A0A087WYF0_HUMAN Loading...

Zinc finger CCHC domain-containing protein 17

AlphaFold DB , UniProt , Accession A0A087WYF0, Species HUMAN (Homo sapiens, Human), Gene ZCCHC17, Length 160 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
1M53.7Low67.6Low146 Ų14688.5 Ų88.572%0.71942%0.422SS*.  0-32.10-77.8161.6-169.100113.8Q3 L4 R66M1-Q3 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact CG-CD1 4.47Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-R66 VanDerWaalsContact SD-CZ 3.54Å; M1-R66 PolarHBondContact SD-NH1 3.48Å; M1-R66 PolarHBondContact SD-NH2 3.45Å
2K57.6Low69.5Low175 Ų17589.4 Ų89.476%0.76142%0.422SS*.Hα-helixtrans-53.9-39.2166.4-74.4-173.8175.7-176.50112.3L4 I5 E6K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.25Å; K2-I5 PolarHBondContact O-N 3.16Å; K2-I5 VanDerWaalsContact O-N 3.08Å; K2-E6 PolarHBondContact O-N 3.42Å; K2-E6 VanDerWaalsContact O-N 3.16Å
3Q59.5Low71.3Confident116 Ų11682.7 Ų82.754%0.54239%0.391SS..Hα-helixtrans-51.7-42.9174.8-158.862.652.400113.8M1 I5 E6 D7M1-Q3 PolarHBondContact O-N 3.44Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 3.12Å; Q3-E6 PolarHBondContact O-N 3.22Å; Q3-D7 PolarHBondContact NE2-OD1 3.19Å; Q3-D7 WeakPolarHBondContact O-CB 3.48Å; Q3-D7 PolarHBondContact O-N 2.84Å
4L65Low72.9Confident45 Ų4584.8 Ų84.824%0.23639%0.394CS..Hα-helixtrans-64.9-32.7-179.3-77.7158.2000113.3M1 K2 T8 I27 C30M1-L4 HydrophobicContact CG-CD1 4.47Å; M1-L4 PolarHBondContact O-N 2.8Å; K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.25Å; L4-T8 WeakPolarHBondContact O-CG2 3.38Å; L4-T8 PolarHBondContact O-N 3.33Å; L4-T8 PolarHBondContact O-OG1 3.35Å; L4-I27 HydrophobicContact CD2-CG2 3.61Å; L4-C30 HydrophobicContact CD2-CB 3.71Å
5I68.8Low74.5Confident67 Ų6779.3 Ų79.334%0.34437%0.369SS..Hα-helixtrans-71.9-49.9177.5-64.6171.1000108.5K2 Q3 D7 T8 E9 L63K2-I5 PolarHBondContact O-N 3.16Å; K2-I5 VanDerWaalsContact O-N 3.08Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 3.12Å; I5-D7 VanDerWaalsContact C-N 3.31Å; I5-D7 PolarHBondContact O-N 2.82Å; I5-T8 PolarHBondContact O-N 2.85Å; I5-T8 PolarHBondContact O-OG1 3.42Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; I5-E9 WeakPolarHBondContact O-CG 3.43Å; I5-E9 PolarHBondContact O-N 3.46Å; I5-L63 HydrophobicContact CD1-CD2 4.07Å; I5-L63 HydrophobicContact CG1-CD2 3.57Å
6E65.5Low75.8Confident82 Ų8276.6 Ų76.638%0.38337%0.365SS..Hα-helixtrans-60.7-40.3177.5-73.4-171-156.900112.6K2 Q3 T8 E9 K10K2-E6 PolarHBondContact O-N 3.42Å; K2-E6 VanDerWaalsContact O-N 3.16Å; Q3-E6 PolarHBondContact O-N 3.22Å; E6-T8 VanDerWaalsContact C-N 3.32Å; E6-T8 PolarHBondContact O-N 2.89Å; E6-E9 PolarHBondContact O-N 3.24Å; E6-K10 HydrophobicContact CB-CD 4.38Å; E6-K10 WeakPolarHBondContact O-CB 3.44Å; E6-K10 VanDerWaalsContact O-CG 3.25Å; E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 3.31Å; E6-K10 IonicContact OE2-NZ 3.36Å; E6-K10 PolarHBondContact OE2-NZ 3.23Å
7D70.6Confident76.9Confident38 Ų3877.3 Ų77.320%0.20337%0.369CS..Hα-helixtrans-67.6-33.5-178.3-65.1-17.2000112Q3 I5 N11 P28Q3-D7 PolarHBondContact NE2-OD1 3.19Å; Q3-D7 WeakPolarHBondContact O-CB 3.48Å; Q3-D7 PolarHBondContact O-N 2.84Å; I5-D7 VanDerWaalsContact C-N 3.31Å; I5-D7 PolarHBondContact O-N 2.82Å; D7-N11 PolarHBondContact O-N 3.22Å; D7-P28 HydrophobicContact CB-CG 4.42Å
8T72.1Confident77.9Confident3 Ų374.6 Ų74.62%0.01836%0.358CS..Hα-helixtrans-80.1-29.8177.747.10000113L4 I5 E6 V13 I27 V61L4-T8 WeakPolarHBondContact O-CG2 3.38Å; L4-T8 PolarHBondContact O-N 3.33Å; L4-T8 PolarHBondContact O-OG1 3.35Å; I5-T8 PolarHBondContact O-N 2.85Å; I5-T8 PolarHBondContact O-OG1 3.42Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; E6-T8 VanDerWaalsContact C-N 3.32Å; E6-T8 PolarHBondContact O-N 2.89Å; T8-V13 HydrophobicContact CG2-CG1 4.44Å; T8-I27 HydrophobicContact CG2-CG1 4.29Å; T8-I27 HydrophobicContact CG2-CG2 3.71Å; T8-V61 HydrophobicContact CG2-CG2 4.38Å; T8-V61 VanDerWaalsContact O-O 3.1Å
9E71.9Confident78.8Confident82 Ų8272.1 Ų72.138%0.38335%0.348SS..Hα-helixtrans-82-27.9177.2-70.3177.3174.300112.8I5 E6 W60I5-E9 WeakPolarHBondContact O-CG 3.43Å; I5-E9 PolarHBondContact O-N 3.46Å; E6-E9 PolarHBondContact O-N 3.24Å; E9-W60 WeakPolarHBondContact O-CZ3 3.35Å
10K72.9Confident79.4Confident129 Ų12975.2 Ų75.256%0.56137%0.366SS*.Hα-helixtrans-95.5-18.6-177.1-67.2173.1-179.4171.30114.5E6 W60E6-K10 HydrophobicContact CB-CD 4.38Å; E6-K10 WeakPolarHBondContact O-CB 3.44Å; E6-K10 VanDerWaalsContact O-CG 3.25Å; E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 3.31Å; E6-K10 IonicContact OE2-NZ 3.36Å; E6-K10 PolarHBondContact OE2-NZ 3.23Å; K10-W60 WeakPolarHBondContact O-CH2 3.44Å; K10-W60 WeakPolarHBondContact O-CZ3 3.46Å
11N86Confident79.9Confident91 Ų9176.7 Ų76.749%0.48737%0.369SS..SBendtrans-131148.4-178.3-66.2-54.8000113.6D7 W60D7-N11 PolarHBondContact O-N 3.22Å; N11-W60 VanDerWaalsContact C-CZ3 3.44Å
12K89.9Confident81.8Confident99 Ų9969.7 Ų69.743%0.4333%0.334SS..  trans-64.7141.1165.8-67.2-172.3176.5-173.30110.3K58 V59 W60K12-K58 HydrophobicContact CB-CB 4.07Å; K12-K58 HydrophobicContact CD-CB 3.95Å; K12-V59 WeakPolarHBondContact CA-O 3.44Å; K12-W60 HydrophobicContact CG-CD2 3.84Å; K12-W60 VanDerWaalsContact CG-CE2 3.41Å; K12-W60 HydrophobicContact CG-CG 4.17Å; K12-W60 HydrophobicContact CG-CH2 4.43Å; K12-W60 HydrophobicContact CG-CZ2 3.73Å
13V93.1Very high83.7Confident2 Ų261.4 Ų61.41%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-119.4157.5179.3-70.70000110.7T8 I25 K58 V59 V61T8-V13 HydrophobicContact CG2-CG1 4.44Å; V13-I25 HydrophobicContact CB-CG2 3.69Å; V13-I25 HydrophobicContact CG2-CG2 3.24Å; V13-K58 WeakPolarHBondContact O-CA 3.23Å; V13-V59 HydrophobicContact CG2-CG2 4.4Å; V13-V59 VanDerWaalsContact CG2-O 3.31Å; V13-V59 WeakPolarHBondContact CG2-O 3.45Å; V13-V59 PolarHBondContact N-O 3.42Å; V13-V59 PolarHBondContact O-N 3.24Å; V13-V61 HydrophobicContact CG2-CB 4.39Å; V13-V61 HydrophobicContact CG2-CG1 4.04Å; V13-V61 HydrophobicContact CG2-CG2 3.51Å
14Y94.6Very high85.4Confident112 Ų11257.5 Ų57.544%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-95137.9-173.4-63.2-89.5000112.2A16 I25 K26 G56 D57 K58Y14-A16 PolarHBondContact O-N 2.84Å; Y14-I25 WeakPolarHBondContact O-CA 3.16Å; Y14-K26 PolarHBondContact O-N 3.45Å; Y14-G56 WeakPolarHBondContact CD1-O 3.35Å; Y14-D57 CarbonylContact C-O 3.55Å; Y14-D57 VanDerWaalsContact CA-O 3.28Å; Y14-D57 WeakPolarHBondContact CA-O 3.4Å; Y14-K58 HydrophobicContact CD1-CG 3.77Å; Y14-K58 HydrophobicContact CE1-CD 3.99Å; Y14-K58 HydrophobicContact CE1-CG 3.48Å; Y14-K58 VanDerWaalsContact CE1-CG 3.48Å; Y14-K58 WeakPolarHBondContact OH-CE 3.42Å; Y14-K58 PolarHBondContact OH-NZ 3.34Å
15V96Very high86.8Confident3 Ų355.3 Ų55.32%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-72122.7167.2-178.10000108.9V18 A23 I25 V53 D54 G56 D57 V59V15-V18 HydrophobicContact CG1-CG2 3.74Å; V15-A23 HydrophobicContact CG1-CB 4.39Å; V15-I25 HydrophobicContact CB-CD1 4.3Å; V15-I25 HydrophobicContact CG2-CD1 3.72Å; V15-V53 HydrophobicContact CG1-CG2 4.42Å; V15-V53 HydrophobicContact CG2-CB 4.16Å; V15-V53 HydrophobicContact CG2-CG2 4.34Å; V15-D54 VanDerWaalsContact CB-O 3.29Å; V15-D54 WeakPolarHBondContact CB-O 3.12Å; V15-D54 WeakPolarHBondContact CG1-O 3.5Å; V15-G56 PolarHBondContact O-N 2.89Å; V15-D57 HydrophobicContact CG2-CB 4.03Å; V15-D57 PolarHBondContact N-O 3.29Å; V15-V59 HydrophobicContact CG2-CG1 4.39Å; V15-V59 HydrophobicContact CG2-CG2 4.06Å
16A95.1Very high87.9Confident36 Ų3658.8 Ų58.830%0.29828%0.281SS..EExtended strand (participates in β ladder)trans-95.1-36.1179.700000112.6Y14 F24 K26 V55Y14-A16 PolarHBondContact O-N 2.84Å; A16-F24 PolarHBondContact N-O 2.86Å; A16-K26 HydrophobicContact CB-CB 4.46Å; A16-V55 WeakPolarHBondContact O-CG1 3.29Å
