A0A060VPB0_ONCMY Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A060VPB0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110517409, Length 92 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
1M65.3Low87.6Confident171 Ų17192.5 Ų92.584%0.84252%0.523SS*.  01430-72.6-170.8-167.400108.1Q5 Q6M1-Q5 HydrophobicContact CB-CB 4.04Å; M1-Q5 HydrophobicContact CG-CB 4.48Å; M1-Q6 HydrophobicContact CB-CG 3.89Å
2S91.6Very high87.8Confident62 Ų6291 Ų9143%0.43451%0.511SS..  trans-68.2158.8171.166.10000110.5I4 Q5 Q6S2-I4 PolarHBondContact O-N 2.69Å; S2-Q5 VanDerWaalsContact N-OE1 3.11Å; S2-Q5 WeakPolarHBondContact O-CB 3.31Å; S2-Q5 PolarHBondContact O-N 3.47Å; S2-Q5 WeakPolarHBondContact OG-CG 3.39Å; S2-Q5 PolarHBondContact OG-N 3.2Å; S2-Q6 PolarHBondContact O-N 2.72Å
3G91.4Very high88Confident55 Ų5588.3 Ų88.357%0.56751%0.508SS*.Hα-helixtrans-56.4-34.617900000113Q6 A7G3-Q6 PolarHBondContact O-N 3.36Å; G3-A7 PolarHBondContact O-N 3.48Å
4I87.9Confident88.1Confident128 Ų12883.6 Ų83.666%0.65648%0.482SS*.Hα-helixtrans-66.7-44.2175.4-60.6175.6000111.1S2 Q6 A7 M8S2-I4 PolarHBondContact O-N 2.69Å; I4-Q6 VanDerWaalsContact C-N 3.28Å; I4-Q6 PolarHBondContact O-N 3.06Å; I4-A7 PolarHBondContact O-N 3.18Å; I4-M8 HydrophobicContact CG2-CG 4.48Å; I4-M8 HydrophobicContact CG2-SD 4.25Å; I4-M8 WeakPolarHBondContact O-CG 3.3Å; I4-M8 PolarHBondContact O-N 2.92Å
5Q88.8Confident88.3Confident108 Ų10878.1 Ų78.151%0.50545%0.451SS..Hα-helixtrans-61.9-37.8176.4-76.2173.4-18.300111.9M1 S2 S9M1-Q5 HydrophobicContact CB-CB 4.04Å; M1-Q5 HydrophobicContact CG-CB 4.48Å; S2-Q5 VanDerWaalsContact N-OE1 3.11Å; S2-Q5 WeakPolarHBondContact O-CB 3.31Å; S2-Q5 PolarHBondContact O-N 3.47Å; S2-Q5 WeakPolarHBondContact OG-CG 3.39Å; S2-Q5 PolarHBondContact OG-N 3.2Å; Q5-S9 WeakPolarHBondContact O-CB 3.19Å; Q5-S9 PolarHBondContact O-N 2.81Å
6Q90.7Very high88.3Confident110 Ų11078.9 Ų78.951%0.51445%0.449SS..Hα-helixtrans-66.1-44.1174.6-71.3-179.8-60.400111.7M1 S2 G3 I4 M8 S9 L10M1-Q6 HydrophobicContact CB-CG 3.89Å; S2-Q6 PolarHBondContact O-N 2.72Å; G3-Q6 PolarHBondContact O-N 3.36Å; I4-Q6 VanDerWaalsContact C-N 3.28Å; I4-Q6 PolarHBondContact O-N 3.06Å; Q6-M8 VanDerWaalsContact C-N 3.35Å; Q6-M8 PolarHBondContact O-N 2.67Å; Q6-S9 PolarHBondContact O-N 3.28Å; Q6-L10 WeakPolarHBondContact O-CG 3.43Å; Q6-L10 PolarHBondContact O-N 2.86Å
7A88.4Confident88.4Confident50 Ų5081.5 Ų81.541%0.41345%0.454SS..Hα-helixtrans-60.6-43.2176.500000112.1G3 I4 S9 L10 L11G3-A7 PolarHBondContact O-N 3.48Å; I4-A7 PolarHBondContact O-N 3.18Å; A7-S9 PolarHBondContact O-N 3.16Å; A7-L10 PolarHBondContact O-N 3.24Å; A7-L11 WeakPolarHBondContact O-CB 3.13Å; A7-L11 PolarHBondContact O-N 2.94Å
8M89.3Confident88.4Confident110 Ų11077.8 Ų77.854%0.54243%0.432SS..Hα-helixtrans-61.4-44.2174.6-69.8177.772.300111.6I4 Q6 L10 L11 I12I4-M8 HydrophobicContact CG2-CG 4.48Å; I4-M8 HydrophobicContact CG2-SD 4.25Å; I4-M8 WeakPolarHBondContact O-CG 3.3Å; I4-M8 PolarHBondContact O-N 2.92Å; Q6-M8 VanDerWaalsContact C-N 3.35Å; Q6-M8 PolarHBondContact O-N 2.67Å; M8-L10 VanDerWaalsContact C-N 3.32Å; M8-L10 PolarHBondContact O-N 3.16Å; M8-L11 WeakPolarHBondContact O-CB 3.5Å; M8-L11 PolarHBondContact O-N 3.36Å; M8-I12 WeakPolarHBondContact O-CD1 3.25Å; M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.21Å; M8-I12 PolarHBondContact O-N 3.42Å
9S90.1Very high88.4Confident64 Ų6474.3 Ų74.345%0.44841%0.413SS..Hα-helixtrans-63.3-38.6177.5-170.50000112.2Q5 Q6 A7 A13Q5-S9 WeakPolarHBondContact O-CB 3.19Å; Q5-S9 PolarHBondContact O-N 2.81Å; Q6-S9 PolarHBondContact O-N 3.28Å; A7-S9 PolarHBondContact O-N 3.16Å; S9-A13 VanDerWaalsContact O-CB 3.25Å; S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 3.27Å
10L90.3Very high88Confident113 Ų11372.4 Ų72.459%0.59241%0.411SS*.Hα-helixtrans-66.7-43.3176.1-73.8169.2000111.5Q6 A7 M8 I12 A13 S14Q6-L10 WeakPolarHBondContact O-CG 3.43Å; Q6-L10 PolarHBondContact O-N 2.86Å; A7-L10 PolarHBondContact O-N 3.24Å; M8-L10 VanDerWaalsContact C-N 3.32Å; M8-L10 PolarHBondContact O-N 3.16Å; L10-I12 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 2.8Å; L10-S14 WeakPolarHBondContact O-CB 3.25Å; L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 PolarHBondContact O-OG 3.02Å
11L89.7Confident87.4Confident47 Ų4774.5 Ų74.525%0.24642%0.416CS..Hα-helixtrans-55.5-49174.3-101.4158.7000112.3A7 M8 S14 F15 Y74 V78A7-L11 WeakPolarHBondContact O-CB 3.13Å; A7-L11 PolarHBondContact O-N 2.94Å; M8-L11 WeakPolarHBondContact O-CB 3.5Å; M8-L11 PolarHBondContact O-N 3.36Å; L11-S14 PolarHBondContact O-N 3.34Å; L11-F15 PolarHBondContact O-N 2.86Å; L11-Y74 HydrophobicContact CD2-CD1 4.4Å; L11-Y74 HydrophobicContact CD2-CE1 3.48Å; L11-Y74 VanDerWaalsContact CD2-CE1 3.48Å; L11-V78 HydrophobicContact CD1-CG1 4.44Å; L11-V78 HydrophobicContact CD2-CB 3.98Å; L11-V78 HydrophobicContact CD2-CG1 3.93Å; L11-V78 HydrophobicContact CD2-CG2 3.72Å
12I90.6Very high87.5Confident74 Ų7472.1 Ų72.138%0.37940%0.403SS..Hα-helixtrans-64.8-45.2178.7-65.5163.8000110.5M8 L10 F15 H16 F71M8-I12 WeakPolarHBondContact O-CD1 3.25Å; M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.21Å; M8-I12 PolarHBondContact O-N 3.42Å; L10-I12 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 3.17Å; I12-H16 PolarHBondContact O-CD2 3.49Å; I12-H16 PolarHBondContact O-N 2.98Å; I12-F71 HydrophobicContact CG1-CE2 3.95Å; I12-F71 HydrophobicContact CG1-CZ 3.59Å
13A90.4Very high86.6Confident56 Ų5673 Ų7346%0.46342%0.422SS..Hα-helixtrans-63.8-42.3179.400000111.9S9 L10 H16 K17S9-A13 VanDerWaalsContact O-CB 3.25Å; S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 3.27Å; L10-A13 PolarHBondContact O-N 2.8Å; A13-H16 PolarHBondContact O-N 2.91Å; A13-K17 WeakPolarHBondContact O-CB 3.38Å; A13-K17 PolarHBondContact O-N 3.48Å
14S89.7Confident86Confident22 Ų2274.2 Ų74.215%0.15442%0.415CS..Hα-helixtrans-63.9-45.1175.9-69.20000110.8L10 L11 H16 K17 Y18L10-S14 WeakPolarHBondContact O-CB 3.25Å; L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 PolarHBondContact O-OG 3.02Å; L11-S14 PolarHBondContact O-N 3.34Å; S14-H16 PolarHBondContact O-N 3.26Å; S14-K17 WeakPolarHBondContact O-CB 3.41Å; S14-K17 PolarHBondContact O-N 3.22Å; S14-Y18 WeakPolarHBondContact O-CD2 3.35Å; S14-Y18 PolarHBondContact O-N 3.37Å
