A0A087WQV4_MOUSE Loading...

Maturin

AlphaFold DB , UniProt , Accession A0A087WQV4, Species MOUSE (Mus musculus, Mouse), Gene Mturn, Length 148 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
1M60.5Low83Confident154 Ų15478.7 Ų78.776%0.75940%0.397SS*.  0136.50-76.3165.2171.100107.5
2D77.1Confident83.6Confident111 Ų11184.9 Ų84.959%0.59442%0.419SS*.  trans-66.9132.7175.3-73-91.3000110.5Q4 Q5 L6D2-Q4 PolarHBondContact O-N 3.47Å; D2-Q5 HydrophobicContact CB-CG 4.34Å; D2-Q5 PolarHBondContact O-N 3.07Å; D2-Q5 VanDerWaalsContact O-N 3.11Å; D2-L6 PolarHBondContact O-N 3.11Å
3F80.6Confident84Confident16 Ų1679 Ų797%0.0739%0.389CS..Hα-helixtrans-59.3-34.7177.8-177.5-99.4000111.4Q5 L6 A7 A24 E25 E26 R29 M31F3-Q5 VanDerWaalsContact C-N 3.31Å; F3-Q5 PolarHBondContact O-N 3.09Å; F3-L6 WeakPolarHBondContact O-CA 3.3Å; F3-L6 WeakPolarHBondContact O-CB 3.24Å; F3-L6 PolarHBondContact O-N 2.91Å; F3-A7 PolarHBondContact O-N 3.29Å; F3-A24 HydrophobicContact CE1-CB 4.31Å; F3-A24 HydrophobicContact CZ-CB 4.18Å; F3-E25 VanDerWaalsContact CZ-C 3.5Å; F3-E25 WeakPolarHBondContact CZ-O 3.41Å; F3-E26 HydrophobicContact CB-CG 4Å; F3-E26 HydrophobicContact CD1-CB 3.56Å; F3-E26 HydrophobicContact CD1-CG 3.69Å; F3-E26 HydrophobicContact CE1-CB 3.72Å; F3-E26 HydrophobicContact CE1-CG 4.35Å; F3-E26 HydrophobicContact CG-CB 4.16Å; F3-E26 HydrophobicContact CG-CG 3.9Å; F3-E26 HydrophobicContact CZ-CB 4.42Å; F3-R29 HydrophobicContact CD2-CB 4.34Å; F3-R29 HydrophobicContact CD2-CG 4.36Å; F3-R29 HydrophobicContact CE2-CB 4.37Å; F3-M31 HydrophobicContact CD2-CE 4.03Å; F3-M31 HydrophobicContact CE1-CE 4.06Å; F3-M31 HydrophobicContact CE2-CE 3.53Å; F3-M31 HydrophobicContact CE2-CG 4.27Å; F3-M31 HydrophobicContact CG-CE 4.49Å; F3-M31 HydrophobicContact CZ-CE 3.55Å; F3-M31 HydrophobicContact CZ-CG 4.12Å
4Q82.4Confident84.2Confident155 Ų15574.9 Ų74.972%0.72437%0.372SS*.Hα-helixtrans-61-35.2176.1-165.915885.100113.5D2 A7 D8D2-Q4 PolarHBondContact O-N 3.47Å; Q4-A7 PolarHBondContact O-N 2.97Å; Q4-D8 PolarHBondContact O-N 3.42Å; Q4-D8 VanDerWaalsContact O-N 3.07Å
5Q85.9Confident84.3Confident127 Ų12777 Ų7759%0.59340%0.397SS*.Hα-helixtrans-71.4-35.1173.7-69.8-174.828.100111.8D2 F3 A7 V9D2-Q5 HydrophobicContact CB-CG 4.34Å; D2-Q5 PolarHBondContact O-N 3.07Å; D2-Q5 VanDerWaalsContact O-N 3.11Å; F3-Q5 VanDerWaalsContact C-N 3.31Å; F3-Q5 PolarHBondContact O-N 3.09Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; Q5-V9 VanDerWaalsContact O-CG2 3.24Å; Q5-V9 WeakPolarHBondContact O-CG2 3.47Å; Q5-V9 PolarHBondContact O-N 3.35Å; Q5-V9 VanDerWaalsContact O-N 3.09Å
