A0A087Y4Y0_POEFO Loading...

Ras-related protein Rab

The small GTPases Rab are key regulators in vesicle trafficking.

AlphaFold DB , UniProt , Accession A0A087Y4Y0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1N58.4Low90.7Very high186 Ų18674.6 Ų74.6100%0.99536%0.357SS*.  0114.70-91.1-9.7000110.4
2K80.3Confident91.3Very high206 Ų20668.4 Ų68.490%0.89633%0.327SS*.PPolyproline II helixtrans-81.6127.3178.6-170.2174.8-179.6178.40109.2
3M87.9Confident91.7Very high86 Ų8663.2 Ų63.242%0.42430%0.302SS..PPolyproline II helixtrans-70.9128.5175.1-177.6-171.5-65.900109.6K56M3-K56 HydrophobicContact CE-CD 4.25Å; M3-K56 VanDerWaalsContact CE-CE 3.45Å; M3-K56 HydrophobicContact CG-CD 4.41Å; M3-K56 HydrophobicContact CG-CG 4.18Å; M3-K56 HydrophobicContact SD-CB 4.43Å; M3-K56 HydrophobicContact SD-CD 3.27Å; M3-K56 WeakPolarHBondContact SD-CD 3.23Å; M3-K56 WeakPolarHBondContact SD-CE 3.31Å; M3-K56 HydrophobicContact SD-CG 3.65Å; M3-K56 PolarHBondContact SD-NZ 2.99Å
4K92.9Very high92Very high90 Ų9058.6 Ų58.639%0.39128%0.28SS..EExtended strand (participates in β ladder)trans-88.4129.5176.3-179.6-179.2175-154.90109.2H6 K54 E55 K56K4-H6 WeakPolarHBondContact CE-CE1 3.35Å; K4-H6 PolarHBondContact NZ-CE1 3.18Å; K4-K54 PolarHBondContact N-O 3.14Å; K4-E55 HydrophobicContact CB-CG 4.21Å; K4-E55 HydrophobicContact CD-CG 4.33Å; K4-E55 WeakPolarHBondContact CD-OE1 3.45Å; K4-E55 IonicContact NZ-OE1 2.64Å; K4-E55 PolarHBondContact NZ-OE1 3.04Å; K4-E55 VanDerWaalsContact NZ-OE1 3.16Å; K4-E55 WeakPolarHBondContact O-CA 3.47Å; K4-K56 PolarHBondContact O-N 3.37Å
5E94.6Very high92.1Very high121 Ų12156.3 Ų56.357%0.56527%0.27SS*.EExtended strand (participates in β ladder)trans-114.2130.4-179.1-62.9-166.9172.300110.9K56E5-K56 WeakPolarHBondContact CA-O 3.49Å
6H96.1Very high92Very high21 Ų2154.1 Ų54.110%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-109.7134.2173.8-59.6-85.1000109.5K4 L8 E55 K56 V57 R58 L174K4-H6 WeakPolarHBondContact CE-CE1 3.35Å; K4-H6 PolarHBondContact NZ-CE1 3.18Å; H6-L8 HydrophobicContact CB-CD2 4.34Å; H6-E55 IonicContact CD2-OE1 2.73Å; H6-E55 IonicContact CE1-OE1 2.63Å; H6-E55 IonicContact NE2-OE1 2.97Å; H6-E55 PolarHBondContact NE2-OE1 2.91Å; H6-K56 PolarHBondContact N-O 3.33Å; H6-V57 HydrophobicContact CB-CG2 4.23Å; H6-R58 PolarHBondContact O-N 3.06Å; H6-L174 HydrophobicContact CB-CD2 3.99Å
7L96.6Very high91.9Very high86 Ų8656.6 Ų56.645%0.4528%0.282SS..EExtended strand (participates in β ladder)trans-112.2112.9173-176.366.4000109.1R58 Q60L7-R58 WeakPolarHBondContact CA-O 3.34Å; L7-R58 HydrophobicContact CD1-CB 3.74Å; L7-Q60 HydrophobicContact CD1-CG 3.84Å
8L97.8Very high92.1Very high0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-113114.9-175.7-51-174.2000109.9H6 I10 V57 R58 Q60 V82 V170 I173 L174H6-L8 HydrophobicContact CB-CD2 4.34Å; L8-I10 HydrophobicContact CB-CG1 4.43Å; L8-V57 HydrophobicContact CD1-CG1 3.47Å; L8-V57 VanDerWaalsContact CD1-CG1 3.47Å; L8-V57 HydrophobicContact CG-CG1 3.81Å; L8-R58 PolarHBondContact N-O 3.17Å; L8-Q60 PolarHBondContact O-N 3.13Å; L8-V82 HydrophobicContact CB-CG2 3.98Å; L8-V82 HydrophobicContact CD2-CG2 4.16Å; L8-V170 HydrophobicContact CD1-CB 4.44Å; L8-V170 HydrophobicContact CD1-CG1 3.97Å; L8-V170 HydrophobicContact CD1-CG2 4.15Å; L8-I173 HydrophobicContact CD1-CB 4.42Å; L8-I173 HydrophobicContact CD1-CD1 4.39Å; L8-I173 HydrophobicContact CD1-CG2 4.16Å; L8-I173 HydrophobicContact CD2-CG2 3.77Å; L8-L174 HydrophobicContact CD1-CD2 4.46Å; L8-L174 HydrophobicContact CD2-CD2 4.44Å
9K97.4Very high92.3Very high25 Ų2551.4 Ų51.411%0.10926%0.26CS..EExtended strand (participates in β ladder)trans-85112.2168.4177.3171173.1178.90109.9W62 Y77 K79 A81 V82K9-W62 HydrophobicContact CD-CZ2 4.37Å; K9-W62 HydrophobicContact CG-CG 4.41Å; K9-Y77 WeakPolarHBondContact CE-O 3.38Å; K9-Y77 PolarHBondContact NZ-O 2.87Å; K9-K79 PolarHBondContact NZ-O 3.25Å; K9-A81 HydrophobicContact CG-CB 4.41Å; K9-V82 WeakPolarHBondContact O-CG2 3.22Å; K9-V82 PolarHBondContact O-N 2.7Å
10I98.3Very high92.5Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-115.8125.8-179.7-60.7-177.3000109.5L8 I12 V59 Q60 W62 G83 V85 M166 L169 V170 I173L8-I10 HydrophobicContact CB-CG1 4.43Å; I10-I12 HydrophobicContact CG2-CD1 4.14Å; I10-V59 HydrophobicContact CB-CG1 4.4Å; I10-V59 HydrophobicContact CD1-CG1 3.7Å; I10-V59 HydrophobicContact CG1-CG1 4.14Å; I10-Q60 PolarHBondContact N-O 3.38Å; I10-W62 PolarHBondContact O-N 3.04Å; I10-G83 WeakPolarHBondContact CA-O 3.28Å; I10-V85 HydrophobicContact CG2-CG2 4.17Å; I10-M166 HydrophobicContact CD1-CE 3.82Å; I10-M166 HydrophobicContact CG2-CE 4.42Å; I10-L169 HydrophobicContact CD1-CD2 3.95Å; I10-L169 HydrophobicContact CD1-CG 4.31Å; I10-L169 HydrophobicContact CG2-CD2 3.74Å; I10-V170 HydrophobicContact CD1-CG2 4.36Å; I10-I173 HydrophobicContact CD1-CD1 3.86Å; I10-I173 HydrophobicContact CG1-CD1 4.06Å
11L97.7Very high92.6Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-84.2141.1174.7-56.9172.2000110.2I13 W62 F78 A81 G83 S84 V85 L106L11-I13 HydrophobicContact CB-CG2 4.11Å; L11-W62 HydrophobicContact CD2-CB 3.96Å; L11-W62 HydrophobicContact CD2-CG 4.48Å; L11-F78 HydrophobicContact CD1-CB 4.05Å; L11-F78 HydrophobicContact CD1-CD1 3.62Å; L11-F78 HydrophobicContact CD1-CD2 4.07Å; L11-F78 HydrophobicContact CD1-CE1 4.08Å; L11-F78 HydrophobicContact CD1-CE2 4.5Å; L11-F78 HydrophobicContact CD1-CG 3.63Å; L11-F78 HydrophobicContact CD2-CD1 4.2Å; L11-A81 HydrophobicContact CD1-CB 3.61Å; L11-A81 HydrophobicContact CD2-CB 4.15Å; L11-A81 HydrophobicContact CG-CB 3.6Å; L11-G83 PolarHBondContact N-O 2.76Å; L11-G83 VanDerWaalsContact N-O 3.11Å; L11-S84 CarbonylContact O-C 3.53Å; L11-S84 WeakPolarHBondContact O-CA 3.39Å; L11-V85 PolarHBondContact O-N 2.86Å; L11-L106 HydrophobicContact CD1-CD1 3.67Å
12I97.7Very high94.4Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-115.5108.3169.2-44.4-63.5000107.1I10 K20 F23 V24 L61 W62 V64 V85 M87I10-I12 HydrophobicContact CG2-CD1 4.14Å; I12-K20 HydrophobicContact CG2-CB 3.8Å; I12-K20 HydrophobicContact CG2-CD 4.41Å; I12-K20 HydrophobicContact CG2-CG 4.12Å; I12-F23 HydrophobicContact CD1-CE1 4.42Å; I12-V24 HydrophobicContact CB-CG2 4.27Å; I12-V24 HydrophobicContact CG1-CG2 3.66Å; I12-V24 HydrophobicContact CG2-CG2 4.36Å; I12-L61 HydrophobicContact CD1-CD2 4.1Å; I12-W62 PolarHBondContact N-O 2.93Å; I12-V64 PolarHBondContact O-N 2.84Å; I12-V64 VanDerWaalsContact O-N 3.07Å; I12-V85 WeakPolarHBondContact CA-O 3.24Å; I12-V85 HydrophobicContact CD1-CB 3.72Å; I12-V85 HydrophobicContact CD1-CG2 3.73Å; I12-M87 HydrophobicContact CG2-SD 3.98Å
13I96.5Very high95.2Very high0 Ų032.1 Ų32.10%017%0.174CC..EExtended strand (participates in β ladder)trans-127.1166.8-170.158.3166.4000111.4L11 K20 V64 F78 V85 L86 M87 W102 L106L11-I13 HydrophobicContact CB-CG2 4.11Å; I13-K20 WeakPolarHBondContact O-CD 3.44Å; I13-V64 HydrophobicContact CG2-CB 4.13Å; I13-V64 HydrophobicContact CG2-CG2 4.09Å; I13-F78 HydrophobicContact CG2-CE1 3.99Å; I13-F78 HydrophobicContact CG2-CZ 3.9Å; I13-V85 WeakPolarHBondContact CG1-O 3.42Å; I13-V85 PolarHBondContact N-O 3.26Å; I13-L86 HydrophobicContact CB-CD1 4.45Å; I13-L86 HydrophobicContact CD1-CB 4.43Å; I13-L86 HydrophobicContact CD1-CD1 4.02Å; I13-L86 HydrophobicContact CG1-CB 4.16Å; I13-L86 HydrophobicContact CG1-CD1 3.76Å; I13-L86 WeakPolarHBondContact O-CA 3.3Å; I13-M87 PolarHBondContact O-N 3.08Å; I13-W102 HydrophobicContact CB-CD2 4.49Å; I13-W102 HydrophobicContact CB-CE3 3.91Å; I13-W102 HydrophobicContact CB-CZ3 4.15Å; I13-W102 HydrophobicContact CD1-CB 4.44Å; I13-W102 HydrophobicContact CD1-CE3 4.28Å; I13-W102 HydrophobicContact CG2-CE3 4.39Å; I13-W102 HydrophobicContact CG2-CZ3 4.26Å; I13-L106 HydrophobicContact CD1-CB 4.26Å; I13-L106 HydrophobicContact CD1-CD1 4.48Å; I13-L106 HydrophobicContact CD1-CD2 4.25Å
14G95.5Very high95.6Very high0 Ų028.2 Ų28.20%016%0.155CC..  trans133.8170.3-174.600000112K20 G66 M87 W102G14-K20 WeakPolarHBondContact O-CE 3.42Å; G14-K20 PolarHBondContact O-NZ 3.28Å; G14-G66 VanDerWaalsContact O-CA 3.24Å; G14-G66 WeakPolarHBondContact O-CA 3.16Å; G14-M87 WeakPolarHBondContact CA-O 3.4Å; G14-W102 WeakPolarHBondContact O-CZ2 3.27Å
15D93.6Very high95.7Very high23 Ų2327.9 Ų27.912%0.12316%0.155CC..SBendtrans-62.9168.5-174.5-157.510.4000113V18 K20 K98D15-V18 HydrophobicContact CB-CG1 4.03Å; D15-V18 VanDerWaalsContact O-CG2 3.26Å; D15-V18 WeakPolarHBondContact O-CG2 3.29Å; D15-K20 PolarHBondContact O-NZ 3.41Å; D15-K98 HydrophobicContact CB-CD 4.23Å; D15-K98 IonicContact OD1-NZ 2.6Å; D15-K98 PolarHBondContact OD1-NZ 3.27Å; D15-K98 WeakPolarHBondContact OD2-CD 3.34Å; D15-K98 WeakPolarHBondContact OD2-CE 3.46Å; D15-K98 IonicContact OD2-NZ 2.78Å; D15-K98 PolarHBondContact OD2-NZ 2.86Å
16G90.4Very high95.7Very high22 Ų2224 Ų2423%0.22714%0.135CC..THydrogen-bonded Turntrans-53.5148.6170.100000112.1V18 G66G16-V18 PolarHBondContact O-N 3.41Å; G16-G66 PolarHBondContact N-O 3.16Å
17N90.9Very high95.7Very high96 Ų9623.3 Ų23.351%0.51313%0.131SC..THydrogen-bonded Turntrans63.65171.2-57.8-11000117.9G19 Y36 K126N17-G19 PolarHBondContact O-N 2.91Å; N17-Y36 VanDerWaalsContact OD1-CE2 3.29Å; N17-Y36 WeakPolarHBondContact OD1-CE2 3.5Å; N17-Y36 PolarHBondContact OD1-OH 3.45Å; N17-K126 WeakPolarHBondContact O-CE 3.15Å; N17-K126 PolarHBondContact O-NZ 2.76Å
18V95.4Very high95.6Very high0 Ų022 Ų220%013%0.127CC..SBendtrans-74.2-10.4176.6-53.90000113.8D15 G16 K20 M87 D89 N125D15-V18 HydrophobicContact CB-CG1 4.03Å; D15-V18 VanDerWaalsContact O-CG2 3.26Å; D15-V18 WeakPolarHBondContact O-CG2 3.29Å; G16-V18 PolarHBondContact O-N 3.41Å; V18-K20 HydrophobicContact CG2-CD 4.19Å; V18-K20 HydrophobicContact CG2-CG 3.61Å; V18-M87 HydrophobicContact CG2-CB 3.88Å; V18-D89 HydrophobicContact CG1-CB 4.43Å; V18-N125 PolarHBondContact O-ND2 2.93Å
19G95.4Very high95.2Very high15 Ų1524.4 Ų24.416%0.15514%0.144CC..SBendtrans101.120.6173.700000116.7N17 S22 F23N17-G19 PolarHBondContact O-N 2.91Å; G19-S22 PolarHBondContact O-N 2.78Å; G19-F23 WeakPolarHBondContact O-CB 3.17Å; G19-F23 PolarHBondContact O-N 2.89Å
20K96.2Very high94.5Very high12 Ų1225.5 Ų25.55%0.05216%0.161CC..Hα-helixtrans-56.1-54.7179.9-57.7-172.3-58.7-73.60113.9I12 I13 G14 D15 V18 S22 F23 V24 D63 V64 M87I12-K20 HydrophobicContact CG2-CB 3.8Å; I12-K20 HydrophobicContact CG2-CD 4.41Å; I12-K20 HydrophobicContact CG2-CG 4.12Å; I13-K20 WeakPolarHBondContact O-CD 3.44Å; G14-K20 WeakPolarHBondContact O-CE 3.42Å; G14-K20 PolarHBondContact O-NZ 3.28Å; D15-K20 PolarHBondContact O-NZ 3.41Å; V18-K20 HydrophobicContact CG2-CD 4.19Å; V18-K20 HydrophobicContact CG2-CG 3.61Å; K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 3.07Å; K20-F23 WeakPolarHBondContact O-CA 3.03Å; K20-F23 VanDerWaalsContact O-CB 3.31Å; K20-F23 WeakPolarHBondContact O-CB 3.4Å; K20-F23 PolarHBondContact O-N 3.46Å; K20-V24 PolarHBondContact O-N 3.47Å; K20-D63 VanDerWaalsContact CB-OD1 3.25Å; K20-D63 WeakPolarHBondContact CB-OD1 3.49Å; K20-V64 WeakPolarHBondContact CE-O 3.38Å; K20-M87 HydrophobicContact CB-SD 4.38Å; K20-M87 HydrophobicContact CG-CB 4.27Å; K20-M87 HydrophobicContact CG-CG 4.45Å; K20-M87 HydrophobicContact CG-SD 4.1Å
21S94.6Very high93.5Very high41 Ų4131.7 Ų31.729%0.28719%0.191SC..Hα-helixtrans-62.2-40.5180-37.60000111.7F23 V24 H25 T39 D63S21-F23 VanDerWaalsContact C-N 3.32Å; S21-F23 PolarHBondContact O-N 2.67Å; S21-V24 PolarHBondContact O-N 3.23Å; S21-H25 WeakPolarHBondContact O-CB 3.31Å; S21-H25 PolarHBondContact O-N 3.03Å; S21-T39 PolarHBondContact OG-OG1 2.9Å; S21-D63 WeakPolarHBondContact CA-OD2 3.43Å; S21-D63 WeakPolarHBondContact CB-OD2 3.49Å; S21-D63 PolarHBondContact OG-OD2 3.11Å
22S95.6Very high92.3Very high36 Ų3635 Ų3525%0.25221%0.205SC..Hα-helixtrans-64.3-37.3174.6-53.60000111.9G19 K20 R26 V156G19-S22 PolarHBondContact O-N 2.78Å; K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 3.07Å; S22-R26 WeakPolarHBondContact O-CB 3.14Å; S22-R26 PolarHBondContact O-N 3.41Å; S22-V156 VanDerWaalsContact C-CG1 3.45Å; S22-V156 WeakPolarHBondContact O-CG1 3.41Å
23F97.4Very high91.2Very high0 Ų039.3 Ų39.30%023%0.228CC..Hα-helixtrans-63.9-48175177.1-88.8000111.3I12 G19 K20 S21 R26 Y27 M87 L123 T154 V156 I162 M166I12-F23 HydrophobicContact CD1-CE1 4.42Å; G19-F23 WeakPolarHBondContact O-CB 3.17Å; G19-F23 PolarHBondContact O-N 2.89Å; K20-F23 WeakPolarHBondContact O-CA 3.03Å; K20-F23 VanDerWaalsContact O-CB 3.31Å; K20-F23 WeakPolarHBondContact O-CB 3.4Å; K20-F23 PolarHBondContact O-N 3.46Å; S21-F23 VanDerWaalsContact C-N 3.32Å; S21-F23 PolarHBondContact O-N 2.67Å; F23-R26 PolarHBondContact O-N 3.23Å; F23-Y27 WeakPolarHBondContact O-CB 3.28Å; F23-Y27 PolarHBondContact O-N 3.35Å; F23-M87 HydrophobicContact CB-CE 3.81Å; F23-M87 HydrophobicContact CB-SD 3.76Å; F23-M87 HydrophobicContact CD1-SD 4.29Å; F23-M87 HydrophobicContact CD2-CE 4.02Å; F23-M87 HydrophobicContact CD2-SD 4.34Å; F23-M87 HydrophobicContact CG-CE 4.05Å; F23-M87 HydrophobicContact CG-SD 3.89Å; F23-L123 HydrophobicContact CD2-CD1 4.04Å; F23-L123 HydrophobicContact CE1-CD1 4.48Å; F23-L123 HydrophobicContact CE2-CD1 3.41Å; F23-L123 VanDerWaalsContact CE2-CD1 3.41Å; F23-L123 HydrophobicContact CZ-CD1 3.68Å; F23-T154 HydrophobicContact CD2-CG2 4.3Å; F23-T154 HydrophobicContact CE2-CG2 4.27Å; F23-V156 HydrophobicContact CB-CG2 3.68Å; F23-V156 HydrophobicContact CD2-CG2 3.93Å; F23-V156 HydrophobicContact CG-CG2 4.31Å; F23-I162 HydrophobicContact CD2-CG1 4.19Å; F23-I162 HydrophobicContact CD2-CG2 4.16Å; F23-I162 HydrophobicContact CE2-CB 4.13Å; F23-I162 HydrophobicContact CE2-CG1 4.07Å; F23-I162 HydrophobicContact CE2-CG2 3.71Å; F23-I162 HydrophobicContact CZ-CG2 4.03Å; F23-M166 HydrophobicContact CE1-CG 4.11Å; F23-M166 HydrophobicContact CE1-SD 3.74Å; F23-M166 HydrophobicContact CZ-CG 3.83Å; F23-M166 HydrophobicContact CZ-SD 3.86Å
24V96.5Very high89.7Confident5 Ų549.1 Ų49.13%0.0327%0.265CS..Hα-helixtrans-59.1-51.1176.11750000110.6I12 K20 S21 R26 Y27 V28 L61 D63I12-V24 HydrophobicContact CB-CG2 4.27Å; I12-V24 HydrophobicContact CG1-CG2 3.66Å; I12-V24 HydrophobicContact CG2-CG2 4.36Å; K20-V24 PolarHBondContact O-N 3.47Å; S21-V24 PolarHBondContact O-N 3.23Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 2.93Å; V24-Y27 PolarHBondContact O-N 3.43Å; V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CB 3.46Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.44Å; V24-V28 PolarHBondContact O-N 3.46Å; V24-L61 HydrophobicContact CG1-CB 4.06Å; V24-L61 HydrophobicContact CG1-CD1 4Å; V24-L61 HydrophobicContact CG2-CB 4.4Å; V24-D63 HydrophobicContact CG2-CB 4.17Å