17M95.1Very high89Confident88 Ų8855.3 Ų55.343%0.43327%0.265SS..EExtended strand (participates in β ladder)trans-156.4145.3-179.5-173.5171.971.100110T19 A23 F24M17-T19 HydrophobicContact CE-CG2 3.74Å; M17-T19 HydrophobicContact CG-CG2 4.31Å; M17-T19 HydrophobicContact SD-CG2 4.46Å; M17-A23 CarbonylContact O-C 3.56Å; M17-A23 WeakPolarHBondContact O-CA 3.43Å; M17-F24 HydrophobicContact CB-CB 4.23Å; M17-F24 HydrophobicContact CB-CD2 4.28Å; M17-F24 HydrophobicContact CE-CD2 3.47Å; M17-F24 VanDerWaalsContact CE-CD2 3.47Å; M17-F24 HydrophobicContact CE-CE2 3.52Å; M17-F24 HydrophobicContact CE-CG 4.38Å; M17-F24 HydrophobicContact CE-CZ 4.47Å; M17-F24 PolarHBondContact N-O 3.29Å; M17-F24 PolarHBondContact O-N 3.04Å
18V95.5Very high89.6Confident28 Ų2856.4 Ų56.417%0.1727%0.274CS..EExtended strand (participates in β ladder)trans-115.3139.1173.8-173.80000108.8V15 P49 V53 V55V15-V18 HydrophobicContact CG1-CG2 3.74Å; V18-P49 HydrophobicContact CG1-CB 3.85Å; V18-V53 HydrophobicContact CG2-CG2 4.05Å; V18-V55 HydrophobicContact CG2-CG2 4.19Å
19T94.3Very high90Very high28 Ų2860.1 Ų60.117%0.17231%0.313CS..EExtended strand (participates in β ladder)trans-139.2165.1-179.4630000109.6M17 Y21 G22 F24 P49M17-T19 HydrophobicContact CE-CG2 3.74Å; M17-T19 HydrophobicContact CG-CG2 4.31Å; M17-T19 HydrophobicContact SD-CG2 4.46Å; T19-Y21 HydrophobicContact CG2-CE1 4.08Å; T19-Y21 PolarHBondContact O-N 3.01Å; T19-Y21 VanDerWaalsContact O-N 3.12Å; T19-Y21 WeakPolarHBondContact OG1-CD1 3.28Å; T19-Y21 VanDerWaalsContact OG1-CE1 3.24Å; T19-Y21 WeakPolarHBondContact OG1-CE1 3.49Å; T19-G22 CarbonylContact C-O 3.58Å; T19-G22 WeakPolarHBondContact CA-O 3.4Å; T19-G22 PolarHBondContact N-O 3.39Å; T19-G22 PolarHBondContact O-N 3.44Å; T19-G22 PolarHBondContact OG1-N 3.34Å; T19-G22 PolarHBondContact OG1-O 3.12Å; T19-F24 HydrophobicContact CG2-CD2 4.39Å; T19-F24 HydrophobicContact CG2-CE2 4.11Å; T19-P49 WeakPolarHBondContact O-CB 3.46Å; T19-P49 VanDerWaalsContact O-CG 3.3Å; T19-P49 WeakPolarHBondContact O-CG 3.07Å
20D91.7Very high90.3Very high134 Ų13457.9 Ų57.972%0.71731%0.306SS*.THydrogen-bonded Turntrans-60.9-25.8-178.5-60.3-33.2000114.2
21Y89.9Confident90.7Very high106 Ų10663.9 Ų63.942%0.41633%0.325SS..THydrogen-bonded Turntrans-92.2-11.6178.764.2-92000113.6T19 F24 L35 H37 R38T19-Y21 HydrophobicContact CG2-CE1 4.08Å; T19-Y21 PolarHBondContact O-N 3.01Å; T19-Y21 VanDerWaalsContact O-N 3.12Å; T19-Y21 WeakPolarHBondContact OG1-CD1 3.28Å; T19-Y21 VanDerWaalsContact OG1-CE1 3.24Å; T19-Y21 WeakPolarHBondContact OG1-CE1 3.49Å; Y21-F24 HydrophobicContact CE2-CE2 4.15Å; Y21-F24 HydrophobicContact CE2-CZ 4.18Å; Y21-F24 AromaticContact CZ-CE2 3.82Å; Y21-F24 AromaticContact CZ-CZ 3.99Å; Y21-F24 WeakPolarHBondContact OH-CE2 3.4Å; Y21-F24 WeakPolarHBondContact OH-CZ 3.3Å; Y21-L35 HydrophobicContact CD2-CD1 4.08Å; Y21-L35 HydrophobicContact CD2-CD2 4.23Å; Y21-L35 HydrophobicContact CE2-CD1 3.56Å; Y21-L35 HydrophobicContact CE2-CD2 3.84Å; Y21-L35 HydrophobicContact CE2-CG 4.35Å; Y21-H37 PolarHBondContact O-CD2 2.85Å; Y21-H37 VanDerWaalsContact O-CD2 3.23Å; Y21-R38 PolarHBondContact O-N 3.41Å
22G93.8Very high90.7Very high0 Ų065.2 Ų65.20%033%0.326CS..EExtended strand (participates in β ladder)trans157.6-166.9-178.300000115T19 V36T19-G22 CarbonylContact C-O 3.58Å; T19-G22 WeakPolarHBondContact CA-O 3.4Å; T19-G22 PolarHBondContact N-O 3.39Å; T19-G22 PolarHBondContact O-N 3.44Å; T19-G22 PolarHBondContact OG1-N 3.34Å; T19-G22 PolarHBondContact OG1-O 3.12Å; G22-V36 CarbonylContact C-O 3.53Å; G22-V36 WeakPolarHBondContact CA-O 2.93Å
23A96Very high90.8Very high0 Ų065.1 Ų65.10%033%0.327CS..EExtended strand (participates in β ladder)trans-121.3138.3-177.500000112V15 M17 I25 V36 M41 V53V15-A23 HydrophobicContact CG1-CB 4.39Å; M17-A23 CarbonylContact O-C 3.56Å; M17-A23 WeakPolarHBondContact O-CA 3.43Å; A23-I25 HydrophobicContact CB-CD1 4.43Å; A23-V36 PolarHBondContact N-O 3.47Å; A23-V36 PolarHBondContact O-N 3.45Å; A23-M41 HydrophobicContact CB-CE 4.01Å; A23-V53 HydrophobicContact CB-CG2 3.99Å
24F95.8Very high90.8Very high34 Ų3465 Ų6515%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-91.4128.9172.8-73.2-86.8000110.5A16 M17 T19 Y21 Q33 G34 L35A16-F24 PolarHBondContact N-O 2.86Å; M17-F24 HydrophobicContact CB-CB 4.23Å; M17-F24 HydrophobicContact CB-CD2 4.28Å; M17-F24 HydrophobicContact CE-CD2 3.47Å; M17-F24 VanDerWaalsContact CE-CD2 3.47Å; M17-F24 HydrophobicContact CE-CE2 3.52Å; M17-F24 HydrophobicContact CE-CG 4.38Å; M17-F24 HydrophobicContact CE-CZ 4.47Å; M17-F24 PolarHBondContact N-O 3.29Å; M17-F24 PolarHBondContact O-N 3.04Å; T19-F24 HydrophobicContact CG2-CD2 4.39Å; T19-F24 HydrophobicContact CG2-CE2 4.11Å; Y21-F24 HydrophobicContact CE2-CE2 4.15Å; Y21-F24 HydrophobicContact CE2-CZ 4.18Å; Y21-F24 AromaticContact CZ-CE2 3.82Å; Y21-F24 AromaticContact CZ-CZ 3.99Å; Y21-F24 WeakPolarHBondContact OH-CE2 3.4Å; Y21-F24 WeakPolarHBondContact OH-CZ 3.3Å; F24-Q33 HydrophobicContact CB-CB 4.45Å; F24-Q33 HydrophobicContact CD1-CB 4.1Å; F24-G34 CarbonylContact C-O 3.56Å; F24-G34 WeakPolarHBondContact CA-O 3.49Å; F24-L35 HydrophobicContact CD1-CD1 4.29Å; F24-L35 HydrophobicContact CD2-CD1 4.31Å; F24-L35 HydrophobicContact CE1-CB 4.35Å; F24-L35 HydrophobicContact CE1-CD1 4.04Å; F24-L35 HydrophobicContact CE2-CD1 4.06Å; F24-L35 HydrophobicContact CG-CD1 4.44Å; F24-L35 HydrophobicContact CZ-CD1 3.93Å
25I94.7Very high90.8Very high0 Ų061.5 Ų61.50%032%0.315CS..EExtended strand (participates in β ladder)trans-113.9130.6-174.9-53.1-58.6000109.1V13 Y14 V15 A23 I27 G34 V36 V59 V61 L77V13-I25 HydrophobicContact CB-CG2 3.69Å; V13-I25 HydrophobicContact CG2-CG2 3.24Å; Y14-I25 WeakPolarHBondContact O-CA 3.16Å; V15-I25 HydrophobicContact CB-CD1 4.3Å; V15-I25 HydrophobicContact CG2-CD1 3.72Å; A23-I25 HydrophobicContact CB-CD1 4.43Å; I25-I27 PolarHBondContact O-N 2.79Å; I25-G34 PolarHBondContact N-O 3.23Å; I25-G34 PolarHBondContact O-N 2.77Å; I25-V36 HydrophobicContact CD1-CG2 4.36Å; I25-V36 HydrophobicContact CG1-CG2 3.66Å; I25-V59 HydrophobicContact CD1-CG2 4Å; I25-V61 HydrophobicContact CG1-CG1 4.42Å; I25-L77 HydrophobicContact CB-CD1 3.75Å; I25-L77 HydrophobicContact CG1-CD1 4.06Å; I25-L77 HydrophobicContact CG2-CD1 4.17Å
26K92.4Very high90.8Very high139 Ų13961.3 Ų61.360%0.60431%0.314SS*.EExtended strand (participates in β ladder)trans-79.4109.8174.7-171.9176.2-179179.80108.9Y14 A16Y14-K26 PolarHBondContact O-N 3.45Å; A16-K26 HydrophobicContact CB-CB 4.46Å
27I86.8Confident90.7Very high9 Ų963.1 Ų63.15%0.04632%0.316CS..  trans-90.8122.1177.3-58.1165.2000108.2L4 T8 I25 C30 V75 L77L4-I27 HydrophobicContact CD2-CG2 3.61Å; T8-I27 HydrophobicContact CG2-CG1 4.29Å; T8-I27 HydrophobicContact CG2-CG2 3.71Å; I25-I27 PolarHBondContact O-N 2.79Å; I27-C30 HydrophobicContact CB-CB 3.91Å; I27-C30 HydrophobicContact CG2-CB 4.01Å; I27-C30 PolarHBondContact O-N 2.85Å; I27-V75 HydrophobicContact CD1-CB 4.4Å; I27-V75 HydrophobicContact CD1-CG1 3.74Å; I27-L77 HydrophobicContact CD1-CD1 4.09Å; I27-L77 HydrophobicContact CD1-CD2 4.39Å; I27-L77 HydrophobicContact CG1-CD1 4.26Å
28P83.5Confident90.6Very high62 Ų6264.7 Ų64.740%0.40332%0.318SS..THydrogen-bonded Turntrans-60.9138.817426.5-33.3000110.1D7 C30D7-P28 HydrophobicContact CB-CG 4.42Å; P28-C30 PolarHBondContact O-N 2.78Å
29G80.3Confident90.3Very high81 Ų8165.4 Ų65.484%0.83532%0.322SS*.THydrogen-bonded Turntrans75.5-0.6-178.700000115.7