15F89.8Confident85.7Confident1 Ų174.6 Ų74.60%0.00441%0.412CS..Hα-helixtrans-55.4-54175.2-178-94.8000111.8L11 I12 K17 Y18 S19 F26 L28 F71 Y74L11-F15 PolarHBondContact O-N 2.86Å; I12-F15 PolarHBondContact O-N 3.17Å; F15-K17 PolarHBondContact O-N 3.45Å; F15-Y18 PolarHBondContact O-N 2.78Å; F15-Y18 VanDerWaalsContact O-N 3.17Å; F15-S19 WeakPolarHBondContact O-CB 3.32Å; F15-S19 PolarHBondContact O-N 2.78Å; F15-S19 PolarHBondContact O-OG 3.41Å; F15-F26 WeakPolarHBondContact CZ-O 3.39Å; F15-L28 HydrophobicContact CD2-CD1 3.54Å; F15-L28 HydrophobicContact CD2-CG 4.07Å; F15-L28 HydrophobicContact CE2-CD1 3.44Å; F15-L28 VanDerWaalsContact CE2-CD1 3.44Å; F15-L28 HydrophobicContact CE2-CG 3.66Å; F15-L28 HydrophobicContact CZ-CD1 4.42Å; F15-L28 HydrophobicContact CZ-CG 4.18Å; F15-F71 HydrophobicContact CB-CD2 4.04Å; F15-F71 HydrophobicContact CB-CE2 4.14Å; F15-F71 AromaticContact CD1-CD2 3.76Å; F15-F71 HydrophobicContact CD1-CD2 3.76Å; F15-F71 HydrophobicContact CD2-CD2 4.05Å; F15-F71 HydrophobicContact CE1-CB 4.12Å; F15-F71 HydrophobicContact CE1-CD2 4.2Å; F15-F71 HydrophobicContact CE2-CB 4.42Å; F15-F71 HydrophobicContact CE2-CD2 4.44Å; F15-F71 AromaticContact CG-CD2 3.68Å; F15-F71 HydrophobicContact CG-CD2 3.68Å; F15-F71 HydrophobicContact CG-CE2 4.29Å; F15-F71 HydrophobicContact CZ-CB 4.06Å; F15-Y74 HydrophobicContact CB-CD1 4.01Å; F15-Y74 HydrophobicContact CB-CE1 3.89Å; F15-Y74 AromaticContact CD2-CD1 3.55Å; F15-Y74 HydrophobicContact CD2-CD1 3.55Å; F15-Y74 HydrophobicContact CD2-CD2 4.16Å; F15-Y74 HydrophobicContact CD2-CE1 4.19Å; F15-Y74 AromaticContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CE2-CD1 4.43Å; F15-Y74 HydrophobicContact CE2-CG 4.1Å; F15-Y74 HydrophobicContact CG-CD1 4.16Å
16H89.2Confident85.5Confident92 Ų9275.4 Ų75.443%0.42641%0.414SS..Hα-helixtrans-70.2-15.7-179-75.4-62.9000115I12 A13 S14 S19I12-H16 PolarHBondContact O-CD2 3.49Å; I12-H16 PolarHBondContact O-N 2.98Å; A13-H16 PolarHBondContact O-N 2.91Å; S14-H16 PolarHBondContact O-N 3.26Å; H16-S19 WeakPolarHBondContact CA-OG 3.41Å
17K89.7Confident85.4Confident123 Ų12371.3 Ų71.354%0.53540%0.396SS..Hα-helixtrans-73.1-31.2173.2176.7-173.1171.2-164.60111.8A13 S14 F15 E40A13-K17 WeakPolarHBondContact O-CB 3.38Å; A13-K17 PolarHBondContact O-N 3.48Å; S14-K17 WeakPolarHBondContact O-CB 3.41Å; S14-K17 PolarHBondContact O-N 3.22Å; F15-K17 PolarHBondContact O-N 3.45Å; K17-E40 IonicContact NZ-OE1 2.59Å; K17-E40 PolarHBondContact NZ-OE1 2.92Å
18Y89Confident85.5Confident15 Ų1568.9 Ų68.96%0.05938%0.377CS..Hα-helixtrans-101.8-28.7178.9-61-83.4000112.7S14 F15 E32 E35 L36 A39 E40S14-Y18 WeakPolarHBondContact O-CD2 3.35Å; S14-Y18 PolarHBondContact O-N 3.37Å; F15-Y18 PolarHBondContact O-N 2.78Å; F15-Y18 VanDerWaalsContact O-N 3.17Å; Y18-E32 WeakPolarHBondContact O-CG 3.38Å; Y18-E35 HydrophobicContact CD1-CB 4.12Å; Y18-E35 HydrophobicContact CE1-CB 4.41Å; Y18-L36 HydrophobicContact CD1-CB 4.21Å; Y18-L36 HydrophobicContact CD2-CB 3.67Å; Y18-L36 HydrophobicContact CD2-CD1 3.67Å; Y18-L36 HydrophobicContact CD2-CG 3.54Å; Y18-L36 HydrophobicContact CE2-CB 4.17Å; Y18-L36 HydrophobicContact CE2-CD1 4.45Å; Y18-L36 HydrophobicContact CE2-CG 3.93Å; Y18-L36 HydrophobicContact CG-CB 3.74Å; Y18-L36 HydrophobicContact CG-CD1 4.23Å; Y18-L36 HydrophobicContact CG-CG 4.13Å; Y18-A39 HydrophobicContact CE1-CB 4.2Å; Y18-A39 WeakPolarHBondContact OH-CB 3.29Å; Y18-E40 HydrophobicContact CE2-CG 3.66Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.41Å; Y18-E40 PolarHBondContact OH-OE1 2.83Å
19S87.8Confident85.4Confident10 Ų1064.8 Ų64.87%0.0736%0.359CS..THydrogen-bonded Turntrans-72.8146.1177.277.10000111.8F15 H16 K21 K25 T27F15-S19 WeakPolarHBondContact O-CB 3.32Å; F15-S19 PolarHBondContact O-N 2.78Å; F15-S19 PolarHBondContact O-OG 3.41Å; H16-S19 WeakPolarHBondContact CA-OG 3.41Å; S19-K21 VanDerWaalsContact C-N 3.33Å; S19-K21 PolarHBondContact O-N 2.79Å; S19-K25 PolarHBondContact OG-O 3.42Å; S19-T27 WeakPolarHBondContact CB-O 3.44Å
20G79.8Confident85.2Confident36 Ų3665.7 Ų65.737%0.37136%0.355SS..THydrogen-bonded Turntrans7712.2177.300000115.7E22 D24 E32G20-E22 VanDerWaalsContact C-N 3.35Å; G20-D24 PolarHBondContact N-O 3.33Å; G20-E32 PolarHBondContact N-OE1 2.94Å
21K76.7Confident85Confident117 Ų11764.2 Ų64.251%0.50935%0.35SS..SBendtrans-70.6-36.3163.8-66.2-176.9-179.8-177.70110.5S19 E32 E35S19-K21 VanDerWaalsContact C-N 3.33Å; S19-K21 PolarHBondContact O-N 2.79Å; K21-E32 VanDerWaalsContact CA-OE1 3.3Å; K21-E32 WeakPolarHBondContact CA-OE1 3.49Å; K21-E32 HydrophobicContact CB-CG 4.29Å; K21-E32 VanDerWaalsContact CB-OE1 3.31Å; K21-E32 WeakPolarHBondContact CB-OE1 3.4Å; K21-E32 PolarHBondContact N-OE1 2.59Å; K21-E35 IonicContact NZ-OE2 2.69Å; K21-E35 PolarHBondContact NZ-OE2 2.91Å
22E67.3Low84.9Confident122 Ų12262.1 Ų62.157%0.5734%0.339SS*.SBendtrans-133.1112.6173.6-73.7-169.5136.800111.1G20 E32G20-E22 VanDerWaalsContact C-N 3.35Å; E22-E32 PolarHBondContact N-OE1 3.19Å
23G71.3Confident84.7Confident81 Ų8158.6 Ų58.684%0.83532%0.321SS*.SBendtrans89.6-118.9172.300000114
24D79.6Confident84.5Confident80 Ų8059.4 Ų59.443%0.42831%0.314SS..  trans-85.2132.7-174.7-163.1-30.8000111.1G20 F26G20-D24 PolarHBondContact N-O 3.33Å; D24-F26 PolarHBondContact O-N 3.14Å; D24-F26 VanDerWaalsContact OD1-CD2 3.31Å; D24-F26 WeakPolarHBondContact OD1-CD2 3.39Å; D24-F26 PolarHBondContact OD1-N 2.86Å
25K81.9Confident84.3Confident136 Ų13662.2 Ų62.259%0.59133%0.325SS*.THydrogen-bonded Turntrans-72.1-12.8178.358.1-175.5172.2-177.90114.1S19S19-K25 PolarHBondContact OG-O 3.42Å
26F85.3Confident84.3Confident124 Ų12462.1 Ų62.154%0.54433%0.325SS..THydrogen-bonded Turntrans-103.4-3.9-178.6-57.9-67.4000113.9F15 D24F15-F26 WeakPolarHBondContact CZ-O 3.39Å; D24-F26 PolarHBondContact O-N 3.14Å; D24-F26 VanDerWaalsContact OD1-CD2 3.31Å; D24-F26 WeakPolarHBondContact OD1-CD2 3.39Å; D24-F26 PolarHBondContact OD1-N 2.86Å
27T88.7Confident84Confident24 Ų2457.9 Ų57.915%0.14731%0.305CS..EExtended strand (participates in β ladder)trans-130156.9177.166.50000110.6S19 V69 D70S19-T27 WeakPolarHBondContact CB-O 3.44Å; T27-V69 CarbonylContact C-O 3.6Å; T27-V69 WeakPolarHBondContact CA-O 3.31Å; T27-D70 HydrophobicContact CG2-CB 4.35Å