6L85.2Confident84.1Confident14 Ų1478.6 Ų78.67%0.07342%0.417CS..Hα-helixtrans-64.4-40174.6-66.7166.6000110.2D2 F3 V9 A10 M31 C45 F54 L82D2-L6 PolarHBondContact O-N 3.11Å; F3-L6 WeakPolarHBondContact O-CA 3.3Å; F3-L6 WeakPolarHBondContact O-CB 3.24Å; F3-L6 PolarHBondContact O-N 2.91Å; L6-V9 PolarHBondContact O-N 3.26Å; L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 3.24Å; L6-M31 HydrophobicContact CB-CE 3.77Å; L6-C45 HydrophobicContact CD1-CB 4.12Å; L6-F54 HydrophobicContact CD2-CE1 4.22Å; L6-F54 HydrophobicContact CD2-CZ 4.3Å; L6-L82 HydrophobicContact CB-CD2 3.93Å; L6-L82 HydrophobicContact CD2-CB 3.68Å; L6-L82 HydrophobicContact CD2-CD2 4.06Å; L6-L82 VanDerWaalsContact O-CD2 3.27Å; L6-L82 WeakPolarHBondContact O-CD2 3.47Å
7A86.8Confident84Confident17 Ų1775.2 Ų75.214%0.1440%0.4CS..Hα-helixtrans-64.6-46.6177.900000111.4F3 Q4 Q5 V9 A10 E11 M31F3-A7 PolarHBondContact O-N 3.29Å; Q4-A7 PolarHBondContact O-N 2.97Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; A7-V9 VanDerWaalsContact C-N 3.31Å; A7-V9 PolarHBondContact O-N 3.2Å; A7-A10 WeakPolarHBondContact O-CB 3.46Å; A7-A10 PolarHBondContact O-N 3.37Å; A7-A10 VanDerWaalsContact O-N 3.1Å; A7-E11 WeakPolarHBondContact O-CG 3.27Å; A7-E11 PolarHBondContact O-N 3.29Å; A7-M31 HydrophobicContact CB-CE 3.82Å; A7-M31 VanDerWaalsContact N-CE 3.3Å
8D89.3Confident84Confident105 Ų10574.7 Ų74.756%0.56140%0.402SS*.Hα-helixtrans-59.3-41.8176.9-173.3-92.9000111.9Q4 E11 K12Q4-D8 PolarHBondContact O-N 3.42Å; Q4-D8 VanDerWaalsContact O-N 3.07Å; D8-E11 PolarHBondContact O-N 3.12Å; D8-K12 VanDerWaalsContact O-CB 3.3Å; D8-K12 WeakPolarHBondContact O-CB 3.36Å; D8-K12 PolarHBondContact O-N 3.21Å
9V89.1Confident84.1Confident50 Ų5070.8 Ų70.830%0.30338%0.38SS..Hα-helixtrans-63.8-42.5175170.30000111.6Q5 L6 A7 W13 H83Q5-V9 VanDerWaalsContact O-CG2 3.24Å; Q5-V9 WeakPolarHBondContact O-CG2 3.47Å; Q5-V9 PolarHBondContact O-N 3.35Å; Q5-V9 VanDerWaalsContact O-N 3.09Å; L6-V9 PolarHBondContact O-N 3.26Å; A7-V9 VanDerWaalsContact C-N 3.31Å; A7-V9 PolarHBondContact O-N 3.2Å; V9-W13 WeakPolarHBondContact O-CB 3.49Å; V9-W13 PolarHBondContact O-N 3.1Å; V9-H83 HydrophobicContact CG1-CB 3.76Å
10A88.1Confident84.3Confident0 Ų073.6 Ų73.60%039%0.391CS..Hα-helixtrans-62.4-48.5176.800000111.6L6 A7 K12 W13 C14 L21 M31 F33 L82L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 3.24Å; A7-A10 WeakPolarHBondContact O-CB 3.46Å; A7-A10 PolarHBondContact O-N 3.37Å; A7-A10 VanDerWaalsContact O-N 3.1Å; A10-K12 VanDerWaalsContact C-N 3.34Å; A10-K12 PolarHBondContact O-N 2.86Å; A10-W13 WeakPolarHBondContact O-CB 3.38Å; A10-W13 PolarHBondContact O-N 3.43Å; A10-W13 VanDerWaalsContact O-N 3.16Å; A10-C14 PolarHBondContact O-N 3.31Å; A10-C14 PolarHBondContact O-SG 3.43Å; A10-L21 HydrophobicContact CB-CD2 4.43Å; A10-M31 HydrophobicContact CB-SD 4.08Å; A10-F33 HydrophobicContact CB-CE1 3.83Å; A10-F33 HydrophobicContact CB-CZ 3.65Å; A10-L82 HydrophobicContact CB-CD2 4.16Å