30C79.8Confident90.2Very high34 Ų3465.3 Ų65.323%0.2332%0.32CS..  trans-106.2133.9172.1-154.10000111.6L4 I27 P28 K32L4-C30 HydrophobicContact CD2-CB 3.71Å; I27-C30 HydrophobicContact CB-CB 3.91Å; I27-C30 HydrophobicContact CG2-CB 4.01Å; I27-C30 PolarHBondContact O-N 2.85Å; P28-C30 PolarHBondContact O-N 2.78Å; C30-K32 WeakPolarHBondContact CB-O 3.24Å; C30-K32 PolarHBondContact O-N 2.9Å; C30-K32 PolarHBondContact SG-O 2.88Å
31R80.8Confident90.3Very high256 Ų25659.3 Ų59.397%0.96629%0.287SS*.SBendtrans-71.5-17.3171.6-67.1-177.973.2-174.24.1113
32K86.6Confident90.3Very high118 Ų11856.2 Ų56.251%0.51328%0.281SS..SBendtrans-114.5147.3-178.6-66.6-67.5-174.4179.90110C30 I73C30-K32 WeakPolarHBondContact CB-O 3.24Å; C30-K32 PolarHBondContact O-N 2.9Å; C30-K32 PolarHBondContact SG-O 2.88Å; K32-I73 HydrophobicContact CG-CB 4.44Å
33Q91.2Very high89.9Confident97 Ų9761.1 Ų61.145%0.45332%0.315SS..  trans-78146.1175-65.6172.6-8.600110.4F24F24-Q33 HydrophobicContact CB-CB 4.45Å; F24-Q33 HydrophobicContact CD1-CB 4.1Å
34G92.6Very high89.4Confident0 Ų065.6 Ų65.60%035%0.346CS..EExtended strand (participates in β ladder)trans-85.9148.9169.500000111.1F24 I25F24-G34 CarbonylContact C-O 3.56Å; F24-G34 WeakPolarHBondContact CA-O 3.49Å; I25-G34 PolarHBondContact N-O 3.23Å; I25-G34 PolarHBondContact O-N 2.77Å
35L95Very high88.8Confident38 Ų3874.5 Ų74.520%0.19938%0.378CS..EExtended strand (participates in β ladder)trans-108.8125.9176.317866.8000110.1Y21 F24 V75 L77Y21-L35 HydrophobicContact CD2-CD1 4.08Å; Y21-L35 HydrophobicContact CD2-CD2 4.23Å; Y21-L35 HydrophobicContact CE2-CD1 3.56Å; Y21-L35 HydrophobicContact CE2-CD2 3.84Å; Y21-L35 HydrophobicContact CE2-CG 4.35Å; F24-L35 HydrophobicContact CD1-CD1 4.29Å; F24-L35 HydrophobicContact CD2-CD1 4.31Å; F24-L35 HydrophobicContact CE1-CB 4.35Å; F24-L35 HydrophobicContact CE1-CD1 4.04Å; F24-L35 HydrophobicContact CE2-CD1 4.06Å; F24-L35 HydrophobicContact CG-CD1 4.44Å; F24-L35 HydrophobicContact CZ-CD1 3.93Å; L35-V75 PolarHBondContact N-O 2.84Å; L35-L77 PolarHBondContact O-N 2.8Å
36V95.3Very high88.3Confident0 Ų075.7 Ų75.70%039%0.386CS..EExtended strand (participates in β ladder)trans-97.8110.9163.5-1750000107.6G22 A23 I25 H40 M41 V61 L77 M79G22-V36 CarbonylContact C-O 3.53Å; G22-V36 WeakPolarHBondContact CA-O 2.93Å; A23-V36 PolarHBondContact N-O 3.47Å; A23-V36 PolarHBondContact O-N 3.45Å; I25-V36 HydrophobicContact CD1-CG2 4.36Å; I25-V36 HydrophobicContact CG1-CG2 3.66Å; V36-H40 HydrophobicContact CG1-CB 4.22Å; V36-M41 HydrophobicContact CB-CG 4.42Å; V36-M41 HydrophobicContact CG1-CB 4.46Å; V36-M41 HydrophobicContact CG1-CG 3.57Å; V36-V61 HydrophobicContact CG2-CG1 4.31Å; V36-L77 HydrophobicContact CG2-CB 3.6Å; V36-L77 HydrophobicContact CG2-CD1 4.43Å; V36-M79 HydrophobicContact CG1-CG 4.02Å; V36-M79 HydrophobicContact CG1-SD 4.07Å; V36-M79 HydrophobicContact CG2-CG 4.18Å; V36-M79 HydrophobicContact CG2-SD 4.36Å
37H93.8Very high88.1Confident73 Ų7373.8 Ų73.834%0.33838%0.382SS..EExtended strand (participates in β ladder)trans-70.9150.2175.2-172.6-112.9000110.7Y21 T39 H40 M41Y21-H37 PolarHBondContact O-CD2 2.85Å; Y21-H37 VanDerWaalsContact O-CD2 3.23Å; H37-T39 PolarHBondContact ND1-OG1 3.26Å; H37-T39 PolarHBondContact O-N 2.87Å; H37-H40 CarbonylContact O-C 3.5Å; H37-H40 WeakPolarHBondContact O-CA 3.35Å; H37-H40 WeakPolarHBondContact O-CB 3.34Å; H37-H40 PolarHBondContact O-N 2.89Å; H37-M41 PolarHBondContact O-N 3.12Å
38R92.1Very high88.1Confident122 Ų12279.4 Ų79.446%0.4641%0.406SS..Hα-helixtrans-49.7-34.7-179.565.4179.3-179.5175.61114.3Y21 H40 M41 P49Y21-R38 PolarHBondContact O-N 3.41Å; R38-H40 PolarHBondContact O-N 3.43Å; R38-M41 PolarHBondContact O-N 3.48Å; R38-P49 HydrophobicContact CB-CG 4.17Å
39T90.3Very high88.5Confident43 Ų4376.5 Ų76.526%0.26439%0.388SS..Hα-helixtrans-74.5-5.8177.962.40000114.6H37 K80H37-T39 PolarHBondContact ND1-OG1 3.26Å; H37-T39 PolarHBondContact O-N 2.87Å; T39-K80 PolarHBondContact O-NZ 3Å
40H92.8Very high89Confident26 Ų2675.8 Ų75.812%0.1237%0.37CS..Hα-helixtrans-117.3-1.3178.7-76.2-84.4000112.3V36 H37 R38 S78 M79 K80V36-H40 HydrophobicContact CG1-CB 4.22Å; H37-H40 CarbonylContact O-C 3.5Å; H37-H40 WeakPolarHBondContact O-CA 3.35Å; H37-H40 WeakPolarHBondContact O-CB 3.34Å; H37-H40 PolarHBondContact O-N 2.89Å; R38-H40 PolarHBondContact O-N 3.43Å; H40-S78 PolarHBondContact ND1-OG 2.99Å; H40-S78 VanDerWaalsContact ND1-OG 3.09Å; H40-M79 PolarHBondContact O-N 3.08Å; H40-K80 WeakPolarHBondContact ND1-CE 3.38Å; H40-K80 PolarHBondContact O-N 2.76Å; H40-K80 VanDerWaalsContact O-N 3.08Å
41M92.6Very high89.4Confident7 Ų780.7 Ų80.73%0.03439%0.389CS..Hα-helixtrans-77.5-44.2175.5-66.3-177.476.400111.9A23 V36 H37 R38 P49 I52 V53A23-M41 HydrophobicContact CB-CE 4.01Å; V36-M41 HydrophobicContact CB-CG 4.42Å; V36-M41 HydrophobicContact CG1-CB 4.46Å; V36-M41 HydrophobicContact CG1-CG 3.57Å; H37-M41 PolarHBondContact O-N 3.12Å; R38-M41 PolarHBondContact O-N 3.48Å; M41-P49 HydrophobicContact CE-CB 3.96Å; M41-P49 HydrophobicContact SD-CB 3.65Å; M41-P49 HydrophobicContact SD-CG 4.1Å; M41-I52 HydrophobicContact CB-CD1 4.04Å; M41-I52 HydrophobicContact CE-CB 4.2Å; M41-I52 HydrophobicContact CE-CG2 4.49Å; M41-V53 HydrophobicContact CE-CG1 4.4Å; M41-V53 HydrophobicContact CE-CG2 3.46Å; M41-V53 VanDerWaalsContact CE-CG2 3.46Å
42S89.9Confident89.9Confident42 Ų4271.6 Ų71.629%0.29436%0.359SS..  trans-138.5161178.4-173.90000111.7C44S42-C44 PolarHBondContact OG-N 3.1Å
43S85.9Confident90.3Very high102 Ų10266.2 Ų66.271%0.71334%0.336SS*.SBendtrans-77-27.1169.8-60.50000111.8
44C85.9Confident90.4Very high95 Ų9566.4 Ų66.464%0.64234%0.34SS*.SBendtrans-82.2165176.2-62.10000111.2S42 V46S42-C44 PolarHBondContact OG-N 3.1Å; C44-V46 WeakPolarHBondContact O-CG2 3.45Å; C44-V46 PolarHBondContact O-N 2.92Å
45R82.9Confident90.6Very high220 Ų22071.1 Ų71.183%0.8337%0.369SS*.  trans-68131.5173.1-174.5171174.9-132-18.8109.2D47R45-D47 IonicContact CZ-OD1 2.8Å; R45-D47 IonicContact NE-OD1 3.1Å; R45-D47 IonicContact NH2-OD1 3.59Å; R45-D47 PolarHBondContact NH2-OD1 3.43Å
46V83.9Confident90.6Very high25 Ų2571.4 Ų71.415%0.15238%0.381CS..  trans-122.5121.5-178.9-178.70000107.3C44 K48 I52C44-V46 WeakPolarHBondContact O-CG2 3.45Å; C44-V46 PolarHBondContact O-N 2.92Å; V46-K48 WeakPolarHBondContact CG1-O 3.31Å; V46-I52 HydrophobicContact CB-CD1 3.96Å; V46-I52 HydrophobicContact CG1-CD1 3.36Å; V46-I52 HydrophobicContact CG1-CG1 4.06Å; V46-I52 HydrophobicContact CG2-CD1 3.36Å
47D87.1Confident90.6Very high100 Ų10074.6 Ų74.654%0.53540%0.398SS..SBendtrans-87.1-43.5175.1-68.1-43.1000110.8R45R45-D47 IonicContact CZ-OD1 2.8Å; R45-D47 IonicContact NE-OD1 3.1Å; R45-D47 IonicContact NH2-OD1 3.59Å; R45-D47 PolarHBondContact NH2-OD1 3.43Å
48K88.7Confident90.6Very high126 Ų12676.9 Ų76.955%0.54841%0.407SS..  trans-123.2122.3177.8-64.6178.6-172.5167.70112.2V46 S50 E51V46-K48 WeakPolarHBondContact CG1-O 3.31Å; K48-S50 PolarHBondContact O-N 3.42Å; K48-E51 HydrophobicContact CB-CG 4.04Å; K48-E51 PolarHBondContact O-N 3.27Å; K48-E51 VanDerWaalsContact O-N 3.16Å
49P90.5Very high90.7Very high2 Ų271.5 Ų71.51%0.01339%0.388CS..G310 helixtrans-56.3-31.5173.6-33.842.7000114.9V18 T19 R38 M41 E51 I52 V53V18-P49 HydrophobicContact CG1-CB 3.85Å; T19-P49 WeakPolarHBondContact O-CB 3.46Å; T19-P49 VanDerWaalsContact O-CG 3.3Å; T19-P49 WeakPolarHBondContact O-CG 3.07Å; R38-P49 HydrophobicContact CB-CG 4.17Å; M41-P49 HydrophobicContact CE-CB 3.96Å; M41-P49 HydrophobicContact SD-CB 3.65Å; M41-P49 HydrophobicContact SD-CG 4.1Å; P49-E51 PolarHBondContact O-N 2.83Å; P49-I52 PolarHBondContact O-N 2.91Å; P49-I52 VanDerWaalsContact O-N 3.12Å; P49-V53 PolarHBondContact O-N 2.9Å
50S91.7Very high90.9Very high66 Ų6671.1 Ų71.146%0.46238%0.382SS..G310 helixtrans-65.7-13.7178.1-52.60000114.3K48 I52K48-S50 PolarHBondContact O-N 3.42Å; S50-I52 VanDerWaalsContact C-N 3.3Å