28L88.7Confident83.6Confident0 Ų056.3 Ų56.30%030%0.299CS..EExtended strand (participates in β ladder)trans-100.1125.4172.7-71165000108.7F15 E32 L33 L36 T68 V69 Y74F15-L28 HydrophobicContact CD2-CD1 3.54Å; F15-L28 HydrophobicContact CD2-CG 4.07Å; F15-L28 HydrophobicContact CE2-CD1 3.44Å; F15-L28 VanDerWaalsContact CE2-CD1 3.44Å; F15-L28 HydrophobicContact CE2-CG 3.66Å; F15-L28 HydrophobicContact CZ-CD1 4.42Å; F15-L28 HydrophobicContact CZ-CG 4.18Å; L28-E32 WeakPolarHBondContact CA-OE2 3.39Å; L28-E32 HydrophobicContact CB-CB 4.41Å; L28-E32 HydrophobicContact CD2-CB 3.68Å; L28-L33 HydrophobicContact CB-CB 4.43Å; L28-L33 HydrophobicContact CD1-CD1 4.1Å; L28-L36 HydrophobicContact CD1-CD1 3.92Å; L28-T68 CarbonylContact O-C 3.1Å; L28-T68 WeakPolarHBondContact O-CA 3.36Å; L28-V69 HydrophobicContact CB-CB 4.24Å; L28-V69 PolarHBondContact N-O 3.33Å; L28-V69 PolarHBondContact O-N 2.88Å; L28-Y74 HydrophobicContact CD1-CD2 4.3Å
29S88.4Confident83.5Confident24 Ų2458.7 Ų58.717%0.16832%0.323CS..EExtended strand (participates in β ladder)trans-68.8165165.182.50000110.3V31 E32 L33S29-V31 PolarHBondContact O-N 2.97Å; S29-V31 VanDerWaalsContact O-N 3.16Å; S29-V31 PolarHBondContact OG-N 3.41Å; S29-E32 PolarHBondContact N-OE2 3.02Å; S29-E32 PolarHBondContact O-N 3.02Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 WeakPolarHBondContact OG-CG 3.45Å; S29-E32 PolarHBondContact OG-N 3.25Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 PolarHBondContact O-N 3.03Å
30K84.7Confident83.3Confident83 Ų8362.2 Ų62.236%0.36134%0.338SS..Hα-helixtrans-55.7-33.2175-172.7177.7178.5-174.90113.4K34 D55 F58K30-K34 WeakPolarHBondContact O-CB 3.24Å; K30-K34 PolarHBondContact O-N 3.23Å; K30-K34 VanDerWaalsContact O-N 3.16Å; K30-D55 VanDerWaalsContact CE-CG 3.48Å; K30-D55 WeakPolarHBondContact CE-OD1 3.4Å; K30-D55 WeakPolarHBondContact CE-OD2 3.35Å; K30-D55 IonicContact NZ-OD1 2.94Å; K30-D55 PolarHBondContact NZ-OD1 3.42Å; K30-D55 IonicContact NZ-OD2 3.06Å; K30-D55 PolarHBondContact NZ-OD2 3.39Å; K30-F58 HydrophobicContact CB-CD2 3.83Å; K30-F58 HydrophobicContact CB-CE1 4.45Å; K30-F58 HydrophobicContact CB-CE2 3.6Å; K30-F58 HydrophobicContact CB-CG 4.37Å; K30-F58 HydrophobicContact CB-CZ 3.95Å; K30-F58 HydrophobicContact CD-CD1 4.44Å; K30-F58 HydrophobicContact CD-CG 4.47Å; K30-F58 HydrophobicContact CG-CD1 4.38Å; K30-F58 HydrophobicContact CG-CD2 3.83Å; K30-F58 HydrophobicContact CG-CE2 4.12Å; K30-F58 HydrophobicContact CG-CG 3.99Å
31V85.9Confident83.2Confident82 Ų8261.7 Ų61.750%0.49733%0.326SS..Hα-helixtrans-73-45.7178.9-178.70000110.1S29 K34 E35S29-V31 PolarHBondContact O-N 2.97Å; S29-V31 VanDerWaalsContact O-N 3.16Å; S29-V31 PolarHBondContact OG-N 3.41Å; V31-K34 WeakPolarHBondContact O-CB 3.49Å; V31-K34 PolarHBondContact O-N 3.24Å; V31-E35 PolarHBondContact O-N 2.97Å
32E88.7Confident83Confident3 Ų357.1 Ų57.11%0.01431%0.312CS..Hα-helixtrans-65.7-42.3179-65.4171.8146.300111.9Y18 G20 K21 E22 L28 S29 K34 E35 L36Y18-E32 WeakPolarHBondContact O-CG 3.38Å; G20-E32 PolarHBondContact N-OE1 2.94Å; K21-E32 VanDerWaalsContact CA-OE1 3.3Å; K21-E32 WeakPolarHBondContact CA-OE1 3.49Å; K21-E32 HydrophobicContact CB-CG 4.29Å; K21-E32 VanDerWaalsContact CB-OE1 3.31Å; K21-E32 WeakPolarHBondContact CB-OE1 3.4Å; K21-E32 PolarHBondContact N-OE1 2.59Å; E22-E32 PolarHBondContact N-OE1 3.19Å; L28-E32 WeakPolarHBondContact CA-OE2 3.39Å; L28-E32 HydrophobicContact CB-CB 4.41Å; L28-E32 HydrophobicContact CD2-CB 3.68Å; S29-E32 PolarHBondContact N-OE2 3.02Å; S29-E32 PolarHBondContact O-N 3.02Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 WeakPolarHBondContact OG-CG 3.45Å; S29-E32 PolarHBondContact OG-N 3.25Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.16Å; E32-E35 PolarHBondContact O-N 2.88Å; E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 2.85Å
33L86.8Confident83.2Confident0 Ų060.8 Ų60.80%033%0.329CS..Hα-helixtrans-59.1-45.1173.9-175.873.4000110.1L28 S29 E35 L36 L37 F58 L61 V69L28-L33 HydrophobicContact CB-CB 4.43Å; L28-L33 HydrophobicContact CD1-CD1 4.1Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 PolarHBondContact O-N 3.03Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.21Å; L33-L36 PolarHBondContact O-N 2.98Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CD2-CD1 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.04Å; L33-L37 HydrophobicContact CG-CG 4.19Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.93Å; L33-F58 HydrophobicContact CB-CD2 4.41Å; L33-F58 HydrophobicContact CD2-CB 4.07Å; L33-F58 HydrophobicContact CD2-CD2 3.59Å; L33-F58 HydrophobicContact CD2-CG 4.31Å; L33-L61 HydrophobicContact CD1-CD1 4.44Å; L33-L61 HydrophobicContact CD2-CD1 3.96Å; L33-V69 HydrophobicContact CD2-CG2 4.18Å
34K84.7Confident83Confident72 Ų7261.3 Ų61.331%0.31331%0.311SS..Hα-helixtrans-57.8-46.6177.5-178.3-178.3174.1-160.70111.5K30 V31 E32 L37 Q38 V54K30-K34 WeakPolarHBondContact O-CB 3.24Å; K30-K34 PolarHBondContact O-N 3.23Å; K30-K34 VanDerWaalsContact O-N 3.16Å; V31-K34 WeakPolarHBondContact O-CB 3.49Å; V31-K34 PolarHBondContact O-N 3.24Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.16Å; K34-L37 PolarHBondContact O-N 3.45Å; K34-Q38 WeakPolarHBondContact O-CB 3.43Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.45Å; K34-V54 HydrophobicContact CB-CG1 3.82Å; K34-V54 HydrophobicContact CG-CG1 3.99Å; K34-V54 HydrophobicContact CG-CG2 4.35Å
35E87.5Confident82.4Confident81 Ų8158.9 Ų58.938%0.37930%0.298SS..Hα-helixtrans-61-45.7177.5-73.5-168.1162.600111.8Y18 K21 V31 E32 L33 L37 Q38 A39Y18-E35 HydrophobicContact CD1-CB 4.12Å; Y18-E35 HydrophobicContact CE1-CB 4.41Å; K21-E35 IonicContact NZ-OE2 2.69Å; K21-E35 PolarHBondContact NZ-OE2 2.91Å; V31-E35 PolarHBondContact O-N 2.97Å; E32-E35 PolarHBondContact O-N 2.88Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.21Å; E35-L37 PolarHBondContact O-N 3.46Å; E35-Q38 PolarHBondContact O-N 3.39Å; E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.38Å
36L88.3Confident81.7Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-57.7-50.3177-173.2161.1000110.7Y18 L28 E32 L33 Q38 A39 E40 L41 Y74Y18-L36 HydrophobicContact CD1-CB 4.21Å; Y18-L36 HydrophobicContact CD2-CB 3.67Å; Y18-L36 HydrophobicContact CD2-CD1 3.67Å; Y18-L36 HydrophobicContact CD2-CG 3.54Å; Y18-L36 HydrophobicContact CE2-CB 4.17Å; Y18-L36 HydrophobicContact CE2-CD1 4.45Å; Y18-L36 HydrophobicContact CE2-CG 3.93Å; Y18-L36 HydrophobicContact CG-CB 3.74Å; Y18-L36 HydrophobicContact CG-CD1 4.23Å; Y18-L36 HydrophobicContact CG-CG 4.13Å; L28-L36 HydrophobicContact CD1-CD1 3.92Å; E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 2.85Å; L33-L36 PolarHBondContact O-N 2.98Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.34Å; L36-A39 PolarHBondContact O-N 3.49Å; L36-E40 HydrophobicContact CD2-CB 4.47Å; L36-E40 HydrophobicContact CD2-CG 4.49Å; L36-E40 HydrophobicContact CG-CG 4.36Å; L36-E40 WeakPolarHBondContact O-CB 3.44Å; L36-E40 PolarHBondContact O-N 3.04Å; L36-L41 HydrophobicContact CD2-CD1 4.47Å; L36-Y74 HydrophobicContact CD1-CD2 4.29Å; L36-Y74 HydrophobicContact CD1-CE2 3.63Å; L36-Y74 HydrophobicContact CD2-CE2 3.71Å; L36-Y74 HydrophobicContact CG-CE2 4.38Å
