176.5-175.1179.3-174.500112.4Q32 E33 E34E30-Q32 PolarHBondContact O-N 3Å; E30-E33 PolarHBondContact O-N 3.01Å; E30-E34 PolarHBondContact O-N 3.33Å
31D93.9Very high95.1Very high121 Ų12164.7 Ų64.765%0.64736%0.359SS*.Hα-helixtrans-66.1-38.5178.366.7-29.4000112.1E29 L35E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 WeakPolarHBondContact CB-OD1 3.48Å; E29-D31 PolarHBondContact O-N 3.17Å; D31-L35 VanDerWaalsContact O-CB 3.31Å; D31-L35 WeakPolarHBondContact O-CB 3.1Å; D31-L35 PolarHBondContact O-N 2.92Å
32Q95.8Very high95.5Very high34 Ų3463.6 Ų63.616%0.15936%0.361CS..Hα-helixtrans-68.6-41.1174.2-178.3-179.1-17.500111.5M28 E29 E30 L35 I36 F85 V88M28-Q32 HydrophobicContact CG-CB 3.95Å; M28-Q32 HydrophobicContact CG-CG 3.84Å; M28-Q32 HydrophobicContact SD-CB 4.48Å; M28-Q32 HydrophobicContact SD-CG 4Å; E29-Q32 HydrophobicContact CB-CB 4.42Å; E29-Q32 PolarHBondContact O-N 3.16Å; E30-Q32 PolarHBondContact O-N 3Å; Q32-L35 PolarHBondContact O-N 3.29Å; Q32-I36 HydrophobicContact CG-CD1 3.6Å; Q32-I36 HydrophobicContact CG-CG1 4.46Å; Q32-I36 WeakPolarHBondContact O-CB 3.44Å; Q32-I36 WeakPolarHBondContact O-CD1 3.32Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.33Å; Q32-I36 PolarHBondContact O-N 2.84Å; Q32-F85 PolarHBondContact NE2-O 3.2Å; Q32-V88 HydrophobicContact CG-CG1 4.35Å
33E96.4Very high95.8Very high19 Ų1964.6 Ų64.69%0.08935%0.348CS..Hα-helixtrans-60.2-52.1175.6-178.3-169.7-179.900110.9M28 E29 E30 L35 I36 F37 T67M28-E33 HydrophobicContact CG-CB 4.38Å; M28-E33 VanDerWaalsContact SD-CA 3.56Å; M28-E33 HydrophobicContact SD-CB 3.97Å; E29-E33 PolarHBondContact O-N 2.91Å; E30-E33 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3.48Å; E33-I36 PolarHBondContact O-N 2.91Å; E33-F37 HydrophobicContact CG-CD2 3.77Å; E33-F37 HydrophobicContact CG-CE2 4.46Å; E33-F37 PolarHBondContact O-N 2.89Å; E33-T67 HydrophobicContact CG-CG2 4.48Å; E33-T67 WeakPolarHBondContact OE2-CB 3.27Å; E33-T67 WeakPolarHBondContact OE2-CG2 3.23Å; E33-T67 PolarHBondContact OE2-OG1 3Å
34E96Very high95.9Very high104 Ų10462.9 Ų62.949%0.48634%0.335SS..Hα-helixtrans-60-39.3178.7-171-179.3170.400110.9E30 I36 G38E30-E34 PolarHBondContact O-N 3.33Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 3.09Å; E34-G38 WeakPolarHBondContact O-CA 3.44Å; E34-G38 PolarHBondContact O-N 3.33Å
35L97.5Very high96Very high70 Ų7068.8 Ų68.837%0.36636%0.356SS..Hα-helixtrans-62.1-38.4175.4178.660.4000112.5D31 Q32 E33 V88 L100 R107D31-L35 VanDerWaalsContact O-CB 3.31Å; D31-L35 WeakPolarHBondContact O-CB 3.1Å; D31-L35 PolarHBondContact O-N 2.92Å; Q32-L35 PolarHBondContact O-N 3.29Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3.48Å; L35-V88 HydrophobicContact CD2-CG1 3.57Å; L35-V88 HydrophobicContact CG-CG1 4.2Å; L35-L100 HydrophobicContact CD2-CD2 4.25Å; L35-R107 PolarHBondContact O-NH1 3.41Å; L35-R107 PolarHBondContact O-NH2 2.76Å
36I98.1Very high96Very high0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-88.2-41.6-173.8-69.6167000112.8M28 Q32 E33 E34 I47 M84 F85 V88 L103 R107M28-I36 HydrophobicContact CE-CD1 3.77Å; M28-I36 HydrophobicContact SD-CD1 3.89Å; Q32-I36 HydrophobicContact CG-CD1 3.6Å; Q32-I36 HydrophobicContact CG-CG1 4.46Å; Q32-I36 WeakPolarHBondContact O-CB 3.44Å; Q32-I36 WeakPolarHBondContact O-CD1 3.32Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.33Å; Q32-I36 PolarHBondContact O-N 2.84Å; E33-I36 PolarHBondContact O-N 2.91Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 3.09Å; I36-I47 HydrophobicContact CG2-CD1 4.32Å; I36-I47 WeakPolarHBondContact O-CD1 3.36Å; I36-M84 HydrophobicContact CG2-CE 4.21Å; I36-F85 HydrophobicContact CD1-CD1 3.84Å; I36-F85 HydrophobicContact CD1-CE1 4.5Å; I36-F85 HydrophobicContact CG2-CD1 4.14Å; I36-F85 HydrophobicContact CG2-CE1 3.78Å; I36-V88 HydrophobicContact CD1-CB 4.18Å; I36-V88 HydrophobicContact CD1-CG1 3.97Å; I36-V88 HydrophobicContact CG1-CB 4.36Å; I36-V88 HydrophobicContact CG1-CG1 3.84Å; I36-L103 HydrophobicContact CB-CD1 4.44Å; I36-L103 HydrophobicContact CG1-CD2 4.39Å; I36-L103 HydrophobicContact CG2-CD1 4.13Å; I36-R107 PolarHBondContact O-NE 3.19Å; I36-R107 PolarHBondContact O-NH2 2.84Å
37F98Very high96.2Very high0 Ų064.4 Ų64.40%033%0.334CS..Hα-helixtrans-103.8-10.8-175.4-57.7-69.8000112.7M28 E33 D41 T42 Y43 L44 I47 I55 L57 F85M28-F37 HydrophobicContact CE-CE2 4.18Å; M28-F37 HydrophobicContact SD-CE2 3.96Å; E33-F37 HydrophobicContact CG-CD2 3.77Å; E33-F37 HydrophobicContact CG-CE2 4.46Å; E33-F37 PolarHBondContact O-N 2.89Å; F37-D41 CarbonylContact O-C 3.56Å; F37-D41 WeakPolarHBondContact O-CA 3.16Å; F37-T42 PolarHBondContact O-N 3.11Å; F37-T42 VanDerWaalsContact O-N 3.16Å; F37-Y43 WeakPolarHBondContact O-CB 3.05Å; F37-Y43 PolarHBondContact O-N 2.77Å; F37-L44 HydrophobicContact CD1-CB 4.26Å; F37-L44 HydrophobicContact CD1-CD1 3.69Å; F37-L44 HydrophobicContact CE1-CD1 3.84Å; F37-I47 HydrophobicContact CD1-CD1 4.08Å; F37-I47 HydrophobicContact CE1-CD1 4.33Å; F37-I55 HydrophobicContact CE1-CD1 4.09Å; F37-I55 HydrophobicContact CE1-CG2 4.09Å; F37-I55 HydrophobicContact CZ-CG2 4.09Å; F37-L57 HydrophobicContact CB-CD1 4.07Å; F37-L57 HydrophobicContact CD1-CD1 4.21Å; F37-L57 HydrophobicContact CD2-CD1 3.73Å; F37-L57 HydrophobicContact CD2-CD2 4.02Å; F37-L57 HydrophobicContact CE1-CD2 4.5Å; F37-L57 HydrophobicContact CE2-CD1 4.2Å; F37-L57 HydrophobicContact CE2-CD2 3.63Å; F37-L57 HydrophobicContact CG-CD1 3.73Å; F37-L57 HydrophobicContact CZ-CD2 3.89Å; F37-F85 AromaticContact CZ-CE1 3.95Å; F37-F85 HydrophobicContact CZ-CE1 3.95Å; F37-F85 AromaticContact CZ-CZ 3.99Å; F37-F85 HydrophobicContact CZ-CZ 3.99Å
38G96.6Very high96.3Very high8 Ų860.5 Ų60.58%0.08232%0.316CS..  trans79163.1-179.100000112E34 G40 D41E34-G38 WeakPolarHBondContact O-CA 3.44Å; E34-G38 PolarHBondContact O-N 3.33Å; G38-G40 PolarHBondContact O-N 2.97Å; G38-D41 PolarHBondContact O-N 3.23Å
39L93.8Very high96.3Very high132 Ų13264.7 Ų64.769%0.69134%0.338SS*.G310 helixtrans-57.2127.2174.2-175.167.9000110D41 T42L39-D41 PolarHBondContact O-N 3.38Å; L39-T42 VanDerWaalsContact O-CG2 3.24Å; L39-T42 WeakPolarHBondContact O-CG2 3.35Å; L39-T42 PolarHBondContact O-OG1 2.85Å
40G91Very high96.3Very high72 Ų7262.2 Ų62.274%0.74233%0.327SS*.G310 helixtrans5933.5-17700000113.6G38 T42G38-G40 PolarHBondContact O-N 2.97Å; G40-T42 PolarHBondContact O-N 2.8Å
41D95.4Very high96.5Very high65 Ų6556.4 Ų56.435%0.34830%0.3SS..G310 helixtrans60.626.1174.3-55.9-31.1000115F37 G38 L39 Y43 L44 L57F37-D41 CarbonylContact O-C 3.56Å; F37-D41 WeakPolarHBondContact O-CA 3.16Å; G38-D41 PolarHBondContact O-N 3.23Å; L39-D41 PolarHBondContact O-N 3.38Å; D41-Y43 PolarHBondContact O-N 3.27Å; D41-L44 HydrophobicContact CB-CB 3.83Å; D41-L44 HydrophobicContact CB-CD2 4.06Å; D41-L44 VanDerWaalsContact O-CB 3.29Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3Å; D41-L57 WeakPolarHBondContact OD1-CD1 3.48Å
42T97.4Very high96.6Very high99 Ų9953.3 Ų53.361%0.60728%0.281SS*.THydrogen-bonded Turntrans-51.6-28.5-177.945.40000115.1F37 L39 G40F37-T42 PolarHBondContact O-N 3.11Å; F37-T42 VanDerWaalsContact O-N 3.16Å; L39-T42 VanDerWaalsContact O-CG2 3.24Å; L39-T42 WeakPolarHBondContact O-CG2 3.35Å; L39-T42 PolarHBondContact O-OG1 2.85Å; G40-T42 PolarHBondContact O-N 2.8Å