51E88.8Confident90.9Very high137 Ų13770 Ų7064%0.6438%0.377SS*.G310 helixtrans-83-10.6175.3-66169.9-172.800112.4K48 P49K48-E51 HydrophobicContact CB-CG 4.04Å; K48-E51 PolarHBondContact O-N 3.27Å; K48-E51 VanDerWaalsContact O-N 3.16Å; P49-E51 PolarHBondContact O-N 2.83Å
52I90.2Very high90.8Very high65 Ų6570.1 Ų70.133%0.33338%0.377SS..THydrogen-bonded Turntrans-106.1-40.5-175.1-54.9-176.7000111.6M41 V46 P49 S50M41-I52 HydrophobicContact CB-CD1 4.04Å; M41-I52 HydrophobicContact CE-CB 4.2Å; M41-I52 HydrophobicContact CE-CG2 4.49Å; V46-I52 HydrophobicContact CB-CD1 3.96Å; V46-I52 HydrophobicContact CG1-CD1 3.36Å; V46-I52 HydrophobicContact CG1-CG1 4.06Å; V46-I52 HydrophobicContact CG2-CD1 3.36Å; P49-I52 PolarHBondContact O-N 2.91Å; P49-I52 VanDerWaalsContact O-N 3.12Å; S50-I52 VanDerWaalsContact C-N 3.3Å
53V94.1Very high90.8Very high4 Ų470.1 Ų70.12%0.02437%0.373CS..  trans-143.6146.5-175.3-610000110.5V15 V18 A23 M41 P49 V59 M79V15-V53 HydrophobicContact CG1-CG2 4.42Å; V15-V53 HydrophobicContact CG2-CB 4.16Å; V15-V53 HydrophobicContact CG2-CG2 4.34Å; V18-V53 HydrophobicContact CG2-CG2 4.05Å; A23-V53 HydrophobicContact CB-CG2 3.99Å; M41-V53 HydrophobicContact CE-CG1 4.4Å; M41-V53 HydrophobicContact CE-CG2 3.46Å; M41-V53 VanDerWaalsContact CE-CG2 3.46Å; P49-V53 PolarHBondContact O-N 2.9Å; V53-V59 HydrophobicContact CG1-CG1 4.04Å; V53-M79 HydrophobicContact CG1-CE 3.71Å; V53-M79 HydrophobicContact CG1-SD 4.42Å
54D95.2Very high91Very high102 Ų10266.3 Ų66.355%0.54535%0.345SS..  trans-109.9162.4172-73.1-47.6000111.8V15 G56 D57V15-D54 VanDerWaalsContact CB-O 3.29Å; V15-D54 WeakPolarHBondContact CB-O 3.12Å; V15-D54 WeakPolarHBondContact CG1-O 3.5Å; D54-G56 PolarHBondContact O-N 2.91Å; D54-D57 PolarHBondContact N-OD2 2.96Å; D54-D57 WeakPolarHBondContact O-CB 3.46Å; D54-D57 PolarHBondContact O-N 2.93Å
55V96.4Very high91.1Very high98 Ų9862.5 Ų62.559%0.59432%0.322SS*.THydrogen-bonded Turntrans-64.8126.9174.7179.20000109.1A16 V18A16-V55 WeakPolarHBondContact O-CG1 3.29Å; V18-V55 HydrophobicContact CG2-CG2 4.19Å
56G95.1Very high91.3Very high45 Ų4557 Ų5746%0.46430%0.301SS..THydrogen-bonded Turntrans99.6-9.7-175.900000114.5Y14 V15 D54Y14-G56 WeakPolarHBondContact CD1-O 3.35Å; V15-G56 PolarHBondContact O-N 2.89Å; D54-G56 PolarHBondContact O-N 2.91Å
57D95.4Very high91.5Very high66 Ų6661 Ų6135%0.35332%0.318SS..  trans-66.4144.6-179-80.3-13000113.3Y14 V15 D54 V59Y14-D57 CarbonylContact C-O 3.55Å; Y14-D57 VanDerWaalsContact CA-O 3.28Å; Y14-D57 WeakPolarHBondContact CA-O 3.4Å; V15-D57 HydrophobicContact CG2-CB 4.03Å; V15-D57 PolarHBondContact N-O 3.29Å; D54-D57 PolarHBondContact N-OD2 2.96Å; D54-D57 WeakPolarHBondContact O-CB 3.46Å; D54-D57 PolarHBondContact O-N 2.93Å; D57-V59 HydrophobicContact CB-CG1 4.47Å
58K93.8Very high91.5Very high121 Ų12161.7 Ų61.753%0.52632%0.319SS..EExtended strand (participates in β ladder)trans-95109.9175.5-73-179.7178.1179.10110.7K12 V13 Y14K12-K58 HydrophobicContact CB-CB 4.07Å; K12-K58 HydrophobicContact CD-CB 3.95Å; V13-K58 WeakPolarHBondContact O-CA 3.23Å; Y14-K58 HydrophobicContact CD1-CG 3.77Å; Y14-K58 HydrophobicContact CE1-CD 3.99Å; Y14-K58 HydrophobicContact CE1-CG 3.48Å; Y14-K58 VanDerWaalsContact CE1-CG 3.48Å; Y14-K58 WeakPolarHBondContact OH-CE 3.42Å; Y14-K58 PolarHBondContact OH-NZ 3.34Å
59V94.1Very high91.4Very high10 Ų1062.2 Ų62.26%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-124.1155.8-176.4-64.70000112.4K12 V13 V15 I25 V53 D57 V61 M79K12-V59 WeakPolarHBondContact CA-O 3.44Å; V13-V59 HydrophobicContact CG2-CG2 4.4Å; V13-V59 VanDerWaalsContact CG2-O 3.31Å; V13-V59 WeakPolarHBondContact CG2-O 3.45Å; V13-V59 PolarHBondContact N-O 3.42Å; V13-V59 PolarHBondContact O-N 3.24Å; V15-V59 HydrophobicContact CG2-CG1 4.39Å; V15-V59 HydrophobicContact CG2-CG2 4.06Å; I25-V59 HydrophobicContact CD1-CG2 4Å; V53-V59 HydrophobicContact CG1-CG1 4.04Å; D57-V59 HydrophobicContact CB-CG1 4.47Å; V59-V61 HydrophobicContact CG2-CG1 4.06Å; V59-M79 HydrophobicContact CB-CE 3.94Å; V59-M79 HydrophobicContact CG1-CE 3.77Å; V59-M79 HydrophobicContact CG2-CE 4.37Å
60W93.5Very high91Very high35 Ų3569 Ų6913%0.13336%0.357CS..  trans-93.6133.8171.3-67.6100.9000110.4E9 K10 N11 K12 V82 Q84 G87E9-W60 WeakPolarHBondContact O-CZ3 3.35Å; K10-W60 WeakPolarHBondContact O-CH2 3.44Å; K10-W60 WeakPolarHBondContact O-CZ3 3.46Å; N11-W60 VanDerWaalsContact C-CZ3 3.44Å; K12-W60 HydrophobicContact CG-CD2 3.84Å; K12-W60 VanDerWaalsContact CG-CE2 3.41Å; K12-W60 HydrophobicContact CG-CG 4.17Å; K12-W60 HydrophobicContact CG-CH2 4.43Å; K12-W60 HydrophobicContact CG-CZ2 3.73Å; W60-V82 HydrophobicContact CB-CB 4.31Å; W60-V82 HydrophobicContact CB-CG1 3.62Å; W60-V82 HydrophobicContact CG-CG1 4.46Å; W60-Q84 PolarHBondContact NE1-O 3.43Å; W60-Q84 PolarHBondContact O-NE2 3.27Å; W60-Q84 PolarHBondContact O-OE1 2.81Å; W60-G87 VanDerWaalsContact CD2-CA 3.42Å
61V93Very high90.4Very high2 Ų272.8 Ų72.81%0.01237%0.373CS..  trans-138.6146.6-177.2-58.80000110.9T8 V13 I25 V36 V59 L77 M79T8-V61 HydrophobicContact CG2-CG2 4.38Å; T8-V61 VanDerWaalsContact O-O 3.1Å; V13-V61 HydrophobicContact CG2-CB 4.39Å; V13-V61 HydrophobicContact CG2-CG1 4.04Å; V13-V61 HydrophobicContact CG2-CG2 3.51Å; I25-V61 HydrophobicContact CG1-CG1 4.42Å; V36-V61 HydrophobicContact CG2-CG1 4.31Å; V59-V61 HydrophobicContact CG2-CG1 4.06Å; V61-L77 HydrophobicContact CB-CB 4.4Å; V61-L77 HydrophobicContact CG2-CD1 4.09Å; V61-L77 HydrophobicContact CG2-CD2 4.3Å; V61-M79 HydrophobicContact CG1-CG 3.82Å
62K91Very high90.1Very high10 Ų1076 Ų764%0.04338%0.379CS..EExtended strand (participates in β ladder)trans-109.1139.8170.6-179.6172.6-175.91770110.6I64 L77 S78 V81 V82 D89 D91 N94K62-I64 PolarHBondContact O-N 3.41Å; K62-L77 CarbonylContact O-C 3.56Å; K62-L77 WeakPolarHBondContact O-CA 3.46Å; K62-S78 PolarHBondContact N-O 3.32Å; K62-S78 PolarHBondContact O-N 2.83Å; K62-V81 HydrophobicContact CB-CG2 3.7Å; K62-V81 HydrophobicContact CD-CG2 3.77Å; K62-V81 HydrophobicContact CG-CG2 4.23Å; K62-V82 HydrophobicContact CB-CG2 3.43Å; K62-V82 VanDerWaalsContact CB-CG2 3.43Å; K62-D89 WeakPolarHBondContact CE-OD2 3.28Å; K62-D89 IonicContact NZ-OD1 2.79Å; K62-D89 PolarHBondContact NZ-OD1 3.19Å; K62-D89 VanDerWaalsContact NZ-OD1 3.1Å; K62-D89 IonicContact NZ-OD2 2.63Å; K62-D89 PolarHBondContact NZ-OD2 3.24Å; K62-D91 PolarHBondContact NZ-O 2.75Å; K62-N94 WeakPolarHBondContact CE-OD1 3.26Å; K62-N94 PolarHBondContact NZ-OD1 2.98Å
63L90.5Very high89.9Confident41 Ų4175.7 Ų75.722%0.21538%0.378CS..EExtended strand (participates in β ladder)trans-72.7118.3171.3-176.369.4000110.1I5 V75 L77I5-L63 HydrophobicContact CD1-CD2 4.07Å; I5-L63 HydrophobicContact CG1-CD2 3.57Å; L63-V75 HydrophobicContact CD1-CG1 3.38Å; L63-L77 HydrophobicContact CB-CD2 4.37Å; L63-L77 HydrophobicContact CD1-CD2 3.89Å
64I90Very high89.6Confident23 Ų2381 Ų8112%0.11840%0.4CS..EExtended strand (participates in β ladder)trans-106-17.8-179.561.7164.1000113.1K62 S76 I97 R101K62-I64 PolarHBondContact O-N 3.41Å; I64-S76 WeakPolarHBondContact CG1-O 3.28Å; I64-S76 PolarHBondContact N-O 3.26Å; I64-I97 HydrophobicContact CB-CD1 4.12Å; I64-I97 HydrophobicContact CB-CG2 4.18Å; I64-I97 HydrophobicContact CG2-CD1 3.39Å; I64-I97 HydrophobicContact CG2-CG1 4.02Å; I64-R101 PolarHBondContact O-NH1 3.09Å; I64-R101 PolarHBondContact O-NH2 3.16Å
65G87.8Confident89.4Confident15 Ų1576.7 Ų76.716%0.15538%0.378CS..EExtended strand (participates in β ladder)trans-176.1153.2-179.400000112.4S76G65-S76 PolarHBondContact N-O 2.98Å; G65-S76 PolarHBondContact O-N 3.39Å
66R87.4Confident89.2Confident104 Ų10473.6 Ų73.639%0.39236%0.36SS..EExtended strand (participates in β ladder)trans-142136.8174.9174.8177.2163.4-146.7-6.8108.8M1 I73 K74M1-R66 VanDerWaalsContact SD-CZ 3.54Å; M1-R66 PolarHBondContact SD-NH1 3.48Å; M1-R66 PolarHBondContact SD-NH2 3.45Å; R66-I73 HydrophobicContact CG-CG2 4.48Å; R66-K74 WeakPolarHBondContact CA-O 3.48Å