37L83.7Confident80.2Confident3 Ų357.3 Ų57.32%0.01630%0.302CS..Hα-helixtrans-62.1-38.6-179.4-66.5-179.6000111.8L33 K34 E35 L41 G42 L45 V54 I57 L77L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CD2-CD1 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.04Å; L33-L37 HydrophobicContact CG-CG 4.19Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.93Å; K34-L37 PolarHBondContact O-N 3.45Å; E35-L37 PolarHBondContact O-N 3.46Å; L37-L41 HydrophobicContact CD2-CD1 3.6Å; L37-L41 CarbonylContact O-C 3.56Å; L37-L41 VanDerWaalsContact O-CA 3.3Å; L37-L41 WeakPolarHBondContact O-CA 3.22Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.94Å; L37-L41 VanDerWaalsContact O-N 3.14Å; L37-G42 PolarHBondContact O-N 3.31Å; L37-L45 HydrophobicContact CB-CD1 4.02Å; L37-L45 HydrophobicContact CD2-CD1 4.1Å; L37-L45 HydrophobicContact CG-CD1 4.46Å; L37-V54 HydrophobicContact CD1-CG1 4.36Å; L37-I57 HydrophobicContact CD1-CD1 4.38Å; L37-I57 HydrophobicContact CD1-CG2 3.97Å; L37-L77 HydrophobicContact CD2-CD2 3.58Å
38Q81.9Confident78.5Confident89 Ų8957.7 Ų57.742%0.41631%0.308SS..Hα-helixtrans-72-40.1177.9-75-172.5-43.500112.5K34 E35 L36 G42K34-Q38 WeakPolarHBondContact O-CB 3.43Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.45Å; E35-Q38 PolarHBondContact O-N 3.39Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.34Å; Q38-G42 WeakPolarHBondContact O-CA 3.46Å; Q38-G42 PolarHBondContact O-N 3.29Å
39A85.1Confident77Confident66 Ų6659.8 Ų59.855%0.54532%0.322SS..Hα-helixtrans-80.5-43.6-174.900000113.2Y18 E35 L36Y18-A39 HydrophobicContact CE1-CB 4.2Å; Y18-A39 WeakPolarHBondContact OH-CB 3.29Å; E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.38Å; L36-A39 PolarHBondContact O-N 3.49Å
40E83.9Confident76Confident83 Ų8363.6 Ų63.639%0.38834%0.341SS..Hα-helixtrans-97-30.2-174-53.9-69.4154.400112.1K17 Y18 L36K17-E40 IonicContact NZ-OE1 2.59Å; K17-E40 PolarHBondContact NZ-OE1 2.92Å; Y18-E40 HydrophobicContact CE2-CG 3.66Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.41Å; Y18-E40 PolarHBondContact OH-OE1 2.83Å; L36-E40 HydrophobicContact CD2-CB 4.47Å; L36-E40 HydrophobicContact CD2-CG 4.49Å; L36-E40 HydrophobicContact CG-CG 4.36Å; L36-E40 WeakPolarHBondContact O-CB 3.44Å; L36-E40 PolarHBondContact O-N 3.04Å
41L77.4Confident75.3Confident26 Ų2666.9 Ų66.914%0.13636%0.355CS..SBendtrans-119.46.9-173.2-67.9163.9000113L36 L37 E43 M44 L45 L81L36-L41 HydrophobicContact CD2-CD1 4.47Å; L37-L41 HydrophobicContact CD2-CD1 3.6Å; L37-L41 CarbonylContact O-C 3.56Å; L37-L41 VanDerWaalsContact O-CA 3.3Å; L37-L41 WeakPolarHBondContact O-CA 3.22Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.94Å; L37-L41 VanDerWaalsContact O-N 3.14Å; L41-E43 PolarHBondContact O-N 3.26Å; L41-M44 HydrophobicContact CD2-CE 3.81Å; L41-M44 HydrophobicContact CD2-SD 4.2Å; L41-M44 PolarHBondContact O-N 2.93Å; L41-M44 VanDerWaalsContact O-N 3.09Å; L41-L45 HydrophobicContact CB-CD1 3.68Å; L41-L45 HydrophobicContact CB-CG 4.12Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.64Å; L41-L81 HydrophobicContact CD1-CD1 3.78Å; L41-L81 HydrophobicContact CD2-CD1 4.14Å
42G73.6Confident74.9Confident20 Ų2066.9 Ų66.921%0.20636%0.359CS..Hα-helixtrans-59.9-41.9-173.600000113.7L37 Q38 G46L37-G42 PolarHBondContact O-N 3.31Å; Q38-G42 WeakPolarHBondContact O-CA 3.46Å; Q38-G42 PolarHBondContact O-N 3.29Å; G42-G46 PolarHBondContact O-N 3.4Å
43E71.4Confident74.3Confident200 Ų20067.9 Ų67.994%0.93537%0.368SS*.Hα-helixtrans-67.5-35.9175.6-78.3-170.198.800112.5L41L41-E43 PolarHBondContact O-N 3.26Å
44M67.8Low74Confident91 Ų9168.1 Ų68.145%0.44837%0.369SS..Hα-helixtrans-77.3-36.7-178.3-160.9174.994.700112.3L41 L81L41-M44 HydrophobicContact CD2-CE 3.81Å; L41-M44 HydrophobicContact CD2-SD 4.2Å; L41-M44 PolarHBondContact O-N 2.93Å; L41-M44 VanDerWaalsContact O-N 3.09Å; M44-L81 HydrophobicContact CE-CB 3.55Å; M44-L81 HydrophobicContact CE-CD1 3.71Å; M44-L81 HydrophobicContact CE-CD2 3.67Å; M44-L81 HydrophobicContact CE-CG 3.83Å
45L66.4Low73.9Confident30 Ų3067 Ų6716%0.15737%0.366CS..Hα-helixtrans-82.6-21.9178.6-71.7171.1000112L37 L41 K47 A48 I57 L81L37-L45 HydrophobicContact CB-CD1 4.02Å; L37-L45 HydrophobicContact CD2-CD1 4.1Å; L37-L45 HydrophobicContact CG-CD1 4.46Å; L41-L45 HydrophobicContact CB-CD1 3.68Å; L41-L45 HydrophobicContact CB-CG 4.12Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.64Å; L45-K47 PolarHBondContact O-N 3.37Å; L45-A48 HydrophobicContact CB-CB 4.1Å; L45-A48 HydrophobicContact CD2-CB 4.28Å; L45-A48 WeakPolarHBondContact O-CA 3.36Å; L45-A48 WeakPolarHBondContact O-CB 3.41Å; L45-A48 PolarHBondContact O-N 3.24Å; L45-I57 HydrophobicContact CD2-CD1 4.31Å; L45-L81 HydrophobicContact CD2-CD2 4.32Å
46G66.9Low73.7Confident39 Ų3971.9 Ų71.940%0.40238%0.381SS..G310 helixtrans51.5-122.6179.800000112.2G42 A48 S49G42-G46 PolarHBondContact O-N 3.4Å; G46-A48 PolarHBondContact O-N 2.75Å; G46-S49 PolarHBondContact O-N 3.19Å; G46-S49 PolarHBondContact O-OG 3.31Å
47K53.8Low73.4Confident188 Ų18873.3 Ų73.382%0.81739%0.389SS*.G310 helixtrans-65.3-11.4176.5-66.4-172.5179.9-179.30114.2L45 S49 D50L45-K47 PolarHBondContact O-N 3.37Å; K47-S49 PolarHBondContact O-N 3.26Å; K47-S49 VanDerWaalsContact O-N 3.16Å; K47-D50 WeakPolarHBondContact O-CB 3.45Å; K47-D50 PolarHBondContact O-N 2.78Å; K47-D50 VanDerWaalsContact O-N 3.12Å
48A53.3Low73.4Confident32 Ų3273.6 Ų73.626%0.26439%0.39SS..G310 helixtrans-732.6174.100000113.6L45 G46 D50 A53L45-A48 HydrophobicContact CB-CB 4.1Å; L45-A48 HydrophobicContact CD2-CB 4.28Å; L45-A48 WeakPolarHBondContact O-CA 3.36Å; L45-A48 WeakPolarHBondContact O-CB 3.41Å; L45-A48 PolarHBondContact O-N 3.24Å; G46-A48 PolarHBondContact O-N 2.75Å; A48-D50 PolarHBondContact O-N 2.91Å; A48-A53 HydrophobicContact CB-CB 4.02Å; A48-A53 WeakPolarHBondContact O-CB 3.46Å