25H94.4Very high88.6Confident83 Ų8353.6 Ų53.638%0.38429%0.292SS..Hα-helixtrans-58.1-46.6179-174.5-86.8000111.5S21 V28 S29 Q31S21-H25 WeakPolarHBondContact O-CB 3.31Å; S21-H25 PolarHBondContact O-N 3.03Å; H25-V28 PolarHBondContact O-N 2.96Å; H25-S29 PolarHBondContact CE1-OG 2.88Å; H25-S29 PolarHBondContact ND1-OG 3.41Å; H25-S29 WeakPolarHBondContact O-CB 3.5Å; H25-S29 PolarHBondContact O-N 3.3Å; H25-S29 PolarHBondContact O-OG 3.32Å; H25-Q31 PolarHBondContact ND1-O 2.85Å
26R95.4Very high87.1Confident39 Ų3958.4 Ų58.415%0.14731%0.31CS..Hα-helixtrans-63.8-44.2179176.965.590.1-179.110.3111.8S22 F23 V24 V28 G30 Q31 F32 V156 K157 N159 I162S22-R26 WeakPolarHBondContact O-CB 3.14Å; S22-R26 PolarHBondContact O-N 3.41Å; F23-R26 PolarHBondContact O-N 3.23Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 2.93Å; R26-V28 VanDerWaalsContact C-N 3.33Å; R26-V28 PolarHBondContact O-N 2.93Å; R26-G30 WeakPolarHBondContact CD-O 3.39Å; R26-G30 PolarHBondContact NH1-O 3.21Å; R26-G30 WeakPolarHBondContact O-CA 3.29Å; R26-G30 PolarHBondContact O-N 3.1Å; R26-Q31 VanDerWaalsContact CA-O 3.3Å; R26-Q31 WeakPolarHBondContact CA-O 3.5Å; R26-F32 VanDerWaalsContact NH1-N 3.18Å; R26-V156 HydrophobicContact CB-CG1 4.02Å; R26-V156 PolarHBondContact NE-O 2.98Å; R26-V156 VanDerWaalsContact NE-O 3.1Å; R26-K157 PolarHBondContact NH2-O 2.82Å; R26-N159 WeakPolarHBondContact CG-OD1 3.4Å; R26-I162 HydrophobicContact CB-CD1 3.98Å; R26-I162 HydrophobicContact CG-CD1 3.23Å
27Y96.8Very high86.3Confident7 Ų765.2 Ų65.23%0.02733%0.333CS..Hα-helixtrans-64.1-39.6178-178.4-125.4000111.6F23 V24 K47 L61 I162 D163 M166F23-Y27 WeakPolarHBondContact O-CB 3.28Å; F23-Y27 PolarHBondContact O-N 3.35Å; V24-Y27 PolarHBondContact O-N 3.43Å; Y27-K47 HydrophobicContact CD1-CD 3.93Å; Y27-K47 HydrophobicContact CD2-CD 4.29Å; Y27-K47 HydrophobicContact CE1-CB 4.4Å; Y27-K47 HydrophobicContact CE1-CD 3.67Å; Y27-K47 HydrophobicContact CE1-CG 4.38Å; Y27-K47 HydrophobicContact CE2-CD 4.05Å; Y27-K47 VanDerWaalsContact CE2-NZ 3.33Å; Y27-K47 HydrophobicContact CG-CD 4.23Å; Y27-K47 VanDerWaalsContact O-CD 3.32Å; Y27-K47 WeakPolarHBondContact O-CD 3.49Å; Y27-K47 WeakPolarHBondContact O-CE 3.48Å; Y27-K47 PolarHBondContact O-NZ 2.83Å; Y27-L61 HydrophobicContact CD1-CD1 3.72Å; Y27-L61 HydrophobicContact CD1-CD2 4.36Å; Y27-L61 HydrophobicContact CE1-CD1 4.21Å; Y27-L61 HydrophobicContact CE1-CD2 4.47Å; Y27-I162 HydrophobicContact CD2-CG2 3.94Å; Y27-I162 HydrophobicContact CG-CG2 4.22Å; Y27-D163 VanDerWaalsContact CD2-OD1 3.31Å; Y27-D163 WeakPolarHBondContact CD2-OD1 3.29Å; Y27-D163 WeakPolarHBondContact CE2-OD1 2.91Å; Y27-M166 HydrophobicContact CD1-CE 4.42Å; Y27-M166 HydrophobicContact CD1-CG 3.99Å; Y27-M166 HydrophobicContact CD2-CB 4.35Å; Y27-M166 HydrophobicContact CD2-CG 3.97Å; Y27-M166 HydrophobicContact CE1-CB 4.1Å; Y27-M166 HydrophobicContact CE1-CE 3.85Å; Y27-M166 HydrophobicContact CE1-CG 3.79Å; Y27-M166 HydrophobicContact CE1-SD 4.49Å; Y27-M166 HydrophobicContact CE2-CB 3.67Å; Y27-M166 HydrophobicContact CE2-CG 3.76Å; Y27-M166 HydrophobicContact CG-CG 4.08Å
28V94.4Very high85.6Confident58 Ų5864.8 Ų64.835%0.35233%0.329SS..Hα-helixtrans-77.9-48.7-177.3175.60000112.3V24 H25 R26 K47 L61V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CB 3.46Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.44Å; V24-V28 PolarHBondContact O-N 3.46Å; H25-V28 PolarHBondContact O-N 2.96Å; R26-V28 VanDerWaalsContact C-N 3.33Å; R26-V28 PolarHBondContact O-N 2.93Å; V28-K47 HydrophobicContact CG2-CB 4.4Å; V28-L61 HydrophobicContact CG2-CD1 3.49Å; V28-L61 VanDerWaalsContact CG2-CD1 3.49Å
29S89.2Confident84.6Confident51 Ų5165.9 Ų65.936%0.35734%0.336SS..Hα-helixtrans-99.1-14.5-170.770.50000114.5H25 Q31H25-S29 PolarHBondContact CE1-OG 2.88Å; H25-S29 PolarHBondContact ND1-OG 3.41Å; H25-S29 WeakPolarHBondContact O-CB 3.5Å; H25-S29 PolarHBondContact O-N 3.3Å; H25-S29 PolarHBondContact O-OG 3.32Å; S29-Q31 PolarHBondContact O-N 3.31Å; S29-Q31 PolarHBondContact OG-N 3.38Å
30G82.4Confident83.7Confident47 Ų4770.6 Ų70.649%0.48536%0.361SS..SBendtrans71.9-0.1-168.100000114R26R26-G30 WeakPolarHBondContact CD-O 3.39Å; R26-G30 PolarHBondContact NH1-O 3.21Å; R26-G30 WeakPolarHBondContact O-CA 3.29Å; R26-G30 PolarHBondContact O-N 3.1Å
31Q78.1Confident82.7Confident131 Ų13170.5 Ų70.561%0.61236%0.363SS*.  trans-108.8150.1-175.2-60.9-179.513.100112.7H25 R26 S29H25-Q31 PolarHBondContact ND1-O 2.85Å; R26-Q31 VanDerWaalsContact CA-O 3.3Å; R26-Q31 WeakPolarHBondContact CA-O 3.5Å; S29-Q31 PolarHBondContact O-N 3.31Å; S29-Q31 PolarHBondContact OG-N 3.38Å
32F72.6Confident82.1Confident69 Ų6970.6 Ų70.630%0.30336%0.362SS..  trans-116.7128.7171.6174.2-110000110R26 R34 V156 K157R26-F32 VanDerWaalsContact NH1-N 3.18Å; F32-R34 HydrophobicContact CD1-CG 4.21Å; F32-R34 HydrophobicContact CE1-CG 3.62Å; F32-R34 HydrophobicContact CZ-CG 4.47Å; F32-V156 HydrophobicContact CD2-CG1 3.81Å; F32-V156 HydrophobicContact CE2-CG1 4.05Å; F32-K157 HydrophobicContact CD1-CG 4.49Å; F32-K157 HydrophobicContact CE1-CB 4.23Å; F32-K157 HydrophobicContact CE1-CG 4.1Å; F32-K157 HydrophobicContact CZ-CB 4.25Å
33N74.5Confident81.8Confident90 Ų9073.3 Ų73.348%0.48137%0.374SS..  trans-105126172.8-166.6-16.5000109T35N33-T35 VanDerWaalsContact C-N 3.28Å; N33-T35 WeakPolarHBondContact OD1-CB 3.31Å; N33-T35 PolarHBondContact OD1-N 3.46Å; N33-T35 PolarHBondContact OD1-OG1 2.79Å
34R65.4Low81.4Confident207 Ų20778 Ų7878%0.78139%0.394SS*.  trans-73.3-21.8174.8-76.6-175.4-178.7-151.33.2112.5F32 Y36F32-R34 HydrophobicContact CD1-CG 4.21Å; F32-R34 HydrophobicContact CE1-CG 3.62Å; F32-R34 HydrophobicContact CZ-CG 4.47Å; R34-Y36 PolarHBondContact O-N 2.65Å
35T70.6Confident81.3Confident93 Ų9379 Ų7957%0.57140%0.402SS*.SBendtrans-69.9106.9179.3-55.20000109.5N33 K37N33-T35 VanDerWaalsContact C-N 3.28Å; N33-T35 WeakPolarHBondContact OD1-CB 3.31Å; N33-T35 PolarHBondContact OD1-N 3.46Å; N33-T35 PolarHBondContact OD1-OG1 2.79Å; T35-K37 PolarHBondContact O-N 2.86Å
36Y63.6Low81.3Confident124 Ų12478.6 Ų78.649%0.48640%0.402SS..  trans-69.1124.4174.6177.7-97.7000110.4N17 R34 M38N17-Y36 VanDerWaalsContact OD1-CE2 3.29Å; N17-Y36 WeakPolarHBondContact OD1-CE2 3.5Å; N17-Y36 PolarHBondContact OD1-OH 3.45Å; R34-Y36 PolarHBondContact O-N 2.65Å; Y36-M38 HydrophobicContact CE1-CB 4.22Å; Y36-M38 HydrophobicContact CE1-CE 3.99Å; Y36-M38 HydrophobicContact CE1-SD 4.47Å; Y36-M38 WeakPolarHBondContact OH-CE 3.22Å; Y36-M38 PolarHBondContact OH-SD 2.78Å
37K72Confident81.3Confident165 Ų16578.9 Ų78.972%0.71740%0.404SS*.  trans-122.3130.6166.2-69.5-172.2177.7-176.70108.2T35T35-K37 PolarHBondContact O-N 2.86Å
38M76.2Confident81.3Confident88 Ų8882 Ų8243%0.43342%0.424SS..  trans-70.2129.4177.8-173.671.472.100110.3Y36 V40 Q67Y36-M38 HydrophobicContact CE1-CB 4.22Å; Y36-M38 HydrophobicContact CE1-CE 3.99Å; Y36-M38 HydrophobicContact CE1-SD 4.47Å; Y36-M38 WeakPolarHBondContact OH-CE 3.22Å; Y36-M38 PolarHBondContact OH-SD 2.78Å; M38-V40 PolarHBondContact O-N 3.27Å; M38-Q67 VanDerWaalsContact CE-NE2 3.31Å; M38-Q67 HydrophobicContact SD-CG 4.12Å; M38-Q67 PolarHBondContact SD-NE2 3.03Å
39T75.1Confident81.3Confident23 Ų2380.5 Ų80.514%0.14141%0.414CS..  trans-71.8126.4170.2-51.20000109.9S21 D43 D63 A65S21-T39 PolarHBondContact OG-OG1 2.9Å; T39-D43 HydrophobicContact CG2-CB 4.32Å; T39-D63 PolarHBondContact OG1-OD2 3.08Å; T39-A65 HydrophobicContact CG2-CB 4.37Å; T39-A65 WeakPolarHBondContact O-CB 3.43Å
40V75.9Confident81.6Confident114 Ų11484.9 Ų84.969%0.69143%0.428SS*.  trans-100.1112.2173.7179.40000108M38 V42 F70M38-V40 PolarHBondContact O-N 3.27Å; V40-V42 PolarHBondContact O-N 2.71Å; V40-V42 VanDerWaalsContact O-N 3.12Å; V40-F70 HydrophobicContact CG1-CE1 4.37Å; V40-F70 HydrophobicContact CG1-CZ 4.01Å
41G75.4Confident82.2Confident9 Ų985.3 Ų85.39%0.09342%0.416CS..SBendtrans73.6-98.6-178.600000113.1A65G41-A65 WeakPolarHBondContact O-CB 3.43Å; G41-A65 PolarHBondContact O-N 3.47Å
42V83.3Confident82.9Confident43 Ų4381.8 Ų81.826%0.26141%0.406SS..EExtended strand (participates in β ladder)trans-145.5141.4-178.568.20000110.7V40 W62 D63 V64 Y77V40-V42 PolarHBondContact O-N 2.71Å; V40-V42 VanDerWaalsContact O-N 3.12Å; V42-W62 HydrophobicContact CG2-CB 4.4Å; V42-W62 HydrophobicContact CG2-CE3 3.86Å; V42-D63 VanDerWaalsContact CA-O 3.32Å; V42-D63 WeakPolarHBondContact CA-O 3.37Å; V42-D63 WeakPolarHBondContact CG2-O 3.14Å; V42-V64 HydrophobicContact CG2-CG2 4.43Å; V42-Y77 HydrophobicContact CB-CD1 4.23Å; V42-Y77 HydrophobicContact CB-CD2 4.37Å; V42-Y77 HydrophobicContact CB-CE1 4.05Å; V42-Y77 HydrophobicContact CB-CE2 4.17Å; V42-Y77 HydrophobicContact CB-CG 4.39Å; V42-Y77 HydrophobicContact CG1-CD1 3.82Å; V42-Y77 HydrophobicContact CG1-CE1 3.39Å; V42-Y77 HydrophobicContact CG1-CE2 4.34Å; V42-Y77 HydrophobicContact CG1-CG 4.48Å
43D88.6Confident83.8Confident93 Ų9386.8 Ų86.850%0.49744%0.435SS..EExtended strand (participates in β ladder)trans-114.2148.8169-165.713.3000110.6T39 D63T39-D43 HydrophobicContact CG2-CB 4.32Å; D43-D63 HydrophobicContact CB-CB 4.28Å; D43-D63 PolarHBondContact N-O 2.91Å; D43-D63 PolarHBondContact O-N 3.33Å
44F89Confident84.7Confident99 Ų9988.5 Ų88.543%0.43444%0.438SS..EExtended strand (participates in β ladder)trans-118.7129.6-175.3172.8-95.3000110.7L46 Q60 L61 W62F44-L46 HydrophobicContact CE1-CB 4.29Å; F44-L46 HydrophobicContact CZ-CB 4.28Å; F44-Q60 HydrophobicContact CE2-CB 3.75Å; F44-Q60 HydrophobicContact CE2-CG 3.68Å; F44-Q60 HydrophobicContact CZ-CB 4.41Å; F44-Q60 HydrophobicContact CZ-CG 3.93Å; F44-L61 WeakPolarHBondContact CA-O 3.21Å; F44-W62 HydrophobicContact CD2-CZ2 4.47Å; F44-W62 AromaticContact CD2-NE1 3.91Å
45S93.8Very high86.1Confident27 Ų2781 Ų8119%0.18941%0.412CS..EExtended strand (participates in β ladder)trans-132.4149.9171.2-71.10000111.5L61S45-L61 PolarHBondContact N-O 3.2Å; S45-L61 PolarHBondContact O-N 2.88Å
46L94.7Very high87.4Confident74 Ų7479.2 Ų79.239%0.38740%0.397SS..EExtended strand (participates in β ladder)trans-120.4129177.3-175.471000109.9F44 R58 V59 Q60F44-L46 HydrophobicContact CE1-CB 4.29Å; F44-L46 HydrophobicContact CZ-CB 4.28Å; L46-R58 HydrophobicContact CD1-CB 4.32Å; L46-V59 WeakPolarHBondContact CA-O 3.38Å; L46-Q60 HydrophobicContact CD1-CG 3.86Å
47K95.6Very high89Confident45 Ų4573.3 Ų73.320%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-126.1130.7169.7178.2160.7175.7178.50110.1Y27 V28 L49 V59 D163Y27-K47 HydrophobicContact CD1-CD 3.93Å; Y27-K47 HydrophobicContact CD2-CD 4.29Å; Y27-K47 HydrophobicContact CE1-CB 4.4Å; Y27-K47 HydrophobicContact CE1-CD 3.67Å; Y27-K47 HydrophobicContact CE1-CG 4.38Å; Y27-K47 HydrophobicContact CE2-CD 4.05Å; Y27-K47 VanDerWaalsContact CE2-NZ 3.33Å; Y27-K47 HydrophobicContact CG-CD 4.23Å; Y27-K47 VanDerWaalsContact O-CD 3.32Å; Y27-K47 WeakPolarHBondContact O-CD 3.49Å; Y27-K47 WeakPolarHBondContact O-CE 3.48Å; Y27-K47 PolarHBondContact O-NZ 2.83Å; V28-K47 HydrophobicContact CG2-CB 4.4Å; K47-L49 HydrophobicContact CD-CD2 4.2Å; K47-L49 HydrophobicContact CG-CD2 3.95Å; K47-V59 PolarHBondContact N-O 2.87Å; K47-V59 PolarHBondContact O-N 3.21Å; K47-D163 IonicContact NZ-OD1 2.75Å
48T96.2Very high90.2Very high71 Ų7169.8 Ų69.844%0.43636%0.356SS..EExtended strand (participates in β ladder)trans-100.6127.4175.5-58.40000109.6R58T48-R58 HydrophobicContact CG2-CG 4.37Å
49L95.8Very high91.3Very high28 Ų2865.6 Ų65.615%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-108.6132.8176.3-50176.9000109.1K47 W51 K56 V57 V59 V170K47-L49 HydrophobicContact CD-CD2 4.2Å; K47-L49 HydrophobicContact CG-CD2 3.95Å; L49-W51 PolarHBondContact O-N 3.08Å; L49-K56 WeakPolarHBondContact O-CA 3.48Å; L49-V57 HydrophobicContact CB-CB 4.29Å; L49-V57 PolarHBondContact N-O 2.79Å; L49-V57 PolarHBondContact O-N 2.95Å; L49-V59 HydrophobicContact CD1-CG2 3.97Å; L49-V59 HydrophobicContact CG-CG2 4.35Å; L49-V170 HydrophobicContact CD1-CG2 4.35Å
50H94.8Very high92.3Very high142 Ų14266.4 Ų66.466%0.65734%0.337SS*.EExtended strand (participates in β ladder)trans-81.6105.9163.7-64.891.6000107K56H50-K56 WeakPolarHBondContact NE2-CE 3.49Å
51W94.9Very high93.3Very high57 Ų5761 Ų6122%0.21631%0.305CS..EExtended strand (participates in β ladder)trans-87.3-42.7-171.1-166.5-107.7000111.9L49 E55 V57 R167 V170 E171 L174L49-W51 PolarHBondContact O-N 3.08Å; W51-E55 HydrophobicContact CB-CB 4.14Å; W51-E55 WeakPolarHBondContact CB-O 3.15Å; W51-E55 PolarHBondContact N-O 3.34Å; W51-V57 HydrophobicContact CB-CG2 3.83Å; W51-V57 HydrophobicContact CD2-CG2 4.23Å; W51-V57 HydrophobicContact CE3-CG2 4.38Å; W51-V57 HydrophobicContact CG-CG2 3.99Å; W51-R167 HydrophobicContact CH2-CG 4.01Å; W51-R167 HydrophobicContact CZ3-CG 4.37Å; W51-V170 HydrophobicContact CD2-CG1 4.48Å; W51-V170 HydrophobicContact CE3-CG1 4.02Å; W51-V170 HydrophobicContact CH2-CB 4.11Å; W51-V170 HydrophobicContact CH2-CG1 3.71Å; W51-V170 HydrophobicContact CZ2-CG1 4.2Å; W51-V170 HydrophobicContact CZ3-CB 4.15Å; W51-V170 HydrophobicContact CZ3-CG1 3.61Å; W51-E171 HydrophobicContact CH2-CG 3.66Å; W51-E171 HydrophobicContact CZ2-CG 3.5Å; W51-L174 HydrophobicContact CD2-CD1 4.16Å; W51-L174 HydrophobicContact CG-CD1 4.32Å; W51-L174 HydrophobicContact CZ2-CD1 4.18Å
52S93.3Very high94.3Very high57 Ų5763.4 Ų63.440%0.39931%0.311SS..EExtended strand (participates in β ladder)trans-151.7178.2171.770.40000109.3K54 E55S52-K54 PolarHBondContact O-N 2.73Å; S52-K54 PolarHBondContact OG-N 3.3Å; S52-E55 PolarHBondContact N-O 2.68Å; S52-E55 PolarHBondContact O-N 3.44Å; S52-E55 VanDerWaalsContact O-O 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.32Å; S52-E55 PolarHBondContact OG-N 3.01Å; S52-E55 VanDerWaalsContact OG-N 3.13Å
53D91.4Very high94.8Very high173 Ų17361.5 Ų61.593%0.92530%0.299SS*.THydrogen-bonded Turntrans-58.7-20.2176.3-62.1-25.3000113.4
54K93.5Very high94.8Very high126 Ų12657.2 Ų57.255%0.54828%0.276SS..THydrogen-bonded Turntrans-116.1-7.7-177.7-62.1-177.4-177.3177.90113.6K4 S52K4-K54 PolarHBondContact N-O 3.14Å; S52-K54 PolarHBondContact O-N 2.73Å; S52-K54 PolarHBondContact OG-N 3.3Å
55E95.2Very high94.6Very high50 Ų5052.7 Ų52.723%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-127.8133.7-174.2-63.7-173.2110.600113.1K4 H6 W51 S52K4-E55 HydrophobicContact CB-CG 4.21Å; K4-E55 HydrophobicContact CD-CG 4.33Å; K4-E55 WeakPolarHBondContact CD-OE1 3.45Å; K4-E55 IonicContact NZ-OE1 2.64Å; K4-E55 PolarHBondContact NZ-OE1 3.04Å; K4-E55 VanDerWaalsContact NZ-OE1 3.16Å; K4-E55 WeakPolarHBondContact O-CA 3.47Å; H6-E55 IonicContact CD2-OE1 2.73Å; H6-E55 IonicContact CE1-OE1 2.63Å; H6-E55 IonicContact NE2-OE1 2.97Å; H6-E55 PolarHBondContact NE2-OE1 2.91Å; W51-E55 HydrophobicContact CB-CB 4.14Å; W51-E55 WeakPolarHBondContact CB-O 3.15Å; W51-E55 PolarHBondContact N-O 3.34Å; S52-E55 PolarHBondContact N-O 2.68Å; S52-E55 PolarHBondContact O-N 3.44Å; S52-E55 VanDerWaalsContact O-O 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.32Å; S52-E55 PolarHBondContact OG-N 3.01Å; S52-E55 VanDerWaalsContact OG-N 3.13Å