67E87.4Confident89.1Confident110 Ų11071.5 Ų71.551%0.51434%0.339SS..EExtended strand (participates in β ladder)trans-126.4135.9174.2-164.9179.5174.900108.2K74E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 PolarHBondContact N-O 3.1Å; E67-K74 PolarHBondContact O-N 2.84Å
68M86.5Confident89Confident114 Ų11468.4 Ų68.456%0.56232%0.322SS*.EExtended strand (participates in β ladder)trans-125.5111.5175.5-176.3167.5170.600107.3R72 I73M68-R72 WeakPolarHBondContact CA-O 3.18Å; M68-I73 HydrophobicContact CG-CG1 4.25Å; M68-I73 HydrophobicContact SD-CG1 4.39Å
69K86.8Confident89Confident136 Ų13663 Ų6359%0.59130%0.299SS*.EExtended strand (participates in β ladder)trans-138.4123.8-179.3-169175.1-176.3175.70109.5D71 R72K69-D71 PolarHBondContact O-N 3.47Å; K69-R72 PolarHBondContact N-O 2.96Å; K69-R72 WeakPolarHBondContact O-CB 3.46Å; K69-R72 PolarHBondContact O-N 3.39Å
70N81.9Confident88.9Confident144 Ų14463.9 Ų63.977%0.7730%0.302SS*.THydrogen-bonded Turntrans47.355176.5-54.9-4.9000112.2R72N70-R72 PolarHBondContact O-N 3.09Å
71D80.3Confident88.8Confident146 Ų14662.3 Ų62.378%0.78130%0.296SS*.THydrogen-bonded Turntrans61.2-0.4-175.4-64.2-29.8000117.4K69K69-D71 PolarHBondContact O-N 3.47Å
72R82.2Confident88.8Confident206 Ų20662.8 Ų62.878%0.77730%0.299SS*.EExtended strand (participates in β ladder)trans-87.2116.8171.5-59.3-177.4-177.4-177.60.3109M68 K69 N70M68-R72 WeakPolarHBondContact CA-O 3.18Å; K69-R72 PolarHBondContact N-O 2.96Å; K69-R72 WeakPolarHBondContact O-CB 3.46Å; K69-R72 PolarHBondContact O-N 3.39Å; N70-R72 PolarHBondContact O-N 3.09Å
73I85.9Confident88.8Confident58 Ų5865.1 Ų65.130%0.29731%0.312SS..EExtended strand (participates in β ladder)trans-97.2118.2173.1-55.8173.7000107.9K32 R66 M68 V75K32-I73 HydrophobicContact CG-CB 4.44Å; R66-I73 HydrophobicContact CG-CG2 4.48Å; M68-I73 HydrophobicContact CG-CG1 4.25Å; M68-I73 HydrophobicContact SD-CG1 4.39Å; I73-V75 HydrophobicContact CG2-CG2 3.9Å
74K87.9Confident88.8Confident115 Ų11566.5 Ų66.550%0.532%0.317SS..EExtended strand (participates in β ladder)trans-106.6122.7172-174.5178.7178-177.80108.8R66 E67R66-K74 WeakPolarHBondContact CA-O 3.48Å; E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 PolarHBondContact N-O 3.1Å; E67-K74 PolarHBondContact O-N 2.84Å
75V90.9Very high88.7Confident12 Ų1268.5 Ų68.57%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-113.5119.8179.5-175.70000108.2I27 L35 L63 I73 L77I27-V75 HydrophobicContact CD1-CB 4.4Å; I27-V75 HydrophobicContact CD1-CG1 3.74Å; L35-V75 PolarHBondContact N-O 2.84Å; L63-V75 HydrophobicContact CD1-CG1 3.38Å; I73-V75 HydrophobicContact CG2-CG2 3.9Å; V75-L77 HydrophobicContact CG1-CD2 4.07Å; V75-L77 HydrophobicContact CG1-CG 4.33Å
76S92.2Very high88.7Confident33 Ų3372.4 Ų72.423%0.23136%0.364CS..EExtended strand (participates in β ladder)trans-104.1124.2179.4-56.20000109.5I64 G65I64-S76 WeakPolarHBondContact CG1-O 3.28Å; I64-S76 PolarHBondContact N-O 3.26Å; G65-S76 PolarHBondContact N-O 2.98Å; G65-S76 PolarHBondContact O-N 3.39Å
77L93.2Very high88.7Confident1 Ų168.1 Ų68.11%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-118159.9-176.6-61.7176.1000110.9I25 I27 L35 V36 V61 K62 L63 V75I25-L77 HydrophobicContact CB-CD1 3.75Å; I25-L77 HydrophobicContact CG1-CD1 4.06Å; I25-L77 HydrophobicContact CG2-CD1 4.17Å; I27-L77 HydrophobicContact CD1-CD1 4.09Å; I27-L77 HydrophobicContact CD1-CD2 4.39Å; I27-L77 HydrophobicContact CG1-CD1 4.26Å; L35-L77 PolarHBondContact O-N 2.8Å; V36-L77 HydrophobicContact CG2-CB 3.6Å; V36-L77 HydrophobicContact CG2-CD1 4.43Å; V61-L77 HydrophobicContact CB-CB 4.4Å; V61-L77 HydrophobicContact CG2-CD1 4.09Å; V61-L77 HydrophobicContact CG2-CD2 4.3Å; K62-L77 CarbonylContact O-C 3.56Å; K62-L77 WeakPolarHBondContact O-CA 3.46Å; L63-L77 HydrophobicContact CB-CD2 4.37Å; L63-L77 HydrophobicContact CD1-CD2 3.89Å; V75-L77 HydrophobicContact CG1-CD2 4.07Å; V75-L77 HydrophobicContact CG1-CG 4.33Å
78S93.4Very high88.7Confident0 Ų070 Ų700%036%0.359CS..EExtended strand (participates in β ladder)trans-140.1132.2177.5-1700000111.6H40 K62H40-S78 PolarHBondContact ND1-OG 2.99Å; H40-S78 VanDerWaalsContact ND1-OG 3.09Å; K62-S78 PolarHBondContact N-O 3.32Å; K62-S78 PolarHBondContact O-N 2.83Å
79M93.3Very high88.8Confident9 Ų967 Ų674%0.04435%0.345CS..SBendtrans-94.9-33.2176.5-68.4170.764.600111.7V36 H40 V53 V59 V61 V81 V82 Q84V36-M79 HydrophobicContact CG1-CG 4.02Å; V36-M79 HydrophobicContact CG1-SD 4.07Å; V36-M79 HydrophobicContact CG2-CG 4.18Å; V36-M79 HydrophobicContact CG2-SD 4.36Å; H40-M79 PolarHBondContact O-N 3.08Å; V53-M79 HydrophobicContact CG1-CE 3.71Å; V53-M79 HydrophobicContact CG1-SD 4.42Å; V59-M79 HydrophobicContact CB-CE 3.94Å; V59-M79 HydrophobicContact CG1-CE 3.77Å; V59-M79 HydrophobicContact CG2-CE 4.37Å; V61-M79 HydrophobicContact CG1-CG 3.82Å; M79-V81 PolarHBondContact O-N 3.06Å; M79-V81 VanDerWaalsContact O-N 3.12Å; M79-V82 PolarHBondContact O-N 2.84Å; M79-V82 VanDerWaalsContact O-N 3.1Å; M79-Q84 PolarHBondContact O-NE2 3.28Å
80K92.1Very high88.8Confident28 Ų2865.2 Ų65.212%0.12234%0.342CS..THydrogen-bonded Turntrans-64.5-19.2-176.772.2178.9177.3-166.10115.6T39 H40T39-K80 PolarHBondContact O-NZ 3Å; H40-K80 WeakPolarHBondContact ND1-CE 3.38Å; H40-K80 PolarHBondContact O-N 2.76Å; H40-K80 VanDerWaalsContact O-N 3.08Å
81V91.2Very high89Confident2 Ų258.9 Ų58.91%0.01231%0.308CS..THydrogen-bonded Turntrans-97.66.5-178.6-60.50000111.5K62 M79 L90 D91 I97K62-V81 HydrophobicContact CB-CG2 3.7Å; K62-V81 HydrophobicContact CD-CG2 3.77Å; K62-V81 HydrophobicContact CG-CG2 4.23Å; M79-V81 PolarHBondContact O-N 3.06Å; M79-V81 VanDerWaalsContact O-N 3.12Å; V81-L90 WeakPolarHBondContact O-CB 3.48Å; V81-L90 PolarHBondContact O-N 2.96Å; V81-D91 HydrophobicContact CB-CB 4.03Å; V81-D91 HydrophobicContact CG1-CB 3.98Å; V81-I97 HydrophobicContact CG1-CD1 4.2Å; V81-I97 HydrophobicContact CG1-CG1 4.24Å; V81-I97 HydrophobicContact CG2-CD1 4.49Å
82V92.1Very high89.1Confident12 Ų1256.2 Ų56.27%0.07330%0.298CS..BIsolated β-bridgetrans-130.2134.3178.3-168.70000108.9W60 K62 M79 Q84 G87W60-V82 HydrophobicContact CB-CB 4.31Å; W60-V82 HydrophobicContact CB-CG1 3.62Å; W60-V82 HydrophobicContact CG-CG1 4.46Å; K62-V82 HydrophobicContact CB-CG2 3.43Å; K62-V82 VanDerWaalsContact CB-CG2 3.43Å; M79-V82 PolarHBondContact O-N 2.84Å; M79-V82 VanDerWaalsContact O-N 3.1Å; V82-Q84 PolarHBondContact O-N 3.04Å; V82-Q84 PolarHBondContact O-NE2 3.36Å; V82-G87 WeakPolarHBondContact CG1-O 3.42Å
83N91.3Very high89.2Confident59 Ų5952.6 Ų52.632%0.31629%0.294SS..  trans-70.4123.8174.5-172.1-64.6000110.1G85 T86 G87 K88 L90N83-G85 VanDerWaalsContact C-N 3.31Å; N83-G85 PolarHBondContact O-N 3.16Å; N83-G85 WeakPolarHBondContact OD1-CA 3.22Å; N83-G85 PolarHBondContact OD1-N 3.3Å; N83-T86 WeakPolarHBondContact CB-OG1 3.32Å; N83-T86 VanDerWaalsContact CG-OG1 3.32Å; N83-T86 PolarHBondContact OD1-N 2.79Å; N83-T86 PolarHBondContact OD1-OG1 3.39Å; N83-G87 VanDerWaalsContact O-CA 3.23Å; N83-G87 WeakPolarHBondContact O-CA 3.25Å; N83-G87 PolarHBondContact O-N 2.95Å; N83-K88 PolarHBondContact N-O 2.92Å; N83-L90 HydrophobicContact CB-CD1 4.31Å; N83-L90 HydrophobicContact CB-CD2 4.23Å; N83-L90 HydrophobicContact CB-CG 4.31Å
84Q90.8Very high89.1Confident69 Ų6952.5 Ų52.532%0.32229%0.294SS..THydrogen-bonded Turntrans-75-18.5-176.5-60.2-57.2-48.700113.9W60 M79 V82W60-Q84 PolarHBondContact NE1-O 3.43Å; W60-Q84 PolarHBondContact O-NE2 3.27Å; W60-Q84 PolarHBondContact O-OE1 2.81Å; M79-Q84 PolarHBondContact O-NE2 3.28Å; V82-Q84 PolarHBondContact O-N 3.04Å; V82-Q84 PolarHBondContact O-NE2 3.36Å