49S57.2Low73.5Confident44 Ų4476.6 Ų76.631%0.30840%0.401SS..G310 helixtrans-73.2-5162.9530000113.6G46 K47G46-S49 PolarHBondContact O-N 3.19Å; G46-S49 PolarHBondContact O-OG 3.31Å; K47-S49 PolarHBondContact O-N 3.26Å; K47-S49 VanDerWaalsContact O-N 3.16Å
50D66.7Low73.5Confident104 Ų10479.6 Ų79.656%0.55641%0.408SS*.SBendtrans-56.4140170.4-98.6-49.3000111.2K47 A48 S52 A53 V54K47-D50 WeakPolarHBondContact O-CB 3.45Å; K47-D50 PolarHBondContact O-N 2.78Å; K47-D50 VanDerWaalsContact O-N 3.12Å; A48-D50 PolarHBondContact O-N 2.91Å; D50-S52 PolarHBondContact O-N 2.81Å; D50-A53 PolarHBondContact O-N 3.09Å; D50-V54 PolarHBondContact O-N 3.18Å
51K70.2Confident73.5Confident151 Ų15176.2 Ų76.266%0.65739%0.393SS*.Hα-helixtrans-50.6-38-176.7-150.6178.3-174.4-178.70111.7D55K51-D55 WeakPolarHBondContact O-CB 3.44Å; K51-D55 PolarHBondContact O-N 3.36Å
52S76.7Confident73.9Confident83 Ų8375.6 Ų75.658%0.5839%0.39SS*.Hα-helixtrans-68.7-34.8178.3-50.60000114.3D50 R56D50-S52 PolarHBondContact O-N 2.81Å; S52-R56 WeakPolarHBondContact O-CG 3.31Å; S52-R56 PolarHBondContact O-N 2.95Å; S52-R56 VanDerWaalsContact O-N 3.15Å
53A77.8Confident74.2Confident24 Ų2479.1 Ų79.120%0.19841%0.412CS..Hα-helixtrans-77.4-41.3178.800000110.6A48 D50 D55 R56 I57A48-A53 HydrophobicContact CB-CB 4.02Å; A48-A53 WeakPolarHBondContact O-CB 3.46Å; D50-A53 PolarHBondContact O-N 3.09Å; A53-D55 VanDerWaalsContact C-N 3.29Å; A53-D55 PolarHBondContact O-N 2.8Å; A53-R56 PolarHBondContact O-N 3.29Å; A53-R56 VanDerWaalsContact O-N 3.16Å; A53-I57 VanDerWaalsContact O-CG1 3.32Å; A53-I57 WeakPolarHBondContact O-CG1 3.15Å; A53-I57 PolarHBondContact O-N 3.16Å
54V79.5Confident74.8Confident5 Ų573.2 Ų73.23%0.0339%0.386CS..Hα-helixtrans-59.9-41.1170.2176.90000111.1K34 L37 D50 R56 I57 F58K34-V54 HydrophobicContact CB-CG1 3.82Å; K34-V54 HydrophobicContact CG-CG1 3.99Å; K34-V54 HydrophobicContact CG-CG2 4.35Å; L37-V54 HydrophobicContact CD1-CG1 4.36Å; D50-V54 PolarHBondContact O-N 3.18Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 3.12Å; V54-I57 PolarHBondContact O-N 3.44Å; V54-F58 VanDerWaalsContact O-CB 3.23Å; V54-F58 WeakPolarHBondContact O-CB 3.36Å; V54-F58 PolarHBondContact O-N 2.95Å
55D83Confident75.5Confident48 Ų4877 Ų7726%0.25740%0.4SS..Hα-helixtrans-60.5-38.9174.8-112-71.5000113K30 K51 A53 K59K30-D55 VanDerWaalsContact CE-CG 3.48Å; K30-D55 WeakPolarHBondContact CE-OD1 3.4Å; K30-D55 WeakPolarHBondContact CE-OD2 3.35Å; K30-D55 IonicContact NZ-OD1 2.94Å; K30-D55 PolarHBondContact NZ-OD1 3.42Å; K30-D55 IonicContact NZ-OD2 3.06Å; K30-D55 PolarHBondContact NZ-OD2 3.39Å; K51-D55 WeakPolarHBondContact O-CB 3.44Å; K51-D55 PolarHBondContact O-N 3.36Å; A53-D55 VanDerWaalsContact C-N 3.29Å; A53-D55 PolarHBondContact O-N 2.8Å; D55-K59 WeakPolarHBondContact O-CB 3.33Å; D55-K59 WeakPolarHBondContact O-CG 3.23Å; D55-K59 PolarHBondContact O-N 3.06Å; D55-K59 VanDerWaalsContact O-N 3.09Å
56R82.3Confident76.4Confident183 Ų18379.1 Ų79.169%0.69141%0.412SS*.Hα-helixtrans-68.8-50.2175.4-74.3174.2-177.4175.90.6111.2S52 A53 V54 F58 K59 D60S52-R56 WeakPolarHBondContact O-CG 3.31Å; S52-R56 PolarHBondContact O-N 2.95Å; S52-R56 VanDerWaalsContact O-N 3.15Å; A53-R56 PolarHBondContact O-N 3.29Å; A53-R56 VanDerWaalsContact O-N 3.16Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 3.12Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 PolarHBondContact O-N 2.81Å; R56-K59 CarbonylContact O-C 3.56Å; R56-K59 PolarHBondContact O-N 2.86Å; R56-D60 PolarHBondContact O-N 3.01Å
57I82.8Confident77.3Confident31 Ų3182.8 Ų82.816%0.15942%0.422CS..Hα-helixtrans-56.5-45.8177.4-67.6165.8000110.3L37 L45 A53 V54 K59 D60 L61 L77L37-I57 HydrophobicContact CD1-CD1 4.38Å; L37-I57 HydrophobicContact CD1-CG2 3.97Å; L45-I57 HydrophobicContact CD2-CD1 4.31Å; A53-I57 VanDerWaalsContact O-CG1 3.32Å; A53-I57 WeakPolarHBondContact O-CG1 3.15Å; A53-I57 PolarHBondContact O-N 3.16Å; V54-I57 PolarHBondContact O-N 3.44Å; I57-K59 PolarHBondContact O-N 3.43Å; I57-D60 PolarHBondContact O-N 3.37Å; I57-L61 HydrophobicContact CG2-CD1 3.58Å; I57-L61 HydrophobicContact CG2-CG 4.33Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CD1 3.33Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 3.15Å; I57-L77 HydrophobicContact CG2-CD1 3.82Å; I57-L77 HydrophobicContact CG2-CD2 4.21Å
58F84.7Confident78.9Confident8 Ų875.6 Ų75.64%0.03539%0.394CS..Hα-helixtrans-57.9-47.5176-175.5-86.1000111.4K30 L33 V54 R56 D60 L61 D62 N67 V69K30-F58 HydrophobicContact CB-CD2 3.83Å; K30-F58 HydrophobicContact CB-CE1 4.45Å; K30-F58 HydrophobicContact CB-CE2 3.6Å; K30-F58 HydrophobicContact CB-CG 4.37Å; K30-F58 HydrophobicContact CB-CZ 3.95Å; K30-F58 HydrophobicContact CD-CD1 4.44Å; K30-F58 HydrophobicContact CD-CG 4.47Å; K30-F58 HydrophobicContact CG-CD1 4.38Å; K30-F58 HydrophobicContact CG-CD2 3.83Å; K30-F58 HydrophobicContact CG-CE2 4.12Å; K30-F58 HydrophobicContact CG-CG 3.99Å; L33-F58 HydrophobicContact CB-CD2 4.41Å; L33-F58 HydrophobicContact CD2-CB 4.07Å; L33-F58 HydrophobicContact CD2-CD2 3.59Å; L33-F58 HydrophobicContact CD2-CG 4.31Å; V54-F58 VanDerWaalsContact O-CB 3.23Å; V54-F58 WeakPolarHBondContact O-CB 3.36Å; V54-F58 PolarHBondContact O-N 2.95Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 PolarHBondContact O-N 2.81Å; F58-D60 PolarHBondContact O-N 3.35Å; F58-L61 PolarHBondContact O-N 3.09Å; F58-D62 HydrophobicContact CD1-CB 4.28Å; F58-D62 HydrophobicContact CE1-CB 3.94Å; F58-D62 HydrophobicContact CZ-CB 4.42Å; F58-D62 VanDerWaalsContact O-CB 3.22Å; F58-D62 WeakPolarHBondContact O-CB 3.47Å; F58-D62 PolarHBondContact O-N 3.4Å; F58-N67 WeakPolarHBondContact CZ-O 3.34Å; F58-V69 HydrophobicContact CD2-CG2 4.02Å; F58-V69 HydrophobicContact CE2-CG2 3.77Å; F58-V69 HydrophobicContact CZ-CG2 4.42Å
59K83.9Confident80.6Confident152 Ų15274 Ų7466%0.66138%0.381SS*.Hα-helixtrans-66.5-34178.2-78.8-179.1177.6-175.80114.1D55 R56 I57 L61D55-K59 WeakPolarHBondContact O-CB 3.33Å; D55-K59 WeakPolarHBondContact O-CG 3.23Å; D55-K59 PolarHBondContact O-N 3.06Å; D55-K59 VanDerWaalsContact O-N 3.09Å; R56-K59 CarbonylContact O-C 3.56Å; R56-K59 PolarHBondContact O-N 2.86Å; I57-K59 PolarHBondContact O-N 3.43Å; K59-L61 VanDerWaalsContact C-N 3.28Å
60D83.6Confident82.2Confident129 Ų12974.3 Ų74.369%0.6938%0.379SS*.Hα-helixtrans-70-30175-80.8-57.8000111.1R56 I57 F58R56-D60 PolarHBondContact O-N 3.01Å; I57-D60 PolarHBondContact O-N 3.37Å; F58-D60 PolarHBondContact O-N 3.35Å