43Y98.2Very high96.6Very high104 Ų10451.9 Ų51.941%0.40827%0.274SS..THydrogen-bonded Turntrans-101.5-6.8177.2-61.3-71.5000114.2F37 D41 R45 C46 I47 R107F37-Y43 WeakPolarHBondContact O-CB 3.05Å; F37-Y43 PolarHBondContact O-N 2.77Å; D41-Y43 PolarHBondContact O-N 3.27Å; Y43-R45 VanDerWaalsContact C-N 3.32Å; Y43-R45 PolarHBondContact O-N 3.32Å; Y43-C46 PolarHBondContact O-N 2.67Å; Y43-C46 PolarHBondContact O-SG 3.36Å; Y43-I47 VanDerWaalsContact O-CG1 3.27Å; Y43-I47 WeakPolarHBondContact O-CG1 3.24Å; Y43-I47 PolarHBondContact O-N 2.66Å; Y43-R107 HydrophobicContact CD1-CG 4.09Å; Y43-R107 HydrophobicContact CG-CG 4.3Å
44L98.2Very high96.7Very high28 Ų2854.9 Ų54.915%0.14729%0.291CS..Hα-helixtrans-54.9-50.2-177.817762000111.1F37 D41 C46 I47 E48 I55 L57F37-L44 HydrophobicContact CD1-CB 4.26Å; F37-L44 HydrophobicContact CD1-CD1 3.69Å; F37-L44 HydrophobicContact CE1-CD1 3.84Å; D41-L44 HydrophobicContact CB-CB 3.83Å; D41-L44 HydrophobicContact CB-CD2 4.06Å; D41-L44 VanDerWaalsContact O-CB 3.29Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3Å; L44-C46 PolarHBondContact O-N 3.4Å; L44-I47 PolarHBondContact O-N 3.03Å; L44-E48 HydrophobicContact CD1-CG 4.41Å; L44-E48 WeakPolarHBondContact O-CG 3.35Å; L44-E48 PolarHBondContact O-N 3.02Å; L44-I55 HydrophobicContact CD1-CB 3.75Å; L44-I55 HydrophobicContact CD1-CG2 3.79Å; L44-L57 HydrophobicContact CD1-CD1 4.1Å; L44-L57 HydrophobicContact CD1-CG 4.3Å; L44-L57 HydrophobicContact CD2-CD1 4.11Å; L44-L57 HydrophobicContact CD2-CG 4.44Å
45R97.5Very high96.8Very high153 Ų15350.2 Ų50.258%0.57727%0.269SS*.Hα-helixtrans-63.7-39.7-177-17555.5178175.10.7113.1Y43 E48 L49Y43-R45 VanDerWaalsContact C-N 3.32Å; Y43-R45 PolarHBondContact O-N 3.32Å; R45-E48 IonicContact NH1-OE2 3.19Å; R45-E48 PolarHBondContact NH1-OE2 3.05Å; R45-L49 HydrophobicContact CG-CD1 4.18Å; R45-L49 WeakPolarHBondContact O-CB 3.41Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.29Å; R45-L49 PolarHBondContact O-N 3.39Å; R45-L49 VanDerWaalsContact O-N 3.13Å
46C97Very high96.8Very high32 Ų3252.1 Ų52.122%0.21628%0.276CS..Hα-helixtrans-70.7-37.3178.772.10000111.2Y43 L44 L49 H50Y43-C46 PolarHBondContact O-N 2.67Å; Y43-C46 PolarHBondContact O-SG 3.36Å; L44-C46 PolarHBondContact O-N 3.4Å; C46-L49 PolarHBondContact O-N 3.13Å; C46-H50 WeakPolarHBondContact O-CB 3.36Å; C46-H50 PolarHBondContact O-N 3.37Å; C46-H50 PolarHBondContact O-ND1 3.41Å
47I98.3Very high96.7Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-63-45.7176.3-67.6169.1000110.8I36 F37 Y43 L44 L49 H50 S51 I55 L81 L103 V106 R107I36-I47 HydrophobicContact CG2-CD1 4.32Å; I36-I47 WeakPolarHBondContact O-CD1 3.36Å; F37-I47 HydrophobicContact CD1-CD1 4.08Å; F37-I47 HydrophobicContact CE1-CD1 4.33Å; Y43-I47 VanDerWaalsContact O-CG1 3.27Å; Y43-I47 WeakPolarHBondContact O-CG1 3.24Å; Y43-I47 PolarHBondContact O-N 2.66Å; L44-I47 PolarHBondContact O-N 3.03Å; I47-L49 PolarHBondContact O-N 3.49Å; I47-H50 PolarHBondContact O-N 2.93Å; I47-S51 VanDerWaalsContact O-CB 3.23Å; I47-S51 WeakPolarHBondContact O-CB 3.34Å; I47-S51 PolarHBondContact O-N 2.98Å; I47-S51 PolarHBondContact O-OG 2.93Å; I47-I55 HydrophobicContact CG2-CD1 3.73Å; I47-L81 HydrophobicContact CG2-CD2 4.09Å; I47-L103 HydrophobicContact CD1-CD1 4.26Å; I47-V106 HydrophobicContact CG1-CG1 4.28Å; I47-V106 HydrophobicContact CG2-CG2 4.36Å; I47-R107 HydrophobicContact CD1-CG 4.3Å; I47-R107 HydrophobicContact CG1-CG 4.15Å
48E97.9Very high96.7Very high17 Ų1755.9 Ų55.98%0.07930%0.295CS..Hα-helixtrans-55.9-51.4174.6-74.3-172.5141.800112.1L44 R45 H50 S51 H52 T53 L54 I55L44-E48 HydrophobicContact CD1-CG 4.41Å; L44-E48 WeakPolarHBondContact O-CG 3.35Å; L44-E48 PolarHBondContact O-N 3.02Å; R45-E48 IonicContact NH1-OE2 3.19Å; R45-E48 PolarHBondContact NH1-OE2 3.05Å; E48-H50 PolarHBondContact O-N 2.83Å; E48-S51 PolarHBondContact O-OG 2.71Å; E48-H52 PolarHBondContact O-N 2.88Å; E48-T53 CarbonylContact C-O 3.59Å; E48-T53 WeakPolarHBondContact CA-O 3.45Å; E48-T53 VanDerWaalsContact CB-O 3.26Å; E48-T53 WeakPolarHBondContact CB-O 3.25Å; E48-T53 PolarHBondContact O-N 2.82Å; E48-T53 VanDerWaalsContact O-N 3.08Å; E48-L54 WeakPolarHBondContact OE1-CD1 3.37Å; E48-I55 HydrophobicContact CG-CB 4.13Å; E48-I55 HydrophobicContact CG-CD1 4.33Å; E48-I55 HydrophobicContact CG-CG1 4.13Å; E48-I55 PolarHBondContact OE1-N 3.41Å
49L96.4Very high96.5Very high90 Ų9059.6 Ų59.647%0.47132%0.319SS..Hα-helixtrans-62-45.3-179.6-72.5173.2000111.7R45 C46 I47 H52R45-L49 HydrophobicContact CG-CD1 4.18Å; R45-L49 WeakPolarHBondContact O-CB 3.41Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.29Å; R45-L49 PolarHBondContact O-N 3.39Å; R45-L49 VanDerWaalsContact O-N 3.13Å; C46-L49 PolarHBondContact O-N 3.13Å; I47-L49 PolarHBondContact O-N 3.49Å; L49-H52 PolarHBondContact O-CD2 3.41Å; L49-H52 VanDerWaalsContact O-CD2 3.24Å
50H97.4Very high96.4Very high36 Ų3657.4 Ų57.417%0.16731%0.314CS..Hα-helixtrans-76.7-28.2-174.9-69.4172.3000113.2C46 I47 E48 V106 R107 Q109 P110 L111C46-H50 WeakPolarHBondContact O-CB 3.36Å; C46-H50 PolarHBondContact O-N 3.37Å; C46-H50 PolarHBondContact O-ND1 3.41Å; I47-H50 PolarHBondContact O-N 2.93Å; E48-H50 PolarHBondContact O-N 2.83Å; H50-V106 HydrophobicContact CB-CG2 3.97Å; H50-V106 WeakPolarHBondContact CB-O 3.18Å; H50-V106 VanDerWaalsContact CG-O 3.31Å; H50-V106 PolarHBondContact ND1-O 3.14Å; H50-R107 PolarHBondContact CE1-O 2.61Å; H50-R107 PolarHBondContact ND1-O 3.48Å; H50-Q109 VanDerWaalsContact CG-C 3.46Å; H50-P110 CarbonylContact O-C 3.55Å; H50-P110 WeakPolarHBondContact O-CA 3.27Å; H50-L111 PolarHBondContact O-N 3.46Å
51S95.9Very high96.5Very high1 Ų158.1 Ų58.11%0.00730%0.297CS..Hα-helixtrans-90.8-7.9176.663.50000113.6I47 E48 T53 A77I47-S51 VanDerWaalsContact O-CB 3.23Å; I47-S51 WeakPolarHBondContact O-CB 3.34Å; I47-S51 PolarHBondContact O-N 2.98Å; I47-S51 PolarHBondContact O-OG 2.93Å; E48-S51 PolarHBondContact O-OG 2.71Å; S51-T53 VanDerWaalsContact C-N 3.3Å; S51-T53 PolarHBondContact OG-OG1 3.46Å; S51-A77 VanDerWaalsContact O-CB 3.24Å; S51-A77 WeakPolarHBondContact O-CB 3.48Å
52H95.2Very high96.4Very high56 Ų5656.6 Ų56.626%0.25929%0.29SS..THydrogen-bonded Turntrans56.345.9-170.8-60.9149.2000112.1L8 W13 E48 L49 P74L8-H52 WeakPolarHBondContact CD1-ND1 3.16Å; L8-H52 HydrophobicContact CD2-CB 4.11Å; L8-H52 WeakPolarHBondContact CD2-ND1 3.44Å; W13-H52 HydrophobicContact CB-CB 4.45Å; W13-H52 VanDerWaalsContact CD1-CB 3.43Å; W13-H52 AromaticContact CD1-CG 3.99Å; W13-H52 VanDerWaalsContact CD2-O 3.28Å; W13-H52 HydrophobicContact CG-CB 3.96Å; E48-H52 PolarHBondContact O-N 2.88Å; L49-H52 PolarHBondContact O-CD2 3.41Å; L49-H52 VanDerWaalsContact O-CD2 3.24Å; H52-P74 WeakPolarHBondContact O-CD 3.49Å
53T96.5Very high96.2Very high3 Ų357.5 Ų57.52%0.01831%0.308CS..  trans-131.6165176.8670000110.9W13 E48 S51 V71 V72 A77 L81W13-T53 VanDerWaalsContact CZ2-C 3.43Å; E48-T53 CarbonylContact C-O 3.59Å; E48-T53 WeakPolarHBondContact CA-O 3.45Å; E48-T53 VanDerWaalsContact CB-O 3.26Å; E48-T53 WeakPolarHBondContact CB-O 3.25Å; E48-T53 PolarHBondContact O-N 2.82Å; E48-T53 VanDerWaalsContact O-N 3.08Å; S51-T53 VanDerWaalsContact C-N 3.3Å; S51-T53 PolarHBondContact OG-OG1 3.46Å; T53-V71 HydrophobicContact CG2-CG1 4.1Å; T53-V72 CarbonylContact C-O 3.14Å; T53-V72 VanDerWaalsContact CA-O 3.28Å; T53-V72 WeakPolarHBondContact CA-O 3.48Å; T53-V72 WeakPolarHBondContact CB-O 3.46Å; T53-A77 HydrophobicContact CG2-CB 3.87Å; T53-L81 HydrophobicContact CG2-CD1 3.77Å; T53-L81 WeakPolarHBondContact OG1-CD1 3.31Å