85G88.6Confident88.9Confident65 Ų6549.9 Ų49.967%0.6729%0.288SS*.THydrogen-bonded Turntrans-82.2-49.2174.800000112.2N83N83-G85 VanDerWaalsContact C-N 3.31Å; N83-G85 PolarHBondContact O-N 3.16Å; N83-G85 WeakPolarHBondContact OD1-CA 3.22Å; N83-G85 PolarHBondContact OD1-N 3.3Å
86T87.6Confident88.4Confident98 Ų9853.7 Ų53.760%0.60131%0.307SS*.THydrogen-bonded Turntrans-103.3-14.2-171.1600000114.8N83 K88N83-T86 WeakPolarHBondContact CB-OG1 3.32Å; N83-T86 VanDerWaalsContact CG-OG1 3.32Å; N83-T86 PolarHBondContact OD1-N 2.79Å; N83-T86 PolarHBondContact OD1-OG1 3.39Å; T86-K88 PolarHBondContact O-N 2.85Å; T86-K88 WeakPolarHBondContact OG1-CB 3.36Å; T86-K88 PolarHBondContact OG1-N 3.08Å
87G86.3Confident88Confident13 Ų1352.4 Ų52.413%0.13430%0.297CS..  trans723.3-17200000114.1W60 V82 N83W60-G87 VanDerWaalsContact CD2-CA 3.42Å; V82-G87 WeakPolarHBondContact CG1-O 3.42Å; N83-G87 VanDerWaalsContact O-CA 3.23Å; N83-G87 WeakPolarHBondContact O-CA 3.25Å; N83-G87 PolarHBondContact O-N 2.95Å
88K88Confident87.4Confident149 Ų14957.2 Ų57.265%0.64832%0.32SS*.  trans-68.5135.1-178.4-169.5175.5179.7178.40111.1N83 T86 L90N83-K88 PolarHBondContact N-O 2.92Å; T86-K88 PolarHBondContact O-N 2.85Å; T86-K88 WeakPolarHBondContact OG1-CB 3.36Å; T86-K88 PolarHBondContact OG1-N 3.08Å; K88-L90 PolarHBondContact O-N 3.32Å
89D88.7Confident86.8Confident53 Ų5364.7 Ų64.728%0.28335%0.348SS..BIsolated β-bridgetrans-66.5124.5171.5-172.23.5000110.8K62 D91 P92K62-D89 WeakPolarHBondContact CE-OD2 3.28Å; K62-D89 IonicContact NZ-OD1 2.79Å; K62-D89 PolarHBondContact NZ-OD1 3.19Å; K62-D89 VanDerWaalsContact NZ-OD1 3.1Å; K62-D89 IonicContact NZ-OD2 2.63Å; K62-D89 PolarHBondContact NZ-OD2 3.24Å; D89-D91 PolarHBondContact OD1-N 3.31Å; D89-P92 WeakPolarHBondContact OD2-CA 3.46Å
90L87.4Confident85.9Confident98 Ų9869.2 Ų69.251%0.51337%0.365SS..SBendtrans-96.4-12.3-179.7-60.1176.3000112.4V81 N83 K88V81-L90 WeakPolarHBondContact O-CB 3.48Å; V81-L90 PolarHBondContact O-N 2.96Å; N83-L90 HydrophobicContact CB-CD1 4.31Å; N83-L90 HydrophobicContact CB-CD2 4.23Å; N83-L90 HydrophobicContact CB-CG 4.31Å; K88-L90 PolarHBondContact O-N 3.32Å
91D85.4Confident84.9Confident11 Ų1173.7 Ų73.76%0.05938%0.381CS..  trans-134.467.5178.4-172.118.5000110.5K62 V81 D89 N93 N94 V95 I96K62-D91 PolarHBondContact NZ-O 2.75Å; V81-D91 HydrophobicContact CB-CB 4.03Å; V81-D91 HydrophobicContact CG1-CB 3.98Å; D89-D91 PolarHBondContact OD1-N 3.31Å; D91-N93 PolarHBondContact O-N 3.36Å; D91-N94 PolarHBondContact O-N 3Å; D91-N94 PolarHBondContact O-OD1 3.21Å; D91-N94 PolarHBondContact OD1-N 3.13Å; D91-N94 VanDerWaalsContact OD2-CA 3.3Å; D91-N94 WeakPolarHBondContact OD2-CA 3.24Å; D91-V95 PolarHBondContact OD1-N 2.98Å; D91-V95 PolarHBondContact OD2-N 3.03Å; D91-I96 HydrophobicContact CB-CD1 4.29Å; D91-I96 VanDerWaalsContact OD2-CB 3.28Å; D91-I96 WeakPolarHBondContact OD2-CB 3.38Å; D91-I96 PolarHBondContact OD2-N 3.05Å
92P82.8Confident83.9Confident89 Ų8979.8 Ų79.858%0.57841%0.407SS*.THydrogen-bonded Turntrans-60.3-32.6-176.223.3-33.5000112.7D89 N94D89-P92 WeakPolarHBondContact OD2-CA 3.46Å; P92-N94 VanDerWaalsContact C-N 3.33Å
93N84.8Confident82.6Confident130 Ų13085.6 Ų85.670%0.69543%0.428SS*.THydrogen-bonded Turntrans-88.83.1179.9-64.9-20.4000113.3D91 V95D91-N93 PolarHBondContact O-N 3.36Å; N93-V95 HydrophobicContact CB-CG2 3.73Å; N93-V95 PolarHBondContact O-N 3.14Å
94N83.5Confident81.2Confident56 Ų5687.8 Ų87.830%0.29944%0.44SS..  trans53.323.7-179-65.2-37.4000115.1K62 D91 P92 I96 I97 E98K62-N94 WeakPolarHBondContact CE-OD1 3.26Å; K62-N94 PolarHBondContact NZ-OD1 2.98Å; D91-N94 PolarHBondContact O-N 3Å; D91-N94 PolarHBondContact O-OD1 3.21Å; D91-N94 PolarHBondContact OD1-N 3.13Å; D91-N94 VanDerWaalsContact OD2-CA 3.3Å; D91-N94 WeakPolarHBondContact OD2-CA 3.24Å; P92-N94 VanDerWaalsContact C-N 3.33Å; N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å; N94-I97 HydrophobicContact CB-CD1 4.23Å; N94-I97 PolarHBondContact O-N 3.08Å; N94-I97 WeakPolarHBondContact OD1-CD1 3.33Å; N94-E98 WeakPolarHBondContact O-CG 3.41Å; N94-E98 PolarHBondContact O-N 3.3Å
95V83.3Confident79.8Confident61 Ų6190.3 Ų90.337%0.3745%0.454SS..Hα-helixtrans-66.1-37.8-172.2177.60000110.6D91 N93 I97 R99D91-V95 PolarHBondContact OD1-N 2.98Å; D91-V95 PolarHBondContact OD2-N 3.03Å; N93-V95 HydrophobicContact CB-CG2 3.73Å; N93-V95 PolarHBondContact O-N 3.14Å; V95-I97 VanDerWaalsContact C-N 3.33Å; V95-R99 VanDerWaalsContact O-CB 3.24Å; V95-R99 WeakPolarHBondContact O-CB 3.49Å; V95-R99 PolarHBondContact O-N 2.87Å
96I81.4Confident78.3Confident92 Ų9293.3 Ų93.347%0.47245%0.451SS..Hα-helixtrans-67.8-40.3-179.2-57.5173.4000109.8D91 N94 R100D91-I96 HydrophobicContact CB-CD1 4.29Å; D91-I96 VanDerWaalsContact OD2-CB 3.28Å; D91-I96 WeakPolarHBondContact OD2-CB 3.38Å; D91-I96 PolarHBondContact OD2-N 3.05Å; N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å; I96-R100 WeakPolarHBondContact O-CB 3.34Å; I96-R100 PolarHBondContact O-N 3.34Å
97I82.8Confident76.8Confident5 Ų593.1 Ų93.13%0.02645%0.445CS..Hα-helixtrans-66.5-48.2179.4-63.9156.1000110.1I64 V81 N94 V95 R100 R101I64-I97 HydrophobicContact CB-CD1 4.12Å; I64-I97 HydrophobicContact CB-CG2 4.18Å; I64-I97 HydrophobicContact CG2-CD1 3.39Å; I64-I97 HydrophobicContact CG2-CG1 4.02Å; V81-I97 HydrophobicContact CG1-CD1 4.2Å; V81-I97 HydrophobicContact CG1-CG1 4.24Å; V81-I97 HydrophobicContact CG2-CD1 4.49Å; N94-I97 HydrophobicContact CB-CD1 4.23Å; N94-I97 PolarHBondContact O-N 3.08Å; N94-I97 WeakPolarHBondContact OD1-CD1 3.33Å; V95-I97 VanDerWaalsContact C-N 3.33Å; I97-R100 PolarHBondContact O-N 3.1Å; I97-R101 PolarHBondContact O-N 2.95Å
98E80.6Confident75.3Confident103 Ų10394.1 Ų94.148%0.48146%0.455SS..Hα-helixtrans-66.2-45.8-178.3-72.8-163.5168.500113N94 R100 R101 K102N94-E98 WeakPolarHBondContact O-CG 3.41Å; N94-E98 PolarHBondContact O-N 3.3Å; E98-R100 PolarHBondContact O-N 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.45Å; E98-R101 PolarHBondContact O-N 3.44Å; E98-R101 VanDerWaalsContact O-N 3.1Å; E98-K102 PolarHBondContact O-N 3.34Å
99R80.3Confident73.6Confident157 Ų15789.5 Ų89.559%0.59244%0.442SS*.Hα-helixtrans-60.3-36.1-179.8-161.9-178.5-73.6162.5-5.5111V95 R103V95-R99 VanDerWaalsContact O-CB 3.24Å; V95-R99 WeakPolarHBondContact O-CB 3.49Å; V95-R99 PolarHBondContact O-N 2.87Å; R99-R103 WeakPolarHBondContact O-CB 3.49Å; R99-R103 PolarHBondContact O-N 3.26Å; R99-R103 VanDerWaalsContact O-N 3.13Å
100R74.5Confident71.6Confident103 Ų10393 Ų9339%0.38946%0.456SS..Hα-helixtrans-74.2-36.2176.1-159.9170-175.1126.4-3.6112.6I96 I97 E98 N104I96-R100 WeakPolarHBondContact O-CB 3.34Å; I96-R100 PolarHBondContact O-N 3.34Å; I97-R100 PolarHBondContact O-N 3.1Å; E98-R100 PolarHBondContact O-N 3.46Å; R100-N104 PolarHBondContact O-N 3.4Å; R100-N104 VanDerWaalsContact O-N 3.13Å
101R72.5Confident69.8Low122 Ų12293.7 Ų93.746%0.4646%0.46SS..Hα-helixtrans-60.5-49.8171-81.2-176.8169.2155.74.7111.6I64 I97 E98 R103 N104 I105I64-R101 PolarHBondContact O-NH1 3.09Å; I64-R101 PolarHBondContact O-NH2 3.16Å; I97-R101 PolarHBondContact O-N 2.95Å; E98-R101 WeakPolarHBondContact O-CB 3.45Å; E98-R101 PolarHBondContact O-N 3.44Å; E98-R101 VanDerWaalsContact O-N 3.1Å; R101-R103 PolarHBondContact O-N 3.28Å; R101-N104 PolarHBondContact O-N 3.49Å; R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 3.01Å; R101-I105 VanDerWaalsContact O-N 3.16Å
102K69.8Low68.3Low130 Ų13096.9 Ų96.957%0.56548%0.48SS*.Hα-helixtrans-58.5-48.8179.2-72.4-178.3-179.1178.10111.8E98 N104 I105 E106E98-K102 PolarHBondContact O-N 3.34Å; K102-N104 VanDerWaalsContact C-N 3.33Å; K102-N104 PolarHBondContact O-N 3.1Å; K102-I105 PolarHBondContact O-N 3.26Å; K102-I105 VanDerWaalsContact O-N 3.09Å; K102-E106 PolarHBondContact O-N 3.31Å