61L83.8Confident83.2Confident12 Ų1273 Ų736%0.06337%0.369CS..Hα-helixtrans-83.4-43.2178.7-68.6167000113.6L33 I57 F58 K59 S63 V69 E73 L77L33-L61 HydrophobicContact CD1-CD1 4.44Å; L33-L61 HydrophobicContact CD2-CD1 3.96Å; I57-L61 HydrophobicContact CG2-CD1 3.58Å; I57-L61 HydrophobicContact CG2-CG 4.33Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CD1 3.33Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 3.15Å; F58-L61 PolarHBondContact O-N 3.09Å; K59-L61 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.13Å; L61-V69 HydrophobicContact CB-CG1 4.48Å; L61-V69 HydrophobicContact CB-CG2 4.07Å; L61-E73 VanDerWaalsContact CD2-O 3.31Å; L61-E73 WeakPolarHBondContact CD2-O 3.22Å; L61-E73 VanDerWaalsContact O-CG 3.28Å; L61-E73 WeakPolarHBondContact O-CG 3.5Å; L61-E73 VanDerWaalsContact O-OE1 3.06Å; L61-L77 HydrophobicContact CD1-CB 4.09Å; L61-L77 HydrophobicContact CD1-CD1 4.02Å; L61-L77 HydrophobicContact CD1-CD2 3.85Å; L61-L77 HydrophobicContact CD1-CG 4.17Å; L61-L77 HydrophobicContact CD2-CB 3.53Å; L61-L77 HydrophobicContact CD2-CD1 4.05Å; L61-L77 HydrophobicContact CD2-CG 4.27Å; L61-L77 HydrophobicContact CG-CB 4.4Å; L61-L77 HydrophobicContact CG-CD1 4.32Å
62D85.9Confident84.1Confident13 Ų1373.5 Ų73.57%0.0737%0.371CS..  trans-70.364.3176.8-179.122000110.3F58 N64 K65 D66 N67F58-D62 HydrophobicContact CD1-CB 4.28Å; F58-D62 HydrophobicContact CE1-CB 3.94Å; F58-D62 HydrophobicContact CZ-CB 4.42Å; F58-D62 VanDerWaalsContact O-CB 3.22Å; F58-D62 WeakPolarHBondContact O-CB 3.47Å; F58-D62 PolarHBondContact O-N 3.4Å; D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact OD1-OD1 3.31Å; D62-K65 PolarHBondContact O-N 3.14Å; D62-K65 VanDerWaalsContact OD1-C 3.27Å; D62-K65 WeakPolarHBondContact OD1-CA 3.31Å; D62-K65 PolarHBondContact OD1-N 3.45Å; D62-D66 PolarHBondContact OD1-N 3.07Å; D62-N67 PolarHBondContact OD1-N 2.95Å; D62-N67 WeakPolarHBondContact OD2-CA 3.16Å; D62-N67 PolarHBondContact OD2-N 2.81Å
63S79.9Confident84.7Confident95 Ų9570.4 Ų70.466%0.66435%0.347SS*.SBendtrans-70.7-31.3-176.4-74.50000111.2L61 K65 E73L61-S63 PolarHBondContact O-N 3.13Å; S63-K65 VanDerWaalsContact C-N 3.31Å; S63-E73 PolarHBondContact N-OE1 3.16Å
64N84Confident85.2Confident76 Ų7669.7 Ų69.741%0.40634%0.34SS..SBendtrans-80.9-11.2176.467.114.7000112.8D62 D66D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact OD1-OD1 3.31Å; N64-D66 VanDerWaalsContact CG-CG 3.48Å; N64-D66 PolarHBondContact ND2-OD2 2.82Å; N64-D66 PolarHBondContact O-N 3.44Å; N64-D66 WeakPolarHBondContact OD1-CB 3.41Å; N64-D66 PolarHBondContact OD1-N 3.2Å; N64-D66 PolarHBondContact OD1-OD1 3.48Å; N64-D66 PolarHBondContact OD1-OD2 3.39Å
65K83.4Confident85.6Confident169 Ų16971.8 Ų71.874%0.73535%0.352SS*.  trans59.931.3-179.9-56.4-178.6-176.8175.90113.1D62 S63D62-K65 PolarHBondContact O-N 3.14Å; D62-K65 VanDerWaalsContact OD1-C 3.27Å; D62-K65 WeakPolarHBondContact OD1-CA 3.31Å; D62-K65 PolarHBondContact OD1-N 3.45Å; S63-K65 VanDerWaalsContact C-N 3.31Å
66D85.4Confident85.8Confident76 Ų7673.5 Ų73.541%0.40636%0.364SS..SBendtrans-83.4-0175.973.617.9000112.8D62 N64 T68D62-D66 PolarHBondContact OD1-N 3.07Å; N64-D66 VanDerWaalsContact CG-CG 3.48Å; N64-D66 PolarHBondContact ND2-OD2 2.82Å; N64-D66 PolarHBondContact O-N 3.44Å; N64-D66 WeakPolarHBondContact OD1-CB 3.41Å; N64-D66 PolarHBondContact OD1-N 3.2Å; N64-D66 PolarHBondContact OD1-OD1 3.48Å; N64-D66 PolarHBondContact OD1-OD2 3.39Å; D66-T68 PolarHBondContact O-N 2.79Å; D66-T68 VanDerWaalsContact OD1-CA 3.29Å; D66-T68 WeakPolarHBondContact OD1-CA 3.41Å; D66-T68 WeakPolarHBondContact OD1-CB 3.22Å; D66-T68 PolarHBondContact OD1-N 3Å; D66-T68 PolarHBondContact OD1-OG1 2.77Å; D66-T68 PolarHBondContact OD2-OG1 3.3Å
67N84.6Confident85.9Confident116 Ų11665.7 Ų65.762%0.6234%0.336SS*.SBendtrans61.524-176.5-61.3-94.6000113.3F58 D62F58-N67 WeakPolarHBondContact CZ-O 3.34Å; D62-N67 PolarHBondContact OD1-N 2.95Å; D62-N67 WeakPolarHBondContact OD2-CA 3.16Å; D62-N67 PolarHBondContact OD2-N 2.81Å
68T88.1Confident86Confident36 Ų3665.5 Ų65.522%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-134165.8169.366.50000109.6L28 D66L28-T68 CarbonylContact O-C 3.1Å; L28-T68 WeakPolarHBondContact O-CA 3.36Å; D66-T68 PolarHBondContact O-N 2.79Å; D66-T68 VanDerWaalsContact OD1-CA 3.29Å; D66-T68 WeakPolarHBondContact OD1-CA 3.41Å; D66-T68 WeakPolarHBondContact OD1-CB 3.22Å; D66-T68 PolarHBondContact OD1-N 3Å; D66-T68 PolarHBondContact OD1-OG1 2.77Å; D66-T68 PolarHBondContact OD2-OG1 3.3Å
69V89.4Confident86.1Confident0 Ų068 Ų680%036%0.355CS..EExtended strand (participates in β ladder)trans-119.3114.3175.9172.80000108.2T27 L28 L33 F58 L61 E73T27-V69 CarbonylContact C-O 3.6Å; T27-V69 WeakPolarHBondContact CA-O 3.31Å; L28-V69 HydrophobicContact CB-CB 4.24Å; L28-V69 PolarHBondContact N-O 3.33Å; L28-V69 PolarHBondContact O-N 2.88Å; L33-V69 HydrophobicContact CD2-CG2 4.18Å; F58-V69 HydrophobicContact CD2-CG2 4.02Å; F58-V69 HydrophobicContact CE2-CG2 3.77Å; F58-V69 HydrophobicContact CZ-CG2 4.42Å; L61-V69 HydrophobicContact CB-CG1 4.48Å; L61-V69 HydrophobicContact CB-CG2 4.07Å; V69-E73 WeakPolarHBondContact CA-OE2 3.22Å; V69-E73 HydrophobicContact CG1-CB 3.77Å
70D90Very high86.1Confident49 Ų4963.8 Ų63.826%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-78.2171.7176.675.733000112T27 K72 E73 Y74T27-D70 HydrophobicContact CG2-CB 4.35Å; D70-K72 PolarHBondContact O-N 2.97Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 3.28Å; D70-K72 WeakPolarHBondContact OD1-CB 3.29Å; D70-K72 PolarHBondContact OD1-N 2.89Å; D70-E73 PolarHBondContact N-OE2 2.77Å; D70-E73 PolarHBondContact O-N 3.27Å; D70-E73 PolarHBondContact OD1-N 2.85Å; D70-Y74 WeakPolarHBondContact O-CB 3.16Å; D70-Y74 PolarHBondContact O-N 3Å
71F89.1Confident85.9Confident77 Ų7758.8 Ų58.834%0.33832%0.317SS..Hα-helixtrans-59.6-33.6-180-176.4-105.1000113I12 F15 Y74 V75I12-F71 HydrophobicContact CG1-CE2 3.95Å; I12-F71 HydrophobicContact CG1-CZ 3.59Å; F15-F71 HydrophobicContact CB-CD2 4.04Å; F15-F71 HydrophobicContact CB-CE2 4.14Å; F15-F71 AromaticContact CD1-CD2 3.76Å; F15-F71 HydrophobicContact CD1-CD2 3.76Å; F15-F71 HydrophobicContact CD2-CD2 4.05Å; F15-F71 HydrophobicContact CE1-CB 4.12Å; F15-F71 HydrophobicContact CE1-CD2 4.2Å; F15-F71 HydrophobicContact CE2-CB 4.42Å; F15-F71 HydrophobicContact CE2-CD2 4.44Å; F15-F71 AromaticContact CG-CD2 3.68Å; F15-F71 HydrophobicContact CG-CD2 3.68Å; F15-F71 HydrophobicContact CG-CE2 4.29Å; F15-F71 HydrophobicContact CZ-CB 4.06Å; F71-Y74 HydrophobicContact CD2-CD1 4.33Å; F71-Y74 HydrophobicContact CE2-CD1 4.31Å; F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.47Å; F71-V75 HydrophobicContact CE1-CG2 3.59Å; F71-V75 HydrophobicContact CE2-CG2 4.04Å; F71-V75 HydrophobicContact CG-CG2 4.48Å; F71-V75 HydrophobicContact CZ-CG2 3.57Å; F71-V75 VanDerWaalsContact O-CG2 3.22Å; F71-V75 WeakPolarHBondContact O-CG2 3.32Å; F71-V75 PolarHBondContact O-N 2.83Å