56K96.4Very high93.6Very high56 Ų5651.8 Ų51.824%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-118142168.1-71.7-170.5-176.2161.80110.5M3 K4 E5 H6 L49 H50M3-K56 HydrophobicContact CE-CD 4.25Å; M3-K56 VanDerWaalsContact CE-CE 3.45Å; M3-K56 HydrophobicContact CG-CD 4.41Å; M3-K56 HydrophobicContact CG-CG 4.18Å; M3-K56 HydrophobicContact SD-CB 4.43Å; M3-K56 HydrophobicContact SD-CD 3.27Å; M3-K56 WeakPolarHBondContact SD-CD 3.23Å; M3-K56 WeakPolarHBondContact SD-CE 3.31Å; M3-K56 HydrophobicContact SD-CG 3.65Å; M3-K56 PolarHBondContact SD-NZ 2.99Å; K4-K56 PolarHBondContact O-N 3.37Å; E5-K56 WeakPolarHBondContact CA-O 3.49Å; H6-K56 PolarHBondContact N-O 3.33Å; L49-K56 WeakPolarHBondContact O-CA 3.48Å; H50-K56 WeakPolarHBondContact NE2-CE 3.49Å
57V97.9Very high92.5Very high0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-119.7116.5177.4-179.40000108.9H6 L8 L49 W51 V59 V170 L174H6-V57 HydrophobicContact CB-CG2 4.23Å; L8-V57 HydrophobicContact CD1-CG1 3.47Å; L8-V57 VanDerWaalsContact CD1-CG1 3.47Å; L8-V57 HydrophobicContact CG-CG1 3.81Å; L49-V57 HydrophobicContact CB-CB 4.29Å; L49-V57 PolarHBondContact N-O 2.79Å; L49-V57 PolarHBondContact O-N 2.95Å; W51-V57 HydrophobicContact CB-CG2 3.83Å; W51-V57 HydrophobicContact CD2-CG2 4.23Å; W51-V57 HydrophobicContact CE3-CG2 4.38Å; W51-V57 HydrophobicContact CG-CG2 3.99Å; V57-V59 HydrophobicContact CG1-CG2 3.88Å; V57-V170 HydrophobicContact CG1-CG1 4.01Å; V57-V170 HydrophobicContact CG2-CG1 4.32Å; V57-L174 HydrophobicContact CG2-CD1 3.94Å
58R97.5Very high90.9Very high91 Ų9155.5 Ų55.534%0.34327%0.268SS..EExtended strand (participates in β ladder)trans-93.6110.8171.1-76.217339.3171.7-7.4109.1H6 L7 L8 L46 T48H6-R58 PolarHBondContact O-N 3.06Å; L7-R58 WeakPolarHBondContact CA-O 3.34Å; L7-R58 HydrophobicContact CD1-CB 3.74Å; L8-R58 PolarHBondContact N-O 3.17Å; L46-R58 HydrophobicContact CD1-CB 4.32Å; T48-R58 HydrophobicContact CG2-CG 4.37Å
59V98.2Very high89.3Confident0 Ų062 Ų620%029%0.285CS..EExtended strand (participates in β ladder)trans-96.7115.4179-174.10000109.7I10 L46 K47 L49 V57 L61 M166 V170I10-V59 HydrophobicContact CB-CG1 4.4Å; I10-V59 HydrophobicContact CD1-CG1 3.7Å; I10-V59 HydrophobicContact CG1-CG1 4.14Å; L46-V59 WeakPolarHBondContact CA-O 3.38Å; K47-V59 PolarHBondContact N-O 2.87Å; K47-V59 PolarHBondContact O-N 3.21Å; L49-V59 HydrophobicContact CD1-CG2 3.97Å; L49-V59 HydrophobicContact CG-CG2 4.35Å; V57-V59 HydrophobicContact CG1-CG2 3.88Å; V59-L61 HydrophobicContact CG1-CD2 3.76Å; V59-L61 HydrophobicContact CG1-CG 4.05Å; V59-M166 HydrophobicContact CG1-CE 4.17Å; V59-V170 HydrophobicContact CG2-CG2 4.19Å
60Q97.7Very high87.7Confident40 Ų4063.6 Ų63.619%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-90111.2169.3-71-177.6-27.900108.9L7 L8 I10 F44 L46L7-Q60 HydrophobicContact CD1-CG 3.84Å; L8-Q60 PolarHBondContact O-N 3.13Å; I10-Q60 PolarHBondContact N-O 3.38Å; F44-Q60 HydrophobicContact CE2-CB 3.75Å; F44-Q60 HydrophobicContact CE2-CG 3.68Å; F44-Q60 HydrophobicContact CZ-CB 4.41Å; F44-Q60 HydrophobicContact CZ-CG 3.93Å; L46-Q60 HydrophobicContact CD1-CG 3.86Å
61L97.4Very high86.2Confident1 Ų159.8 Ų59.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-95.9119.6179.8-59.5160.8000108.5I12 V24 Y27 V28 F44 S45 V59 M166I12-L61 HydrophobicContact CD1-CD2 4.1Å; V24-L61 HydrophobicContact CG1-CB 4.06Å; V24-L61 HydrophobicContact CG1-CD1 4Å; V24-L61 HydrophobicContact CG2-CB 4.4Å; Y27-L61 HydrophobicContact CD1-CD1 3.72Å; Y27-L61 HydrophobicContact CD1-CD2 4.36Å; Y27-L61 HydrophobicContact CE1-CD1 4.21Å; Y27-L61 HydrophobicContact CE1-CD2 4.47Å; V28-L61 HydrophobicContact CG2-CD1 3.49Å; V28-L61 VanDerWaalsContact CG2-CD1 3.49Å; F44-L61 WeakPolarHBondContact CA-O 3.21Å; S45-L61 PolarHBondContact N-O 3.2Å; S45-L61 PolarHBondContact O-N 2.88Å; V59-L61 HydrophobicContact CG1-CD2 3.76Å; V59-L61 HydrophobicContact CG1-CG 4.05Å; L61-M166 HydrophobicContact CD2-CE 3.76Å
62W95.3Very high84.7Confident59 Ų5962 Ų6222%0.22330%0.301CS..EExtended strand (participates in β ladder)trans-10795.9177.7-71.565.8000108.4K9 I10 L11 I12 V42 F44 V64 Y77K9-W62 HydrophobicContact CD-CZ2 4.37Å; K9-W62 HydrophobicContact CG-CG 4.41Å; I10-W62 PolarHBondContact O-N 3.04Å; L11-W62 HydrophobicContact CD2-CB 3.96Å; L11-W62 HydrophobicContact CD2-CG 4.48Å; I12-W62 PolarHBondContact N-O 2.93Å; V42-W62 HydrophobicContact CG2-CB 4.4Å; V42-W62 HydrophobicContact CG2-CE3 3.86Å; F44-W62 HydrophobicContact CD2-CZ2 4.47Å; F44-W62 AromaticContact CD2-NE1 3.91Å; W62-V64 PolarHBondContact O-N 2.92Å; W62-Y77 HydrophobicContact CE3-CD1 4.46Å; W62-Y77 HydrophobicContact CZ3-CD1 4.15Å
63D93.3Very high83.5Confident2 Ų263.5 Ų63.51%0.01130%0.303CS..EExtended strand (participates in β ladder)trans-76.5102.3175.9179.333.7000109.5K20 S21 V24 T39 V42 D43K20-D63 VanDerWaalsContact CB-OD1 3.25Å; K20-D63 WeakPolarHBondContact CB-OD1 3.49Å; S21-D63 WeakPolarHBondContact CA-OD2 3.43Å; S21-D63 WeakPolarHBondContact CB-OD2 3.49Å; S21-D63 PolarHBondContact OG-OD2 3.11Å; V24-D63 HydrophobicContact CG2-CB 4.17Å; T39-D63 PolarHBondContact OG1-OD2 3.08Å; V42-D63 VanDerWaalsContact CA-O 3.32Å; V42-D63 WeakPolarHBondContact CA-O 3.37Å; V42-D63 WeakPolarHBondContact CG2-O 3.14Å; D43-D63 HydrophobicContact CB-CB 4.28Å; D43-D63 PolarHBondContact N-O 2.91Å; D43-D63 PolarHBondContact O-N 3.33Å
64V89.4Confident82.5Confident3 Ų355.4 Ų55.42%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-89130.2-176.4-177.10000109.3I12 I13 K20 V42 W62 G66 F78I12-V64 PolarHBondContact O-N 2.84Å; I12-V64 VanDerWaalsContact O-N 3.07Å; I13-V64 HydrophobicContact CG2-CB 4.13Å; I13-V64 HydrophobicContact CG2-CG2 4.09Å; K20-V64 WeakPolarHBondContact CE-O 3.38Å; V42-V64 HydrophobicContact CG2-CG2 4.43Å; W62-V64 PolarHBondContact O-N 2.92Å; V64-G66 PolarHBondContact O-N 3.06Å; V64-F78 HydrophobicContact CG2-CE1 4.33Å
65A84.1Confident81.6Confident5 Ų557.7 Ų57.74%0.04127%0.265CS..  trans-57129.917500000110.7T39 G41 Q67 F70T39-A65 HydrophobicContact CG2-CB 4.37Å; T39-A65 WeakPolarHBondContact O-CB 3.43Å; G41-A65 WeakPolarHBondContact O-CB 3.43Å; G41-A65 PolarHBondContact O-N 3.47Å; A65-Q67 PolarHBondContact O-N 2.98Å; A65-F70 HydrophobicContact CB-CB 4.47Å; A65-F70 HydrophobicContact CB-CD2 3.72Å; A65-F70 HydrophobicContact CB-CE2 4.38Å; A65-F70 HydrophobicContact CB-CG 4.36Å
66G74Confident81Confident7 Ų760.1 Ų60.17%0.07228%0.283CS..  trans-82.33.7-179.400000114.2G14 G16 V64G14-G66 VanDerWaalsContact O-CA 3.24Å; G14-G66 WeakPolarHBondContact O-CA 3.16Å; G16-G66 PolarHBondContact N-O 3.16Å; V64-G66 PolarHBondContact O-N 3.06Å
67Q70.8Confident80.4Confident49 Ų4959.4 Ų59.423%0.22928%0.279CS..SBendtrans-84137.8-178.1-69.9-165.642.900111.7M38 A65 R69 F70M38-Q67 VanDerWaalsContact CE-NE2 3.31Å; M38-Q67 HydrophobicContact SD-CG 4.12Å; M38-Q67 PolarHBondContact SD-NE2 3.03Å; A65-Q67 PolarHBondContact O-N 2.98Å; Q67-R69 PolarHBondContact O-N 3.45Å; Q67-R69 VanDerWaalsContact O-N 3.07Å; Q67-F70 HydrophobicContact CB-CD2 3.99Å; Q67-F70 HydrophobicContact CB-CE2 4.33Å; Q67-F70 PolarHBondContact O-N 2.79Å
68E62.2Low80.1Confident148 Ų14859.4 Ų59.469%0.69228%0.279SS*.G310 helixtrans-54.5-31.8179.7-65.3-179.2172.800113.4F70 V71E68-F70 PolarHBondContact O-N 3.1Å; E68-F70 VanDerWaalsContact O-N 3.08Å; E68-V71 WeakPolarHBondContact O-CB 3.33Å; E68-V71 VanDerWaalsContact O-CG2 3.31Å; E68-V71 WeakPolarHBondContact O-CG2 3.3Å; E68-V71 PolarHBondContact O-N 2.87Å; E68-V71 VanDerWaalsContact O-N 3.1Å
69R61.8Low79.7Confident208 Ų20863 Ų6379%0.78530%0.297SS*.G310 helixtrans-62.1-18.2179-56.6-176.2-154.9177.86.8114Q67Q67-R69 PolarHBondContact O-N 3.45Å; Q67-R69 VanDerWaalsContact O-N 3.07Å
70F62.9Low79.4Confident62 Ų6265.7 Ų65.727%0.27233%0.325SS..G310 helixtrans-1073.1179.9-57.7-64.7000113.5V40 A65 Q67 E68 S72 M73V40-F70 HydrophobicContact CG1-CE1 4.37Å; V40-F70 HydrophobicContact CG1-CZ 4.01Å; A65-F70 HydrophobicContact CB-CB 4.47Å; A65-F70 HydrophobicContact CB-CD2 3.72Å; A65-F70 HydrophobicContact CB-CE2 4.38Å; A65-F70 HydrophobicContact CB-CG 4.36Å; Q67-F70 HydrophobicContact CB-CD2 3.99Å; Q67-F70 HydrophobicContact CB-CE2 4.33Å; Q67-F70 PolarHBondContact O-N 2.79Å; E68-F70 PolarHBondContact O-N 3.1Å; E68-F70 VanDerWaalsContact O-N 3.08Å; F70-S72 VanDerWaalsContact C-N 3.25Å; F70-S72 PolarHBondContact O-N 3.45Å; F70-M73 PolarHBondContact O-N 2.79Å; F70-M73 VanDerWaalsContact O-N 3.07Å
71V62.3Low79.3Confident61 Ų6164 Ų6437%0.3732%0.318SS..G310 helixtrans-60.8-32.2-176.8171.20000112.3E68 M73 T74E68-V71 WeakPolarHBondContact O-CB 3.33Å; E68-V71 VanDerWaalsContact O-CG2 3.31Å; E68-V71 WeakPolarHBondContact O-CG2 3.3Å; E68-V71 PolarHBondContact O-N 2.87Å; E68-V71 VanDerWaalsContact O-N 3.1Å; V71-M73 PolarHBondContact O-N 3.47Å; V71-T74 WeakPolarHBondContact O-CB 3.18Å; V71-T74 VanDerWaalsContact O-CG2 3.32Å; V71-T74 WeakPolarHBondContact O-CG2 3.35Å; V71-T74 PolarHBondContact O-N 2.9Å; V71-T74 PolarHBondContact O-OG1 2.85Å
72S63.8Low79.3Confident105 Ų10565.3 Ų65.373%0.73433%0.326SS*.G310 helixtrans-63-23.6177.457.40000113.9F70F70-S72 VanDerWaalsContact C-N 3.25Å; F70-S72 PolarHBondContact O-N 3.45Å
73M68.4Low79.5Confident88 Ų8862.5 Ų62.543%0.43332%0.315SS..G310 helixtrans-91.4-9.9-176.8-150.564.667.400113.7F70 V71 R75 V76 Y77F70-M73 PolarHBondContact O-N 2.79Å; F70-M73 VanDerWaalsContact O-N 3.07Å; V71-M73 PolarHBondContact O-N 3.47Å; M73-R75 VanDerWaalsContact C-N 3.26Å; M73-R75 PolarHBondContact O-N 3.39Å; M73-V76 PolarHBondContact O-N 3.36Å; M73-V76 VanDerWaalsContact O-N 3.13Å; M73-Y77 HydrophobicContact CB-CD2 4.39Å; M73-Y77 HydrophobicContact CB-CE2 3.66Å; M73-Y77 HydrophobicContact CG-CD2 4.46Å; M73-Y77 HydrophobicContact CG-CE1 4.28Å; M73-Y77 HydrophobicContact CG-CE2 3.6Å; M73-Y77 VanDerWaalsContact CG-CZ 3.49Å; M73-Y77 WeakPolarHBondContact CG-OH 3.42Å; M73-Y77 WeakPolarHBondContact O-CD2 3.23Å
74T71.5Confident79.7Confident2 Ų262.4 Ų62.41%0.01232%0.315CS..Hα-helixtrans-55.9-35.2-176.751.40000113.7V71 V76 Y77 F78 K109V71-T74 WeakPolarHBondContact O-CB 3.18Å; V71-T74 VanDerWaalsContact O-CG2 3.32Å; V71-T74 WeakPolarHBondContact O-CG2 3.35Å; V71-T74 PolarHBondContact O-N 2.9Å; V71-T74 PolarHBondContact O-OG1 2.85Å; T74-V76 VanDerWaalsContact C-N 3.26Å; T74-V76 PolarHBondContact O-N 3.27Å; T74-Y77 PolarHBondContact O-N 3.35Å; T74-Y77 VanDerWaalsContact O-N 3.12Å; T74-F78 HydrophobicContact CG2-CE1 4.34Å; T74-F78 HydrophobicContact CG2-CZ 4.46Å; T74-F78 WeakPolarHBondContact O-CB 3.44Å; T74-F78 WeakPolarHBondContact O-CD1 3.39Å; T74-F78 WeakPolarHBondContact O-CG 2.96Å; T74-F78 PolarHBondContact O-N 2.63Å; T74-K109 PolarHBondContact OG1-NZ 2.94Å
75R74.1Confident80.2Confident175 Ų17562.2 Ų62.266%0.6631%0.314SS*.Hα-helixtrans-58.1-38.2179.4-129-177.5-159.5-89.2-2.5112.4M73 K109M73-R75 VanDerWaalsContact C-N 3.26Å; M73-R75 PolarHBondContact O-N 3.39Å; R75-K109 HydrophobicContact CG-CD 4.06Å; R75-K109 HydrophobicContact CG-CG 3.98Å
76V81.3Confident80.8Confident100 Ų10062 Ų6261%0.60631%0.312SS*.Hα-helixtrans-71.2-42178.9-1790000110.1M73 T74M73-V76 PolarHBondContact O-N 3.36Å; M73-V76 VanDerWaalsContact O-N 3.13Å; T74-V76 VanDerWaalsContact C-N 3.26Å; T74-V76 PolarHBondContact O-N 3.27Å
77Y84.9Confident82Confident41 Ų4161.7 Ų61.716%0.16131%0.309CS..Hα-helixtrans-71.2-33-177.4-56-40.7000113.2K9 V42 W62 M73 T74K9-Y77 WeakPolarHBondContact CE-O 3.38Å; K9-Y77 PolarHBondContact NZ-O 2.87Å; V42-Y77 HydrophobicContact CB-CD1 4.23Å; V42-Y77 HydrophobicContact CB-CD2 4.37Å; V42-Y77 HydrophobicContact CB-CE1 4.05Å; V42-Y77 HydrophobicContact CB-CE2 4.17Å; V42-Y77 HydrophobicContact CB-CG 4.39Å; V42-Y77 HydrophobicContact CG1-CD1 3.82Å; V42-Y77 HydrophobicContact CG1-CE1 3.39Å; V42-Y77 HydrophobicContact CG1-CE2 4.34Å; V42-Y77 HydrophobicContact CG1-CG 4.48Å; W62-Y77 HydrophobicContact CE3-CD1 4.46Å; W62-Y77 HydrophobicContact CZ3-CD1 4.15Å; M73-Y77 HydrophobicContact CB-CD2 4.39Å; M73-Y77 HydrophobicContact CB-CE2 3.66Å; M73-Y77 HydrophobicContact CG-CD2 4.46Å; M73-Y77 HydrophobicContact CG-CE1 4.28Å; M73-Y77 HydrophobicContact CG-CE2 3.6Å; M73-Y77 VanDerWaalsContact CG-CZ 3.49Å; M73-Y77 WeakPolarHBondContact CG-OH 3.42Å; M73-Y77 WeakPolarHBondContact O-CD2 3.23Å; T74-Y77 PolarHBondContact O-N 3.35Å; T74-Y77 VanDerWaalsContact O-N 3.12Å
78F90.6Very high83.3Confident0 Ų059.3 Ų59.30%030%0.298CS..Hα-helixtrans-78.9-22.9-174-7525.8000112.8L11 I13 V64 T74 G80 A81 W102 L106 K109 A110L11-F78 HydrophobicContact CD1-CB 4.05Å; L11-F78 HydrophobicContact CD1-CD1 3.62Å; L11-F78 HydrophobicContact CD1-CD2 4.07Å; L11-F78 HydrophobicContact CD1-CE1 4.08Å; L11-F78 HydrophobicContact CD1-CE2 4.5Å; L11-F78 HydrophobicContact CD1-CG 3.63Å; L11-F78 HydrophobicContact CD2-CD1 4.2Å; I13-F78 HydrophobicContact CG2-CE1 3.99Å; I13-F78 HydrophobicContact CG2-CZ 3.9Å; V64-F78 HydrophobicContact CG2-CE1 4.33Å; T74-F78 HydrophobicContact CG2-CE1 4.34Å; T74-F78 HydrophobicContact CG2-CZ 4.46Å; T74-F78 WeakPolarHBondContact O-CB 3.44Å; T74-F78 WeakPolarHBondContact O-CD1 3.39Å; T74-F78 WeakPolarHBondContact O-CG 2.96Å; T74-F78 PolarHBondContact O-N 2.63Å; F78-G80 PolarHBondContact O-N 2.8Å; F78-A81 VanDerWaalsContact O-CB 3.25Å; F78-A81 WeakPolarHBondContact O-CB 3.07Å; F78-A81 PolarHBondContact O-N 3.15Å; F78-W102 HydrophobicContact CZ-CZ3 4.24Å; F78-L106 HydrophobicContact CD2-CD1 3.93Å; F78-L106 HydrophobicContact CE2-CB 4.2Å; F78-L106 HydrophobicContact CE2-CD1 3.99Å; F78-K109 HydrophobicContact CB-CB 4.13Å; F78-K109 HydrophobicContact CD2-CB 3.86Å; F78-K109 HydrophobicContact CD2-CD 4.21Å; F78-K109 HydrophobicContact CG-CB 4.42Å; F78-A110 HydrophobicContact CB-CB 4.36Å
79K89.6Confident85Confident166 Ų16652.9 Ų52.972%0.72227%0.268SS*.THydrogen-bonded Turntrans-55.3127.7-179.3-173.9177.6-180179.80111.5K9 A81K9-K79 PolarHBondContact NZ-O 3.25Å; K79-A81 PolarHBondContact O-N 3.19Å
80G91.6Very high86.7Confident58 Ų5843 Ų4360%0.59823%0.231SC*.THydrogen-bonded Turntrans749.6177.900000114.7F78F78-G80 PolarHBondContact O-N 2.8Å