103R64.9Low66.8Low134 Ų13497.4 Ų97.451%0.50648%0.477SS..Hα-helixtrans-59.7-40.7178.3-169.1-178.1-65.3148.4-2.6113R99 R101 I105 E106 I107R99-R103 WeakPolarHBondContact O-CB 3.49Å; R99-R103 PolarHBondContact O-N 3.26Å; R99-R103 VanDerWaalsContact O-N 3.13Å; R101-R103 PolarHBondContact O-N 3.28Å; R103-I105 VanDerWaalsContact C-N 3.29Å; R103-I105 PolarHBondContact O-N 3.43Å; R103-E106 PolarHBondContact O-N 3.13Å; R103-I107 HydrophobicContact CG-CD1 3.77Å; R103-I107 HydrophobicContact CG-CG1 4.35Å; R103-I107 WeakPolarHBondContact O-CB 3.21Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.45Å; R103-I107 PolarHBondContact O-N 2.97Å
104N60.9Low65.4Low106 Ų10694 Ų9457%0.56746%0.461SS*.Hα-helixtrans-66.8-31.9178-75.8-0.5000112.5R100 R101 K102 G108R100-N104 PolarHBondContact O-N 3.4Å; R100-N104 VanDerWaalsContact O-N 3.13Å; R101-N104 PolarHBondContact O-N 3.49Å; K102-N104 VanDerWaalsContact C-N 3.33Å; K102-N104 PolarHBondContact O-N 3.1Å; N104-G108 PolarHBondContact O-N 3.25Å; N104-G108 VanDerWaalsContact O-N 3.1Å
105I61.1Low63.9Low122 Ų12293.8 Ų93.863%0.62647%0.467SS*.Hα-helixtrans-71.9-43.7175.9-64.6164000110.3R101 K102 R103 G108 S109R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 3.01Å; R101-I105 VanDerWaalsContact O-N 3.16Å; K102-I105 PolarHBondContact O-N 3.26Å; K102-I105 VanDerWaalsContact O-N 3.09Å; R103-I105 VanDerWaalsContact C-N 3.29Å; R103-I105 PolarHBondContact O-N 3.43Å; I105-G108 PolarHBondContact O-N 3.04Å; I105-S109 PolarHBondContact O-N 3.02Å; I105-S109 PolarHBondContact O-OG 2.77Å
106E56.9Low62.5Low128 Ų12896.9 Ų96.960%0.59848%0.478SS*.Hα-helixtrans-66.2-41.1178.3-74.5173.1171.900113.1K102 R103 G108 S109 H110K102-E106 PolarHBondContact O-N 3.31Å; R103-E106 PolarHBondContact O-N 3.13Å; E106-G108 VanDerWaalsContact C-N 3.34Å; E106-S109 WeakPolarHBondContact CA-OG 3.35Å; E106-S109 PolarHBondContact O-N 3.22Å; E106-S109 PolarHBondContact O-OG 2.63Å; E106-H110 WeakPolarHBondContact O-CB 3.47Å; E106-H110 PolarHBondContact O-N 2.74Å
107I56.2Low61Low93 Ų9396.3 Ų96.348%0.47748%0.478SS..Hα-helixtrans-67.7-39.2175-65.2170.5000110.2R103 H110 L111R103-I107 HydrophobicContact CG-CD1 3.77Å; R103-I107 HydrophobicContact CG-CG1 4.35Å; R103-I107 WeakPolarHBondContact O-CB 3.21Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.45Å; R103-I107 PolarHBondContact O-N 2.97Å; I107-H110 PolarHBondContact O-N 3.24Å; I107-L111 HydrophobicContact CG2-CD1 4.01Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.32Å; I107-L111 VanDerWaalsContact O-N 3.08Å
108G54.7Low59.6Low34 Ų34101.1 Ų101.135%0.35150%0.504SS..Hα-helixtrans-64.3-39.5176.400000113.4N104 I105 E106 T112N104-G108 PolarHBondContact O-N 3.25Å; N104-G108 VanDerWaalsContact O-N 3.1Å; I105-G108 PolarHBondContact O-N 3.04Å; E106-G108 VanDerWaalsContact C-N 3.34Å; G108-T112 WeakPolarHBondContact O-CG2 3.3Å; G108-T112 PolarHBondContact O-N 3.35Å; G108-T112 PolarHBondContact O-OG1 2.85Å
109S52.6Low58.2Low53 Ų53105.2 Ų105.237%0.37152%0.515SS..Hα-helixtrans-72.9-34.5177.362.50000112.5I105 E106 T112 L113I105-S109 PolarHBondContact O-N 3.02Å; I105-S109 PolarHBondContact O-OG 2.77Å; E106-S109 WeakPolarHBondContact CA-OG 3.35Å; E106-S109 PolarHBondContact O-N 3.22Å; E106-S109 PolarHBondContact O-OG 2.63Å; S109-T112 WeakPolarHBondContact CA-OG1 3.4Å; S109-T112 PolarHBondContact O-N 3.35Å; S109-T112 PolarHBondContact O-OG1 3.01Å; S109-L113 WeakPolarHBondContact O-CB 3.4Å; S109-L113 WeakPolarHBondContact O-CD1 3.43Å; S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 2.92Å
110H46.4Very low57Low126 Ų126101.1 Ų101.158%0.58351%0.507SS*.Hα-helixtrans-71.1-34.5176.8-160.468.3000112.6E106 I107 T114E106-H110 WeakPolarHBondContact O-CB 3.47Å; E106-H110 PolarHBondContact O-N 2.74Å; I107-H110 PolarHBondContact O-N 3.24Å; H110-T114 WeakPolarHBondContact O-CG2 3.35Å; H110-T114 PolarHBondContact O-N 2.96Å; H110-T114 PolarHBondContact O-OG1 3.33Å
111L50.8Low56.2Low112 Ų112101.5 Ų101.559%0.58652%0.515SS*.Hα-helixtrans-68.8-34.8173.8-73.2168.2000112.9I107 T114 A115I107-L111 HydrophobicContact CG2-CD1 4.01Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.32Å; I107-L111 VanDerWaalsContact O-N 3.08Å; L111-T114 WeakPolarHBondContact CA-OG1 3.48Å; L111-T114 PolarHBondContact O-OG1 3.34Å; L111-T114 VanDerWaalsContact O-OG1 3.05Å; L111-A115 VanDerWaalsContact O-CB 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 2.9Å
112T52.7Low55.3Low79 Ų79102.3 Ų102.349%0.48552%0.524SS..Hα-helixtrans-74.1-38.117651.30000112.3G108 S109 A115 Q116G108-T112 WeakPolarHBondContact O-CG2 3.3Å; G108-T112 PolarHBondContact O-N 3.35Å; G108-T112 PolarHBondContact O-OG1 2.85Å; S109-T112 WeakPolarHBondContact CA-OG1 3.4Å; S109-T112 PolarHBondContact O-N 3.35Å; S109-T112 PolarHBondContact O-OG1 3.01Å; T112-A115 PolarHBondContact O-N 3.28Å; T112-Q116 WeakPolarHBondContact O-CB 3.41Å; T112-Q116 WeakPolarHBondContact O-CG 3.38Å; T112-Q116 PolarHBondContact O-N 3.49Å
113L52.3Low54.5Low99 Ų9999.9 Ų99.952%0.51853%0.529SS..Hα-helixtrans-61.2-50.4173.6-82.8156.7000111S109 A115 Q116 T117S109-L113 WeakPolarHBondContact O-CB 3.4Å; S109-L113 WeakPolarHBondContact O-CD1 3.43Å; S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 2.92Å; L113-A115 PolarHBondContact O-N 3.3Å; L113-Q116 PolarHBondContact O-N 3.44Å; L113-T117 PolarHBondContact O-N 3.11Å; L113-T117 PolarHBondContact O-OG1 2.98Å
114T55Low53.9Low58 Ų58103.8 Ų103.836%0.35654%0.544SS..Hα-helixtrans-62.1-40.1176.9490000112.9H110 L111 T117 L118H110-T114 WeakPolarHBondContact O-CG2 3.35Å; H110-T114 PolarHBondContact O-N 2.96Å; H110-T114 PolarHBondContact O-OG1 3.33Å; L111-T114 WeakPolarHBondContact CA-OG1 3.48Å; L111-T114 PolarHBondContact O-OG1 3.34Å; L111-T114 VanDerWaalsContact O-OG1 3.05Å; T114-T117 PolarHBondContact O-N 3.46Å; T114-L118 WeakPolarHBondContact O-CB 3.47Å; T114-L118 PolarHBondContact O-N 3.47Å
115A52.7Low53.3Low52 Ų52101.6 Ų101.643%0.4355%0.546SS..Hα-helixtrans-66.7-37.6175.800000113.3L111 T112 L113 R119L111-A115 VanDerWaalsContact O-CB 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 2.9Å; T112-A115 PolarHBondContact O-N 3.28Å; L113-A115 PolarHBondContact O-N 3.3Å; A115-R119 PolarHBondContact O-N 3.42Å; A115-R119 VanDerWaalsContact O-N 3.17Å
116Q53.1Low52.7Low127 Ų127104.8 Ų104.859%0.59356%0.558SS**Hα-helixtrans-68.2-42.6173.7-78.4-179.5-0.700111.5T112 L113 L118 R119 V120T112-Q116 WeakPolarHBondContact O-CB 3.41Å; T112-Q116 WeakPolarHBondContact O-CG 3.38Å; T112-Q116 PolarHBondContact O-N 3.49Å; L113-Q116 PolarHBondContact O-N 3.44Å; Q116-L118 PolarHBondContact O-N 3.09Å; Q116-R119 PolarHBondContact O-N 3.05Å; Q116-V120 WeakPolarHBondContact O-CG2 3.45Å; Q116-V120 PolarHBondContact O-N 3.15Å; Q116-V120 VanDerWaalsContact O-N 3.15Å
117T50.2Low52.3Low79 Ų79101.6 Ų101.649%0.48556%0.56SS.*Hα-helixtrans-62.6-41.5176.3-45.50000111.6L113 T114 R119 V120 I121L113-T117 PolarHBondContact O-N 3.11Å; L113-T117 PolarHBondContact O-OG1 2.98Å; T114-T117 PolarHBondContact O-N 3.46Å; T117-R119 PolarHBondContact O-N 3.22Å; T117-V120 PolarHBondContact O-N 3.45Å; T117-I121 HydrophobicContact CG2-CD1 4.19Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 3.27Å
118L54.2Low51.9Low107 Ų107103.1 Ų103.156%0.5657%0.574SS**Hα-helixtrans-62.5-37.7175.3-85.5161.6000113T114 Q116 I121 Q122T114-L118 WeakPolarHBondContact O-CB 3.47Å; T114-L118 PolarHBondContact O-N 3.47Å; Q116-L118 PolarHBondContact O-N 3.09Å; L118-I121 PolarHBondContact O-N 3.17Å; L118-Q122 PolarHBondContact O-N 3.48Å; L118-Q122 VanDerWaalsContact O-N 3.09Å