11E88.6Confident84.6Confident117 Ų11772.3 Ų72.355%0.54738%0.384SS..Hα-helixtrans-60.9-42.7178.1-72.4-171.487.400112.1A7 D8 W13 C14 S15 L21A7-E11 WeakPolarHBondContact O-CG 3.27Å; A7-E11 PolarHBondContact O-N 3.29Å; D8-E11 PolarHBondContact O-N 3.12Å; E11-W13 VanDerWaalsContact C-N 3.29Å; E11-W13 PolarHBondContact O-N 2.89Å; E11-C14 WeakPolarHBondContact O-CB 3.35Å; E11-C14 PolarHBondContact O-N 3.16Å; E11-S15 PolarHBondContact O-N 3.3Å; E11-S15 VanDerWaalsContact O-N 3.12Å; E11-S15 PolarHBondContact O-OG 3.4Å; E11-L21 HydrophobicContact CG-CD2 3.96Å
12K89.8Confident86Confident153 Ų15370.1 Ų70.167%0.66537%0.374SS*.Hα-helixtrans-64.1-37.5176.6-171.2174.4-175.8177.70112.1D8 A10 S15D8-K12 VanDerWaalsContact O-CB 3.3Å; D8-K12 WeakPolarHBondContact O-CB 3.36Å; D8-K12 PolarHBondContact O-N 3.21Å; A10-K12 VanDerWaalsContact C-N 3.34Å; A10-K12 PolarHBondContact O-N 2.86Å; K12-S15 WeakPolarHBondContact O-CB 3.41Å; K12-S15 PolarHBondContact O-N 2.99Å
13W88.9Confident86.6Confident8 Ų866.7 Ų66.73%0.0336%0.362CS..Hα-helixtrans-67.9-42.9175.6176.682.7000111.6V9 A10 E11 S15 S16 T17 F19 F33 F41 L86 F90V9-W13 WeakPolarHBondContact O-CB 3.49Å; V9-W13 PolarHBondContact O-N 3.1Å; A10-W13 WeakPolarHBondContact O-CB 3.38Å; A10-W13 PolarHBondContact O-N 3.43Å; A10-W13 VanDerWaalsContact O-N 3.16Å; E11-W13 VanDerWaalsContact C-N 3.29Å; E11-W13 PolarHBondContact O-N 2.89Å; W13-S15 PolarHBondContact O-N 2.92Å; W13-S16 PolarHBondContact O-N 3.07Å; W13-T17 HydrophobicContact CD2-CG2 4.14Å; W13-T17 VanDerWaalsContact CE2-CG2 3.49Å; W13-T17 HydrophobicContact CH2-CG2 4.47Å; W13-T17 HydrophobicContact CZ2-CG2 3.68Å; W13-T17 PolarHBondContact O-N 3.35Å; W13-T17 PolarHBondContact O-OG1 2.91Å; W13-F19 HydrophobicContact CE3-CB 4.48Å; W13-F19 HydrophobicContact CH2-CB 3.55Å; W13-F19 HydrophobicContact CH2-CD1 4.38Å; W13-F19 AromaticContact CH2-CD2 3.55Å; W13-F19 HydrophobicContact CH2-CD2 3.55Å; W13-F19 HydrophobicContact CH2-CE2 4.37Å; W13-F19 AromaticContact CH2-CG 3.56Å; W13-F19 HydrophobicContact CH2-CG 3.56Å; W13-F19 HydrophobicContact CZ2-CD2 4.17Å; W13-F19 HydrophobicContact CZ3-CB 3.44Å; W13-F19 VanDerWaalsContact CZ3-CB 3.44Å; W13-F19 HydrophobicContact CZ3-CD2 4.34Å; W13-F19 AromaticContact CZ3-CG 3.97Å; W13-F19 HydrophobicContact CZ3-CG 3.97Å; W13-F33 HydrophobicContact CE3-CD1 4.43Å; W13-F33 HydrophobicContact CE3-CE1 4.27Å; W13-F33 AromaticContact CZ3-CD1 3.98Å; W13-F33 HydrophobicContact CZ3-CD1 3.98Å; W13-F33 HydrophobicContact CZ3-CE1 4.24Å; W13-F41 HydrophobicContact CH2-CE1 4.34Å; W13-F41 AromaticContact CH2-CZ 4Å; W13-F41 HydrophobicContact