54L97.5Very high95.9Very high83 Ų8356.4 Ų56.444%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-112.3133.5163.9175.784.7000107.5W13 E48 V71 V72W13-L54 HydrophobicContact CH2-CB 3.67Å; W13-L54 HydrophobicContact CZ2-CB 4.24Å; E48-L54 WeakPolarHBondContact OE1-CD1 3.37Å; L54-V71 WeakPolarHBondContact O-CA 3.4Å; L54-V72 HydrophobicContact CB-CG2 3.71Å; L54-V72 HydrophobicContact CD2-CG2 3.97Å; L54-V72 HydrophobicContact CG-CG2 4.34Å; L54-V72 PolarHBondContact N-O 2.98Å; L54-V72 PolarHBondContact O-N 3.02Å
55I98.3Very high95.6Very high6 Ų655.9 Ų55.93%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-124.1119-174.8-58.3173000107.7F37 L44 I47 E48 L57 V69 T70 V71 L81F37-I55 HydrophobicContact CE1-CD1 4.09Å; F37-I55 HydrophobicContact CE1-CG2 4.09Å; F37-I55 HydrophobicContact CZ-CG2 4.09Å; L44-I55 HydrophobicContact CD1-CB 3.75Å; L44-I55 HydrophobicContact CD1-CG2 3.79Å; I47-I55 HydrophobicContact CG2-CD1 3.73Å; E48-I55 HydrophobicContact CG-CB 4.13Å; E48-I55 HydrophobicContact CG-CD1 4.33Å; E48-I55 HydrophobicContact CG-CG1 4.13Å; E48-I55 PolarHBondContact OE1-N 3.41Å; I55-L57 HydrophobicContact CG2-CD2 3.89Å; I55-L57 HydrophobicContact CG2-CG 4.38Å; I55-V69 HydrophobicContact CG2-CG1 4.06Å; I55-T70 CarbonylContact C-O 3.56Å; I55-T70 WeakPolarHBondContact CA-O 3.32Å; I55-V71 HydrophobicContact CG1-CG1 4.14Å; I55-V71 HydrophobicContact CG1-CG2 4.14Å; I55-V71 HydrophobicContact CG2-CG2 4.4Å; I55-L81 HydrophobicContact CD1-CD1 4.16Å
56Q97.8Very high95.6Very high109 Ų10950.7 Ų50.751%0.50930%0.304SS..EExtended strand (participates in β ladder)trans-102.7125.5172.3-179.1178-15.400109.2E58 T70Q56-E58 HydrophobicContact CG-CG 4.41Å; Q56-T70 PolarHBondContact N-O 2.74Å; Q56-T70 PolarHBondContact O-N 3.34Å
57L97.5Very high95.5Very high31 Ų3149.2 Ų49.216%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-105.7128.4174-55.4179.7000108.9F37 D41 L44 I55 T67 V69F37-L57 HydrophobicContact CB-CD1 4.07Å; F37-L57 HydrophobicContact CD1-CD1 4.21Å; F37-L57 HydrophobicContact CD2-CD1 3.73Å; F37-L57 HydrophobicContact CD2-CD2 4.02Å; F37-L57 HydrophobicContact CE1-CD2 4.5Å; F37-L57 HydrophobicContact CE2-CD1 4.2Å; F37-L57 HydrophobicContact CE2-CD2 3.63Å; F37-L57 HydrophobicContact CG-CD1 3.73Å; F37-L57 HydrophobicContact CZ-CD2 3.89Å; D41-L57 WeakPolarHBondContact OD1-CD1 3.48Å; L44-L57 HydrophobicContact CD1-CD1 4.1Å; L44-L57 HydrophobicContact CD1-CG 4.3Å; L44-L57 HydrophobicContact CD2-CD1 4.11Å; L44-L57 HydrophobicContact CD2-CG 4.44Å; I55-L57 HydrophobicContact CG2-CD2 3.89Å; I55-L57 HydrophobicContact CG2-CG 4.38Å; L57-T67 HydrophobicContact CB-CG2 4.22Å; L57-T67 HydrophobicContact CD2-CG2 4.43Å; L57-V69 HydrophobicContact CD2-CB 4.34Å; L57-V69 HydrophobicContact CD2-CG1 4Å; L57-V69 HydrophobicContact CD2-CG2 3.8Å
58E96.6Very high95.5Very high49 Ų4952.7 Ų52.723%0.22931%0.307CS..EExtended strand (participates in β ladder)trans-120.796.6172-66.8171.9-105.700107.9Q56 F61 T67 R68Q56-E58 HydrophobicContact CG-CG 4.41Å; E58-F61 HydrophobicContact CB-CD2 4.2Å; E58-F61 WeakPolarHBondContact O-CB 3.49Å; E58-T67 WeakPolarHBondContact O-CA 3.49Å; E58-T67 WeakPolarHBondContact O-CG2 3.18Å; E58-R68 HydrophobicContact CB-CB 4.27Å; E58-R68 PolarHBondContact N-O 3.19Å; E58-R68 PolarHBondContact O-N 2.87Å; E58-R68 IonicContact OE1-CZ 3.11Å; E58-R68 IonicContact OE1-NE 2.8Å; E58-R68 PolarHBondContact OE1-NE 3.19Å; E58-R68 IonicContact OE1-NH2 2.67Å; E58-R68 PolarHBondContact OE1-NH2 2.83Å; E58-R68 IonicContact OE2-CZ 3.35Å; E58-R68 IonicContact OE2-NE 3.57Å; E58-R68 IonicContact OE2-NH2 2.63Å; E58-R68 PolarHBondContact OE2-NH2 3.16Å
59S93.1Very high95.5Very high85 Ų8551.9 Ų51.959%0.59430%0.303SS*.THydrogen-bonded Turntrans-69.2152.5-17659.50000112.5F61 T67S59-F61 PolarHBondContact O-N 2.96Å; S59-F61 VanDerWaalsContact O-N 3.11Å; S59-T67 WeakPolarHBondContact CA-OG1 3.22Å
60C91.9Very high95.6Very high87 Ų8748.7 Ų48.759%0.58829%0.288SS*.THydrogen-bonded Turntrans50.936.2-179.3-60.30000113.1T62C60-T62 VanDerWaalsContact C-N 3.32Å; C60-T62 PolarHBondContact O-N 3.46Å
61F93.6Very high95.6Very high86 Ų8647 Ų4738%0.37728%0.28SS..  trans-67.3-34.1-176.2-172.9-96.4000112.1H27 E58 S59 Q66 R68H27-F61 AromaticContact NE2-CD1 3.96Å; E58-F61 HydrophobicContact CB-CD2 4.2Å; E58-F61 WeakPolarHBondContact O-CB 3.49Å; S59-F61 PolarHBondContact O-N 2.96Å; S59-F61 VanDerWaalsContact O-N 3.11Å; F61-Q66 WeakPolarHBondContact CA-O 3.28Å; F61-Q66 WeakPolarHBondContact CB-O 3.43Å; F61-Q66 PolarHBondContact N-O 3.5Å; F61-R68 HydrophobicContact CB-CB 3.75Å; F61-R68 HydrophobicContact CD1-CB 3.71Å; F61-R68 HydrophobicContact CD1-CG 4.41Å; F61-R68 HydrophobicContact CD2-CB 3.91Å; F61-R68 HydrophobicContact CE1-CB 4.37Å; F61-R68 HydrophobicContact CG-CB 3.47Å; F61-R68 VanDerWaalsContact CG-CB 3.47Å; F61-R68 HydrophobicContact CG-CG 4.47Å; F61-R68 VanDerWaalsContact CZ-CZ 3.44Å
62T93.4Very high95.7Very high33 Ų3347.9 Ų47.920%0.20229%0.285CS..SBendtrans-103.3161.117680.20000111.6C60 A64 G65 Q66C60-T62 VanDerWaalsContact C-N 3.32Å; C60-T62 PolarHBondContact O-N 3.46Å; T62-A64 PolarHBondContact O-N 3.25Å; T62-A64 VanDerWaalsContact O-N 3.1Å; T62-A64 PolarHBondContact OG1-N 3.25Å; T62-G65 PolarHBondContact O-N 2.87Å; T62-Q66 HydrophobicContact CG2-CB 4.03Å; T62-Q66 PolarHBondContact N-O 3.03Å; T62-Q66 WeakPolarHBondContact OG1-CB 3.35Å; T62-Q66 PolarHBondContact OG1-N 3.14Å; T62-Q66 PolarHBondContact OG1-OE1 3.33Å
63A92.6Very high95.7Very high119 Ų11945.2 Ų45.298%0.98327%0.272SS*.THydrogen-bonded Turntrans-61.8-17.3174.700000113.5G65A63-G65 VanDerWaalsContact C-N 3.3Å
64A92.1Very high95.6Very high80 Ų8045.7 Ų45.766%0.66128%0.276SS*.THydrogen-bonded Turntrans-86.10.4174.400000113T62 Q66T62-A64 PolarHBondContact O-N 3.25Å; T62-A64 VanDerWaalsContact O-N 3.1Å; T62-A64 PolarHBondContact OG1-N 3.25Å; A64-Q66 HydrophobicContact CB-CG 4.4Å
65G92.1Very high95.3Very high18 Ų1846 Ų4619%0.18628%0.283CS..  trans86.30.8-177.900000114.4T62 A63T62-G65 PolarHBondContact O-N 2.87Å; A63-G65 VanDerWaalsContact C-N 3.3Å
66Q95.8Very high95Very high44 Ų4446.8 Ų46.821%0.20629%0.287CS..PPolyproline II helixtrans-66.3144.1-178.3-59.5170-58.200111.6H27 M28 E29 F61 T62 A64H27-Q66 HydrophobicContact CB-CB 4.25Å; M28-Q66 CarbonylContact O-C 3.48Å; M28-Q66 WeakPolarHBondContact O-CA 3.26Å; M28-Q66 WeakPolarHBondContact O-CB 3.32Å; E29-Q66 PolarHBondContact OE1-NE2 3.14Å; F61-Q66 WeakPolarHBondContact CA-O 3.28Å; F61-Q66 WeakPolarHBondContact CB-O 3.43Å; F61-Q66 PolarHBondContact N-O 3.5Å; T62-Q66 HydrophobicContact CG2-CB 4.03Å; T62-Q66 PolarHBondContact N-O 3.03Å; T62-Q66 WeakPolarHBondContact OG1-CB 3.35Å; T62-Q66 PolarHBondContact OG1-N 3.14Å; T62-Q66 PolarHBondContact OG1-OE1 3.33Å; A64-Q66 HydrophobicContact CB-CG 4.4Å
67T96.3Very high94.8Very high1 Ų141.6 Ų41.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-89.2135177.8-67.80000110.6H27 M28 E33 L57 E58 S59 V69H27-T67 CarbonylContact C-O 3.55Å; H27-T67 VanDerWaalsContact CA-O 3.32Å; H27-T67 WeakPolarHBondContact CA-O 3.5Å; M28-T67 PolarHBondContact N-O 3.31Å; M28-T67 PolarHBondContact O-N 3.48Å; E33-T67 HydrophobicContact CG-CG2 4.48Å; E33-T67 WeakPolarHBondContact OE2-CB 3.27Å; E33-T67 WeakPolarHBondContact OE2-CG2 3.23Å; E33-T67 PolarHBondContact OE2-OG1 3Å; L57-T67 HydrophobicContact CB-CG2 4.22Å; L57-T67 HydrophobicContact CD2-CG2 4.43Å; E58-T67 WeakPolarHBondContact O-CA 3.49Å; E58-T67 WeakPolarHBondContact O-CG2 3.18Å; S59-T67 WeakPolarHBondContact CA-OG1 3.22Å; T67-V69 HydrophobicContact CG2-CG2 4.18Å