119R50.9Low51.5Low189 Ų189110.3 Ų110.371%0.71360%0.598SS**Hα-helixtrans-64.2-38.8173.4-79.6-176.4-175.6169.52.7112.7A115 Q116 T117 Q122 A123A115-R119 PolarHBondContact O-N 3.42Å; A115-R119 VanDerWaalsContact O-N 3.17Å; Q116-R119 PolarHBondContact O-N 3.05Å; T117-R119 PolarHBondContact O-N 3.22Å; R119-Q122 PolarHBondContact O-N 2.94Å; R119-A123 WeakPolarHBondContact O-CB 3.4Å; R119-A123 PolarHBondContact O-N 2.82Å
120V55.6Low51.1Low70 Ų70117.4 Ų117.442%0.42463%0.625SS.*Hα-helixtrans-68.5-37.5178175.30000111.4Q116 T117 A123 R124Q116-V120 WeakPolarHBondContact O-CG2 3.45Å; Q116-V120 PolarHBondContact O-N 3.15Å; Q116-V120 VanDerWaalsContact O-N 3.15Å; T117-V120 PolarHBondContact O-N 3.45Å; V120-A123 PolarHBondContact O-N 3.43Å; V120-R124 WeakPolarHBondContact O-CG 3.46Å; V120-R124 PolarHBondContact O-N 2.92Å; V120-R124 VanDerWaalsContact O-N 3.11Å
121I56.7Low50.9Low111 Ų111119.9 Ų119.957%0.56963%0.634SS**Hα-helixtrans-66.9-40.6176.6-65.9167.7000111T117 L118 R124 G125T117-I121 HydrophobicContact CG2-CD1 4.19Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 3.27Å; L118-I121 PolarHBondContact O-N 3.17Å; I121-R124 PolarHBondContact O-N 3.28Å; I121-G125 PolarHBondContact O-N 3.43Å
122Q52.8Low50.7Low139 Ų139117.3 Ų117.365%0.6562%0.623SS**Hα-helixtrans-70.2-35.1176.1-73.7178.1-21.700113.1L118 R119 R124 G125L118-Q122 PolarHBondContact O-N 3.48Å; L118-Q122 VanDerWaalsContact O-N 3.09Å; R119-Q122 PolarHBondContact O-N 2.94Å; Q122-R124 VanDerWaalsContact C-N 3.32Å; Q122-R124 PolarHBondContact O-N 2.92Å; Q122-G125 PolarHBondContact O-N 3.46Å
123A54.3Low50.5Low80 Ų80117.4 Ų117.466%0.66163%0.632SS**Hα-helixtrans-70.5-26.4176.300000113.1R119 V120R119-A123 WeakPolarHBondContact O-CB 3.4Å; R119-A123 PolarHBondContact O-N 2.82Å; V120-A123 PolarHBondContact O-N 3.43Å
124R52Low50.3Low215 Ų215123.5 Ų123.581%0.81165%0.648SS**THydrogen-bonded Turntrans-86.4-6.9174.1-69.4-179.8177.8-176.9-0.2113.7V120 I121 Q122V120-R124 WeakPolarHBondContact O-CG 3.46Å; V120-R124 PolarHBondContact O-N 2.92Å; V120-R124 VanDerWaalsContact O-N 3.11Å; I121-R124 PolarHBondContact O-N 3.28Å; Q122-R124 VanDerWaalsContact C-N 3.32Å; Q122-R124 PolarHBondContact O-N 2.92Å
125G48.8Very low50.2Low60 Ų60126.9 Ų126.962%0.61966%0.66SS**THydrogen-bonded Turntrans-90.3-0.2179.100000115.7I121 Q122I121-G125 PolarHBondContact O-N 3.43Å; Q122-G125 PolarHBondContact O-N 3.46Å
126Q48.6Very low50.2Low190 Ų190131.5 Ų131.589%0.88867%0.673SS**  trans-104.761.3176.3-64.3-166.60.100111.1
127G48.2Very low50Low61 Ų61135.4 Ų135.463%0.62968%0.682SS**SBendtrans-135.8-1.2-178.700000115.4
128T47.5Very low50.1Low125 Ų125141.6 Ų141.677%0.76770%0.696SS**SBendtrans-159.987.2177.943.60000111
129H45.8Very low50Low185 Ų185146.6 Ų146.686%0.85671%0.708SS**  trans-177.743.8145.6-100.4-63.1000112K131H129-K131 VanDerWaalsContact C-N 3.31Å
130Q45.3Very low50Low201 Ų201146.2 Ų146.294%0.93971%0.711SS**  trans-100.342.2165.2-133.3-179.539.700111.5
131K42.5Very low49.7Very low179 Ų179152.8 Ų152.878%0.77873%0.728SS**SBendtrans-149.6115.8168.3-69.2-169.6-175.5178.90104.1H129H129-K131 VanDerWaalsContact C-N 3.31Å
132T46.6Very low49.3Very low57 Ų57157.4 Ų157.435%0.3574%0.739SS.*  cis-164.881.125.144.10000111.4R134 Q135 Q136T132-R134 PolarHBondContact O-N 3.06Å; T132-R134 VanDerWaalsContact O-N 3.14Å; T132-Q135 VanDerWaalsContact CB-OE1 3.31Å; T132-Q135 HydrophobicContact CG2-CB 4.3Å; T132-Q135 HydrophobicContact CG2-CG 3.94Å; T132-Q135 VanDerWaalsContact CG2-OE1 3.23Å; T132-Q135 PolarHBondContact O-N 2.92Å; T132-Q135 PolarHBondContact OG1-OE1 3.05Å; T132-Q136 PolarHBondContact O-N 3.03Å
133A47Very low49.1Very low82 Ų82161 Ų16168%0.67875%0.746SS**Hα-helixtrans-59.7-22.2163.900000111.8R137A133-R137 PolarHBondContact O-N 2.96Å
134R49.3Very low48.8Very low227 Ų227161 Ų16186%0.85774%0.741SS**Hα-helixtrans-75.8-22.2173.6-147.6174.1-175.7-176.51.1114.1T132T132-R134 PolarHBondContact O-N 3.06Å; T132-R134 VanDerWaalsContact O-N 3.14Å
135Q53.2Low48.7Very low128 Ų128155.1 Ų155.160%0.59873%0.73SS**Hα-helixtrans-83-34.4172.6-85.7176-3000112.3T132 R138 R139T132-Q135 VanDerWaalsContact CB-OE1 3.31Å; T132-Q135 HydrophobicContact CG2-CB 4.3Å; T132-Q135 HydrophobicContact CG2-CG 3.94Å; T132-Q135 VanDerWaalsContact CG2-OE1 3.23Å; T132-Q135 PolarHBondContact O-N 2.92Å; T132-Q135 PolarHBondContact OG1-OE1 3.05Å; Q135-R138 PolarHBondContact O-N 3.47Å; Q135-R139 PolarHBondContact O-N 3.25Å
136Q51Low48.7Very low150 Ų150162.7 Ų162.770%0.70174%0.74SS**Hα-helixtrans-71.1-32-179.5-71.2-178-15.100112.5T132 R139T132-Q136 PolarHBondContact O-N 3.03Å; Q136-R139 PolarHBondContact O-N 3.49Å
137R50.4Low48.6Very low209 Ų209164.3 Ų164.379%0.78974%0.738SS**Hα-helixtrans-70.5-26.7172.7-80.2-177.3167.8-179.1-3114A133A133-R137 PolarHBondContact O-N 2.96Å
138R52.1Low48.7Very low209 Ų209164.9 Ų164.979%0.78973%0.732SS**Hα-helixtrans-75.8-24.9175.9-103.8-179.3165.5179.1-4.1113.6Q135Q135-R138 PolarHBondContact O-N 3.47Å
139R50.9Low48.9Very low211 Ų211163.4 Ų163.480%0.79672%0.723SS**Hα-helixtrans-81.5-29.7176.7-78.4-175167.9175.7-1.1113.8Q135 Q136Q135-R139 PolarHBondContact O-N 3.25Å; Q136-R139 PolarHBondContact O-N 3.49Å
140K51.1Low49Very low182 Ų182165 Ų16579%0.79172%0.721SS**Hα-helixtrans-73.5-30.8175.7-88.3-175.1175.2-178.50113.7R142K140-R142 PolarHBondContact O-N 2.89Å
141R49.1Very low49.3Very low207 Ų207159.7 Ų159.778%0.78171%0.707SS**THydrogen-bonded Turntrans-74-17.6175.8-87.6-174.5167.1-175.8-3.4115.3S144R141-S144 PolarHBondContact O-OG 2.98Å
142R49.2Very low49.8Very low208 Ų208158.8 Ų158.879%0.78571%0.705SS**THydrogen-bonded Turntrans-92.4-9176.7-78.8-172.7166.7-174-3.5114.5K140K140-R142 PolarHBondContact O-N 2.89Å
143R48.4Very low50Low215 Ų215160.9 Ų160.981%0.81172%0.722SS**THydrogen-bonded Turntrans-93.9-18.1173.5-82.3-174.4174.6178.2-1.6113.5
144S48.3Very low50.3Low79 Ų79164.2 Ų164.255%0.55273%0.727SS**SBendtrans-80.1-24.2176.162.10000113.7R141R141-S144 PolarHBondContact O-OG 2.98Å
145T50.1Low50.6Low93 Ų93163.2 Ų163.257%0.57173%0.729SS**SBendtrans-91-1.7179.741.20000115.3
146R48.1Very low50.7Low219 Ų219162.2 Ų162.283%0.82674%0.736SS**SBendtrans-103.5-3.2172.4-97.2-173.8179.2-168.40.2114.2
147R47.7Very low51Low224 Ų224162.4 Ų162.485%0.84575%0.747SS**SBendtrans-98.4-11.6176.9-121.9-179.5-173.1-173.30.6113.6
148S50.3Low50.8Low72 Ų72156.5 Ų156.550%0.50375%0.751SS.*SBendtrans-94.8-12.2178.780.30000114.8S151S148-S151 PolarHBondContact O-OG 2.89Å
149T51.8Low50.4Low95 Ų95150.7 Ų150.758%0.58376%0.756SS**SBendtrans-99.59179.856.50000114.4
150R47.9Very low49.9Very low217 Ų217148.1 Ų148.182%0.81980%0.795SS**SBendtrans-109.3-3.8174.3-160.6170.6171.2-175.5-3.1113.3
151S49.6Very low49.9Very low91 Ų91146.5 Ų146.564%0.63680%0.796SS**SBendtrans-94.8-4.617549.60000114.1S148S148-S151 PolarHBondContact O-OG 2.89Å
152E53.1Low49.9Very low160 Ų160143.3 Ų143.375%0.74880%0.796SS**SBendtrans-100.3-2.8-179.9-81.8-179.9154.300114.6
153S51.7Low50Low100 Ų100139.7 Ų139.770%0.69980%0.797SS**SBendtrans-101.218.8-176.5-50.50000115.3
154I53.8Low50.1Low153 Ų153135.2 Ų135.279%0.78580%0.796SS**SBendtrans-117.16.7178.7-54.8178.3000112.4
155K55.3Low50.2Low206 Ų206138.8 Ų138.890%0.89681%0.812SS**SBendtrans-111.330.9-176.2-82.9-167.2177.2-173.50116.2
156S54.8Low50.2Low107 Ų107141.8 Ų141.875%0.74883%0.828SS**SBendtrans-145.134.218071.40000116.9
157V56.7Low50.3Low154 Ų154136.3 Ų136.393%0.93383%0.828SS**SBendtrans-133.589.9163.4-162.90000108.9
158G47.5Very low50.5Low84 Ų84129.5 Ų129.587%0.86683%0.826SS**  trans175.395.4176.200000110.5
159G43.6Very low50.5Low88 Ų88134.3 Ų134.391%0.90785%0.853SS**  trans139.1100.416700000113.6
160G40.8Very low50.4Low157 Ų157137.9 Ų137.9100%1.61988%0.878SS**  trans155.60173.900000110.8

Retrieved 160 of 160 residues in 72.7 ms (Link to these results)

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