CH2-CZ 4Å; W13-F41 HydrophobicContact CZ3-CZ 4.24Å; W13-L86 HydrophobicContact CB-CD1 4.19Å; W13-L86 HydrophobicContact CD2-CB 3.8Å; W13-L86 HydrophobicContact CD2-CD1 3.86Å; W13-L86 HydrophobicContact CD2-CG 4.29Å; W13-L86 HydrophobicContact CE3-CB 4.29Å; W13-L86 HydrophobicContact CE3-CD1 3.87Å; W13-L86 HydrophobicContact CE3-CD2 4.23Å; W13-L86 HydrophobicContact CE3-CG 4.36Å; W13-L86 HydrophobicContact CG-CB 4.12Å; W13-L86 HydrophobicContact CG-CD1 3.99Å; W13-L86 HydrophobicContact CH2-CB 4.44Å; W13-L86 HydrophobicContact CH2-CD2 4.3Å; W13-L86 HydrophobicContact CZ2-CB 3.99Å; W13-L86 HydrophobicContact CZ3-CD2 4.07Å; W13-F90 HydrophobicContact CZ2-CB 4.04Å; W13-F90 HydrophobicContact CZ2-CD2 4.31Å; W13-F90 HydrophobicContact CZ2-CG 4.43Å
14C86.4Confident87Confident21 Ų2168.2 Ų68.214%0.14238%0.377CS..Hα-helixtrans-57-30.3173.2-71.30000113A10 E11 S16 F19 L21A10-C14 PolarHBondContact O-N 3.31Å; A10-C14 PolarHBondContact O-SG 3.43Å; E11-C14 WeakPolarHBondContact O-CB 3.35Å; E11-C14 PolarHBondContact O-N 3.16Å; C14-S16 PolarHBondContact O-N 3.37Å; C14-F19 WeakPolarHBondContact CA-O 3.36Å; C14-F19 WeakPolarHBondContact CB-O 3.5Å; C14-F19 PolarHBondContact SG-O 3.4Å; C14-L21 PolarHBondContact SG-N 2.79Å; C14-L21 VanDerWaalsContact SG-N 3.43Å
15S86.2Confident87.2Confident107 Ų10764.7 Ų64.775%0.74836%0.361SS*.THydrogen-bonded Turntrans-69.3-16.7174.9-60.10000114E11 K12 W13E11-S15 PolarHBondContact O-N 3.3Å; E11-S15 VanDerWaalsContact O-N 3.12Å; E11-S15 PolarHBondContact O-OG 3.4Å; K12-S15 WeakPolarHBondContact O-CB 3.41Å; K12-S15 PolarHBondContact O-N 2.99Å; W13-S15 PolarHBondContact O-N 2.92Å
16S81.4Confident87Confident103 Ų10364.5 Ų64.572%0.7236%0.36SS*.THydrogen-bonded Turntrans-109.3-4.7-177.1-53.90000113.2W13 C14W13-S16 PolarHBondContact O-N 3.07Å; C14-S16 PolarHBondContact O-N 3.37Å
17T82.4Confident86.6Confident21 Ų2170.2 Ų70.213%0.12940%0.395CS..SBendtrans-131.3161.3-176.464.20000109.7W13 F19 F90W13-T17 HydrophobicContact CD2-CG2 4.14Å; W13-T17 VanDerWaalsContact CE2-CG2 3.49Å; W13-T17 HydrophobicContact CH2-CG2 4.47Å; W13-T17 HydrophobicContact CZ2-CG2 3.68Å; W13-T17 PolarHBondContact O-N 3.35Å; W13-T17 PolarHBondContact O-OG1 2.91Å; T17-F19 PolarHBondContact O-N 3.08Å; T17-F19 VanDerWaalsContact O-N 3.08Å; T17-F90 HydrophobicContact CG2-CD2 4.08Å; T17-F90 HydrophobicContact CG2-CE2 4.16Å; T17-F90 HydrophobicContact CG2-CG 4.36Å; T17-F90 HydrophobicContact CG2-CZ 4.45Å
18P82.8Confident86.2Confident66 Ų6674.8 Ų74.843%0.42941%0.414SS..SBendtrans-7414173.232.5-37.6000113.2A35 F90 L97P18-A35 WeakPolarHBondContact O-CB 3.41Å; P18-F90 HydrophobicContact CG-CE2 4.27Å; P18-L97 HydrophobicContact CG-CD1 4.44Å