68R97.8Very high94.7Very high72 Ų7241.2 Ų41.227%0.27226%0.26SS..EExtended strand (participates in β ladder)trans-85.5118.4169.3-178.5173.775.1-178.14108.7V25 E58 F61V25-R68 HydrophobicContact CG1-CG 3.89Å; E58-R68 HydrophobicContact CB-CB 4.27Å; E58-R68 PolarHBondContact N-O 3.19Å; E58-R68 PolarHBondContact O-N 2.87Å; E58-R68 IonicContact OE1-CZ 3.11Å; E58-R68 IonicContact OE1-NE 2.8Å; E58-R68 PolarHBondContact OE1-NE 3.19Å; E58-R68 IonicContact OE1-NH2 2.67Å; E58-R68 PolarHBondContact OE1-NH2 2.83Å; E58-R68 IonicContact OE2-CZ 3.35Å; E58-R68 IonicContact OE2-NE 3.57Å; E58-R68 IonicContact OE2-NH2 2.63Å; E58-R68 PolarHBondContact OE2-NH2 3.16Å; F61-R68 HydrophobicContact CB-CB 3.75Å; F61-R68 HydrophobicContact CD1-CB 3.71Å; F61-R68 HydrophobicContact CD1-CG 4.41Å; F61-R68 HydrophobicContact CD2-CB 3.91Å; F61-R68 HydrophobicContact CE1-CB 4.37Å; F61-R68 HydrophobicContact CG-CB 3.47Å; F61-R68 VanDerWaalsContact CG-CB 3.47Å; F61-R68 HydrophobicContact CG-CG 4.47Å; F61-R68 VanDerWaalsContact CZ-CZ 3.44Å
69V98.1Very high94.5Very high0 Ų044.2 Ų44.20%027%0.274CS..EExtended strand (participates in β ladder)trans-103.2124.1177.7-175.90000108.7V25 F26 M28 I55 L57 T67 V71V25-V69 WeakPolarHBondContact CA-O 3.1Å; F26-V69 HydrophobicContact CD1-CB 4.33Å; F26-V69 HydrophobicContact CE1-CB 3.78Å; F26-V69 HydrophobicContact CE1-CG1 3.75Å; F26-V69 HydrophobicContact CE2-CB 4.12Å; F26-V69 HydrophobicContact CE2-CG2 4.28Å; F26-V69 HydrophobicContact CZ-CB 3.65Å; F26-V69 HydrophobicContact CZ-CG1 3.68Å; F26-V69 HydrophobicContact CZ-CG2 4.15Å; F26-V69 PolarHBondContact N-O 2.96Å; F26-V69 VanDerWaalsContact N-O 3.09Å; F26-V69 PolarHBondContact O-N 2.96Å; M28-V69 HydrophobicContact CB-CG2 3.85Å; M28-V69 HydrophobicContact CE-CG2 4.1Å; M28-V69 HydrophobicContact SD-CG2 4.31Å; I55-V69 HydrophobicContact CG2-CG1 4.06Å; L57-V69 HydrophobicContact CD2-CB 4.34Å; L57-V69 HydrophobicContact CD2-CG1 4Å; L57-V69 HydrophobicContact CD2-CG2 3.8Å; T67-V69 HydrophobicContact CG2-CG2 4.18Å; V69-V71 HydrophobicContact CG1-CG2 4.05Å
70T98.1Very high94.6Very high24 Ų2440.5 Ų40.515%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-117.2126.5174.4-61.70000109.7P23 M24 V25 I55 Q56P23-T70 HydrophobicContact CB-CG2 3.94Å; M24-T70 CarbonylContact O-C 3.5Å; M24-T70 WeakPolarHBondContact O-CA 3.2Å; V25-T70 HydrophobicContact CG2-CG2 4.08Å; I55-T70 CarbonylContact C-O 3.56Å; I55-T70 WeakPolarHBondContact CA-O 3.32Å; Q56-T70 PolarHBondContact N-O 2.74Å; Q56-T70 PolarHBondContact O-N 3.34Å
71V98.1Very high94.9Very high0 Ų036.4 Ų36.40%022%0.219CC..EExtended strand (participates in β ladder)trans-122.9127.7179.3-170.90000110.9P23 M24 T53 L54 I55 V69 K78 L81 F85P23-V71 WeakPolarHBondContact CA-O 3.45Å; M24-V71 HydrophobicContact CB-CB 4.34Å; M24-V71 HydrophobicContact CE-CB 3.77Å; M24-V71 HydrophobicContact CE-CG1 4.34Å; M24-V71 HydrophobicContact CE-CG2 3.56Å; M24-V71 PolarHBondContact N-O 3.16Å; M24-V71 PolarHBondContact O-N 3.32Å; T53-V71 HydrophobicContact CG2-CG1 4.1Å; L54-V71 WeakPolarHBondContact O-CA 3.4Å; I55-V71 HydrophobicContact CG1-CG1 4.14Å; I55-V71 HydrophobicContact CG1-CG2 4.14Å; I55-V71 HydrophobicContact CG2-CG2 4.4Å; V69-V71 HydrophobicContact CG1-CG2 4.05Å; V71-K78 HydrophobicContact CG1-CG 4.13Å; V71-K78 WeakPolarHBondContact O-CD 3.36Å; V71-L81 HydrophobicContact CG1-CD1 3.94Å; V71-F85 HydrophobicContact CG2-CE2 4.18Å
72V97.2Very high95Very high19 Ų1934.2 Ų34.212%0.11521%0.211CC..EExtended strand (participates in β ladder)trans-119.6151.8169.9-630000110.4F20 P23 T53 L54F20-V72 HydrophobicContact CD1-CB 4.26Å; F20-V72 HydrophobicContact CD1-CG2 3.99Å; F20-V72 HydrophobicContact CE1-CG2 4.14Å; P23-V72 HydrophobicContact CB-CG1 3.79Å; T53-V72 CarbonylContact C-O 3.14Å; T53-V72 VanDerWaalsContact CA-O 3.28Å; T53-V72 WeakPolarHBondContact CA-O 3.48Å; T53-V72 WeakPolarHBondContact CB-O 3.46Å; L54-V72 HydrophobicContact CB-CG2 3.71Å; L54-V72 HydrophobicContact CD2-CG2 3.97Å; L54-V72 HydrophobicContact CG-CG2 4.34Å; L54-V72 PolarHBondContact N-O 2.98Å; L54-V72 PolarHBondContact O-N 3.02Å
73G95.5Very high95.1Very high0 Ų034.8 Ų34.80%021%0.213CC..SBendtrans144.1-175.2-17400000112.4N19 K78N19-G73 PolarHBondContact O-N 2.9Å; G73-K78 VanDerWaalsContact O-CE 3.24Å; G73-K78 WeakPolarHBondContact O-CE 3.36Å
74P94.3Very high95.3Very high14 Ų1429.1 Ų29.19%0.09117%0.166CC..  trans-52.8135.4178.6-26.636000112L8 W13 N19 H52 I76 A77 K78L8-P74 HydrophobicContact CD2-CG 4.47Å; W13-P74 HydrophobicContact CB-CG 3.94Å; N19-P74 WeakPolarHBondContact OD1-CA 3.44Å; H52-P74 WeakPolarHBondContact O-CD 3.49Å; P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 3.24Å; P74-I76 VanDerWaalsContact O-N 3.16Å; P74-A77 HydrophobicContact CB-CB 4.2Å; P74-A77 PolarHBondContact O-N 3.08Å; P74-K78 PolarHBondContact O-N 3.02Å
75P91.7Very high95.5Very high90 Ų9025.5 Ų25.558%0.58414%0.135SC*.Hα-helixtrans-51.7-41.7-177.4-30.335.5000114.2K78 Q79P75-K78 PolarHBondContact O-N 3.27Å; P75-Q79 WeakPolarHBondContact O-CB 3.47Å; P75-Q79 PolarHBondContact O-N 2.95Å
76I91.4Very high95.6Very high21 Ų2132.7 Ų32.711%0.10816%0.157CC..Hα-helixtrans-68.3-36-179.8-164.1170.4000112.5P74 Q79 W80 L116 I120P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 3.24Å; P74-I76 VanDerWaalsContact O-N 3.16Å; I76-Q79 PolarHBondContact O-N 2.84Å; I76-W80 WeakPolarHBondContact O-CB 3.04Å; I76-W80 PolarHBondContact O-N 3.4Å; I76-L116 HydrophobicContact CD1-CB 3.78Å; I76-L116 HydrophobicContact CG1-CB 3.97Å; I76-L116 HydrophobicContact CG1-CD2 4.41Å; I76-L116 HydrophobicContact CG2-CD1 3.9Å; I76-L116 HydrophobicContact CG2-CD2 4.46Å; I76-I120 HydrophobicContact CD1-CD1 3.78Å; I76-I120 HydrophobicContact CG1-CD1 4.17Å
77A94.2Very high95.5Very high1 Ų131 Ų311%0.00815%0.15CC..Hα-helixtrans-70.1-42.2175.900000111.3S51 T53 P74 Q79 W80 L81 L116S51-A77 VanDerWaalsContact O-CB 3.24Å; S51-A77 WeakPolarHBondContact O-CB 3.48Å; T53-A77 HydrophobicContact CG2-CB 3.87Å; P74-A77 HydrophobicContact CB-CB 4.2Å; P74-A77 PolarHBondContact O-N 3.08Å; A77-Q79 VanDerWaalsContact C-N 3.29Å; A77-Q79 PolarHBondContact O-N 2.9Å; A77-W80 PolarHBondContact O-N 3.39Å; A77-L81 PolarHBondContact O-N 3.4Å; A77-L116 HydrophobicContact CB-CD2 4.48Å
78K94.3Very high95.6Very high22 Ų2231.2 Ų31.210%0.09615%0.151CC..Hα-helixtrans-56.9-44.2172-69.2-170-65.7-170.10111.2H21 A22 M24 V71 G73 P74 P75 L81 L82H21-K78 PolarHBondContact O-NZ 2.78Å; H21-K78 VanDerWaalsContact O-NZ 3.16Å; A22-K78 PolarHBondContact O-NZ 2.84Å; M24-K78 HydrophobicContact CB-CD 4.48Å; V71-K78 HydrophobicContact CG1-CG 4.13Å; V71-K78 WeakPolarHBondContact O-CD 3.36Å; G73-K78 VanDerWaalsContact O-CE 3.24Å; G73-K78 WeakPolarHBondContact O-CE 3.36Å; P74-K78 PolarHBondContact O-N 3.02Å; P75-K78 PolarHBondContact O-N 3.27Å; K78-L81 PolarHBondContact O-N 3.41Å; K78-L82 WeakPolarHBondContact O-CB 3.24Å; K78-L82 PolarHBondContact O-N 3.16Å