81A96.7Very high88.3Confident5 Ų542.9 Ų42.94%0.04124%0.235CC..  trans-64.1141.7166.900000110.2K9 L11 F78 K79 I118K9-A81 HydrophobicContact CG-CB 4.41Å; L11-A81 HydrophobicContact CD1-CB 3.61Å; L11-A81 HydrophobicContact CD2-CB 4.15Å; L11-A81 HydrophobicContact CG-CB 3.6Å; F78-A81 VanDerWaalsContact O-CB 3.25Å; F78-A81 WeakPolarHBondContact O-CB 3.07Å; F78-A81 PolarHBondContact O-N 3.15Å; K79-A81 PolarHBondContact O-N 3.19Å; A81-I118 HydrophobicContact CB-CD1 3.83Å; A81-I118 WeakPolarHBondContact O-CG2 3.49Å
82V97.5Very high89.9Confident27 Ų2742.8 Ų42.816%0.16423%0.232CC..  trans-114.4-8.2178-63.70000112.3L8 K9 P119 I173L8-V82 HydrophobicContact CB-CG2 3.98Å; L8-V82 HydrophobicContact CD2-CG2 4.16Å; K9-V82 WeakPolarHBondContact O-CG2 3.22Å; K9-V82 PolarHBondContact O-N 2.7Å; V82-P119 VanDerWaalsContact O-CD 3.28Å; V82-P119 WeakPolarHBondContact O-CD 3.39Å; V82-P119 WeakPolarHBondContact O-CG 3.3Å; V82-I173 HydrophobicContact CB-CG2 4.1Å; V82-I173 HydrophobicContact CG2-CD1 4.41Å; V82-I173 HydrophobicContact CG2-CG2 3.9Å
83G98.3Very high91.4Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-164.2172.1169.100000111.8I10 L11 P119I10-G83 WeakPolarHBondContact CA-O 3.28Å; L11-G83 PolarHBondContact N-O 2.76Å; L11-G83 VanDerWaalsContact N-O 3.11Å; G83-P119 CarbonylContact C-O 3.56Å; G83-P119 WeakPolarHBondContact CA-O 3.43Å
84S98.4Very high92.7Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-144.8148.4-178-1710000112.5L11 P119 C120 I121L11-S84 CarbonylContact O-C 3.53Å; L11-S84 WeakPolarHBondContact O-CA 3.39Å; S84-P119 PolarHBondContact N-O 3.07Å; S84-C120 VanDerWaalsContact O-CA 3.31Å; S84-C120 WeakPolarHBondContact O-CA 3.36Å; S84-I121 PolarHBondContact O-N 3.27Å
85V98.7Very high93.9Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-112.2117.8164.8-178.50000107I10 L11 I12 I13 M87 I121 L123 M166 L169I10-V85 HydrophobicContact CG2-CG2 4.17Å; L11-V85 PolarHBondContact O-N 2.86Å; I12-V85 WeakPolarHBondContact CA-O 3.24Å; I12-V85 HydrophobicContact CD1-CB 3.72Å; I12-V85 HydrophobicContact CD1-CG2 3.73Å; I13-V85 WeakPolarHBondContact CG1-O 3.42Å; I13-V85 PolarHBondContact N-O 3.26Å; V85-M87 HydrophobicContact CG1-CG 3.83Å; V85-M87 HydrophobicContact CG1-SD 4.48Å; V85-I121 HydrophobicContact CB-CG1 4.4Å; V85-I121 HydrophobicContact CG1-CG1 4.34Å; V85-I121 HydrophobicContact CG2-CD1 4.1Å; V85-I121 HydrophobicContact CG2-CG1 3.98Å; V85-L123 HydrophobicContact CG1-CD1 3.39Å; V85-L123 HydrophobicContact CG1-CG 3.67Å; V85-M166 HydrophobicContact CG2-SD 3.88Å; V85-L169 HydrophobicContact CG2-CD2 3.69Å
86L98.5Very high95Very high0 Ų031.8 Ų31.80%019%0.186CC..EExtended strand (participates in β ladder)trans-99.7126.8169.618059.4000109.1I13 C99 W102 K103 I121 L122 L123 F148I13-L86 HydrophobicContact CB-CD1 4.45Å; I13-L86 HydrophobicContact CD1-CB 4.43Å; I13-L86 HydrophobicContact CD1-CD1 4.02Å; I13-L86 HydrophobicContact CG1-CB 4.16Å; I13-L86 HydrophobicContact CG1-CD1 3.76Å; I13-L86 WeakPolarHBondContact O-CA 3.3Å; L86-C99 HydrophobicContact CD2-CB 3.68Å; L86-C99 WeakPolarHBondContact CD2-O 3.18Å; L86-C99 HydrophobicContact CG-CB 4.36Å; L86-W102 HydrophobicContact CD1-CB 3.53Å; L86-W102 HydrophobicContact CD1-CG 3.9Å; L86-W102 HydrophobicContact CD2-CB 4.18Å; L86-K103 HydrophobicContact CD2-CB 4.48Å; L86-I121 PolarHBondContact N-O 2.84Å; L86-L122 HydrophobicContact CB-CD1 4.18Å; L86-L122 HydrophobicContact CD2-CD1 4.05Å; L86-L122 HydrophobicContact CG-CD1 3.91Å; L86-L122 CarbonylContact O-C 3.59Å; L86-L122 WeakPolarHBondContact O-CA 3.47Å; L86-L123 PolarHBondContact O-N 2.6Å; L86-F148 HydrophobicContact CB-CE1 4.1Å; L86-F148 HydrophobicContact CD2-CE1 3.74Å; L86-F148 HydrophobicContact CD2-CZ 3.6Å
87M98.4Very high95.7Very high0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-116.8143.5-177.5-56.9-170.964.400111.6I12 I13 G14 V18 K20 F23 V85 L123 N125 V156I12-M87 HydrophobicContact CG2-SD 3.98Å; I13-M87 PolarHBondContact O-N 3.08Å; G14-M87 WeakPolarHBondContact CA-O 3.4Å; V18-M87 HydrophobicContact CG2-CB 3.88Å; K20-M87 HydrophobicContact CB-SD 4.38Å; K20-M87 HydrophobicContact CG-CB 4.27Å; K20-M87 HydrophobicContact CG-CG 4.45Å; K20-M87 HydrophobicContact CG-SD 4.1Å; F23-M87 HydrophobicContact CB-CE 3.81Å; F23-M87 HydrophobicContact CB-SD 3.76Å; F23-M87 HydrophobicContact CD1-SD 4.29Å; F23-M87 HydrophobicContact CD2-CE 4.02Å; F23-M87 HydrophobicContact CD2-SD 4.34Å; F23-M87 HydrophobicContact CG-CE 4.05Å; F23-M87 HydrophobicContact CG-SD 3.89Å; V85-M87 HydrophobicContact CG1-CG 3.83Å; V85-M87 HydrophobicContact CG1-SD 4.48Å; M87-L123 WeakPolarHBondContact CA-O 3.48Å; M87-L123 HydrophobicContact CE-CB 4.49Å; M87-L123 HydrophobicContact CE-CD1 4.42Å; M87-L123 HydrophobicContact CG-CB 4.15Å; M87-L123 HydrophobicContact CG-CD1 4.35Å; M87-N125 HydrophobicContact CE-CB 3.7Å; M87-V156 HydrophobicContact CE-CG2 4.39Å
88F98.3Very high96.2Very high0 Ų033.8 Ų33.80%019%0.192CC..EExtended strand (participates in β ladder)trans-136.1167.2166.177.3-82.9000110.8V90 F96 L122 L123 A124 N125 I139F88-V90 HydrophobicContact CE2-CG1 4.4Å; F88-F96 HydrophobicContact CD1-CD2 4.13Å; F88-F96 HydrophobicContact CD2-CB 3.74Å; F88-F96 HydrophobicContact CD2-CD2 4.06Å; F88-F96 HydrophobicContact CD2-CG 4.37Å; F88-F96 AromaticContact CE1-CD2 3.88Å; F88-F96 HydrophobicContact CE1-CD2 3.88Å; F88-F96 HydrophobicContact CE1-CE2 4.38Å; F88-F96 HydrophobicContact CE2-CB 4.03Å; F88-F96 AromaticContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CG 4.27Å; F88-F96 HydrophobicContact CG-CB 4.28Å; F88-F96 HydrophobicContact CG-CD2 4.21Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.31Å; F88-L122 HydrophobicContact CD1-CD1 3.88Å; F88-L122 HydrophobicContact CD1-CD2 4.42Å; F88-L122 HydrophobicContact CD1-CG 4.13Å; F88-L122 HydrophobicContact CE1-CD1 4.26Å; F88-L122 HydrophobicContact CE1-CD2 4.01Å; F88-L122 HydrophobicContact CE1-CG 4.01Å; F88-L123 WeakPolarHBondContact CD1-O 3.37Å; F88-L123 PolarHBondContact N-O 3.01Å; F88-A124 VanDerWaalsContact CE1-CA 3.48Å; F88-A124 HydrophobicContact CE1-CB 3.56Å; F88-A124 HydrophobicContact CE2-CB 4.31Å; F88-A124 HydrophobicContact CZ-CB 3.44Å; F88-A124 VanDerWaalsContact CZ-CB 3.44Å; F88-N125 WeakPolarHBondContact O-CB 3.49Å; F88-N125 PolarHBondContact O-N 3.26Å; F88-I139 HydrophobicContact CE1-CG2 4.47Å; F88-I139 HydrophobicContact CZ-CD1 3.77Å; F88-I139 HydrophobicContact CZ-CG1 4.07Å
89D97.4Very high96.5Very high13 Ų1333.8 Ų33.87%0.0719%0.192CC..EExtended strand (participates in β ladder)trans-96.8123.4176.4177.5-9.5000109.6V18 T91 D92 S95 K126V18-D89 HydrophobicContact CG1-CB 4.43Å; D89-T91 VanDerWaalsContact CG-OG1 3.29Å; D89-T91 PolarHBondContact O-N 3.26Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.32Å; D89-T91 PolarHBondContact OD1-OG1 2.97Å; D89-T91 PolarHBondContact OD2-OG1 3Å; D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 PolarHBondContact O-N 3.05Å; D89-S95 PolarHBondContact N-OG 2.77Å; D89-S95 PolarHBondContact O-OG 3.09Å; D89-K126 HydrophobicContact CB-CD 4.44Å; D89-K126 VanDerWaalsContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CE 3.41Å; D89-K126 IonicContact OD2-NZ 2.79Å; D89-K126 PolarHBondContact OD2-NZ 2.78Å
90V97.5Very high96.8Very high1 Ų128.9 Ų28.91%0.00617%0.172CC..THydrogen-bonded Turntrans-60.2-21.6-178.9-660000114F88 A124 N125 K126 W132 A133F88-V90 HydrophobicContact CE2-CG1 4.4Å; V90-A124 HydrophobicContact CG1-CB 3.67Å; V90-N125 WeakPolarHBondContact CG1-O 3.49Å; V90-N125 WeakPolarHBondContact CG2-O 3.09Å; V90-N125 PolarHBondContact N-O 2.9Å; V90-K126 HydrophobicContact CG2-CB 4.4Å; V90-K126 VanDerWaalsContact CG2-O 3.3Å; V90-K126 WeakPolarHBondContact CG2-O 3.46Å; V90-W132 HydrophobicContact CB-CD2 3.79Å; V90-W132 HydrophobicContact CB-CE3 4.24Å; V90-W132 HydrophobicContact CB-CG 3.93Å; V90-W132 HydrophobicContact CG1-CD2 3.83Å; V90-W132 HydrophobicContact CG1-CE3 3.93Å; V90-W132 HydrophobicContact CG1-CG 4.49Å; V90-W132 HydrophobicContact CG1-CH2 3.97Å; V90-W132 HydrophobicContact CG1-CZ2 3.89Å; V90-W132 HydrophobicContact CG1-CZ3 4Å; V90-W132 HydrophobicContact CG2-CD2 4.33Å; V90-W132 HydrophobicContact CG2-CG 4.25Å; V90-W132 CarbonylContact O-C 3.58Å; V90-W132 WeakPolarHBondContact O-CA 3.17Å; V90-A133 PolarHBondContact O-N 3.02Å
91T96Very high96.9Very high58 Ų5831.8 Ų31.836%0.35617%0.17SC..THydrogen-bonded Turntrans-90.6-5.2178.867.10000113.3D89 L129D89-T91 VanDerWaalsContact CG-OG1 3.29Å; D89-T91 PolarHBondContact O-N 3.26Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.32Å; D89-T91 PolarHBondContact OD1-OG1 2.97Å; D89-T91 PolarHBondContact OD2-OG1 3Å; T91-L129 HydrophobicContact CG2-CB 3.81Å; T91-L129 HydrophobicContact CG2-CD1 3.78Å; T91-L129 HydrophobicContact CG2-CG 4.44Å
92D95.4Very high96.8Very high59 Ų5932.7 Ų32.732%0.31617%0.172SC..  trans-124.4100.5-176178.94.7000111.8D89 S94 S95 F96D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 PolarHBondContact O-N 3.05Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.99Å; D92-S94 WeakPolarHBondContact OD1-CA 3.31Å; D92-S94 VanDerWaalsContact OD1-CB 3.27Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.41Å; D92-S95 WeakPolarHBondContact O-CB 3.39Å; D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 VanDerWaalsContact O-N 3.14Å; D92-S95 PolarHBondContact O-OG 3.34Å; D92-S95 PolarHBondContact OD1-N 2.91Å; D92-F96 PolarHBondContact O-N 2.91Å
93T95.9Very high96.8Very high64 Ų6431.7 Ų31.739%0.39317%0.166SC..Hα-helixtrans-57.7-34.7176.2-51.30000113S95 F96 L97 A133T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.12Å; T93-F96 PolarHBondContact O-N 3.1Å; T93-L97 HydrophobicContact CG2-CD1 4.3Å; T93-L97 HydrophobicContact CG2-CG 4.37Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.44Å; T93-A133 VanDerWaalsContact OG1-CB 3.25Å; T93-A133 WeakPolarHBondContact OG1-CB 3.33Å
94S95.8Very high96.6Very high55 Ų5536 Ų3639%0.38519%0.186SC..Hα-helixtrans-64-40.8178.7167.60000110.8D92 F96 L97 K98D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.99Å; D92-S94 WeakPolarHBondContact OD1-CA 3.31Å; D92-S94 VanDerWaalsContact OD1-CB 3.27Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.41Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 3Å; S94-L97 PolarHBondContact O-N 3.11Å; S94-K98 WeakPolarHBondContact O-CG 3.48Å; S94-K98 PolarHBondContact O-N 2.97Å
95S96.4Very high96.3Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-62.2-36176.480.30000112.5D89 D92 T93 C99D89-S95 PolarHBondContact N-OG 2.77Å; D89-S95 PolarHBondContact O-OG 3.09Å; D92-S95 WeakPolarHBondContact O-CB 3.39Å; D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 VanDerWaalsContact O-N 3.14Å; D92-S95 PolarHBondContact O-OG 3.34Å; D92-S95 PolarHBondContact OD1-N 2.91Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.12Å; S95-C99 PolarHBondContact O-SG 2.94Å; S95-C99 VanDerWaalsContact O-SG 3.36Å
96F97.6Very high96.2Very high20 Ų2037.3 Ų37.39%0.08819%0.193CC..Hα-helixtrans-68.8-47.2174.5178.7-110.1000112.1F88 D92 T93 S94 K98 C99 L122 V134 I139 F142F88-F96 HydrophobicContact CD1-CD2 4.13Å; F88-F96 HydrophobicContact CD2-CB 3.74Å; F88-F96 HydrophobicContact CD2-CD2 4.06Å; F88-F96 HydrophobicContact CD2-CG 4.37Å; F88-F96 AromaticContact CE1-CD2 3.88Å; F88-F96 HydrophobicContact CE1-CD2 3.88Å; F88-F96 HydrophobicContact CE1-CE2 4.38Å; F88-F96 HydrophobicContact CE2-CB 4.03Å; F88-F96 AromaticContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CD2 3.82Å; F88-F96 HydrophobicContact CE2-CG 4.27Å; F88-F96 HydrophobicContact CG-CB 4.28Å; F88-F96 HydrophobicContact CG-CD2 4.21Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.31Å; D92-F96 PolarHBondContact O-N 2.91Å; T93-F96 PolarHBondContact O-N 3.1Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 3Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 2.83Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 2.8Å; F96-L122 HydrophobicContact CE2-CD2 4.42Å; F96-V134 HydrophobicContact CB-CG2 3.8Å; F96-V134 HydrophobicContact CD1-CB 4.49Å; F96-V134 HydrophobicContact CD1-CG1 3.74Å; F96-V134 HydrophobicContact CD1-CG2 3.91Å; F96-V134 HydrophobicContact CD2-CG1 4.3Å; F96-V134 HydrophobicContact CE1-CG1 3.71Å; F96-V134 HydrophobicContact CE2-CG1 4.27Å; F96-V134 HydrophobicContact CG-CG1 4.04Å; F96-V134 HydrophobicContact CG-CG2 3.87Å; F96-V134 HydrophobicContact CZ-CG1 3.98Å; F96-I139 HydrophobicContact CE2-CB 4.48Å; F96-I139 HydrophobicContact CE2-CG1 4.05Å; F96-I139 HydrophobicContact CE2-CG2 4.47Å; F96-I139 HydrophobicContact CZ-CG1 4.41Å; F96-F142 HydrophobicContact CE2-CB 4.37Å; F96-F142 HydrophobicContact CE2-CD1 4.07Å; F96-F142 HydrophobicContact CE2-CG 4.11Å; F96-F142 HydrophobicContact CZ-CB 3.78Å; F96-F142 HydrophobicContact CZ-CD1 4.19Å; F96-F142 HydrophobicContact CZ-CD2 4.07Å; F96-F142 AromaticContact CZ-CG 3.75Å; F96-F142 HydrophobicContact CZ-CG 3.75Å
97L96.1Very high96Very high117 Ų11739.5 Ų39.561%0.61320%0.204SC*.Hα-helixtrans-59.4-39.2179.4-68.5174.9000112T93 S94 C99 H100T93-L97 HydrophobicContact CG2-CD1 4.3Å; T93-L97 HydrophobicContact CG2-CG 4.37Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.44Å; S94-L97 PolarHBondContact O-N 3.11Å; L97-C99 PolarHBondContact O-N 2.9Å; L97-H100 PolarHBondContact O-N 2.83Å
98K95.6Very high95.7Very high66 Ų6643.2 Ų43.229%0.28723%0.23SC..Hα-helixtrans-66.9-15.1176.1-71.9176.6-177-178.50113.8D15 S94 F96 H100 Q101 W102D15-K98 HydrophobicContact CB-CD 4.23Å; D15-K98 IonicContact OD1-NZ 2.6Å; D15-K98 PolarHBondContact OD1-NZ 3.27Å; D15-K98 WeakPolarHBondContact OD2-CD 3.34Å; D15-K98 WeakPolarHBondContact OD2-CE 3.46Å; D15-K98 IonicContact OD2-NZ 2.78Å; D15-K98 PolarHBondContact OD2-NZ 2.86Å; S94-K98 WeakPolarHBondContact O-CG 3.48Å; S94-K98 PolarHBondContact O-N 2.97Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 2.83Å; K98-H100 PolarHBondContact O-N 3.05Å; K98-Q101 PolarHBondContact O-N 2.95Å; K98-W102 VanDerWaalsContact O-CD1 3.26Å; K98-W102 PolarHBondContact O-N 3.47Å
99C96.8Very high95.4Very high0 Ų045.5 Ų45.50%024%0.24CC..Hα-helixtrans-59.5-31.9174.8-70.70000112.2L86 S95 F96 L97 W102 K103 L122 F142L86-C99 HydrophobicContact CD2-CB 3.68Å; L86-C99 WeakPolarHBondContact CD2-O 3.18Å; L86-C99 HydrophobicContact CG-CB 4.36Å; S95-C99 PolarHBondContact O-SG 2.94Å; S95-C99 VanDerWaalsContact O-SG 3.36Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 2.8Å; L97-C99 PolarHBondContact O-N 2.9Å; C99-W102 PolarHBondContact O-N 2.64Å; C99-K103 WeakPolarHBondContact O-CB 3.35Å; C99-K103 PolarHBondContact O-N 3.28Å; C99-L122 HydrophobicContact CB-CD1 4.4Å; C99-F142 HydrophobicContact CB-CE1 3.99Å; C99-F142 HydrophobicContact CB-CZ 3.85Å