19F85.6Confident85.9Confident0 Ų072.9 Ų72.90%040%0.399CS..EExtended strand (participates in β ladder)trans-99139178.9-72.1-89.2000110.1W13 C14 T17 Y34 A35 V39 F41 F90 F93 L97W13-F19 HydrophobicContact CE3-CB 4.48Å; W13-F19 HydrophobicContact CH2-CB 3.55Å; W13-F19 HydrophobicContact CH2-CD1 4.38Å; W13-F19 AromaticContact CH2-CD2 3.55Å; W13-F19 HydrophobicContact CH2-CD2 3.55Å; W13-F19 HydrophobicContact CH2-CE2 4.37Å; W13-F19 AromaticContact CH2-CG 3.56Å; W13-F19 HydrophobicContact CH2-CG 3.56Å; W13-F19 HydrophobicContact CZ2-CD2 4.17Å; W13-F19 HydrophobicContact CZ3-CB 3.44Å; W13-F19 VanDerWaalsContact CZ3-CB 3.44Å; W13-F19 HydrophobicContact CZ3-CD2 4.34Å; W13-F19 AromaticContact CZ3-CG 3.97Å; W13-F19 HydrophobicContact CZ3-CG 3.97Å; C14-F19 WeakPolarHBondContact CA-O 3.36Å; C14-F19 WeakPolarHBondContact CB-O 3.5Å; C14-F19 PolarHBondContact SG-O 3.4Å; T17-F19 PolarHBondContact O-N 3.08Å; T17-F19 VanDerWaalsContact O-N 3.08Å; F19-Y34 CarbonylContact C-O 3.52Å; F19-Y34 WeakPolarHBondContact CA-O 2.88Å; F19-A35 HydrophobicContact CB-CB 4.48Å; F19-A35 HydrophobicContact CD1-CB 3.31Å; F19-A35 HydrophobicContact CD2-CB 4.19Å; F19-A35 HydrophobicContact CE1-CB 3.35Å; F19-A35 HydrophobicContact CE2-CB 4.21Å; F19-A35 HydrophobicContact CG-CB 3.76Å; F19-A35 HydrophobicContact CZ-CB 3.83Å; F19-V39 HydrophobicContact CE1-CB 4.32Å; F19-V39 HydrophobicContact CE1-CG1 3.89Å; F19-V39 HydrophobicContact CZ-CG1 4.18Å; F19-F41 HydrophobicContact CD1-CD1 4.1Å; F19-F41 AromaticContact CD1-CE1 3.48Å; F19-F41 HydrophobicContact CD1-CE1 3.48Å; F19-F41 VanDerWaalsContact CD1-CE1 3.48Å; F19-F41 HydrophobicContact CD1-CZ 4.48Å; F19-F41 AromaticContact CE1-CD1 3.81Å; F19-F41 HydrophobicContact CE1-CD1 3.81Å; F19-F41 AromaticContact CE1-CE1 3.47Å; F19-F41 HydrophobicContact CE1-CE1 3.47Å; F19-F41 VanDerWaalsContact CE1-CE1 3.47Å; F19-F41 HydrophobicContact CG-CE1 4.22Å; F19-F41 HydrophobicContact CZ-CE1 4.19Å; F19-F90 AromaticContact CD2-CD2 3.98Å; F19-F90 HydrophobicContact CD2-CD2 3.98Å; F19-F90 HydrophobicContact CD2-CE2 4.28Å; F19-F90 AromaticContact CE2-CD2 3.63Å; F19-F90 HydrophobicContact CE2-CD2 3.63Å; F19-F90 AromaticContact CE2-CE2 3.99Å; F19-F90 HydrophobicContact CE2-CE2 3.99Å; F19-F93 HydrophobicContact CZ-CD2 4.25Å; F19-L97 HydrophobicContact CE2-CD1 4.37Å
20E89.4Confident85.8Confident127 Ų12773.7 Ų73.759%0.59340%0.396SS*.EExtended strand (participates in β ladder)trans-118.4140.2178.3-64.8-179.594.900109.8I22 F33 Y34E20-I22 HydrophobicContact CB-CD1 3.87Å; E20-I22 WeakPolarHBondContact O-CD1 3.1Å; E20-I22 PolarHBondContact O-N 3.22Å; E20-F33 CarbonylContact O-C 3.38Å; E20-F33 VanDerWaalsContact O-CA 3.25Å; E20-F33 WeakPolarHBondContact O-CA 3.19Å; E20-Y34 PolarHBondContact N-O 3.27Å; E20-Y34 PolarHBondContact O-N 3.43Å