79Q93.1Very high95.3Very high112 Ų11229.3 Ų29.352%0.52315%0.153SC..Hα-helixtrans-66.1-40.6178.9-172.7171.51.400112.5P75 I76 A77 L82 L83P75-Q79 WeakPolarHBondContact O-CB 3.47Å; P75-Q79 PolarHBondContact O-N 2.95Å; I76-Q79 PolarHBondContact O-N 2.84Å; A77-Q79 VanDerWaalsContact C-N 3.29Å; A77-Q79 PolarHBondContact O-N 2.9Å; Q79-L82 WeakPolarHBondContact O-CB 3.24Å; Q79-L82 PolarHBondContact O-N 2.99Å; Q79-L83 PolarHBondContact O-N 3.49Å
80W96Very high95.1Very high8 Ų830.1 Ų30.13%0.0316%0.159CC..Hα-helixtrans-61.6-46175-170.8102.9000111.6I76 A77 L83 M84 M102 V106 L111 D115 L116I76-W80 WeakPolarHBondContact O-CB 3.04Å; I76-W80 PolarHBondContact O-N 3.4Å; A77-W80 PolarHBondContact O-N 3.39Å; W80-L83 PolarHBondContact O-N 3.35Å; W80-M84 HydrophobicContact CE3-CB 4.33Å; W80-M84 HydrophobicContact CH2-CB 4.46Å; W80-M84 HydrophobicContact CH2-CG 4.48Å; W80-M84 HydrophobicContact CZ3-CB 3.98Å; W80-M84 HydrophobicContact CZ3-CG 4.24Å; W80-M84 PolarHBondContact O-N 3.16Å; W80-M102 HydrophobicContact CD2-CE 3.89Å; W80-M102 HydrophobicContact CE3-CE 4.38Å; W80-M102 HydrophobicContact CG-CE 4.36Å; W80-M102 HydrophobicContact CH2-CB 3.84Å; W80-M102 HydrophobicContact CH2-CE 4.23Å; W80-M102 VanDerWaalsContact CH2-O 3.31Å; W80-M102 WeakPolarHBondContact CH2-O 3.5Å; W80-M102 HydrophobicContact CZ2-CB 3.95Å; W80-M102 HydrophobicContact CZ2-CE 3.73Å; W80-M102 HydrophobicContact CZ2-CG 4.22Å; W80-V106 HydrophobicContact CH2-CB 3.76Å; W80-V106 HydrophobicContact CH2-CG1 4.1Å; W80-V106 HydrophobicContact CZ3-CB 3.81Å; W80-V106 HydrophobicContact CZ3-CG1 4.01Å; W80-V106 HydrophobicContact CZ3-CG2 4.22Å; W80-L111 HydrophobicContact CD2-CD1 3.67Å; W80-L111 HydrophobicContact CD2-CD2 4.24Å; W80-L111 HydrophobicContact CE3-CD1 3.59Å; W80-L111 HydrophobicContact CE3-CD2 4.35Å; W80-L111 HydrophobicContact CG-CD1 4.12Å; W80-L111 HydrophobicContact CH2-CD1 4.46Å; W80-L111 HydrophobicContact CH2-CD2 3.77Å; W80-L111 HydrophobicContact CZ2-CD2 3.62Å; W80-L111 HydrophobicContact CZ3-CD1 4.02Å; W80-L111 HydrophobicContact CZ3-CD2 4.14Å; W80-D115 PolarHBondContact NE1-O 3.49Å; W80-D115 VanDerWaalsContact NE1-O 3.14Å; W80-L116 HydrophobicContact CB-CD2 3.77Å; W80-L116 HydrophobicContact CG-CD2 4.03Å
81L97.1Very high94.8Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-63-42.8176.2-75.8176.2000111.8I47 T53 I55 V71 A77 K78 L83 M84 F85I47-L81 HydrophobicContact CG2-CD2 4.09Å; T53-L81 HydrophobicContact CG2-CD1 3.77Å; T53-L81 WeakPolarHBondContact OG1-CD1 3.31Å; I55-L81 HydrophobicContact CD1-CD1 4.16Å; V71-L81 HydrophobicContact CG1-CD1 3.94Å; A77-L81 PolarHBondContact O-N 3.4Å; K78-L81 PolarHBondContact O-N 3.41Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.29Å; L81-M84 HydrophobicContact CD2-CE 4Å; L81-M84 WeakPolarHBondContact O-CB 3.49Å; L81-M84 PolarHBondContact O-N 3.32Å; L81-M84 VanDerWaalsContact O-N 3.16Å; L81-F85 HydrophobicContact CB-CD2 4.44Å; L81-F85 HydrophobicContact CB-CE2 3.9Å; L81-F85 HydrophobicContact CB-CZ 4.08Å; L81-F85 HydrophobicContact CD2-CE1 4.48Å; L81-F85 HydrophobicContact CD2-CZ 4.24Å; L81-F85 WeakPolarHBondContact O-CD2 3.41Å; L81-F85 WeakPolarHBondContact O-CG 3.29Å; L81-F85 PolarHBondContact O-N 2.96Å
82L95.3Very high94.5Very high41 Ų4144.8 Ų44.822%0.21522%0.221CC..Hα-helixtrans-56.4-44.5175.6-175.753.3000111.9M24 K78 Q79 F85 R86M24-L82 HydrophobicContact CE-CB 4.21Å; M24-L82 HydrophobicContact SD-CB 3.51Å; M24-L82 VanDerWaalsContact SD-CB 3.51Å; M24-L82 HydrophobicContact SD-CD1 3.7Å; M24-L82 HydrophobicContact SD-CD2 3.95Å; M24-L82 HydrophobicContact SD-CG 3.89Å; K78-L82 WeakPolarHBondContact O-CB 3.24Å; K78-L82 PolarHBondContact O-N 3.16Å; Q79-L82 WeakPolarHBondContact O-CB 3.24Å; Q79-L82 PolarHBondContact O-N 2.99Å; L82-F85 PolarHBondContact O-N 3.39Å; L82-R86 HydrophobicContact CD1-CG 4.3Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 VanDerWaalsContact O-CG 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.22Å
83L95.3Very high94.2Very high45 Ų4548.5 Ų48.524%0.23625%0.247CC..Hα-helixtrans-63.4-46.5177.8179.562.7000110.6Q79 W80 L81 F85 R86 C87 M102 L122Q79-L83 PolarHBondContact O-N 3.49Å; W80-L83 PolarHBondContact O-N 3.35Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.29Å; L83-F85 PolarHBondContact O-N 3.38Å; L83-R86 PolarHBondContact O-N 3.47Å; L83-C87 WeakPolarHBondContact O-CB 3.45Å; L83-C87 PolarHBondContact O-N 3.44Å; L83-C87 PolarHBondContact O-SG 2.86Å; L83-C87 VanDerWaalsContact O-SG 3.38Å; L83-M102 HydrophobicContact CB-CE 4.28Å; L83-M102 HydrophobicContact CD2-CE 4Å; L83-M102 HydrophobicContact CD2-SD 4.39Å; L83-M102 HydrophobicContact CG-CE 4.08Å; L83-M102 HydrophobicContact CG-SD 4.29Å; L83-L122 HydrophobicContact CD2-CB 4.47Å; L83-L122 HydrophobicContact CD2-CD1 3.59Å
84M96.9Very high94.1Very high0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-57.1-51176.6-176.5-86-72.300111.2I36 W80 L81 R86 C87 V88 M102 L103 V106I36-M84 HydrophobicContact CG2-CE 4.21Å; W80-M84 HydrophobicContact CE3-CB 4.33Å; W80-M84 HydrophobicContact CH2-CB 4.46Å; W80-M84 HydrophobicContact CH2-CG 4.48Å; W80-M84 HydrophobicContact CZ3-CB 3.98Å; W80-M84 HydrophobicContact CZ3-CG 4.24Å; W80-M84 PolarHBondContact O-N 3.16Å; L81-M84 HydrophobicContact CD2-CE 4Å; L81-M84 WeakPolarHBondContact O-CB 3.49Å; L81-M84 PolarHBondContact O-N 3.32Å; L81-M84 VanDerWaalsContact O-N 3.16Å; M84-R86 PolarHBondContact O-N 2.99Å; M84-C87 PolarHBondContact O-N 3.01Å; M84-C87 VanDerWaalsContact O-N 3.16Å; M84-V88 HydrophobicContact CG-CG2 4.43Å; M84-V88 WeakPolarHBondContact O-CG2 3.41Å; M84-V88 PolarHBondContact O-N 3.42Å; M84-V88 HydrophobicContact SD-CG2 3.82Å; M84-M102 HydrophobicContact CB-CB 4.02Å; M84-M102 HydrophobicContact CB-CE 3.93Å; M84-M102 HydrophobicContact CB-SD 4.34Å; M84-M102 HydrophobicContact CG-CB 3.59Å; M84-L103 HydrophobicContact CE-CD1 4.18Å; M84-L103 HydrophobicContact CG-CB 4.48Å; M84-L103 HydrophobicContact SD-CB 4.15Å; M84-L103 HydrophobicContact SD-CD1 4.09Å; M84-V106 HydrophobicContact CE-CG1 4.39Å
85F96.4Very high94Very high3 Ų360.9 Ų60.91%0.01330%0.297CS..Hα-helixtrans-57.9-46.2178.6-59.1-30.8000111.7M24 F26 M28 Q32 I36 F37 V71 L81 L82 L83 C87 V88 G89M24-F85 HydrophobicContact CE-CD2 4.27Å; M24-F85 HydrophobicContact CE-CE2 4.02Å; F26-F85 AromaticContact CE1-CD2 3.77Å; F26-F85 HydrophobicContact CE1-CD2 3.77Å; F26-F85 AromaticContact CE1-CE2 3.97Å; F26-F85 HydrophobicContact CE1-CE2 3.97Å; F26-F85 HydrophobicContact CE2-CB 4.46Å; F26-F85 HydrophobicContact CE2-CD2 4.17Å; F26-F85 HydrophobicContact CZ-CB 4.29Å; F26-F85 AromaticContact CZ-CD2 3.23Å; F26-F85 HydrophobicContact CZ-CD2 3.23Å; F26-F85 AromaticContact CZ-CE2 3.66Å; F26-F85 HydrophobicContact CZ-CE2 3.66Å; F26-F85 AromaticContact CZ-CG 3.97Å; F26-F85 HydrophobicContact CZ-CG 3.97Å; M28-F85 HydrophobicContact CE-CB 4.18Å; M28-F85 HydrophobicContact CE-CD1 4.01Å; M28-F85 HydrophobicContact CE-CD2 4.41Å; M28-F85 HydrophobicContact CE-CE1 4.44Å; M28-F85 HydrophobicContact CE-CG 3.96Å; Q32-F85 PolarHBondContact NE2-O 3.2Å; I36-F85 HydrophobicContact CD1-CD1 3.84Å; I36-F85 HydrophobicContact CD1-CE1 4.5Å; I36-F85 HydrophobicContact CG2-CD1 4.14Å; I36-F85 HydrophobicContact CG2-CE1 3.78Å; F37-F85 AromaticContact CZ-CE1 3.95Å; F37-F85 HydrophobicContact CZ-CE1 3.95Å; F37-F85 AromaticContact CZ-CZ 3.99Å; F37-F85 HydrophobicContact CZ-CZ 3.99Å; V71-F85 HydrophobicContact CG2-CE2 4.18Å; L81-F85 HydrophobicContact CB-CD2 4.44Å; L81-F85 HydrophobicContact CB-CE2 3.9Å; L81-F85 HydrophobicContact CB-CZ 4.08Å; L81-F85 HydrophobicContact CD2-CE1 4.48Å; L81-F85 HydrophobicContact CD2-CZ 4.24Å; L81-F85 WeakPolarHBondContact O-CD2 3.41Å; L81-F85 WeakPolarHBondContact O-CG 3.29Å; L81-F85 PolarHBondContact O-N 2.96Å; L82-F85 PolarHBondContact O-N 3.39Å; L83-F85 PolarHBondContact O-N 3.38Å; F85-C87 VanDerWaalsContact C-N 3.35Å; F85-C87 PolarHBondContact O-N 3.37Å; F85-V88 PolarHBondContact O-N 2.82Å; F85-G89 PolarHBondContact O-N 2.71Å