100H95.7Very high95.2Very high64 Ų6445.1 Ų45.130%0.29624%0.239SC..Hα-helixtrans-61.5-50175.9-176.758.1000111.2L97 K98 W102 K103 Q104 F142 H146L97-H100 PolarHBondContact O-N 2.83Å; K98-H100 PolarHBondContact O-N 3.05Å; H100-W102 VanDerWaalsContact C-N 3.35Å; H100-W102 PolarHBondContact O-N 3.38Å; H100-K103 PolarHBondContact O-N 2.89Å; H100-Q104 VanDerWaalsContact NE2-CD 3.33Å; H100-Q104 PolarHBondContact NE2-NE2 3.38Å; H100-Q104 WeakPolarHBondContact O-CG 3.48Å; H100-Q104 PolarHBondContact O-N 3.44Å; H100-F142 HydrophobicContact CB-CE2 4.07Å; H100-F142 HydrophobicContact CB-CZ 4.21Å; H100-H146 AromaticContact CE1-CE1 3.28Å; H100-H146 PolarHBondContact CE1-CE1 3.46Å; H100-H146 AromaticContact CE1-ND1 3.63Å; H100-H146 AromaticContact ND1-CE1 3.09Å; H100-H146 PolarHBondContact ND1-CE1 3.36Å; H100-H146 AromaticContact ND1-ND1 3.4Å; H100-H146 PolarHBondContact ND1-ND1 2.71Å; H100-H146 AromaticContact ND1-NE2 3.58Å
101Q94.2Very high95Very high118 Ų11849 Ų4955%0.55126%0.263SS*.Hα-helixtrans-62.1-42.7178.6-172.961.855.500111.6K98 K103 Q104 D105K98-Q101 PolarHBondContact O-N 2.95Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.98Å; Q101-Q104 PolarHBondContact O-N 3.31Å; Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 PolarHBondContact O-N 3.47Å
102W95Very high94.8Very high25 Ų2547 Ų4710%0.09525%0.25CS..Hα-helixtrans-62-39.5175.5-83.1109.5000112.7I13 G14 F78 L86 K98 C99 H100 D105 L106I13-W102 HydrophobicContact CB-CD2 4.49Å; I13-W102 HydrophobicContact CB-CE3 3.91Å; I13-W102 HydrophobicContact CB-CZ3 4.15Å; I13-W102 HydrophobicContact CD1-CB 4.44Å; I13-W102 HydrophobicContact CD1-CE3 4.28Å; I13-W102 HydrophobicContact CG2-CE3 4.39Å; I13-W102 HydrophobicContact CG2-CZ3 4.26Å; G14-W102 WeakPolarHBondContact O-CZ2 3.27Å; F78-W102 HydrophobicContact CZ-CZ3 4.24Å; L86-W102 HydrophobicContact CD1-CB 3.53Å; L86-W102 HydrophobicContact CD1-CG 3.9Å; L86-W102 HydrophobicContact CD2-CB 4.18Å; K98-W102 VanDerWaalsContact O-CD1 3.26Å; K98-W102 PolarHBondContact O-N 3.47Å; C99-W102 PolarHBondContact O-N 2.64Å; H100-W102 VanDerWaalsContact C-N 3.35Å; H100-W102 PolarHBondContact O-N 3.38Å; W102-D105 PolarHBondContact O-N 3.05Å; W102-L106 WeakPolarHBondContact O-CB 3.47Å; W102-L106 PolarHBondContact O-N 3.37Å
103K96.6Very high94.4Very high6 Ų650.5 Ų50.53%0.02628%0.276CS..Hα-helixtrans-68.6-44.7178.2-175.757.6167.973.30111.7L86 C99 H100 Q101 D105 L106 D107 C120 H146 F148L86-K103 HydrophobicContact CD2-CB 4.48Å; C99-K103 WeakPolarHBondContact O-CB 3.35Å; C99-K103 PolarHBondContact O-N 3.28Å; H100-K103 PolarHBondContact O-N 2.89Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.98Å; K103-D105 VanDerWaalsContact C-N 3.3Å; K103-D105 PolarHBondContact O-N 2.9Å; K103-L106 HydrophobicContact CD-CD2 4.37Å; K103-L106 WeakPolarHBondContact O-CB 3.35Å; K103-L106 PolarHBondContact O-N 3.32Å; K103-D107 IonicContact NZ-OD1 3.4Å; K103-D107 PolarHBondContact NZ-OD1 3.15Å; K103-D107 IonicContact NZ-OD2 3.63Å; K103-D107 PolarHBondContact NZ-OD2 3.42Å; K103-D107 VanDerWaalsContact O-CG 3.28Å; K103-D107 PolarHBondContact O-N 3.28Å; K103-C120 HydrophobicContact CD-CB 4.46Å; K103-H146 WeakPolarHBondContact CE-O 3.2Å; K103-H146 HydrophobicContact CG-CB 4.43Å; K103-H146 PolarHBondContact NZ-O 3.24Å; K103-F148 HydrophobicContact CB-CE2 4.35Å; K103-F148 HydrophobicContact CB-CZ 3.92Å; K103-F148 HydrophobicContact CD-CE1 4.08Å; K103-F148 HydrophobicContact CD-CE2 4.22Å; K103-F148 HydrophobicContact CD-CZ 3.8Å; K103-F148 HydrophobicContact CG-CE2 3.97Å; K103-F148 HydrophobicContact CG-CZ 3.82Å
104Q94.7Very high94Very high91 Ų9151.7 Ų51.743%0.42528%0.28SS..Hα-helixtrans-59.2-43.4173.9-73.1-179-38.700111.6H100 Q101 L106 D107 S108H100-Q104 VanDerWaalsContact NE2-CD 3.33Å; H100-Q104 PolarHBondContact NE2-NE2 3.38Å; H100-Q104 WeakPolarHBondContact O-CG 3.48Å; H100-Q104 PolarHBondContact O-N 3.44Å; Q101-Q104 PolarHBondContact O-N 3.31Å; Q104-L106 PolarHBondContact O-N 2.88Å; Q104-D107 PolarHBondContact O-N 2.98Å; Q104-S108 WeakPolarHBondContact O-CB 3.5Å; Q104-S108 PolarHBondContact O-N 2.79Å; Q104-S108 PolarHBondContact O-OG 2.85Å
105D92.6Very high93.7Very high26 Ų2651.6 Ų51.614%0.13929%0.288CS..Hα-helixtrans-63-43.9178.9-161.656.4000111.6Q101 W102 K103 S108 K109Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 PolarHBondContact O-N 3.47Å; W102-D105 PolarHBondContact O-N 3.05Å; K103-D105 VanDerWaalsContact C-N 3.3Å; K103-D105 PolarHBondContact O-N 2.9Å; D105-S108 PolarHBondContact O-N 2.86Å; D105-S108 PolarHBondContact O-OG 3.12Å; D105-K109 WeakPolarHBondContact O-CB 3.45Å; D105-K109 WeakPolarHBondContact O-CG 3.41Å; D105-K109 PolarHBondContact O-N 2.9Å; D105-K109 WeakPolarHBondContact OD1-CE 3.38Å; D105-K109 IonicContact OD1-NZ 2.76Å; D105-K109 PolarHBondContact OD1-NZ 3Å; D105-K109 IonicContact OD2-NZ 3.59Å; D105-K109 PolarHBondContact OD2-NZ 2.85Å
106L94.6Very high93.5Very high0 Ų054 Ų540%030%0.304CS..Hα-helixtrans-56.7-54.7173.8179.668.1000111.8L11 I13 F78 W102 K103 Q104 S108 K109 A110 I118 C120L11-L106 HydrophobicContact CD1-CD1 3.67Å; I13-L106 HydrophobicContact CD1-CB 4.26Å; I13-L106 HydrophobicContact CD1-CD1 4.48Å; I13-L106 HydrophobicContact CD1-CD2 4.25Å; F78-L106 HydrophobicContact CD2-CD1 3.93Å; F78-L106 HydrophobicContact CE2-CB 4.2Å; F78-L106 HydrophobicContact CE2-CD1 3.99Å; W102-L106 WeakPolarHBondContact O-CB 3.47Å; W102-L106 PolarHBondContact O-N 3.37Å; K103-L106 HydrophobicContact CD-CD2 4.37Å; K103-L106 WeakPolarHBondContact O-CB 3.35Å; K103-L106 PolarHBondContact O-N 3.32Å; Q104-L106 PolarHBondContact O-N 2.88Å; L106-S108 PolarHBondContact O-N 2.84Å; L106-K109 PolarHBondContact O-N 3.45Å; L106-K109 VanDerWaalsContact O-N 3.09Å; L106-A110 HydrophobicContact CD1-CB 4.15Å; L106-A110 PolarHBondContact O-N 3.24Å; L106-I118 HydrophobicContact CD1-CD1 3.82Å; L106-I118 HydrophobicContact CD1-CG1 4.3Å; L106-I118 HydrophobicContact CD2-CG1 4.33Å; L106-I118 HydrophobicContact CG-CD1 4.43Å; L106-I118 HydrophobicContact CG-CG1 4.38Å; L106-C120 HydrophobicContact CD2-CB 4Å
107D94.8Very high93.4Very high46 Ų4655.8 Ų55.825%0.24632%0.319CS..Hα-helixtrans-62.1-33.2-176.9-68.3-33.8000112.1K103 Q104 K109 S117K103-D107 IonicContact NZ-OD1 3.4Å; K103-D107 PolarHBondContact NZ-OD1 3.15Å; K103-D107 IonicContact NZ-OD2 3.63Å; K103-D107 PolarHBondContact NZ-OD2 3.42Å; K103-D107 VanDerWaalsContact O-CG 3.28Å; K103-D107 PolarHBondContact O-N 3.28Å; Q104-D107 PolarHBondContact O-N 2.98Å; D107-K109 VanDerWaalsContact C-N 3.3Å; D107-K109 PolarHBondContact O-N 3.47Å; D107-S117 WeakPolarHBondContact OD1-CB 3.49Å; D107-S117 PolarHBondContact OD1-OG 3.33Å
108S92.6Very high93.4Very high78 Ų7850.4 Ų50.455%0.54529%0.291SS..Hα-helixtrans-75-16.4178.5760000114.4Q104 D105 L106Q104-S108 WeakPolarHBondContact O-CB 3.5Å; Q104-S108 PolarHBondContact O-N 2.79Å; Q104-S108 PolarHBondContact O-OG 2.85Å; D105-S108 PolarHBondContact O-N 2.86Å; D105-S108 PolarHBondContact O-OG 3.12Å; L106-S108 PolarHBondContact O-N 2.84Å
109K91.8Very high93.6Very high48 Ų4847.7 Ų47.721%0.20928%0.28CS..Hα-helixtrans-122-20.5-169.6-70.1171.4-176.7171.50114.2T74 R75 F78 D105 L106 D107T74-K109 PolarHBondContact OG1-NZ 2.94Å; R75-K109 HydrophobicContact CG-CD 4.06Å; R75-K109 HydrophobicContact CG-CG 3.98Å; F78-K109 HydrophobicContact CB-CB 4.13Å; F78-K109 HydrophobicContact CD2-CB 3.86Å; F78-K109 HydrophobicContact CD2-CD 4.21Å; F78-K109 HydrophobicContact CG-CB 4.42Å; D105-K109 WeakPolarHBondContact O-CB 3.45Å; D105-K109 WeakPolarHBondContact O-CG 3.41Å; D105-K109 PolarHBondContact O-N 2.9Å; D105-K109 WeakPolarHBondContact OD1-CE 3.38Å; D105-K109 IonicContact OD1-NZ 2.76Å; D105-K109 PolarHBondContact OD1-NZ 3Å; D105-K109 IonicContact OD2-NZ 3.59Å; D105-K109 PolarHBondContact OD2-NZ 2.85Å; L106-K109 PolarHBondContact O-N 3.45Å; L106-K109 VanDerWaalsContact O-N 3.09Å; D107-K109 VanDerWaalsContact C-N 3.3Å; D107-K109 PolarHBondContact O-N 3.47Å
110A93Very high93.6Very high5 Ų547.7 Ų47.74%0.04128%0.28CS..  trans-133.5113.1-179.100000111F78 L106 I118F78-A110 HydrophobicContact CB-CB 4.36Å; L106-A110 HydrophobicContact CD1-CB 4.15Å; L106-A110 PolarHBondContact O-N 3.24Å; A110-I118 HydrophobicContact CB-CD1 3.93Å; A110-I118 HydrophobicContact CB-CG1 4.45Å; A110-I118 HydrophobicContact CB-CG2 4.28Å
111T93.4Very high93.8Very high84 Ų8444.7 Ų44.752%0.51527%0.266SS..BIsolated β-bridgetrans-126.7153.917453.50000109.9S116T111-S116 CarbonylContact C-O 3.51Å; T111-S116 WeakPolarHBondContact CA-O 3.37Å
112L91.2Very high94Very high16 Ų1639 Ų398%0.08424%0.24CC..  trans-72.4165.1170.2-67.1176.3000110.5N114 G115 S116 I118 I176L112-N114 VanDerWaalsContact CB-OD1 3.24Å; L112-N114 WeakPolarHBondContact CB-OD1 3.31Å; L112-N114 PolarHBondContact O-N 3.01Å; L112-N114 VanDerWaalsContact O-N 3.1Å; L112-G115 WeakPolarHBondContact O-CA 3.36Å; L112-G115 PolarHBondContact O-N 2.79Å; L112-S116 PolarHBondContact N-O 2.88Å; L112-I118 HydrophobicContact CD2-CG2 4Å; L112-I118 HydrophobicContact CG-CG2 4.05Å; L112-I176 HydrophobicContact CD1-CD1 4.43Å; L112-I176 HydrophobicContact CD1-CG2 3.58Å
113P87.9Confident94.2Very high131 Ų13137.9 Ų37.985%0.85124%0.235SC*.THydrogen-bonded Turntrans-56.9-27.7-178.6-27.636.1000115G115P113-G115 PolarHBondContact O-N 3.22Å
114N87.5Confident94.3Very high90 Ų9037.6 Ų37.648%0.48123%0.234SC..THydrogen-bonded Turntrans-81.33.3175.667.4-13.5000113.6L112 S116 L180L112-N114 VanDerWaalsContact CB-OD1 3.24Å; L112-N114 WeakPolarHBondContact CB-OD1 3.31Å; L112-N114 PolarHBondContact O-N 3.01Å; L112-N114 VanDerWaalsContact O-N 3.1Å; N114-S116 VanDerWaalsContact C-N 3.34Å; N114-S116 PolarHBondContact ND2-OG 2.9Å; N114-S116 PolarHBondContact O-N 2.91Å; N114-S116 PolarHBondContact OD1-N 2.89Å; N114-S116 VanDerWaalsContact OD1-N 3.12Å; N114-S116 PolarHBondContact OD1-OG 3.4Å; N114-L180 HydrophobicContact CB-CD2 3.89Å
115G89.8Confident94.5Very high53 Ų5333.4 Ų33.455%0.54622%0.215SC..SBendtrans83.7-4.1-179.600000115.4L112 P113L112-G115 WeakPolarHBondContact O-CA 3.36Å; L112-G115 PolarHBondContact O-N 2.79Å; P113-G115 PolarHBondContact O-N 3.22Å
116S91.9Very high94.7Very high49 Ų4934.8 Ų34.834%0.34322%0.22SC..PPolyproline II helixtrans-76.3156177.268.60000111.9T111 L112 N114T111-S116 CarbonylContact C-O 3.51Å; T111-S116 WeakPolarHBondContact CA-O 3.37Å; L112-S116 PolarHBondContact N-O 2.88Å; N114-S116 VanDerWaalsContact C-N 3.34Å; N114-S116 PolarHBondContact ND2-OG 2.9Å; N114-S116 PolarHBondContact O-N 2.91Å; N114-S116 PolarHBondContact OD1-N 2.89Å; N114-S116 VanDerWaalsContact OD1-N 3.12Å; N114-S116 PolarHBondContact OD1-OG 3.4Å
117S94.9Very high94.8Very high58 Ų5835.7 Ų35.741%0.40623%0.226SC..BIsolated β-bridgetrans-55.4147.7170.3-70.90000111.6D107D107-S117 WeakPolarHBondContact OD1-CB 3.49Å; D107-S117 PolarHBondContact OD1-OG 3.33Å
118I97.6Very high94.8Very high4 Ų435.7 Ų35.72%0.02123%0.226CC..PPolyproline II helixtrans-71.314717172174.7000110.3A81 L106 A110 L112 C120A81-I118 HydrophobicContact CB-CD1 3.83Å; A81-I118 WeakPolarHBondContact O-CG2 3.49Å; L106-I118 HydrophobicContact CD1-CD1 3.82Å; L106-I118 HydrophobicContact CD1-CG1 4.3Å; L106-I118 HydrophobicContact CD2-CG1 4.33Å; L106-I118 HydrophobicContact CG-CD1 4.43Å; L106-I118 HydrophobicContact CG-CG1 4.38Å; A110-I118 HydrophobicContact CB-CD1 3.93Å; A110-I118 HydrophobicContact CB-CG1 4.45Å; A110-I118 HydrophobicContact CB-CG2 4.28Å; L112-I118 HydrophobicContact CD2-CG2 4Å; L112-I118 HydrophobicContact CG-CG2 4.05Å; I118-C120 PolarHBondContact O-N 2.87Å
119P98.1Very high94.9Very high9 Ų935.4 Ų35.46%0.05822%0.218CC..PPolyproline II helixtrans-59.1131.5175.524.5-35.8000111.2V82 G83 S84 V149 L169 E172 I173 I176V82-P119 VanDerWaalsContact O-CD 3.28Å; V82-P119 WeakPolarHBondContact O-CD 3.39Å; V82-P119 WeakPolarHBondContact O-CG 3.3Å; G83-P119 CarbonylContact C-O 3.56Å; G83-P119 WeakPolarHBondContact CA-O 3.43Å; S84-P119 PolarHBondContact N-O 3.07Å; P119-V149 HydrophobicContact CB-CG2 3.7Å; P119-L169 HydrophobicContact CB-CD1 4.12Å; P119-L169 HydrophobicContact CG-CD1 4.35Å; P119-E172 HydrophobicContact CB-CB 4.37Å; P119-E172 HydrophobicContact CB-CG 3.71Å; P119-E172 HydrophobicContact CG-CG 4.42Å; P119-I173 HydrophobicContact CG-CG1 3.55Å; P119-I176 HydrophobicContact CB-CD1 4.19Å; P119-I176 HydrophobicContact CG-CD1 3.94Å
120C98.6Very high94.6Very high1 Ų137.2 Ų37.21%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-130.8130.3-179.4-171.90000110.3S84 K103 L106 I118 F148 V149S84-C120 VanDerWaalsContact O-CA 3.31Å; S84-C120 WeakPolarHBondContact O-CA 3.36Å; K103-C120 HydrophobicContact CD-CB 4.46Å; L106-C120 HydrophobicContact CD2-CB 4Å; I118-C120 PolarHBondContact O-N 2.87Å; C120-F148 HydrophobicContact CB-CD1 4.2Å; C120-F148 HydrophobicContact CB-CE1 4.43Å; C120-F148 WeakPolarHBondContact O-CA 3.43Å; C120-V149 PolarHBondContact O-N 3.48Å
121I98.8Very high94.4Very high0 Ų043.3 Ų43.30%027%0.269CS..EExtended strand (participates in β ladder)trans-106144.417161.7169.7000110.5S84 V85 L86 L123 V149 T150 A165 L169S84-I121 PolarHBondContact O-N 3.27Å; V85-I121 HydrophobicContact CB-CG1 4.4Å; V85-I121 HydrophobicContact CG1-CG1 4.34Å; V85-I121 HydrophobicContact CG2-CD1 4.1Å; V85-I121 HydrophobicContact CG2-CG1 3.98Å; L86-I121 PolarHBondContact N-O 2.84Å; I121-L123 HydrophobicContact CD1-CD2 4.07Å; I121-V149 HydrophobicContact CG2-CB 4.03Å; I121-V149 HydrophobicContact CG2-CG1 4.33Å; I121-T150 WeakPolarHBondContact CA-O 3.33Å; I121-T150 HydrophobicContact CB-CG2 4.41Å; I121-T150 HydrophobicContact CG2-CG2 3.85Å; I121-A165 HydrophobicContact CD1-CB 3.83Å; I121-A165 WeakPolarHBondContact CD1-O 3.11Å; I121-L169 HydrophobicContact CD1-CB 4.02Å; I121-L169 HydrophobicContact CD1-CD2 4.42Å; I121-L169 HydrophobicContact CG1-CB 4.4Å; I121-L169 HydrophobicContact CG1-CD2 4.28Å; I121-L169 HydrophobicContact CG2-CB 4.3Å; I121-L169 HydrophobicContact CG2-CD1 4.38Å
122L98.8Very high94.5Very high0 Ų043.5 Ų43.50%026%0.26CS..EExtended strand (participates in β ladder)trans-100.2125.3176.3-175.467000110.7L86 F88 F96 C99 I139 F142 C143 F148 T150 W151 M152L86-L122 HydrophobicContact CB-CD1 4.18Å; L86-L122 HydrophobicContact CD2-CD1 4.05Å; L86-L122 HydrophobicContact CG-CD1 3.91Å; L86-L122 CarbonylContact O-C 3.59Å; L86-L122 WeakPolarHBondContact O-CA 3.47Å; F88-L122 HydrophobicContact CD1-CD1 3.88Å; F88-L122 HydrophobicContact CD1-CD2 4.42Å; F88-L122 HydrophobicContact CD1-CG 4.13Å; F88-L122 HydrophobicContact CE1-CD1 4.26Å; F88-L122 HydrophobicContact CE1-CD2 4.01Å; F88-L122 HydrophobicContact CE1-CG 4.01Å; F96-L122 HydrophobicContact CE2-CD2 4.42Å; C99-L122 HydrophobicContact CB-CD1 4.4Å; L122-I139 HydrophobicContact CD2-CG2 3.85Å; L122-F142 HydrophobicContact CD2-CD1 3.98Å; L122-F142 HydrophobicContact CD2-CE1 4.22Å; L122-C143 WeakPolarHBondContact CD2-SG 3.35Å; L122-F148 HydrophobicContact CB-CD1 3.8Å; L122-F148 HydrophobicContact CB-CE1 4Å; L122-F148 HydrophobicContact CB-CG 4.33Å; L122-F148 HydrophobicContact CD1-CE1 4.24Å; L122-F148 HydrophobicContact CD1-CZ 4.45Å; L122-T150 PolarHBondContact N-O 2.96Å; L122-W151 HydrophobicContact CB-CB 3.94Å; L122-W151 HydrophobicContact CD2-CB 4.44Å; L122-W151 HydrophobicContact CG-CB 4.45Å; L122-W151 CarbonylContact O-C 3.57Å; L122-W151 WeakPolarHBondContact O-CA 3.12Å; L122-W151 WeakPolarHBondContact O-CB 3.43Å; L122-M152 PolarHBondContact O-N 3.29Å