72K88.5Confident86Confident161 Ų16162.3 Ų62.370%0.734%0.339SS*.Hα-helixtrans-71.6-43.1-179.8178.6-171.9174.6-169.90110.7D70 Y74 V75 T76D70-K72 PolarHBondContact O-N 2.97Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 3.28Å; D70-K72 WeakPolarHBondContact OD1-CB 3.29Å; D70-K72 PolarHBondContact OD1-N 2.89Å; K72-Y74 VanDerWaalsContact C-N 3.34Å; K72-V75 PolarHBondContact O-N 3.47Å; K72-T76 PolarHBondContact O-N 3.4Å; K72-T76 PolarHBondContact O-OG1 2.98Å
73E89.3Confident85.9Confident18 Ų1865.6 Ų65.68%0.08436%0.36CS..Hα-helixtrans-61.8-44.7174.1-69.1171148.900110.2L61 S63 V69 D70 V75 T76 L77L61-E73 VanDerWaalsContact CD2-O 3.31Å; L61-E73 WeakPolarHBondContact CD2-O 3.22Å; L61-E73 VanDerWaalsContact O-CG 3.28Å; L61-E73 WeakPolarHBondContact O-CG 3.5Å; L61-E73 VanDerWaalsContact O-OE1 3.06Å; S63-E73 PolarHBondContact N-OE1 3.16Å; V69-E73 WeakPolarHBondContact CA-OE2 3.22Å; V69-E73 HydrophobicContact CG1-CB 3.77Å; D70-E73 PolarHBondContact N-OE2 2.77Å; D70-E73 PolarHBondContact O-N 3.27Å; D70-E73 PolarHBondContact OD1-N 2.85Å; E73-V75 PolarHBondContact O-N 3.19Å; E73-T76 WeakPolarHBondContact O-CB 3.04Å; E73-T76 PolarHBondContact O-N 3.29Å; E73-T76 VanDerWaalsContact O-N 3.14Å; E73-L77 PolarHBondContact O-N 2.88Å
74Y87.7Confident85.8Confident10 Ų1066.8 Ų66.84%0.03936%0.356CS..Hα-helixtrans-57-48.9173.3172.7-107.6000113.5L11 F15 L28 L36 D70 F71 K72 T76 L77 V78L11-Y74 HydrophobicContact CD2-CD1 4.4Å; L11-Y74 HydrophobicContact CD2-CE1 3.48Å; L11-Y74 VanDerWaalsContact CD2-CE1 3.48Å; F15-Y74 HydrophobicContact CB-CD1 4.01Å; F15-Y74 HydrophobicContact CB-CE1 3.89Å; F15-Y74 AromaticContact CD2-CD1 3.55Å; F15-Y74 HydrophobicContact CD2-CD1 3.55Å; F15-Y74 HydrophobicContact CD2-CD2 4.16Å; F15-Y74 HydrophobicContact CD2-CE1 4.19Å; F15-Y74 AromaticContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CE2-CD1 4.43Å; F15-Y74 HydrophobicContact CE2-CG 4.1Å; F15-Y74 HydrophobicContact CG-CD1 4.16Å; L28-Y74 HydrophobicContact CD1-CD2 4.3Å; L36-Y74 HydrophobicContact CD1-CD2 4.29Å; L36-Y74 HydrophobicContact CD1-CE2 3.63Å; L36-Y74 HydrophobicContact CD2-CE2 3.71Å; L36-Y74 HydrophobicContact CG-CE2 4.38Å; D70-Y74 WeakPolarHBondContact O-CB 3.16Å; D70-Y74 PolarHBondContact O-N 3Å; F71-Y74 HydrophobicContact CD2-CD1 4.33Å; F71-Y74 HydrophobicContact CE2-CD1 4.31Å; K72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-T76 PolarHBondContact O-N 3.43Å; Y74-L77 VanDerWaalsContact O-CB 3.29Å; Y74-L77 WeakPolarHBondContact O-CB 3.27Å; Y74-L77 PolarHBondContact O-N 3.15Å; Y74-L77 VanDerWaalsContact O-N 3.13Å; Y74-V78 HydrophobicContact CE1-CG2 4.29Å; Y74-V78 HydrophobicContact CE2-CG2 4.01Å; Y74-V78 PolarHBondContact O-N 2.67Å; Y74-V78 VanDerWaalsContact O-N 3.15Å
75V89.2Confident85.4Confident49 Ų4965.1 Ų65.130%0.29735%0.35SS..Hα-helixtrans-62.9-33.3178.1171.50000111.3F71 K72 E73 V78 S79F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.47Å; F71-V75 HydrophobicContact CE1-CG2 3.59Å; F71-V75 HydrophobicContact CE2-CG2 4.04Å; F71-V75 HydrophobicContact CG-CG2 4.48Å; F71-V75 HydrophobicContact CZ-CG2 3.57Å; F71-V75 VanDerWaalsContact O-CG2 3.22Å; F71-V75 WeakPolarHBondContact O-CG2 3.32Å; F71-V75 PolarHBondContact O-N 2.83Å; K72-V75 PolarHBondContact O-N 3.47Å; E73-V75 PolarHBondContact O-N 3.19Å; V75-V78 PolarHBondContact O-N 3.22Å; V75-S79 WeakPolarHBondContact O-CB 3.41Å; V75-S79 PolarHBondContact O-N 3.49Å; V75-S79 PolarHBondContact O-OG 3.48Å
76T87.4Confident85.2Confident83 Ų8361 Ų6151%0.50934%0.336SS..Hα-helixtrans-63.7-41.3175.5-56.50000111.1K72 E73 Y74 S79 C80K72-T76 PolarHBondContact O-N 3.4Å; K72-T76 PolarHBondContact O-OG1 2.98Å; E73-T76 WeakPolarHBondContact O-CB 3.04Å; E73-T76 PolarHBondContact O-N 3.29Å; E73-T76 VanDerWaalsContact O-N 3.14Å; Y74-T76 PolarHBondContact O-N 3.43Å; T76-S79 PolarHBondContact O-N 3.49Å; T76-C80 WeakPolarHBondContact O-CB 3.37Å; T76-C80 PolarHBondContact O-N 2.83Å
77L83.6Confident84.6Confident19 Ų1961.3 Ų61.310%0.09934%0.338CS..Hα-helixtrans-57.2-54172.3-17364.2000111.5L37 I57 L61 E73 Y74 S79 C80 L81L37-L77 HydrophobicContact CD2-CD2 3.58Å; I57-L77 HydrophobicContact CG2-CD1 3.82Å; I57-L77 HydrophobicContact CG2-CD2 4.21Å; L61-L77 HydrophobicContact CD1-CB 4.09Å; L61-L77 HydrophobicContact CD1-CD1 4.02Å; L61-L77 HydrophobicContact CD1-CD2 3.85Å; L61-L77 HydrophobicContact CD1-CG 4.17Å; L61-L77 HydrophobicContact CD2-CB 3.53Å; L61-L77 HydrophobicContact CD2-CD1 4.05Å; L61-L77 HydrophobicContact CD2-CG 4.27Å; L61-L77 HydrophobicContact CG-CB 4.4Å; L61-L77 HydrophobicContact CG-CD1 4.32Å; E73-L77 PolarHBondContact O-N 2.88Å; Y74-L77 VanDerWaalsContact O-CB 3.29Å; Y74-L77 WeakPolarHBondContact O-CB 3.27Å; Y74-L77 PolarHBondContact O-N 3.15Å; Y74-L77 VanDerWaalsContact O-N 3.13Å; L77-S79 PolarHBondContact O-N 2.86Å; L77-C80 WeakPolarHBondContact O-CB 3.48Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.11Å; L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CG 4.42Å; L77-L81 HydrophobicContact CD2-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.91Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.11Å
78V85.1Confident83.6Confident27 Ų2762.8 Ų62.816%0.16434%0.339CS..Hα-helixtrans-64.8-35.4-174.2-178.40000110.3L11 Y74 V75 L81 T82L11-V78 HydrophobicContact CD1-CG1 4.44Å; L11-V78 HydrophobicContact CD2-CB 3.98Å; L11-V78 HydrophobicContact CD2-CG1 3.93Å; L11-V78 HydrophobicContact CD2-CG2 3.72Å; Y74-V78 HydrophobicContact CE1-CG2 4.29Å; Y74-V78 HydrophobicContact CE2-CG2 4.01Å; Y74-V78 PolarHBondContact O-N 2.67Å; Y74-V78 VanDerWaalsContact O-N 3.15Å; V75-V78 PolarHBondContact O-N 3.22Å; V78-L81 PolarHBondContact O-N 3.27Å; V78-T82 VanDerWaalsContact O-CB 3.27Å; V78-T82 WeakPolarHBondContact O-CB 3.3Å; V78-T82 PolarHBondContact O-N 3.33Å; V78-T82 PolarHBondContact O-OG1 2.95Å