86R94.4Very high94.1Very high170 Ų17059.8 Ų59.864%0.64228%0.284SS*.Hα-helixtrans-64.2-38.4177.2-74.6176.1175.3179.4-0.2112.9L82 L83 M84 S90L82-R86 HydrophobicContact CD1-CG 4.3Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 VanDerWaalsContact O-CG 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.22Å; L83-R86 PolarHBondContact O-N 3.47Å; M84-R86 PolarHBondContact O-N 2.99Å; R86-S90 WeakPolarHBondContact O-CB 3.42Å; R86-S90 PolarHBondContact O-N 3.36Å
87C95.1Very high94.3Very high8 Ų861.1 Ų61.15%0.05430%0.298CS..Hα-helixtrans-68.9-42.7178.1-78.50000111.3L83 M84 F85 S90 R95 H96 G99L83-C87 WeakPolarHBondContact O-CB 3.45Å; L83-C87 PolarHBondContact O-N 3.44Å; L83-C87 PolarHBondContact O-SG 2.86Å; L83-C87 VanDerWaalsContact O-SG 3.38Å; M84-C87 PolarHBondContact O-N 3.01Å; M84-C87 VanDerWaalsContact O-N 3.16Å; F85-C87 VanDerWaalsContact C-N 3.35Å; F85-C87 PolarHBondContact O-N 3.37Å; C87-S90 WeakPolarHBondContact O-CB 3.35Å; C87-S90 PolarHBondContact O-N 3.38Å; C87-R95 WeakPolarHBondContact CB-O 3.49Å; C87-R95 CarbonylContact O-C 3.59Å; C87-H96 VanDerWaalsContact O-CA 3.27Å; C87-H96 WeakPolarHBondContact O-CA 3.19Å; C87-H96 PolarHBondContact O-N 3.5Å; C87-G99 VanDerWaalsContact CB-CA 3.44Å
88V96.4Very high94.3Very high5 Ų564.2 Ų64.23%0.0331%0.313CS..Hα-helixtrans-64.7-40175.9175.10000111.3Q32 L35 I36 M84 F85 S90 H96 G99 L103Q32-V88 HydrophobicContact CG-CG1 4.35Å; L35-V88 HydrophobicContact CD2-CG1 3.57Å; L35-V88 HydrophobicContact CG-CG1 4.2Å; I36-V88 HydrophobicContact CD1-CB 4.18Å; I36-V88 HydrophobicContact CD1-CG1 3.97Å; I36-V88 HydrophobicContact CG1-CB 4.36Å; I36-V88 HydrophobicContact CG1-CG1 3.84Å; M84-V88 HydrophobicContact CG-CG2 4.43Å; M84-V88 WeakPolarHBondContact O-CG2 3.41Å; M84-V88 PolarHBondContact O-N 3.42Å; M84-V88 HydrophobicContact SD-CG2 3.82Å; F85-V88 PolarHBondContact O-N 2.82Å; V88-S90 PolarHBondContact O-N 3.15Å; V88-H96 PolarHBondContact O-CD2 3.46Å; V88-H96 PolarHBondContact O-NE2 2.82Å; V88-G99 VanDerWaalsContact CG2-C 3.46Å; V88-G99 WeakPolarHBondContact CG2-O 3.39Å; V88-L103 HydrophobicContact CG2-CB 4.37Å
89G93.3Very high94.4Very high32 Ų3263.1 Ų63.133%0.3331%0.308SS..THydrogen-bonded Turntrans-78.81.7176.100000115.2F85F85-G89 PolarHBondContact O-N 2.71Å
90S93Very high94.6Very high17 Ų1761 Ų6112%0.11930%0.3CS..  trans-82.7130.5-173164.40000112.2R86 C87 V88 Y92 R95R86-S90 WeakPolarHBondContact O-CB 3.42Å; R86-S90 PolarHBondContact O-N 3.36Å; C87-S90 WeakPolarHBondContact O-CB 3.35Å; C87-S90 PolarHBondContact O-N 3.38Å; V88-S90 PolarHBondContact O-N 3.15Å; S90-Y92 PolarHBondContact O-N 3.2Å; S90-Y92 PolarHBondContact OG-N 3.01Å; S90-Y92 VanDerWaalsContact OG-N 3.09Å; S90-R95 WeakPolarHBondContact OG-CB 3.31Å
91H91.3Very high94.7Very high191 Ų19167.8 Ų67.888%0.88433%0.329SS*.SBendtrans-66.5-18.9171.3-59.6-63000114.3S93H91-S93 PolarHBondContact O-N 3.41Å
92Y93.1Very high94.7Very high142 Ų14268.6 Ų68.656%0.55733%0.334SS*.SBendtrans-73.8115.8175.7-61.6-82.5000111.3S90 K94 R95 H96S90-Y92 PolarHBondContact O-N 3.2Å; S90-Y92 PolarHBondContact OG-N 3.01Å; S90-Y92 VanDerWaalsContact OG-N 3.09Å; Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 3.4Å; Y92-K94 VanDerWaalsContact O-N 3.16Å; Y92-R95 WeakPolarHBondContact O-CB 3.37Å; Y92-R95 PolarHBondContact O-N 3.14Å; Y92-H96 PolarHBondContact O-N 3.21Å
93S91.1Very high94.8Very high96 Ų9666.9 Ų66.967%0.67132%0.324SS*.Hα-helixtrans-51.7-42.4-174.461.50000114.4H91 R95 H96 A97H91-S93 PolarHBondContact O-N 3.41Å; S93-R95 PolarHBondContact O-N 2.83Å; S93-H96 PolarHBondContact O-N 2.87Å; S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 3.09Å
94K93Very high95Very high184 Ų18470.9 Ų70.980%0.834%0.342SS*.Hα-helixtrans-63.2-41.4177.3-69.5-176.6-179.6176.30112.4Y92 Q98Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 3.4Å; Y92-K94 VanDerWaalsContact O-N 3.16Å; K94-Q98 PolarHBondContact O-N 2.76Å; K94-Q98 VanDerWaalsContact O-N 3.12Å
95R91.1Very high95Very high90 Ų9073 Ų7334%0.3435%0.35SS..Hα-helixtrans-71.7-40.4177.8-70.1-172.8-179.1-175.33.1111.3C87 S90 Y92 S93 Q98 G99 Y125C87-R95 WeakPolarHBondContact CB-O 3.49Å; C87-R95 CarbonylContact O-C 3.59Å; S90-R95 WeakPolarHBondContact OG-CB 3.31Å; Y92-R95 WeakPolarHBondContact O-CB 3.37Å; Y92-R95 PolarHBondContact O-N 3.14Å; S93-R95 PolarHBondContact O-N 2.83Å; R95-Q98 WeakPolarHBondContact O-CB 3.47Å; R95-Q98 PolarHBondContact O-N 3.04Å; R95-G99 PolarHBondContact O-N 2.89Å; R95-Y125 PolarHBondContact NH2-O 3.15Å
96H94.7Very high95.1Very high68 Ų6872.9 Ų72.932%0.31535%0.349SS..Hα-helixtrans-57.5-51.3174.2-170.7-95.3000111.3C87 V88 Y92 S93 Q98 G99 L100C87-H96 VanDerWaalsContact O-CA 3.27Å; C87-H96 WeakPolarHBondContact O-CA 3.19Å; C87-H96 PolarHBondContact O-N 3.5Å; V88-H96 PolarHBondContact O-CD2 3.46Å; V88-H96 PolarHBondContact O-NE2 2.82Å; Y92-H96 PolarHBondContact O-N 3.21Å; S93-H96 PolarHBondContact O-N 2.87Å; H96-Q98 VanDerWaalsContact C-N 3.26Å; H96-Q98 PolarHBondContact O-N 3.48Å; H96-G99 WeakPolarHBondContact O-CA 3.36Å; H96-G99 PolarHBondContact O-N 3.3Å; H96-L100 WeakPolarHBondContact O-CG 3.35Å; H96-L100 PolarHBondContact O-N 2.92Å
97A95Very high95.2Very high49 Ų4967.3 Ų67.341%0.40533%0.329SS..Hα-helixtrans-59.5-36.4177.100000112.7S93 K101S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 3.09Å; A97-K101 WeakPolarHBondContact O-CG 3.46Å; A97-K101 PolarHBondContact O-N 3.27Å
98Q94.9Very high95.3Very high65 Ų6570.9 Ų70.930%0.30435%0.354SS..Hα-helixtrans-67.2-43.3173.1-179.3175.69.400112.2K94 R95 H96 L100 K101 M102K94-Q98 PolarHBondContact O-N 2.76Å; K94-Q98 VanDerWaalsContact O-N 3.12Å; R95-Q98 WeakPolarHBondContact O-CB 3.47Å; R95-Q98 PolarHBondContact O-N 3.04Å; H96-Q98 VanDerWaalsContact C-N 3.26Å; H96-Q98 PolarHBondContact O-N 3.48Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.96Å; Q98-K101 WeakPolarHBondContact O-CB 3.44Å; Q98-K101 PolarHBondContact O-N 2.96Å; Q98-K101 VanDerWaalsContact O-N 3.14Å; Q98-M102 HydrophobicContact CG-SD 4.47Å; Q98-M102 WeakPolarHBondContact O-CG 3.27Å; Q98-M102 PolarHBondContact O-N 3.42Å
99G96.4Very high95.3Very high0 Ų075.6 Ų75.60%038%0.375CS..Hα-helixtrans-57.4-43.7176.200000111.7C87 V88 R95 H96 K101 M102 L103C87-G99 VanDerWaalsContact CB-CA 3.44Å; V88-G99 VanDerWaalsContact CG2-C 3.46Å; V88-G99 WeakPolarHBondContact CG2-O 3.39Å; R95-G99 PolarHBondContact O-N 2.89Å; H96-G99 WeakPolarHBondContact O-CA 3.36Å; H96-G99 PolarHBondContact O-N 3.3Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 2.96Å; G99-M102 PolarHBondContact O-N 2.9Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.16Å
100L97.8Very high95.5Very high68 Ų6877.3 Ų77.336%0.35638%0.38SS..Hα-helixtrans-61.4-38.9176-64.8-179.9000112.6L35 H96 Q98 L103 E104L35-L100 HydrophobicContact CD2-CD2 4.25Å; H96-L100 WeakPolarHBondContact O-CG 3.35Å; H96-L100 PolarHBondContact O-N 2.92Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.96Å; L100-L103 PolarHBondContact O-N 3.32Å; L100-E104 WeakPolarHBondContact O-CB 3.39Å; L100-E104 PolarHBondContact O-N 3.46Å