123L98.8Very high94.6Very high0 Ų044.9 Ų44.90%027%0.273CS..EExtended strand (participates in β ladder)trans-109.5117175.4-55.1-173.1000110.9F23 V85 L86 M87 F88 I121 N125 M152 A165F23-L123 HydrophobicContact CD2-CD1 4.04Å; F23-L123 HydrophobicContact CE1-CD1 4.48Å; F23-L123 HydrophobicContact CE2-CD1 3.41Å; F23-L123 VanDerWaalsContact CE2-CD1 3.41Å; F23-L123 HydrophobicContact CZ-CD1 3.68Å; V85-L123 HydrophobicContact CG1-CD1 3.39Å; V85-L123 HydrophobicContact CG1-CG 3.67Å; L86-L123 PolarHBondContact O-N 2.6Å; M87-L123 WeakPolarHBondContact CA-O 3.48Å; M87-L123 HydrophobicContact CE-CB 4.49Å; M87-L123 HydrophobicContact CE-CD1 4.42Å; M87-L123 HydrophobicContact CG-CB 4.15Å; M87-L123 HydrophobicContact CG-CD1 4.35Å; F88-L123 WeakPolarHBondContact CD1-O 3.37Å; F88-L123 PolarHBondContact N-O 3.01Å; I121-L123 HydrophobicContact CD1-CD2 4.07Å; L123-N125 PolarHBondContact O-N 2.97Å; L123-M152 HydrophobicContact CD2-CB 4.09Å; L123-A165 HydrophobicContact CD1-CB 4.36Å; L123-A165 HydrophobicContact CD2-CB 3.72Å
124A98.5Very high94.7Very high0 Ų038.9 Ų38.90%023%0.234CC..EExtended strand (participates in β ladder)trans-82.985.7169.500000107.9F88 V90 W132 I139 W151 M152 T154F88-A124 VanDerWaalsContact CE1-CA 3.48Å; F88-A124 HydrophobicContact CE1-CB 3.56Å; F88-A124 HydrophobicContact CE2-CB 4.31Å; F88-A124 HydrophobicContact CZ-CB 3.44Å; F88-A124 VanDerWaalsContact CZ-CB 3.44Å; V90-A124 HydrophobicContact CG1-CB 3.67Å; A124-W132 HydrophobicContact CB-CH2 4.32Å; A124-W132 HydrophobicContact CB-CZ3 4.35Å; A124-I139 HydrophobicContact CB-CD1 4.37Å; A124-W151 HydrophobicContact CB-CE3 4.19Å; A124-W151 HydrophobicContact CB-CZ3 4.32Å; A124-M152 PolarHBondContact N-O 3.41Å; A124-M152 VanDerWaalsContact N-O 3.08Å; A124-T154 PolarHBondContact O-N 2.86Å
125N98.4Very high95Very high4 Ų437.9 Ų37.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-83.5164.3-172-169.232.2000112.5V18 M87 F88 V90 L123 S127 T154 V156V18-N125 PolarHBondContact O-ND2 2.93Å; M87-N125 HydrophobicContact CE-CB 3.7Å; F88-N125 WeakPolarHBondContact O-CB 3.49Å; F88-N125 PolarHBondContact O-N 3.26Å; V90-N125 WeakPolarHBondContact CG1-O 3.49Å; V90-N125 WeakPolarHBondContact CG2-O 3.09Å; V90-N125 PolarHBondContact N-O 2.9Å; L123-N125 PolarHBondContact O-N 2.97Å; N125-S127 VanDerWaalsContact C-N 3.29Å; N125-T154 CarbonylContact C-O 3.49Å; N125-T154 VanDerWaalsContact CA-O 3.3Å; N125-T154 WeakPolarHBondContact CA-O 3.48Å; N125-T154 PolarHBondContact OD1-O 3.09Å; N125-V156 WeakPolarHBondContact OD1-CG2 3.42Å; N125-V156 PolarHBondContact OD1-N 2.98Å
126K97Very high95.2Very high55 Ų5537.4 Ų37.424%0.23922%0.224CC..  trans6530.8-173.7-44.8-169.3-163.5168.70113.1N17 D89 V90 D128 L129 T154N17-K126 WeakPolarHBondContact O-CE 3.15Å; N17-K126 PolarHBondContact O-NZ 2.76Å; D89-K126 HydrophobicContact CB-CD 4.44Å; D89-K126 VanDerWaalsContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CE 3.41Å; D89-K126 IonicContact OD2-NZ 2.79Å; D89-K126 PolarHBondContact OD2-NZ 2.78Å; V90-K126 HydrophobicContact CG2-CB 4.4Å; V90-K126 VanDerWaalsContact CG2-O 3.3Å; V90-K126 WeakPolarHBondContact CG2-O 3.46Å; K126-D128 PolarHBondContact O-N 3.1Å; K126-L129 HydrophobicContact CB-CD1 3.95Å; K126-L129 HydrophobicContact CB-CG 4.25Å; K126-L129 HydrophobicContact CD-CD1 4.19Å; K126-L129 WeakPolarHBondContact O-CB 3.25Å; K126-L129 PolarHBondContact O-N 3.34Å; K126-T154 PolarHBondContact N-O 3.49Å; K126-T154 VanDerWaalsContact N-O 3.09Å
127S97.3Very high95.5Very high18 Ų1841.1 Ų41.113%0.12624%0.24CC..THydrogen-bonded Turntrans-62.3-5.3174.761.40000115N125 L129 T154 S155N125-S127 VanDerWaalsContact C-N 3.29Å; S127-L129 VanDerWaalsContact C-N 3.29Å; S127-T154 WeakPolarHBondContact CB-O 3.38Å; S127-T154 PolarHBondContact N-O 2.87Å; S127-T154 PolarHBondContact OG-O 3.07Å; S127-S155 PolarHBondContact OG-N 3.41Å
128D96Very high95.6Very high46 Ų4644 Ų4425%0.24625%0.247CC..THydrogen-bonded Turntrans-76.5-15168.960.4-78.6000113.5K126 S155 K157 D158K126-D128 PolarHBondContact O-N 3.1Å; D128-S155 WeakPolarHBondContact OD1-CB 3.36Å; D128-S155 PolarHBondContact OD1-OG 2.64Å; D128-K157 WeakPolarHBondContact OD2-CD 3.26Å; D128-K157 IonicContact OD2-NZ 3.16Å; D128-K157 PolarHBondContact OD2-NZ 2.57Å; D128-D158 WeakPolarHBondContact CB-OD2 3.46Å
129L94.6Very high95.6Very high72 Ų7243.9 Ų43.938%0.37725%0.246SC..SBendtrans-84.9145.2174.1-56.4-179.8000110.4T91 K126 S127T91-L129 HydrophobicContact CG2-CB 3.81Å; T91-L129 HydrophobicContact CG2-CD1 3.78Å; T91-L129 HydrophobicContact CG2-CG 4.44Å; K126-L129 HydrophobicContact CB-CD1 3.95Å; K126-L129 HydrophobicContact CB-CG 4.25Å; K126-L129 HydrophobicContact CD-CD1 4.19Å; K126-L129 WeakPolarHBondContact O-CB 3.25Å; K126-L129 PolarHBondContact O-N 3.34Å; S127-L129 VanDerWaalsContact C-N 3.29Å
130S84.6Confident95.6Very high86 Ų8646.8 Ų46.860%0.60126%0.259SS*.SBendtrans-70.5172.9167.557.70000110.8
131D87.9Confident95.5Very high134 Ų13450.3 Ų50.372%0.71728%0.283SS*.  trans64.957.5168-46.7-55.9000114.1A133D131-A133 PolarHBondContact O-N 2.8Å; D131-A133 VanDerWaalsContact O-N 3.1Å
132W95.4Very high95.5Very high87 Ų8751.6 Ų51.633%0.3329%0.289SS..  trans-58.7118.5171.2-74.135.5000109.6V90 A124 V134 I139 W151 A153V90-W132 HydrophobicContact CB-CD2 3.79Å; V90-W132 HydrophobicContact CB-CE3 4.24Å; V90-W132 HydrophobicContact CB-CG 3.93Å; V90-W132 HydrophobicContact CG1-CD2 3.83Å; V90-W132 HydrophobicContact CG1-CE3 3.93Å; V90-W132 HydrophobicContact CG1-CG 4.49Å; V90-W132 HydrophobicContact CG1-CH2 3.97Å; V90-W132 HydrophobicContact CG1-CZ2 3.89Å; V90-W132 HydrophobicContact CG1-CZ3 4Å; V90-W132 HydrophobicContact CG2-CD2 4.33Å; V90-W132 HydrophobicContact CG2-CG 4.25Å; V90-W132 CarbonylContact O-C 3.58Å; V90-W132 WeakPolarHBondContact O-CA 3.17Å; A124-W132 HydrophobicContact CB-CH2 4.32Å; A124-W132 HydrophobicContact CB-CZ3 4.35Å; W132-V134 PolarHBondContact O-N 3.46Å; W132-I139 HydrophobicContact CE3-CD1 4.19Å; W132-I139 HydrophobicContact CZ3-CD1 3.84Å; W132-W151 HydrophobicContact CH2-CZ3 4.24Å; W132-W151 HydrophobicContact CZ3-CH2 4.49Å; W132-W151 HydrophobicContact CZ3-CZ3 4.16Å; W132-A153 HydrophobicContact CH2-CB 3.62Å; W132-A153 HydrophobicContact CZ2-CB 4.06Å
133A94.1Very high95.5Very high45 Ų4551.8 Ų51.837%0.37229%0.29SS..SBendtrans-72.9-13.2177.700000112.1V90 T93 D131V90-A133 PolarHBondContact O-N 3.02Å; T93-A133 VanDerWaalsContact OG1-CB 3.25Å; T93-A133 WeakPolarHBondContact OG1-CB 3.33Å; D131-A133 PolarHBondContact O-N 2.8Å; D131-A133 VanDerWaalsContact O-N 3.1Å
134V90.7Very high95.4Very high5 Ų558.9 Ų58.93%0.0332%0.321CS..SBendtrans-126.6119-179-170.10000110.4F96 W132 H138 I139F96-V134 HydrophobicContact CB-CG2 3.8Å; F96-V134 HydrophobicContact CD1-CB 4.49Å; F96-V134 HydrophobicContact CD1-CG1 3.74Å; F96-V134 HydrophobicContact CD1-CG2 3.91Å; F96-V134 HydrophobicContact CD2-CG1 4.3Å; F96-V134 HydrophobicContact CE1-CG1 3.71Å; F96-V134 HydrophobicContact CE2-CG1 4.27Å; F96-V134 HydrophobicContact CG-CG1 4.04Å; F96-V134 HydrophobicContact CG-CG2 3.87Å; F96-V134 HydrophobicContact CZ-CG1 3.98Å; W132-V134 PolarHBondContact O-N 3.46Å; V134-H138 HydrophobicContact CG1-CB 4.29Å; V134-I139 HydrophobicContact CB-CG1 4.43Å; V134-I139 HydrophobicContact CG1-CD1 4.3Å; V134-I139 HydrophobicContact CG1-CG1 3.71Å
135P93.4Very high95.4Very high70 Ų7062.6 Ų62.646%0.45535%0.352SS..  trans-63.8146.8176.4-2333.8000113.3D137 H138 I139P135-D137 VanDerWaalsContact C-N 3.31Å; P135-D137 PolarHBondContact O-N 2.92Å; P135-H138 WeakPolarHBondContact O-CB 3.43Å; P135-H138 PolarHBondContact O-N 3.32Å; P135-H138 VanDerWaalsContact O-N 3.1Å; P135-I139 PolarHBondContact O-N 3.49Å
136A94.8Very high95.3Very high43 Ų4365.2 Ų65.236%0.35536%0.364SS..Hα-helixtrans-56.7-40.4179.800000113.4H138 I139 E140 W151A136-H138 VanDerWaalsContact C-N 3.26Å; A136-H138 PolarHBondContact O-N 3.49Å; A136-I139 WeakPolarHBondContact O-CB 3.25Å; A136-I139 PolarHBondContact O-N 2.99Å; A136-I139 VanDerWaalsContact O-N 3.12Å; A136-E140 PolarHBondContact O-N 3.33Å; A136-W151 HydrophobicContact CB-CH2 3.91Å; A136-W151 HydrophobicContact CB-CZ2 4.07Å
137D96.8Very high95.3Very high127 Ų12765.2 Ų65.268%0.67938%0.379SS*.Hα-helixtrans-65.1-31.1-179.9-64.1-19.9000112.7P135 S141P135-D137 VanDerWaalsContact C-N 3.31Å; P135-D137 PolarHBondContact O-N 2.92Å; D137-S141 WeakPolarHBondContact O-CB 3.44Å; D137-S141 PolarHBondContact O-N 3.19Å; D137-S141 PolarHBondContact O-OG 3.44Å
138H96.7Very high95.4Very high119 Ų11965.3 Ų65.355%0.55138%0.377SS*.Hα-helixtrans-71.1-40.1174.3-70.5-164000110.9V134 P135 A136 S141 F142V134-H138 HydrophobicContact CG1-CB 4.29Å; P135-H138 WeakPolarHBondContact O-CB 3.43Å; P135-H138 PolarHBondContact O-N 3.32Å; P135-H138 VanDerWaalsContact O-N 3.1Å; A136-H138 VanDerWaalsContact C-N 3.26Å; A136-H138 PolarHBondContact O-N 3.49Å; H138-S141 PolarHBondContact O-N 3.1Å; H138-F142 VanDerWaalsContact O-CB 3.24Å; H138-F142 WeakPolarHBondContact O-CB 3.24Å; H138-F142 PolarHBondContact O-N 2.9Å
139I97.9Very high95.4Very high0 Ų064.8 Ų64.80%038%0.376CS..Hα-helixtrans-63.8-45.5176.2-56.9165.3000110F88 F96 L122 A124 W132 V134 P135 A136 S141 F142 C143 W151F88-I139 HydrophobicContact CE1-CG2 4.47Å; F88-I139 HydrophobicContact CZ-CD1 3.77Å; F88-I139 HydrophobicContact CZ-CG1 4.07Å; F96-I139 HydrophobicContact CE2-CB 4.48Å; F96-I139 HydrophobicContact CE2-CG1 4.05Å; F96-I139 HydrophobicContact CE2-CG2 4.47Å; F96-I139 HydrophobicContact CZ-CG1 4.41Å; L122-I139 HydrophobicContact CD2-CG2 3.85Å; A124-I139 HydrophobicContact CB-CD1 4.37Å; W132-I139 HydrophobicContact CE3-CD1 4.19Å; W132-I139 HydrophobicContact CZ3-CD1 3.84Å; V134-I139 HydrophobicContact CB-CG1 4.43Å; V134-I139 HydrophobicContact CG1-CD1 4.3Å; V134-I139 HydrophobicContact CG1-CG1 3.71Å; P135-I139 PolarHBondContact O-N 3.49Å; A136-I139 WeakPolarHBondContact O-CB 3.25Å; A136-I139 PolarHBondContact O-N 2.99Å; A136-I139 VanDerWaalsContact O-N 3.12Å; I139-S141 PolarHBondContact O-N 3.3Å; I139-F142 WeakPolarHBondContact O-CB 3.32Å; I139-F142 PolarHBondContact O-N 2.63Å; I139-C143 WeakPolarHBondContact O-CB 3.37Å; I139-C143 PolarHBondContact O-N 3.5Å; I139-C143 PolarHBondContact O-SG 3.29Å; I139-W151 HydrophobicContact CB-CD2 4.32Å; I139-W151 HydrophobicContact CD1-CZ3 4.3Å; I139-W151 HydrophobicContact CG2-CB 4.03Å; I139-W151 HydrophobicContact CG2-CD2 3.57Å; I139-W151 HydrophobicContact CG2-CE3 3.82Å; I139-W151 HydrophobicContact CG2-CG 3.66Å; I139-W151 HydrophobicContact CG2-CZ3 4.5Å
140E98Very high95.6Very high70 Ų7063 Ų6333%0.32737%0.368SS..Hα-helixtrans-59-47.7177.3-179.366.4-158.500111.7A136 C143 K144 W151A136-E140 PolarHBondContact O-N 3.33Å; E140-C143 PolarHBondContact O-N 3.24Å; E140-K144 PolarHBondContact O-N 3.29Å; E140-K144 VanDerWaalsContact O-N 3.15Å; E140-K144 WeakPolarHBondContact OE1-CE 3.35Å; E140-K144 IonicContact OE1-NZ 3.45Å; E140-K144 PolarHBondContact OE1-NZ 3.21Å; E140-W151 VanDerWaalsContact OE2-CD1 3.29Å; E140-W151 PolarHBondContact OE2-NE1 3.08Å
141S98.2Very high96.3Very high75 Ų7561.2 Ų61.252%0.52435%0.348SS..Hα-helixtrans-63-43.3178.1-59.80000111.7D137 H138 I139 C143 K144 A145D137-S141 WeakPolarHBondContact O-CB 3.44Å; D137-S141 PolarHBondContact O-N 3.19Å; D137-S141 PolarHBondContact O-OG 3.44Å; H138-S141 PolarHBondContact O-N 3.1Å; I139-S141 PolarHBondContact O-N 3.3Å; S141-C143 PolarHBondContact O-N 2.84Å; S141-K144 PolarHBondContact O-N 3.44Å; S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 2.89Å
142F98.2Very high96.8Very high27 Ų2755.9 Ų55.912%0.11832%0.319CS..Hα-helixtrans-60.3-44.3175.4178.2-90.2000111.8F96 C99 H100 L122 H138 I139 K144 A145 H146 F148F96-F142 HydrophobicContact CE2-CB 4.37Å; F96-F142 HydrophobicContact CE2-CD1 4.07Å; F96-F142 HydrophobicContact CE2-CG 4.11Å; F96-F142 HydrophobicContact CZ-CB 3.78Å; F96-F142 HydrophobicContact CZ-CD1 4.19Å; F96-F142 HydrophobicContact CZ-CD2 4.07Å; F96-F142 AromaticContact CZ-CG 3.75Å; F96-F142 HydrophobicContact CZ-CG 3.75Å; C99-F142 HydrophobicContact CB-CE1 3.99Å; C99-F142 HydrophobicContact CB-CZ 3.85Å; H100-F142 HydrophobicContact CB-CE2 4.07Å; H100-F142 HydrophobicContact CB-CZ 4.21Å; L122-F142 HydrophobicContact CD2-CD1 3.98Å; L122-F142 HydrophobicContact CD2-CE1 4.22Å; H138-F142 VanDerWaalsContact O-CB 3.24Å; H138-F142 WeakPolarHBondContact O-CB 3.24Å; H138-F142 PolarHBondContact O-N 2.9Å; I139-F142 WeakPolarHBondContact O-CB 3.32Å; I139-F142 PolarHBondContact O-N 2.63Å; F142-K144 PolarHBondContact O-N 3Å; F142-A145 PolarHBondContact O-N 3.1Å; F142-H146 AromaticContact CD2-CD2 3.35Å; F142-H146 WeakPolarHBondContact CD2-CD2 3.43Å; F142-H146 AromaticContact CD2-NE2 3.64Å; F142-H146 AromaticContact CE2-CD2 3.26Å; F142-H146 WeakPolarHBondContact CE2-CD2 3.48Å; F142-H146 AromaticContact CE2-NE2 3.51Å; F142-H146 AromaticContact CG-CD2 3.81Å; F142-H146 AromaticContact CZ-CD2 3.66Å; F142-H146 PolarHBondContact O-CD2 2.99Å; F142-H146 PolarHBondContact O-N 2.73Å; F142-H146 VanDerWaalsContact O-N 3.08Å; F142-F148 HydrophobicContact CD1-CE2 4.09Å; F142-F148 HydrophobicContact CE1-CD2 4.38Å; F142-F148 AromaticContact CE1-CE2 3.49Å; F142-F148 HydrophobicContact CE1-CE2 3.49Å; F142-F148 VanDerWaalsContact CE1-CE2 3.49Å; F142-F148 AromaticContact CE1-CZ 3.95Å; F142-F148 HydrophobicContact CE1-CZ 3.95Å; F142-F148 HydrophobicContact CZ-CE2 4.28Å
143C97.8Very high96.9Very high4 Ų452.7 Ų52.73%0.02731%0.311CS..Hα-helixtrans-60.5-44.8178.9-81.40000113.1L122 I139 E140 S141 G147 F148 W151L122-C143 WeakPolarHBondContact CD2-SG 3.35Å; I139-C143 WeakPolarHBondContact O-CB 3.37Å; I139-C143 PolarHBondContact O-N 3.5Å; I139-C143 PolarHBondContact O-SG 3.29Å; E140-C143 PolarHBondContact O-N 3.24Å; S141-C143 PolarHBondContact O-N 2.84Å; C143-G147 PolarHBondContact O-N 3.43Å; C143-F148 HydrophobicContact CB-CB 3.96Å; C143-F148 HydrophobicContact CB-CD2 4.45Å; C143-F148 HydrophobicContact CB-CG 4.49Å; C143-F148 PolarHBondContact O-N 2.93Å; C143-W151 VanDerWaalsContact SG-CB 3.59Å