79S86.8Confident82.1Confident60 Ų6068.4 Ų68.442%0.4236%0.361SS..Hα-helixtrans-62.8-47.2173-57.50000111.4V75 T76 L77 L81 T82 V83V75-S79 WeakPolarHBondContact O-CB 3.41Å; V75-S79 PolarHBondContact O-N 3.49Å; V75-S79 PolarHBondContact O-OG 3.48Å; T76-S79 PolarHBondContact O-N 3.49Å; L77-S79 PolarHBondContact O-N 2.86Å; S79-L81 PolarHBondContact O-N 2.93Å; S79-T82 PolarHBondContact O-N 3.43Å; S79-V83 WeakPolarHBondContact O-CG2 3.35Å; S79-V83 PolarHBondContact O-N 3.28Å
80C83.2Confident80.6Confident65 Ų6573.8 Ų73.844%0.43939%0.388SS..Hα-helixtrans-60.3-46.1177.4-170.90000111.7T76 L77 T82 V83 M84T76-C80 WeakPolarHBondContact O-CB 3.37Å; T76-C80 PolarHBondContact O-N 2.83Å; L77-C80 WeakPolarHBondContact O-CB 3.48Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.11Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.35Å; C80-V83 PolarHBondContact O-N 2.86Å; C80-M84 WeakPolarHBondContact O-CG 3.33Å; C80-M84 PolarHBondContact O-N 3.21Å
81L79.9Confident78.4Confident23 Ų2380.4 Ų80.412%0.1241%0.414CS..Hα-helixtrans-62-41.3175.4-73.5176.4000112.1L41 M44 L45 L77 V78 S79 V83 M84 C85L41-L81 HydrophobicContact CD1-CD1 3.78Å; L41-L81 HydrophobicContact CD2-CD1 4.14Å; M44-L81 HydrophobicContact CE-CB 3.55Å; M44-L81 HydrophobicContact CE-CD1 3.71Å; M44-L81 HydrophobicContact CE-CD2 3.67Å; M44-L81 HydrophobicContact CE-CG 3.83Å; L45-L81 HydrophobicContact CD2-CD2 4.32Å; L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CG 4.42Å; L77-L81 HydrophobicContact CD2-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.91Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.11Å; V78-L81 PolarHBondContact O-N 3.27Å; S79-L81 PolarHBondContact O-N 2.93Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 2.73Å; L81-M84 PolarHBondContact O-N 2.9Å; L81-C85 WeakPolarHBondContact O-CB 3.47Å; L81-C85 PolarHBondContact O-N 3.45Å; L81-C85 PolarHBondContact O-SG 2.82Å
82T85.1Confident76.2Confident86 Ų8687.3 Ų87.353%0.52845%0.445SS..Hα-helixtrans-62.9-42.2176.6-58.90000110.8V78 S79 C80 C85 N86V78-T82 VanDerWaalsContact O-CB 3.27Å; V78-T82 WeakPolarHBondContact O-CB 3.3Å; V78-T82 PolarHBondContact O-N 3.33Å; V78-T82 PolarHBondContact O-OG1 2.95Å; S79-T82 PolarHBondContact O-N 3.43Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.35Å; T82-C85 PolarHBondContact O-N 2.94Å; T82-N86 WeakPolarHBondContact O-CB 3.38Å; T82-N86 PolarHBondContact O-N 3.26Å
83V84.3Confident75.6Confident83 Ų8383.7 Ų83.750%0.50343%0.432SS..Hα-helixtrans-65-43.7174.7173.20000110.9S79 C80 L81 C85 N86 D87S79-V83 WeakPolarHBondContact O-CG2 3.35Å; S79-V83 PolarHBondContact O-N 3.28Å; C80-V83 PolarHBondContact O-N 2.86Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 2.73Å; V83-C85 PolarHBondContact O-N 3.46Å; V83-N86 WeakPolarHBondContact O-CB 3.41Å; V83-N86 PolarHBondContact O-N 2.9Å; V83-D87 PolarHBondContact O-N 3.49Å
84M77.3Confident74.9Confident120 Ų12087.1 Ų87.159%0.59145%0.45SS*.Hα-helixtrans-60.7-44.1175.7-76.2-174.7167.900112.1C80 L81 D87 F88C80-M84 WeakPolarHBondContact O-CG 3.33Å; C80-M84 PolarHBondContact O-N 3.21Å; L81-M84 PolarHBondContact O-N 2.9Å; M84-D87 PolarHBondContact O-N 3.47Å; M84-F88 WeakPolarHBondContact O-CB 3.39Å; M84-F88 PolarHBondContact O-N 2.82Å
85C76.4Confident74.2Confident41 Ų4191.4 Ų91.428%0.27747%0.473SS..Hα-helixtrans-63.3-44.1174.1-71.50000111L81 T82 V83 D87 F88 F89L81-C85 WeakPolarHBondContact O-CB 3.47Å; L81-C85 PolarHBondContact O-N 3.45Å; L81-C85 PolarHBondContact O-SG 2.82Å; T82-C85 PolarHBondContact O-N 2.94Å; V83-C85 PolarHBondContact O-N 3.46Å; C85-D87 PolarHBondContact O-N 2.82Å; C85-F88 WeakPolarHBondContact O-CB 3.47Å; C85-F88 PolarHBondContact O-N 3.21Å; C85-F89 WeakPolarHBondContact O-CB 3.21Å; C85-F89 VanDerWaalsContact O-CD2 3.3Å; C85-F89 WeakPolarHBondContact O-CD2 3.36Å; C85-F89 PolarHBondContact O-N 2.85Å
86N78.3Confident73.3Confident83 Ų8393.9 Ų93.944%0.44448%0.483SS..Hα-helixtrans-59.7-46176.6179.974.4000111.6T82 V83 F88 F89 I90T82-N86 WeakPolarHBondContact O-CB 3.38Å; T82-N86 PolarHBondContact O-N 3.26Å; V83-N86 WeakPolarHBondContact O-CB 3.41Å; V83-N86 PolarHBondContact O-N 2.9Å; N86-F88 VanDerWaalsContact C-N 3.33Å; N86-F88 PolarHBondContact O-N 3.45Å; N86-F89 PolarHBondContact O-N 2.96Å; N86-I90 WeakPolarHBondContact ND2-CD1 3.17Å; N86-I90 WeakPolarHBondContact O-CB 3.3Å; N86-I90 WeakPolarHBondContact O-CG1 3.43Å; N86-I90 PolarHBondContact O-N 3.49Å
87D73.2Confident72.4Confident82 Ų8294.6 Ų94.644%0.43948%0.482SS..Hα-helixtrans-63.1-38.1175.1-836.2000112.3V83 M84 C85 I90 K91V83-D87 PolarHBondContact O-N 3.49Å; M84-D87 PolarHBondContact O-N 3.47Å; C85-D87 PolarHBondContact O-N 2.82Å; D87-I90 PolarHBondContact O-N 2.8Å; D87-K91 VanDerWaalsContact O-CB 3.3Å; D87-K91 WeakPolarHBondContact O-CB 3.21Å; D87-K91 WeakPolarHBondContact O-CG 3.47Å; D87-K91 PolarHBondContact O-N 3.22Å
88F64.4Low71.7Confident146 Ų14699.6 Ų99.664%0.6451%0.507SS*.Hα-helixtrans-65.3-38.8175.1-174.1-93.4000112.1M84 C85 N86M84-F88 WeakPolarHBondContact O-CB 3.39Å; M84-F88 PolarHBondContact O-N 2.82Å; C85-F88 WeakPolarHBondContact O-CB 3.47Å; C85-F88 PolarHBondContact O-N 3.21Å; N86-F88 VanDerWaalsContact C-N 3.33Å; N86-F88 PolarHBondContact O-N 3.45Å
89F55.1Low70.7Confident155 Ų155104.8 Ų104.868%0.6853%0.532SS*.Hα-helixtrans-76-32.1176.7-91.2-83.3000113.1C85 N86C85-F89 WeakPolarHBondContact O-CB 3.21Å; C85-F89 VanDerWaalsContact O-CD2 3.3Å; C85-F89 WeakPolarHBondContact O-CD2 3.36Å; C85-F89 PolarHBondContact O-N 2.85Å; N86-F89 PolarHBondContact O-N 2.96Å
90I58.2Low69.5Low113 Ų113108.2 Ų108.258%0.57954%0.54SS*.Hα-helixtrans-76.7-29.5176.7-69.8173.7000111.7N86 D87 K92N86-I90 WeakPolarHBondContact ND2-CD1 3.17Å; N86-I90 WeakPolarHBondContact O-CB 3.3Å; N86-I90 WeakPolarHBondContact O-CG1 3.43Å; N86-I90 PolarHBondContact O-N 3.49Å; D87-I90 PolarHBondContact O-N 2.8Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.43Å
91K45Very low68.3Low187 Ų187111.8 Ų111.881%0.81355%0.549SS*.THydrogen-bonded Turntrans-79-2.2175.8-81.8-177.3175.3173.60114.5D87D87-K91 VanDerWaalsContact O-CB 3.3Å; D87-K91 WeakPolarHBondContact O-CB 3.21Å; D87-K91 WeakPolarHBondContact O-CG 3.47Å; D87-K91 PolarHBondContact O-N 3.22Å
92K42.9Very low67.3Low223 Ų223119.9 Ų119.997%0.9759%0.588SS**  trans-102.70177.7-155.2-176.6-173.7-175.90110.5I90I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 3.43Å

Retrieved 92 of 92 residues in 243.4 ms (Link to these results)

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