101K97.2Very high95.5Very high149 Ų14976.8 Ų76.865%0.64838%0.376SS*.Hα-helixtrans-65.6-41.5174.7-69.9178-179.2-176.10112.2A97 Q98 G99 R105A97-K101 WeakPolarHBondContact O-CG 3.46Å; A97-K101 PolarHBondContact O-N 3.27Å; Q98-K101 WeakPolarHBondContact O-CB 3.44Å; Q98-K101 PolarHBondContact O-N 2.96Å; Q98-K101 VanDerWaalsContact O-N 3.14Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 2.96Å; K101-R105 VanDerWaalsContact O-CB 3.3Å; K101-R105 WeakPolarHBondContact O-CB 3.48Å; K101-R105 PolarHBondContact O-N 3.1Å
102M97.4Very high95.5Very high18 Ų1870.7 Ų70.79%0.08935%0.352CS..Hα-helixtrans-63.5-45.5174.9-67.1178.775.600110.3W80 L83 M84 Q98 G99 E104 R105 V106W80-M102 HydrophobicContact CD2-CE 3.89Å; W80-M102 HydrophobicContact CE3-CE 4.38Å; W80-M102 HydrophobicContact CG-CE 4.36Å; W80-M102 HydrophobicContact CH2-CB 3.84Å; W80-M102 HydrophobicContact CH2-CE 4.23Å; W80-M102 VanDerWaalsContact CH2-O 3.31Å; W80-M102 WeakPolarHBondContact CH2-O 3.5Å; W80-M102 HydrophobicContact CZ2-CB 3.95Å; W80-M102 HydrophobicContact CZ2-CE 3.73Å; W80-M102 HydrophobicContact CZ2-CG 4.22Å; L83-M102 HydrophobicContact CB-CE 4.28Å; L83-M102 HydrophobicContact CD2-CE 4Å; L83-M102 HydrophobicContact CD2-SD 4.39Å; L83-M102 HydrophobicContact CG-CE 4.08Å; L83-M102 HydrophobicContact CG-SD 4.29Å; M84-M102 HydrophobicContact CB-CB 4.02Å; M84-M102 HydrophobicContact CB-CE 3.93Å; M84-M102 HydrophobicContact CB-SD 4.34Å; M84-M102 HydrophobicContact CG-CB 3.59Å; Q98-M102 HydrophobicContact CG-SD 4.47Å; Q98-M102 WeakPolarHBondContact O-CG 3.27Å; Q98-M102 PolarHBondContact O-N 3.42Å; G99-M102 PolarHBondContact O-N 2.9Å; M102-E104 PolarHBondContact O-N 3.5Å; M102-R105 WeakPolarHBondContact O-CB 3.29Å; M102-R105 PolarHBondContact O-N 2.94Å; M102-R105 VanDerWaalsContact O-N 3.15Å; M102-V106 PolarHBondContact O-N 2.96Å
103L98.2Very high95.3Very high4 Ų467 Ų672%0.02134%0.342CS..Hα-helixtrans-58.7-47.5177.2-179.560.1000112I36 I47 M84 V88 G99 L100 R105 V106 R107I36-L103 HydrophobicContact CB-CD1 4.44Å; I36-L103 HydrophobicContact CG1-CD2 4.39Å; I36-L103 HydrophobicContact CG2-CD1 4.13Å; I47-L103 HydrophobicContact CD1-CD1 4.26Å; M84-L103 HydrophobicContact CE-CD1 4.18Å; M84-L103 HydrophobicContact CG-CB 4.48Å; M84-L103 HydrophobicContact SD-CB 4.15Å; M84-L103 HydrophobicContact SD-CD1 4.09Å; V88-L103 HydrophobicContact CG2-CB 4.37Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.16Å; L100-L103 PolarHBondContact O-N 3.32Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.86Å; L103-V106 WeakPolarHBondContact O-CG1 3.36Å; L103-V106 PolarHBondContact O-N 3.05Å; L103-R107 HydrophobicContact CD1-CG 4.27Å; L103-R107 WeakPolarHBondContact O-CB 3.48Å; L103-R107 VanDerWaalsContact O-CG 3.32Å; L103-R107 WeakPolarHBondContact O-CG 3.49Å; L103-R107 PolarHBondContact O-N 2.63Å
104E98Very high95.1Very high129 Ų12968.6 Ų68.660%0.60334%0.343SS*.Hα-helixtrans-58.9-42.9174.6-176.3179.7-163.300111.6L100 M102 V106 R107 S108L100-E104 WeakPolarHBondContact O-CB 3.39Å; L100-E104 PolarHBondContact O-N 3.46Å; M102-E104 PolarHBondContact O-N 3.5Å; E104-V106 PolarHBondContact O-N 2.79Å; E104-R107 PolarHBondContact O-N 3.17Å; E104-S108 VanDerWaalsContact O-CB 3.29Å; E104-S108 WeakPolarHBondContact O-CB 3.35Å; E104-S108 PolarHBondContact O-N 3.44Å; E104-S108 PolarHBondContact O-OG 2.61Å
105R97.4Very high95Very high45 Ų4561.4 Ų61.417%0.1731%0.314CS..Hα-helixtrans-59.9-47.8179.6173.363.6-171.988.5-8.2112.4K101 M102 L103 Q109 P110 L111 D115K101-R105 VanDerWaalsContact O-CB 3.3Å; K101-R105 WeakPolarHBondContact O-CB 3.48Å; K101-R105 PolarHBondContact O-N 3.1Å; M102-R105 WeakPolarHBondContact O-CB 3.29Å; M102-R105 PolarHBondContact O-N 2.94Å; M102-R105 VanDerWaalsContact O-N 3.15Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.86Å; R105-Q109 PolarHBondContact NH1-O 3.28Å; R105-Q109 PolarHBondContact O-N 3.42Å; R105-Q109 VanDerWaalsContact O-O 3.13Å; R105-P110 PolarHBondContact NH1-O 3.02Å; R105-P110 PolarHBondContact NH2-O 2.78Å; R105-L111 HydrophobicContact CG-CD2 4.43Å; R105-D115 IonicContact CZ-OD1 3.12Å; R105-D115 IonicContact CZ-OD2 3.66Å; R105-D115 IonicContact NE-OD1 3.28Å; R105-D115 PolarHBondContact NE-OD1 2.97Å; R105-D115 IonicContact NE-OD2 2.96Å; R105-D115 PolarHBondContact NE-OD2 3.34Å; R105-D115 IonicContact NH2-OD1 2.61Å; R105-D115 IonicContact NH2-OD2 3.72Å; R105-D115 PolarHBondContact NH2-OD2 3.24Å
106V97.7Very high94.9Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-77.2-26.1-179.169.90000112.2I47 H50 W80 M84 M102 L103 E104 L111I47-V106 HydrophobicContact CG1-CG1 4.28Å; I47-V106 HydrophobicContact CG2-CG2 4.36Å; H50-V106 HydrophobicContact CB-CG2 3.97Å; H50-V106 WeakPolarHBondContact CB-O 3.18Å; H50-V106 VanDerWaalsContact CG-O 3.31Å; H50-V106 PolarHBondContact ND1-O 3.14Å; W80-V106 HydrophobicContact CH2-CB 3.76Å; W80-V106 HydrophobicContact CH2-CG1 4.1Å; W80-V106 HydrophobicContact CZ3-CB 3.81Å; W80-V106 HydrophobicContact CZ3-CG1 4.01Å; W80-V106 HydrophobicContact CZ3-CG2 4.22Å; M84-V106 HydrophobicContact CE-CG1 4.39Å; M102-V106 PolarHBondContact O-N 2.96Å; L103-V106 WeakPolarHBondContact O-CG1 3.36Å; L103-V106 PolarHBondContact O-N 3.05Å; E104-V106 PolarHBondContact O-N 2.79Å; V106-L111 HydrophobicContact CB-CD2 4.19Å; V106-L111 HydrophobicContact CG2-CD1 4.4Å; V106-L111 HydrophobicContact CG2-CD2 4.25Å; V106-L111 HydrophobicContact CG2-CG 4.17Å
107R97.8Very high94.4Very high54 Ų5457.6 Ų57.620%0.20431%0.305CS..Hα-helixtrans-71.8-34.1172.2-76.5177.1170.1175.4-8.6112.5L35 I36 Y43 I47 H50 L103 E104L35-R107 PolarHBondContact O-NH1 3.41Å; L35-R107 PolarHBondContact O-NH2 2.76Å; I36-R107 PolarHBondContact O-NE 3.19Å; I36-R107 PolarHBondContact O-NH2 2.84Å; Y43-R107 HydrophobicContact CD1-CG 4.09Å; Y43-R107 HydrophobicContact CG-CG 4.3Å; I47-R107 HydrophobicContact CD1-CG 4.3Å; I47-R107 HydrophobicContact CG1-CG 4.15Å; H50-R107 PolarHBondContact CE1-O 2.61Å; H50-R107 PolarHBondContact ND1-O 3.48Å; L103-R107 HydrophobicContact CD1-CG 4.27Å; L103-R107 WeakPolarHBondContact O-CB 3.48Å; L103-R107 VanDerWaalsContact O-CG 3.32Å; L103-R107 WeakPolarHBondContact O-CG 3.49Å; L103-R107 PolarHBondContact O-N 2.63Å; E104-R107 PolarHBondContact O-N 3.17Å
108S97.3Very high93.7Very high83 Ų8358 Ų5858%0.5831%0.309SS*.Hα-helixtrans-84.4-36.2-173.5-57.30000113.9E104E104-S108 VanDerWaalsContact O-CB 3.29Å; E104-S108 WeakPolarHBondContact O-CB 3.35Å; E104-S108 PolarHBondContact O-N 3.44Å; E104-S108 PolarHBondContact O-OG 2.61Å
109Q96.1Very high92.7Very high103 Ų10355.5 Ų55.548%0.48130%0.298SS..SBendtrans-153.9157.7-175.417.8172.210000112.7H50 R105H50-Q109 VanDerWaalsContact CG-C 3.46Å; R105-Q109 PolarHBondContact NH1-O 3.28Å; R105-Q109 PolarHBondContact O-N 3.42Å; R105-Q109 VanDerWaalsContact O-O 3.13Å
110P96.3Very high91.6Very high68 Ų6860 Ų6044%0.44232%0.321SS..PPolyproline II helixtrans-52.8143.4169.2-24.833.7000113.3H50 R105H50-P110 CarbonylContact O-C 3.55Å; H50-P110 WeakPolarHBondContact O-CA 3.27Å; R105-P110 PolarHBondContact NH1-O 3.02Å; R105-P110 PolarHBondContact NH2-O 2.78Å