144K97.4Very high97.1Very high150 Ų15050.5 Ų50.565%0.65229%0.293SS*.Hα-helixtrans-64-46.7176.3-72.8173178.6151.60111.6E140 S141 F142 H146 G147E140-K144 PolarHBondContact O-N 3.29Å; E140-K144 VanDerWaalsContact O-N 3.15Å; E140-K144 WeakPolarHBondContact OE1-CE 3.35Å; E140-K144 IonicContact OE1-NZ 3.45Å; E140-K144 PolarHBondContact OE1-NZ 3.21Å; S141-K144 PolarHBondContact O-N 3.44Å; F142-K144 PolarHBondContact O-N 3Å; K144-H146 VanDerWaalsContact C-N 3.26Å; K144-H146 PolarHBondContact O-N 2.75Å; K144-G147 PolarHBondContact O-N 3.35Å
145A97.8Very high97.5Very high77 Ų7750.3 Ų50.364%0.63629%0.292SS*.Hα-helixtrans-64.1-28.4-177.200000113.6S141 F142S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 2.89Å; F142-A145 PolarHBondContact O-N 3.1Å
146H97.4Very high97.7Very high60 Ų6047.1 Ų47.128%0.27827%0.272SS..THydrogen-bonded Turntrans-111.913.9-174.7-63.5-61.7000114.4H100 K103 F142 K144 F148H100-H146 AromaticContact CE1-CE1 3.28Å; H100-H146 PolarHBondContact CE1-CE1 3.46Å; H100-H146 AromaticContact CE1-ND1 3.63Å; H100-H146 AromaticContact ND1-CE1 3.09Å; H100-H146 PolarHBondContact ND1-CE1 3.36Å; H100-H146 AromaticContact ND1-ND1 3.4Å; H100-H146 PolarHBondContact ND1-ND1 2.71Å; H100-H146 AromaticContact ND1-NE2 3.58Å; K103-H146 WeakPolarHBondContact CE-O 3.2Å; K103-H146 HydrophobicContact CG-CB 4.43Å; K103-H146 PolarHBondContact NZ-O 3.24Å; F142-H146 AromaticContact CD2-CD2 3.35Å; F142-H146 WeakPolarHBondContact CD2-CD2 3.43Å; F142-H146 AromaticContact CD2-NE2 3.64Å; F142-H146 AromaticContact CE2-CD2 3.26Å; F142-H146 WeakPolarHBondContact CE2-CD2 3.48Å; F142-H146 AromaticContact CE2-NE2 3.51Å; F142-H146 AromaticContact CG-CD2 3.81Å; F142-H146 AromaticContact CZ-CD2 3.66Å; F142-H146 PolarHBondContact O-CD2 2.99Å; F142-H146 PolarHBondContact O-N 2.73Å; F142-H146 VanDerWaalsContact O-N 3.08Å; K144-H146 VanDerWaalsContact C-N 3.26Å; K144-H146 PolarHBondContact O-N 2.75Å; H146-F148 HydrophobicContact CB-CD2 3.92Å; H146-F148 HydrophobicContact CB-CE2 3.67Å
147G96.4Very high97.7Very high55 Ų5549 Ų4957%0.56727%0.272SS*.THydrogen-bonded Turntrans67.837.8172.200000114C143 K144C143-G147 PolarHBondContact O-N 3.43Å; K144-G147 PolarHBondContact O-N 3.35Å
148F98.4Very high97.7Very high19 Ų1947.7 Ų47.78%0.08326%0.264CS..  trans-79.2145.3168.2-69.9-92.9000110.3L86 K103 C120 L122 F142 C143 H146 T150L86-F148 HydrophobicContact CB-CE1 4.1Å; L86-F148 HydrophobicContact CD2-CE1 3.74Å; L86-F148 HydrophobicContact CD2-CZ 3.6Å; K103-F148 HydrophobicContact CB-CE2 4.35Å; K103-F148 HydrophobicContact CB-CZ 3.92Å; K103-F148 HydrophobicContact CD-CE1 4.08Å; K103-F148 HydrophobicContact CD-CE2 4.22Å; K103-F148 HydrophobicContact CD-CZ 3.8Å; K103-F148 HydrophobicContact CG-CE2 3.97Å; K103-F148 HydrophobicContact CG-CZ 3.82Å; C120-F148 HydrophobicContact CB-CD1 4.2Å; C120-F148 HydrophobicContact CB-CE1 4.43Å; C120-F148 WeakPolarHBondContact O-CA 3.43Å; L122-F148 HydrophobicContact CB-CD1 3.8Å; L122-F148 HydrophobicContact CB-CE1 4Å; L122-F148 HydrophobicContact CB-CG 4.33Å; L122-F148 HydrophobicContact CD1-CE1 4.24Å; L122-F148 HydrophobicContact CD1-CZ 4.45Å; F142-F148 HydrophobicContact CD1-CE2 4.09Å; F142-F148 HydrophobicContact CE1-CD2 4.38Å; F142-F148 AromaticContact CE1-CE2 3.49Å; F142-F148 HydrophobicContact CE1-CE2 3.49Å; F142-F148 VanDerWaalsContact CE1-CE2 3.49Å; F142-F148 AromaticContact CE1-CZ 3.95Å; F142-F148 HydrophobicContact CE1-CZ 3.95Å; F142-F148 HydrophobicContact CZ-CE2 4.28Å; C143-F148 HydrophobicContact CB-CB 3.96Å; C143-F148 HydrophobicContact CB-CD2 4.45Å; C143-F148 HydrophobicContact CB-CG 4.49Å; C143-F148 PolarHBondContact O-N 2.93Å; H146-F148 HydrophobicContact CB-CD2 3.92Å; H146-F148 HydrophobicContact CB-CE2 3.67Å; F148-T150 VanDerWaalsContact C-N 3.33Å
149V98Very high97.7Very high36 Ų3645.5 Ų45.522%0.21826%0.257CS..SBendtrans-65.9-39.2177.2172.90000111.1P119 C120 I121 R168 E172P119-V149 HydrophobicContact CB-CG2 3.7Å; C120-V149 PolarHBondContact O-N 3.48Å; I121-V149 HydrophobicContact CG2-CB 4.03Å; I121-V149 HydrophobicContact CG2-CG1 4.33Å; V149-R168 PolarHBondContact O-NH2 3.18Å; V149-R168 VanDerWaalsContact O-NH2 3.08Å; V149-E172 HydrophobicContact CG1-CB 4.34Å; V149-E172 HydrophobicContact CG1-CG 3.99Å; V149-E172 HydrophobicContact CG2-CG 3.91Å
150T98.3Very high97.7Very high34 Ų3450.4 Ų50.421%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-171.4168.2175.3-168.30000108.9I121 L122 F148 M152 R168I121-T150 WeakPolarHBondContact CA-O 3.33Å; I121-T150 HydrophobicContact CB-CG2 4.41Å; I121-T150 HydrophobicContact CG2-CG2 3.85Å; L122-T150 PolarHBondContact N-O 2.96Å; F148-T150 VanDerWaalsContact C-N 3.33Å; T150-M152 HydrophobicContact CG2-CE 3.95Å; T150-R168 HydrophobicContact CG2-CG 4.08Å
151W98.6Very high97.7Very high48 Ų4849.3 Ų49.318%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-113.8161.5156.670.4-77.5000112.5L122 A124 W132 A136 I139 E140 C143 A153L122-W151 HydrophobicContact CB-CB 3.94Å; L122-W151 HydrophobicContact CD2-CB 4.44Å; L122-W151 HydrophobicContact CG-CB 4.45Å; L122-W151 CarbonylContact O-C 3.57Å; L122-W151 WeakPolarHBondContact O-CA 3.12Å; L122-W151 WeakPolarHBondContact O-CB 3.43Å; A124-W151 HydrophobicContact CB-CE3 4.19Å; A124-W151 HydrophobicContact CB-CZ3 4.32Å; W132-W151 HydrophobicContact CH2-CZ3 4.24Å; W132-W151 HydrophobicContact CZ3-CH2 4.49Å; W132-W151 HydrophobicContact CZ3-CZ3 4.16Å; A136-W151 HydrophobicContact CB-CH2 3.91Å; A136-W151 HydrophobicContact CB-CZ2 4.07Å; I139-W151 HydrophobicContact CB-CD2 4.32Å; I139-W151 HydrophobicContact CD1-CZ3 4.3Å; I139-W151 HydrophobicContact CG2-CB 4.03Å; I139-W151 HydrophobicContact CG2-CD2 3.57Å; I139-W151 HydrophobicContact CG2-CE3 3.82Å; I139-W151 HydrophobicContact CG2-CG 3.66Å; I139-W151 HydrophobicContact CG2-CZ3 4.5Å; E140-W151 VanDerWaalsContact OE2-CD1 3.29Å; E140-W151 PolarHBondContact OE2-NE1 3.08Å; C143-W151 VanDerWaalsContact SG-CB 3.59Å; W151-A153 HydrophobicContact CZ3-CB 4.23Å
152M98.6Very high97.7Very high23 Ų2345.8 Ų45.811%0.11325%0.25CS..EExtended strand (participates in β ladder)trans-144133.7170.9-60.4-169.8-164.700111.8L122 L123 A124 T150 T154 K164 A165 R168L122-M152 PolarHBondContact O-N 3.29Å; L123-M152 HydrophobicContact CD2-CB 4.09Å; A124-M152 PolarHBondContact N-O 3.41Å; A124-M152 VanDerWaalsContact N-O 3.08Å; T150-M152 HydrophobicContact CG2-CE 3.95Å; M152-T154 PolarHBondContact O-N 2.99Å; M152-T154 PolarHBondContact O-OG1 3.4Å; M152-K164 HydrophobicContact CE-CG 4.32Å; M152-K164 HydrophobicContact SD-CB 4.5Å; M152-K164 HydrophobicContact SD-CD 4.27Å; M152-K164 HydrophobicContact SD-CG 4.09Å; M152-A165 HydrophobicContact SD-CB 3.93Å; M152-R168 HydrophobicContact CE-CB 3.79Å; M152-R168 HydrophobicContact CE-CG 3.99Å
153A98.3Very high97.7Very high19 Ų1948.5 Ų48.516%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-63.3118.9164.600000109.9W132 W151 N161W132-A153 HydrophobicContact CH2-CB 3.62Å; W132-A153 HydrophobicContact CZ2-CB 4.06Å; W151-A153 HydrophobicContact CZ3-CB 4.23Å; A153-N161 WeakPolarHBondContact O-CB 3.46Å; A153-N161 PolarHBondContact O-ND2 3Å
154T98.5Very high97.7Very high0 Ų054.8 Ų54.80%029%0.292CS..  trans-123.8143-173.5-590000110.1F23 A124 N125 K126 S127 M152 K160 I162F23-T154 HydrophobicContact CD2-CG2 4.3Å; F23-T154 HydrophobicContact CE2-CG2 4.27Å; A124-T154 PolarHBondContact O-N 2.86Å; N125-T154 CarbonylContact C-O 3.49Å; N125-T154 VanDerWaalsContact CA-O 3.3Å; N125-T154 WeakPolarHBondContact CA-O 3.48Å; N125-T154 PolarHBondContact OD1-O 3.09Å; K126-T154 PolarHBondContact N-O 3.49Å; K126-T154 VanDerWaalsContact N-O 3.09Å; S127-T154 WeakPolarHBondContact CB-O 3.38Å; S127-T154 PolarHBondContact N-O 2.87Å; S127-T154 PolarHBondContact OG-O 3.07Å; M152-T154 PolarHBondContact O-N 2.99Å; M152-T154 PolarHBondContact O-OG1 3.4Å; T154-K160 WeakPolarHBondContact CG2-O 3.38Å; T154-I162 HydrophobicContact CG2-CG1 4.06Å
155S98.1Very high97.8Very high0 Ų047.6 Ų47.60%026%0.261CS..BIsolated β-bridgetrans-127.5109164.4174.10000108.2S127 D128 K157 D158 N159 K160S127-S155 PolarHBondContact OG-N 3.41Å; D128-S155 WeakPolarHBondContact OD1-CB 3.36Å; D128-S155 PolarHBondContact OD1-OG 2.64Å; S155-K157 PolarHBondContact O-N 3.31Å; S155-K157 PolarHBondContact OG-N 2.75Å; S155-D158 PolarHBondContact O-N 3.27Å; S155-D158 PolarHBondContact OG-N 3.36Å; S155-N159 CarbonylContact O-C 3.42Å; S155-N159 WeakPolarHBondContact O-CA 3.24Å; S155-N159 PolarHBondContact O-N 2.93Å; S155-K160 PolarHBondContact N-O 3.13Å; S155-K160 VanDerWaalsContact N-O 3.17Å; S155-K160 PolarHBondContact O-N 3.18Å
156V97Very high97.8Very high4 Ų444 Ų442%0.02423%0.231CC..THydrogen-bonded Turntrans-63-36.6174.7173.60000111.5S22 F23 R26 F32 M87 N125 I162S22-V156 VanDerWaalsContact C-CG1 3.45Å; S22-V156 WeakPolarHBondContact O-CG1 3.41Å; F23-V156 HydrophobicContact CB-CG2 3.68Å; F23-V156 HydrophobicContact CD2-CG2 3.93Å; F23-V156 HydrophobicContact CG-CG2 4.31Å; R26-V156 HydrophobicContact CB-CG1 4.02Å; R26-V156 PolarHBondContact NE-O 2.98Å; R26-V156 VanDerWaalsContact NE-O 3.1Å; F32-V156 HydrophobicContact CD2-CG1 3.81Å; F32-V156 HydrophobicContact CE2-CG1 4.05Å; M87-V156 HydrophobicContact CE-CG2 4.39Å; N125-V156 WeakPolarHBondContact OD1-CG2 3.42Å; N125-V156 PolarHBondContact OD1-N 2.98Å; V156-I162 HydrophobicContact CG2-CD1 4.45Å
157K95.8Very high97.8Very high83 Ų8347.2 Ų47.236%0.36124%0.241SC..THydrogen-bonded Turntrans-62.1-50177.9179-164.4171.6-171.70110.7R26 F32 D128 S155 N159R26-K157 PolarHBondContact NH2-O 2.82Å; F32-K157 HydrophobicContact CD1-CG 4.49Å; F32-K157 HydrophobicContact CE1-CB 4.23Å; F32-K157 HydrophobicContact CE1-CG 4.1Å; F32-K157 HydrophobicContact CZ-CB 4.25Å; D128-K157 WeakPolarHBondContact OD2-CD 3.26Å; D128-K157 IonicContact OD2-NZ 3.16Å; D128-K157 PolarHBondContact OD2-NZ 2.57Å; S155-K157 PolarHBondContact O-N 3.31Å; S155-K157 PolarHBondContact OG-N 2.75Å; K157-N159 VanDerWaalsContact C-N 3.32Å; K157-N159 PolarHBondContact O-N 3.12Å
158D96.8Very high97.9Very high98 Ų9848.4 Ų48.452%0.52423%0.228SC..THydrogen-bonded Turntrans-927.9-175.7-61.6-10.8000113.2D128 S155 K160D128-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact O-N 3.27Å; S155-D158 PolarHBondContact OG-N 3.36Å; D158-K160 PolarHBondContact O-N 3.27Å
159N96.6Very high97.9Very high73 Ų7347.5 Ų47.539%0.3922%0.224SC..THydrogen-bonded Turntrans55.630.4-176.4-162.343.1000113.8R26 S155 K157 I162R26-N159 WeakPolarHBondContact CG-OD1 3.4Å; S155-N159 CarbonylContact O-C 3.42Å; S155-N159 WeakPolarHBondContact O-CA 3.24Å; S155-N159 PolarHBondContact O-N 2.93Å; K157-N159 VanDerWaalsContact C-N 3.32Å; K157-N159 PolarHBondContact O-N 3.12Å; N159-I162 WeakPolarHBondContact OD1-CD1 3.16Å
160K98.3Very high97.9Very high103 Ų10345.8 Ų45.845%0.44821%0.214SC..BIsolated β-bridgetrans-84.9126.4-177.7-177.5-179.7177.2-178.20110.6T154 S155 D158 I162T154-K160 WeakPolarHBondContact CG2-O 3.38Å; S155-K160 PolarHBondContact N-O 3.13Å; S155-K160 VanDerWaalsContact N-O 3.17Å; S155-K160 PolarHBondContact O-N 3.18Å; D158-K160 PolarHBondContact O-N 3.27Å; K160-I162 PolarHBondContact O-N 2.97Å
161N98.1Very high97.9Very high48 Ų4848.1 Ų48.126%0.25722%0.222SC..SBendtrans63.310.3174-70.3-32.6000117.1A153 A165A153-N161 WeakPolarHBondContact O-CB 3.46Å; A153-N161 PolarHBondContact O-ND2 3Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 3.28Å
162I97.8Very high97.9Very high1 Ų148.7 Ų48.71%0.00523%0.227CC..Hα-helixtrans-66.2-59.3-179.4-59-179.3000111.7F23 R26 Y27 T154 V156 N159 K160 K164 A165 M166F23-I162 HydrophobicContact CD2-CG1 4.19Å; F23-I162 HydrophobicContact CD2-CG2 4.16Å; F23-I162 HydrophobicContact CE2-CB 4.13Å; F23-I162 HydrophobicContact CE2-CG1 4.07Å; F23-I162 HydrophobicContact CE2-CG2 3.71Å; F23-I162 HydrophobicContact CZ-CG2 4.03Å; R26-I162 HydrophobicContact CB-CD1 3.98Å; R26-I162 HydrophobicContact CG-CD1 3.23Å; Y27-I162 HydrophobicContact CD2-CG2 3.94Å; Y27-I162 HydrophobicContact CG-CG2 4.22Å; T154-I162 HydrophobicContact CG2-CG1 4.06Å; V156-I162 HydrophobicContact CG2-CD1 4.45Å; N159-I162 WeakPolarHBondContact OD1-CD1 3.16Å; K160-I162 PolarHBondContact O-N 2.97Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.12Å; I162-A165 PolarHBondContact O-N 3.09Å; I162-M166 PolarHBondContact O-N 3.48Å; I162-M166 VanDerWaalsContact O-N 3.08Å
163D97.3Very high97.8Very high84 Ų8447.8 Ų47.845%0.44922%0.223SC..Hα-helixtrans-65.2-34.6179.7-68.9-51.9000111.6Y27 K47 R167Y27-D163 VanDerWaalsContact CD2-OD1 3.31Å; Y27-D163 WeakPolarHBondContact CD2-OD1 3.29Å; Y27-D163 WeakPolarHBondContact CE2-OD1 2.91Å; K47-D163 IonicContact NZ-OD1 2.75Å; D163-R167 WeakPolarHBondContact O-CB 3.33Å; D163-R167 PolarHBondContact O-N 3.22Å
164K98.3Very high97.7Very high135 Ų13547.8 Ų47.859%0.58722%0.22SC*.Hα-helixtrans-63.1-46.1176.7-173.9-179178.6179.90111.7M152 I162 R168M152-K164 HydrophobicContact CE-CG 4.32Å; M152-K164 HydrophobicContact SD-CB 4.5Å; M152-K164 HydrophobicContact SD-CD 4.27Å; M152-K164 HydrophobicContact SD-CG 4.09Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.12Å; K164-R168 WeakPolarHBondContact O-CB 3.36Å; K164-R168 PolarHBondContact O-N 3.3Å
165A98.5Very high97.6Very high0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-61.9-50.2177.100000111.4I121 L123 M152 N161 I162 R167 R168 L169I121-A165 HydrophobicContact CD1-CB 3.83Å; I121-A165 WeakPolarHBondContact CD1-O 3.11Å; L123-A165 HydrophobicContact CD1-CB 4.36Å; L123-A165 HydrophobicContact CD2-CB 3.72Å; M152-A165 HydrophobicContact SD-CB 3.93Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 3.28Å; I162-A165 PolarHBondContact O-N 3.09Å; A165-R167 PolarHBondContact O-N 3.46Å; A165-R168 PolarHBondContact O-N 2.95Å; A165-L169 PolarHBondContact O-N 3.31Å
166M98.5Very high97.4Very high0 Ų052.7 Ų52.70%025%0.251CS..Hα-helixtrans-64.1-40.6179.8-69.9-56.6-57.700112.3I10 F23 Y27 V59 L61 V85 I162 L169 V170I10-M166 HydrophobicContact CD1-CE 3.82Å; I10-M166 HydrophobicContact CG2-CE 4.42Å; F23-M166 HydrophobicContact CE1-CG 4.11Å; F23-M166 HydrophobicContact CE1-SD 3.74Å; F23-M166 HydrophobicContact CZ-CG 3.83Å; F23-M166 HydrophobicContact CZ-SD 3.86Å; Y27-M166 HydrophobicContact CD1-CE 4.42Å; Y27-M166 HydrophobicContact CD1-CG 3.99Å; Y27-M166 HydrophobicContact CD2-CB 4.35Å; Y27-M166 HydrophobicContact CD2-CG 3.97Å; Y27-M166 HydrophobicContact CE1-CB 4.1Å; Y27-M166 HydrophobicContact CE1-CE 3.85Å; Y27-M166 HydrophobicContact CE1-CG 3.79Å; Y27-M166 HydrophobicContact CE1-SD 4.49Å; Y27-M166 HydrophobicContact CE2-CB 3.67Å; Y27-M166 HydrophobicContact CE2-CG 3.76Å; Y27-M166 HydrophobicContact CG-CG 4.08Å; V59-M166 HydrophobicContact CG1-CE 4.17Å; L61-M166 HydrophobicContact CD2-CE 3.76Å; V85-M166 HydrophobicContact CG2-SD 3.88Å; I162-M166 PolarHBondContact O-N 3.48Å; I162-M166 VanDerWaalsContact O-N 3.08Å; M166-L169 PolarHBondContact O-N 3.25Å; M166-V170 WeakPolarHBondContact O-CB 3.45Å; M166-V170 VanDerWaalsContact O-CG2 3.28Å; M166-V170 WeakPolarHBondContact O-CG2 3.47Å; M166-V170 PolarHBondContact O-N 3.4Å
167R98.1Very high97.1Very high129 Ų12955.1 Ų55.149%0.48726%0.263SS..Hα-helixtrans-59.3-48.2175175.1171.1-70.3-84.51.8111.5W51 D163 A165 L169 V170 E171W51-R167 HydrophobicContact CH2-CG 4.01Å; W51-R167 HydrophobicContact CZ3-CG 4.37Å; D163-R167 WeakPolarHBondContact O-CB 3.33Å; D163-R167 PolarHBondContact O-N 3.22Å; A165-R167 PolarHBondContact O-N 3.46Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 2.98Å; R167-V170 PolarHBondContact O-N 3.3Å; R167-E171 WeakPolarHBondContact CG-OE1 3.2Å; R167-E171 WeakPolarHBondContact O-CG 3.27Å; R167-E171 PolarHBondContact O-N 2.93Å
168R98.6Very high96.8Very high80 Ų8055.1 Ų55.130%0.30227%0.273SS..Hα-helixtrans-59.5-42177.5174.461.3-174.5-63.5-5.5112.4V149 T150 M152 K164 A165 E172V149-R168 PolarHBondContact O-NH2 3.18Å; V149-R168 VanDerWaalsContact O-NH2 3.08Å; T150-R168 HydrophobicContact CG2-CG 4.08Å; M152-R168 HydrophobicContact CE-CB 3.79Å; M152-R168 HydrophobicContact CE-CG 3.99Å; K164-R168 WeakPolarHBondContact O-CB 3.36Å; K164-R168 PolarHBondContact O-N 3.3Å; A165-R168 PolarHBondContact O-N 2.95Å; R168-E172 PolarHBondContact O-N 3.45Å; R168-E172 VanDerWaalsContact O-N 3.14Å
169L98.6Very high96.4Very high0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-66.9-42.7177.2177.260.1000111.7I10 V85 P119 I121 A165 M166 R167 E172 I173I10-L169 HydrophobicContact CD1-CD2 3.95Å; I10-L169 HydrophobicContact CD1-CG 4.31Å; I10-L169 HydrophobicContact CG2-CD2 3.74Å; V85-L169 HydrophobicContact CG2-CD2 3.69Å; P119-L169 HydrophobicContact CB-CD1 4.12Å; P119-L169 HydrophobicContact CG-CD1 4.35Å; I121-L169 HydrophobicContact CD1-CB 4.02Å; I121-L169 HydrophobicContact CD1-CD2 4.42Å; I121-L169 HydrophobicContact CG1-CB 4.4Å; I121-L169 HydrophobicContact CG1-CD2 4.28Å; I121-L169 HydrophobicContact CG2-CB 4.3Å; I121-L169 HydrophobicContact CG2-CD1 4.38Å; A165-L169 PolarHBondContact O-N 3.31Å; M166-L169 PolarHBondContact O-N 3.25Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 2.98Å; L169-E172 PolarHBondContact O-N 3.09Å; L169-I173 HydrophobicContact CD1-CD1 4Å; L169-I173 HydrophobicContact CD1-CG1 4.2Å; L169-I173 HydrophobicContact CG-CD1 3.84Å; L169-I173 HydrophobicContact CG-CG1 4.48Å; L169-I173 WeakPolarHBondContact O-CD1 3.39Å; L169-I173 VanDerWaalsContact O-CG1 3.23Å; L169-I173 WeakPolarHBondContact O-CG1 3.25Å; L169-I173 PolarHBondContact O-N 3.22Å
170V98.4Very high95.7Very high0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-62.9-42.4176.8170.40000111.2L8 I10 L49 W51 V57 V59 M166 R167 E172 I173 L174L8-V170 HydrophobicContact CD1-CB 4.44Å; L8-V170 HydrophobicContact CD1-CG1 3.97Å; L8-V170 HydrophobicContact CD1-CG2 4.15Å; I10-V170 HydrophobicContact CD1-CG2 4.36Å; L49-V170 HydrophobicContact CD1-CG2 4.35Å; W51-V170 HydrophobicContact CD2-CG1 4.48Å; W51-V170 HydrophobicContact CE3-CG1 4.02Å; W51-V170 HydrophobicContact CH2-CB 4.11Å; W51-V170 HydrophobicContact CH2-CG1 3.71Å; W51-V170 HydrophobicContact CZ2-CG1 4.2Å; W51-V170 HydrophobicContact CZ3-CB 4.15Å; W51-V170 HydrophobicContact CZ3-CG1 3.61Å; V57-V170 HydrophobicContact CG1-CG1 4.01Å; V57-V170 HydrophobicContact CG2-CG1 4.32Å; V59-V170 HydrophobicContact CG2-CG2 4.19Å; M166-V170 WeakPolarHBondContact O-CB 3.45Å; M166-V170 VanDerWaalsContact O-CG2 3.28Å; M166-V170 WeakPolarHBondContact O-CG2 3.47Å; M166-V170 PolarHBondContact O-N 3.4Å; R167-V170 PolarHBondContact O-N 3.3Å; V170-E172 VanDerWaalsContact C-N 3.33Å; V170-E172 PolarHBondContact O-N 3.44Å; V170-I173 PolarHBondContact O-N 2.88Å; V170-L174 HydrophobicContact CG1-CD1 3.82Å; V170-L174 HydrophobicContact CG1-CG 4.21Å; V170-L174 WeakPolarHBondContact O-CB 3.15Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.42Å; V170-L174 PolarHBondContact O-N 3.36Å
171E97.9Very high94.5Very high82 Ų8252.3 Ų52.338%0.38327%0.269SS..Hα-helixtrans-54.5-48.9173.4-79.2159.5-171.300111.6W51 R167 L174 S175W51-E171 HydrophobicContact CH2-CG 3.66Å; W51-E171 HydrophobicContact CZ2-CG 3.5Å; R167-E171 WeakPolarHBondContact CG-OE1 3.2Å; R167-E171 WeakPolarHBondContact O-CG 3.27Å; R167-E171 PolarHBondContact O-N 2.93Å; E171-L174 PolarHBondContact O-N 3.14Å; E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.33Å; E171-S175 PolarHBondContact O-N 3.03Å
172E97.8Very high92.3Very high61 Ų6154.4 Ų54.429%0.28529%0.285SS..Hα-helixtrans-61.6-47.2179.4-168.566.2-150.700111.8P119 V149 R168 L169 V170 L174 S175 I176P119-E172 HydrophobicContact CB-CB 4.37Å; P119-E172 HydrophobicContact CB-CG 3.71Å; P119-E172 HydrophobicContact CG-CG 4.42Å; V149-E172 HydrophobicContact CG1-CB 4.34Å; V149-E172 HydrophobicContact CG1-CG 3.99Å; V149-E172 HydrophobicContact CG2-CG 3.91Å; R168-E172 PolarHBondContact O-N 3.45Å; R168-E172 VanDerWaalsContact O-N 3.14Å; L169-E172 PolarHBondContact O-N 3.09Å; V170-E172 VanDerWaalsContact C-N 3.33Å; V170-E172 PolarHBondContact O-N 3.44Å; E172-L174 PolarHBondContact O-N 3.05Å; E172-S175 WeakPolarHBondContact O-CB 3.39Å; E172-S175 PolarHBondContact O-N 2.93Å; E172-I176 HydrophobicContact CG-CD1 4.05Å; E172-I176 VanDerWaalsContact O-CG1 3.31Å; E172-I176 WeakPolarHBondContact O-CG1 3.02Å; E172-I176 PolarHBondContact O-N 3.18Å
173I97.3Very high90.1Very high3 Ų362.3 Ų62.32%0.01533%0.326CS..Hα-helixtrans-61.4-46.2179.9-64.3162.9000110.9L8 I10 V82 P119 L169 V170 I176 Q177L8-I173 HydrophobicContact CD1-CB 4.42Å; L8-I173 HydrophobicContact CD1-CD1 4.39Å; L8-I173 HydrophobicContact CD1-CG2 4.16Å; L8-I173 HydrophobicContact CD2-CG2 3.77Å; I10-I173 HydrophobicContact CD1-CD1 3.86Å; I10-I173 HydrophobicContact CG1-CD1 4.06Å; V82-I173 HydrophobicContact CB-CG2 4.1Å; V82-I173 HydrophobicContact CG2-CD1 4.41Å; V82-I173 HydrophobicContact CG2-CG2 3.9Å; P119-I173 HydrophobicContact CG-CG1 3.55Å; L169-I173 HydrophobicContact CD1-CD1 4Å; L169-I173 HydrophobicContact CD1-CG1 4.2Å; L169-I173 HydrophobicContact CG-CD1 3.84Å; L169-I173 HydrophobicContact CG-CG1 4.48Å; L169-I173 WeakPolarHBondContact O-CD1 3.39Å; L169-I173 VanDerWaalsContact O-CG1 3.23Å; L169-I173 WeakPolarHBondContact O-CG1 3.25Å; L169-I173 PolarHBondContact O-N 3.22Å; V170-I173 PolarHBondContact O-N 2.88Å; I173-I176 PolarHBondContact O-N 3.28Å; I173-Q177 HydrophobicContact CG2-CG 4.42Å; I173-Q177 WeakPolarHBondContact O-CB 3.42Å; I173-Q177 WeakPolarHBondContact O-CG 3.49Å; I173-Q177 PolarHBondContact O-N 3.34Å
174L96Very high87.9Confident20 Ų2066.4 Ų66.411%0.10534%0.336CS..Hα-helixtrans-67-38.5-179.4-68.3178.3000111.9H6 L8 W51 V57 V170 E171 E172 Q177 S178H6-L174 HydrophobicContact CB-CD2 3.99Å; L8-L174 HydrophobicContact CD1-CD2 4.46Å; L8-L174 HydrophobicContact CD2-CD2 4.44Å; W51-L174 HydrophobicContact CD2-CD1 4.16Å; W51-L174 HydrophobicContact CG-CD1 4.32Å; W51-L174 HydrophobicContact CZ2-CD1 4.18Å; V57-L174 HydrophobicContact CG2-CD1 3.94Å; V170-L174 HydrophobicContact CG1-CD1 3.82Å; V170-L174 HydrophobicContact CG1-CG 4.21Å; V170-L174 WeakPolarHBondContact O-CB 3.15Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.42Å; V170-L174 PolarHBondContact O-N 3.36Å; E171-L174 PolarHBondContact O-N 3.14Å; E172-L174 PolarHBondContact O-N 3.05Å; L174-Q177 PolarHBondContact O-N 3.38Å; L174-S178 WeakPolarHBondContact O-CB 3.32Å; L174-S178 PolarHBondContact O-N 2.78Å
175S95.3Very high85.2Confident70 Ų7065.9 Ų65.949%0.4934%0.344SS..Hα-helixtrans-57.8-50.6173.3-179.80000110.7E171 E172 Q177 S178 S179E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.33Å; E171-S175 PolarHBondContact O-N 3.03Å; E172-S175 WeakPolarHBondContact O-CB 3.39Å; E172-S175 PolarHBondContact O-N 2.93Å; S175-Q177 PolarHBondContact O-N 3.38Å; S175-S178 PolarHBondContact O-N 3.46Å; S175-S178 PolarHBondContact O-OG 2.75Å; S175-S179 PolarHBondContact O-N 2.61Å; S175-S179 VanDerWaalsContact O-N 3.11Å
176I93.9Very high82.4Confident32 Ų3274.8 Ų74.816%0.16438%0.383CS..Hα-helixtrans-61.5-47.6178.1-66.1163.8000111.2L112 P119 E172 I173 S178 S179 L180L112-I176 HydrophobicContact CD1-CD1 4.43Å; L112-I176 HydrophobicContact CD1-CG2 3.58Å; P119-I176 HydrophobicContact CB-CD1 4.19Å; P119-I176 HydrophobicContact CG-CD1 3.94Å; E172-I176 HydrophobicContact CG-CD1 4.05Å; E172-I176 VanDerWaalsContact O-CG1 3.31Å; E172-I176 WeakPolarHBondContact O-CG1 3.02Å; E172-I176 PolarHBondContact O-N 3.18Å; I173-I176 PolarHBondContact O-N 3.28Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.6Å; I176-S179 PolarHBondContact O-N 3.07Å; I176-S179 PolarHBondContact O-OG 3.1Å; I176-L180 HydrophobicContact CG2-CD1 3.8Å; I176-L180 HydrophobicContact CG2-CG 4.25Å; I176-L180 WeakPolarHBondContact O-CG 3.44Å; I176-L180 PolarHBondContact O-N 2.75Å
177Q91.1Very high79.6Confident56 Ų5680.6 Ų80.626%0.26242%0.418SS..Hα-helixtrans-58.8-38.9178.1-75179.6-1300112.4I173 L174 S175 S179 L180 D181I173-Q177 HydrophobicContact CG2-CG 4.42Å; I173-Q177 WeakPolarHBondContact O-CB 3.42Å; I173-Q177 WeakPolarHBondContact O-CG 3.49Å; I173-Q177 PolarHBondContact O-N 3.34Å; L174-Q177 PolarHBondContact O-N 3.38Å; S175-Q177 PolarHBondContact O-N 3.38Å; Q177-S179 VanDerWaalsContact C-N 3.32Å; Q177-S179 PolarHBondContact O-N 3.01Å; Q177-L180 PolarHBondContact O-N 3.45Å; Q177-D181 PolarHBondContact O-N 3.07Å
178S89.7Confident77.1Confident82 Ų8283.5 Ų83.557%0.57344%0.437SS*.Hα-helixtrans-64.9-35.4176.375.80000112.7L174 S175 I176L174-S178 WeakPolarHBondContact O-CB 3.32Å; L174-S178 PolarHBondContact O-N 2.78Å; S175-S178 PolarHBondContact O-N 3.46Å; S175-S178 PolarHBondContact O-OG 2.75Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.6Å
179S88.1Confident74.3Confident84 Ų8487.9 Ų87.959%0.58747%0.467SS*.Hα-helixtrans-72.7-28.4176.774.80000113.4S175 I176 Q177S175-S179 PolarHBondContact O-N 2.61Å; S175-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-N 3.07Å; I176-S179 PolarHBondContact O-OG 3.1Å; Q177-S179 VanDerWaalsContact C-N 3.32Å; Q177-S179 PolarHBondContact O-N 3.01Å
180L81.7Confident71.4Confident62 Ų6291.7 Ų91.733%0.32551%0.506SS..Hα-helixtrans-85.7-14.4-179.4-65.7178.6000113.7N114 I176 Q177 P182N114-L180 HydrophobicContact CB-CD2 3.89Å; I176-L180 HydrophobicContact CG2-CD1 3.8Å; I176-L180 HydrophobicContact CG2-CG 4.25Å; I176-L180 WeakPolarHBondContact O-CG 3.44Å; I176-L180 PolarHBondContact O-N 2.75Å; Q177-L180 PolarHBondContact O-N 3.45Å; L180-P182 WeakPolarHBondContact O-CD 3.31Å
181D73.8Confident68.3Low69 Ų6996.5 Ų96.537%0.36955%0.546SS..  trans-105.766.8175.4-89.2-16000112.1Q177 L183 R184Q177-D181 PolarHBondContact O-N 3.07Å; D181-L183 PolarHBondContact O-N 3.24Å; D181-L183 VanDerWaalsContact O-N 3.1Å; D181-R184 HydrophobicContact CB-CG 4.38Å; D181-R184 PolarHBondContact O-N 3.3Å; D181-R184 WeakPolarHBondContact OD2-CD 3.35Å; D181-R184 IonicContact OD2-CZ 3.76Å; D181-R184 IonicContact OD2-NE 2.86Å; D181-R184 IonicContact OD2-NH1 3.89Å; D181-R184 PolarHBondContact OD2-NH1 3.2Å
182P52.5Low65.4Low92 Ų92100 Ų10060%0.59756%0.562SS**G310 helixtrans-68.2-8.717925.5-31.8000114.3L180 T185L180-P182 WeakPolarHBondContact O-CD 3.31Å; P182-T185 PolarHBondContact O-OG1 3.08Å
183L51.3Low62.5Low167 Ų167103 Ų10387%0.87459%0.587SS**G310 helixtrans-86.1-2.4177-76.8160.1000113.9D181D181-L183 PolarHBondContact O-N 3.24Å; D181-L183 VanDerWaalsContact O-N 3.1Å
184R51.2Low59.7Low170 Ų170110.2 Ų110.264%0.64262%0.62SS**G310 helixtrans-94.1-6.6178.4-78.3-178164.9165.6-8.5114.8D181D181-R184 HydrophobicContact CB-CG 4.38Å; D181-R184 PolarHBondContact O-N 3.3Å; D181-R184 WeakPolarHBondContact OD2-CD 3.35Å; D181-R184 IonicContact OD2-CZ 3.76Å; D181-R184 IonicContact OD2-NE 2.86Å; D181-R184 IonicContact OD2-NH1 3.89Å; D181-R184 PolarHBondContact OD2-NH1 3.2Å
185T41.6Very low56.8Low124 Ų124118.7 Ų118.776%0.76166%0.659SS**SBendtrans-104.112.9-178400000114.3P182P182-T185 PolarHBondContact O-OG1 3.08Å
186K38.1Very low53.9Low187 Ų187124.1 Ų124.181%0.81368%0.677SS**SBendtrans-126.850.2177.5-71.5-169.6177.2-1770113.8
187T41.2Very low51Low122 Ų122127.6 Ų127.675%0.74870%0.704SS**SBendtrans-149.876.8160.748.70000108.4
188E46Very low48.3Very low190 Ų190133.5 Ų133.589%0.88873%0.732SS**SBendtrans17768.8157-99.7169.6-149.900106.8
189D39.2Very low45.8Very low172 Ų172137.8 Ų137.892%0.9275%0.747SS**SBendtrans-160.3129146.6-95-26.5000107.9
190G37.2Very low43.4Very low80 Ų80139.3 Ų139.383%0.82576%0.758SS**  trans-79.6164.7-143.800000118.7
191A33.3Very low41.3Very low101 Ų101144.2 Ų144.284%0.83578%0.784SS**  trans-162.991.2144.200000109.2
192H36.3Very low39.6Very low156 Ų156146.2 Ų146.272%0.72280%0.804SS**  trans-86.3141139.3-102.6-74.2000106.2E194H192-E194 IonicContact CE1-OE1 3.92Å
193P38.2Very low38.9Very low124 Ų124146.5 Ų146.581%0.80581%0.814SS**  -131.6139.291.919.10.1000113.2
194E37.9Very low38.1Very low155 Ų155142 Ų14272%0.72481%0.808SS**  trans-70.8143.8157.2-66.9170.1155.500109.7H192H192-E194 IonicContact CE1-OE1 3.92Å
195Q34.5Very low37.7Very low198 Ų198144 Ų14493%0.92582%0.822SS**  -160.6122.4127.8-110.8174.6-7.500111
196E34.9Very low37.7Very low183 Ų183143.3 Ų143.386%0.85582%0.822SS**  trans-64.9151171.3-63.5171.4133.900111.8
197S32.2Very low37.8Very low105 Ų105140.1 Ų140.173%0.73482%0.822SS**  164.3150.4105.456.80000114.1
198Q35.6Very low38.1Very low181 Ų181143.8 Ų143.885%0.84685%0.85SS**  trans104.596.7153.2-49.7-147.70.500118.3
199L38Very low37.7Very low172 Ų172141.5 Ų141.590%0.90185%0.848SS**  trans-63.2138.2146.3-73.197.3000110.3
200S37.7Very low37.6Very low116 Ų116139.8 Ų139.881%0.81184%0.844SS**  trans-148.8123.1147.864.10000111.1
201N35.5Very low37.7Very low164 Ų164143.2 Ų143.288%0.87785%0.845SS**  trans-59.3145.2169.8-81.5-31.6000113
202S39.3Very low37.9Very low112 Ų112145.6 Ų145.678%0.78385%0.846SS**  trans176.697.8149.11660000108.5
203A38.3Very low38Very low98 Ų98145 Ų14581%0.8185%0.854SS**  57.211096.200000116.1
204G34.8Very low38Very low73 Ų73146.4 Ų146.475%0.75386%0.857SS**  trans111.2129.6135.500000120.2
205K42.5Very low38Very low211 Ų211145.8 Ų145.892%0.91787%0.866SS**  trans83.4116.3157.8-59.6174.81771770116.2
206S40.4Very low38.3Very low110 Ų110141.8 Ų141.877%0.76986%0.862SS**  85.7123.753-177.30000114.4
207C41.4Very low38.6Very low120 Ų120138.3 Ų138.381%0.81186%0.862SS**  trans67.6144.5163.8-89.20000117.8
208C47.1Very low39.1Very low198 Ų198141.4 Ų141.4100%1.33887%0.874SS**  cis-132.4013.3-79.60000111.3

Retrieved 208 of 208 residues in 517.9 ms (Link to these results)

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