111L94.3Very high89.9Confident7 Ų761.2 Ų61.24%0.03734%0.336CS..PPolyproline II helixtrans-70.1135.2173.7-63.5-178.2000109.8H50 W80 R105 V106 D115 L116H50-L111 PolarHBondContact O-N 3.46Å; W80-L111 HydrophobicContact CD2-CD1 3.67Å; W80-L111 HydrophobicContact CD2-CD2 4.24Å; W80-L111 HydrophobicContact CE3-CD1 3.59Å; W80-L111 HydrophobicContact CE3-CD2 4.35Å; W80-L111 HydrophobicContact CG-CD1 4.12Å; W80-L111 HydrophobicContact CH2-CD1 4.46Å; W80-L111 HydrophobicContact CH2-CD2 3.77Å; W80-L111 HydrophobicContact CZ2-CD2 3.62Å; W80-L111 HydrophobicContact CZ3-CD1 4.02Å; W80-L111 HydrophobicContact CZ3-CD2 4.14Å; R105-L111 HydrophobicContact CG-CD2 4.43Å; V106-L111 HydrophobicContact CB-CD2 4.19Å; V106-L111 HydrophobicContact CG2-CD1 4.4Å; V106-L111 HydrophobicContact CG2-CD2 4.25Å; V106-L111 HydrophobicContact CG2-CG 4.17Å; L111-D115 HydrophobicContact CD2-CB 4.15Å; L111-L116 HydrophobicContact CD1-CD2 4.13Å
112T91.7Very high88.3Confident62 Ų6257.1 Ų57.138%0.3832%0.32SS..PPolyproline II helixtrans-96.7166.9172.271.80000110.2D114 D115 L116T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.76Å; T112-D115 PolarHBondContact N-OD2 2.98Å; T112-D115 PolarHBondContact O-N 2.96Å; T112-D115 VanDerWaalsContact O-N 3.17Å; T112-D115 PolarHBondContact OG1-N 3Å; T112-D115 PolarHBondContact OG1-OD2 3.29Å; T112-L116 WeakPolarHBondContact O-CG 3.23Å; T112-L116 PolarHBondContact O-N 3.12Å; T112-L116 VanDerWaalsContact O-N 3.15Å
113N87.8Confident86.3Confident64 Ų6460.6 Ų60.634%0.34235%0.345SS..Hα-helixtrans-58.7-30.5171.9-69.5-34.7000111.9A7 L8 L116 V117A7-N113 WeakPolarHBondContact CA-OD1 3.48Å; L8-N113 PolarHBondContact N-OD1 3.01Å; N113-L116 PolarHBondContact O-N 3.15Å; N113-V117 WeakPolarHBondContact O-CB 3.3Å; N113-V117 VanDerWaalsContact O-CG2 3.29Å; N113-V117 WeakPolarHBondContact O-CG2 3.48Å; N113-V117 PolarHBondContact O-N 3.45Å
114D88.1Confident83.9Confident130 Ų13066.6 Ų66.670%0.69538%0.383SS*.Hα-helixtrans-67.3-41.3177.1-62.5-26.6000111.6T112 L116 V117 A118T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.76Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.17Å; D114-V117 PolarHBondContact O-N 2.88Å; D114-A118 VanDerWaalsContact O-CB 3.23Å; D114-A118 WeakPolarHBondContact O-CB 3.45Å; D114-A118 PolarHBondContact O-N 3.33Å
115D89.9Confident81.7Confident34 Ų3467.8 Ų67.818%0.18238%0.383CS..Hα-helixtrans-61.6-41.7174.9-59.4-63.8000111W80 R105 L111 T112 S119W80-D115 PolarHBondContact NE1-O 3.49Å; W80-D115 VanDerWaalsContact NE1-O 3.14Å; R105-D115 IonicContact CZ-OD1 3.12Å; R105-D115 IonicContact CZ-OD2 3.66Å; R105-D115 IonicContact NE-OD1 3.28Å; R105-D115 PolarHBondContact NE-OD1 2.97Å; R105-D115 IonicContact NE-OD2 2.96Å; R105-D115 PolarHBondContact NE-OD2 3.34Å; R105-D115 IonicContact NH2-OD1 2.61Å; R105-D115 IonicContact NH2-OD2 3.72Å; R105-D115 PolarHBondContact NH2-OD2 3.24Å; L111-D115 HydrophobicContact CD2-CB 4.15Å; T112-D115 PolarHBondContact N-OD2 2.98Å; T112-D115 PolarHBondContact O-N 2.96Å; T112-D115 VanDerWaalsContact O-N 3.17Å; T112-D115 PolarHBondContact OG1-N 3Å; T112-D115 PolarHBondContact OG1-OD2 3.29Å; D115-S119 PolarHBondContact O-N 3.24Å
116L89Confident79.4Confident1 Ų171.5 Ų71.51%0.00541%0.412CS..Hα-helixtrans-65.2-47.2180-67.3173.9000111.3L8 I76 A77 W80 L111 T112 N113 D114 S119L8-L116 HydrophobicContact CD1-CD1 4.43Å; L8-L116 HydrophobicContact CG-CD1 4.25Å; I76-L116 HydrophobicContact CD1-CB 3.78Å; I76-L116 HydrophobicContact CG1-CB 3.97Å; I76-L116 HydrophobicContact CG1-CD2 4.41Å; I76-L116 HydrophobicContact CG2-CD1 3.9Å; I76-L116 HydrophobicContact CG2-CD2 4.46Å; A77-L116 HydrophobicContact CB-CD2 4.48Å; W80-L116 HydrophobicContact CB-CD2 3.77Å; W80-L116 HydrophobicContact CG-CD2 4.03Å; L111-L116 HydrophobicContact CD1-CD2 4.13Å; T112-L116 WeakPolarHBondContact O-CG 3.23Å; T112-L116 PolarHBondContact O-N 3.12Å; T112-L116 VanDerWaalsContact O-N 3.15Å; N113-L116 PolarHBondContact O-N 3.15Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.17Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 PolarHBondContact O-OG 3.34Å
117V84.6Confident76.9Confident76 Ų7674 Ų7446%0.46144%0.437SS..Hα-helixtrans-68.7-41.4179.5172.70000111.8N113 D114 S119 I120 S121N113-V117 WeakPolarHBondContact O-CB 3.3Å; N113-V117 VanDerWaalsContact O-CG2 3.29Å; N113-V117 WeakPolarHBondContact O-CG2 3.48Å; N113-V117 PolarHBondContact O-N 3.45Å; D114-V117 PolarHBondContact O-N 2.88Å; V117-S119 PolarHBondContact O-N 3.43Å; V117-S119 VanDerWaalsContact O-N 3.15Å; V117-I120 WeakPolarHBondContact O-CB 3.29Å; V117-I120 PolarHBondContact O-N 3.31Å; V117-S121 PolarHBondContact O-N 3.35Å
118A79.3Confident74Confident59 Ų5981.7 Ų81.749%0.48848%0.482SS..Hα-helixtrans-57.4-31.4176.800000112.1D114 I120 S121D114-A118 VanDerWaalsContact O-CB 3.23Å; D114-A118 WeakPolarHBondContact O-CB 3.45Å; D114-A118 PolarHBondContact O-N 3.33Å; A118-I120 VanDerWaalsContact C-N 3.33Å; A118-I120 PolarHBondContact O-N 3.32Å; A118-S121 PolarHBondContact O-N 3.49Å
119S75.4Confident72.9Confident12 Ų1281.6 Ų81.68%0.08448%0.477CS..Hα-helixtrans-69.4-28.3177.178.10000114.1D115 L116 V117D115-S119 PolarHBondContact O-N 3.24Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 PolarHBondContact O-OG 3.34Å; V117-S119 PolarHBondContact O-N 3.43Å; V117-S119 VanDerWaalsContact O-N 3.15Å
120I71.7Confident71.6Confident94 Ų9480.5 Ų80.548%0.48248%0.477SS..Hα-helixtrans-76.5-33.5178.9-60.3169.6000110.6I76 V117 A118 L122I76-I120 HydrophobicContact CD1-CD1 3.78Å; I76-I120 HydrophobicContact CG1-CD1 4.17Å; V117-I120 WeakPolarHBondContact O-CB 3.29Å; V117-I120 PolarHBondContact O-N 3.31Å; A118-I120 VanDerWaalsContact C-N 3.33Å; A118-I120 PolarHBondContact O-N 3.32Å; I120-L122 PolarHBondContact O-N 3.46Å
121S63.1Low70.3Confident94 Ų9481.2 Ų81.266%0.65748%0.479SS*.THydrogen-bonded Turntrans-75.9-5.7178.9-57.30000113.9V117 A118 P123V117-S121 PolarHBondContact O-N 3.35Å; A118-S121 PolarHBondContact O-N 3.49Å; S121-P123 VanDerWaalsContact O-CD 3.29Å; S121-P123 WeakPolarHBondContact O-CD 3.29Å
122L63.3Low68.9Low62 Ų6285.5 Ų85.533%0.32551%0.505SS..SBendtrans-72.2115.1173.3-78.5158.6000108.9L83 I120L83-L122 HydrophobicContact CD2-CB 4.47Å; L83-L122 HydrophobicContact CD2-CD1 3.59Å; I120-L122 PolarHBondContact O-N 3.46Å
123P55.1Low67.4Low92 Ų9287 Ų8760%0.59751%0.513SS*.  trans-61.8143.8-179.824.5-31.9000109.7S121 Y125S121-P123 VanDerWaalsContact O-CD 3.29Å; S121-P123 WeakPolarHBondContact O-CD 3.29Å; P123-Y125 PolarHBondContact O-N 2.99Å
124P48.8Very low66.1Low129 Ų12988.5 Ų88.584%0.83852%0.524SS*.  trans-64.195.7162.127.3-29.8000106.2T126P124-T126 PolarHBondContact O-N 2.82Å
125Y51Low64.5Low154 Ų15485.6 Ų85.660%0.60451%0.512SS*.  trans-67.2106.7-179.5-157.7-78.8000107.4R95 P123 G127R95-Y125 PolarHBondContact NH2-O 3.15Å; P123-Y125 PolarHBondContact O-N 2.99Å; Y125-G127 PolarHBondContact O-N 2.93Å
126T48.8Very low62.5Low124 Ų12489.5 Ų89.576%0.76154%0.537SS*.  trans-61.7109.5162.142.50000105.9P124 D128P124-T126 PolarHBondContact O-N 2.82Å; T126-D128 PolarHBondContact O-N 3.15Å
127G44.5Very low60.3Low51 Ų5196.9 Ų96.953%0.52658%0.581SS.*  trans-59.3134177.900000110.2Y125Y125-G127 PolarHBondContact O-N 2.93Å
128D38.4Very low58.1Low216 Ų21698.8 Ų98.8100%1.15559%0.592SS**  trans-85.20148.7-70.9-28.9000108T126T126-D128 PolarHBondContact O-N 3.15Å

Retrieved 128 of 128 residues in 188 ms (Link to these results)

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