21L90.3Very high85.8Confident47 Ų4773.7 Ų73.725%0.24640%0.396CS..EExtended strand (participates in β ladder)trans-81113.1175-179.571.7000108.7A10 E11 C14 A23 A24 M31 F33A10-L21 HydrophobicContact CB-CD2 4.43Å; E11-L21 HydrophobicContact CG-CD2 3.96Å; C14-L21 PolarHBondContact SG-N 2.79Å; C14-L21 VanDerWaalsContact SG-N 3.43Å; L21-A23 WeakPolarHBondContact CD1-O 3.4Å; L21-A24 HydrophobicContact CD2-CB 4.25Å; L21-M31 HydrophobicContact CD1-CB 3.91Å; L21-M31 HydrophobicContact CD1-CG 4.32Å; L21-F33 HydrophobicContact CB-CD1 4.29Å; L21-F33 HydrophobicContact CB-CE1 4.18Å; L21-F33 HydrophobicContact CD1-CD1 4.03Å; L21-F33 HydrophobicContact CD1-CE1 3.62Å; L21-F33 HydrophobicContact CD1-CE2 4.22Å; L21-F33 HydrophobicContact CD1-CZ 3.72Å; L21-F33 HydrophobicContact CG-CE1 4.47Å
22I90.5Very high85.9Confident107 Ų10769.6 Ų69.655%0.54938%0.378SS..EExtended strand (participates in β ladder)trans-98.3-32.9-173.2-40.8-60.5000111.4E20 D32 Y34E20-I22 HydrophobicContact CB-CD1 3.87Å; E20-I22 WeakPolarHBondContact O-CD1 3.1Å; E20-I22 PolarHBondContact O-N 3.22Å; I22-D32 PolarHBondContact N-O 3.08Å; I22-Y34 HydrophobicContact CG1-CG 4.48Å
23A89Confident85.9Confident40 Ų4062.3 Ų62.333%0.33135%0.347SS..EExtended strand (participates in β ladder)trans-145.4145.3174.200000111.2L21 M31 D32L21-A23 WeakPolarHBondContact CD1-O 3.4Å; A23-M31 CarbonylContact O-C 3.52Å; A23-M31 WeakPolarHBondContact O-CA 3.37Å; A23-D32 HydrophobicContact CB-CB 4.18Å; A23-D32 PolarHBondContact N-O 3.22Å; A23-D32 PolarHBondContact O-N 2.78Å
24A88.8Confident85.9Confident47 Ų4766.4 Ų66.439%0.38836%0.363SS..EExtended strand (participates in β ladder)trans-140.3103172.300000108.5F3 L21 R30 M31F3-A24 HydrophobicContact CE1-CB 4.31Å; F3-A24 HydrophobicContact CZ-CB 4.18Å; L21-A24 HydrophobicContact CD2-CB 4.25Å; A24-R30 CarbonylContact C-O 3.45Å; A24-R30 WeakPolarHBondContact CA-O 3.21Å; A24-M31 HydrophobicContact CB-CG 4.1Å
25E87.7Confident85.8Confident82 Ų8265.4 Ų65.438%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-100.1112.4179.6-69.5-167.280.800110.3F3 E28 R29 R30F3-E25 VanDerWaalsContact CZ-C 3.5Å; F3-E25 WeakPolarHBondContact CZ-O 3.41Å; E25-E28 HydrophobicContact CB-CB 4.34Å; E25-R29 CarbonylContact O-C 3.53Å; E25-R29 WeakPolarHBondContact O-CA 3.29Å; E25-R29 PolarHBondContact O-N 2.94Å; E25-R30 PolarHBondContact N-O 2.86Å; E25-R30 PolarHBondContact O-N 2.89Å
26E80.7Confident85.4Confident123 Ų12366.1 Ų66.158%0.57535%0.351SS*.THydrogen-bonded Turntrans-68.7-36.4179-176172.490.500112.1F3 E28 R29F3-E26 HydrophobicContact CB-CG 4Å; F3-E26 HydrophobicContact CD1-CB 3.56Å; F3-E26 HydrophobicContact CD1-CG 3.69Å; F3-E26 HydrophobicContact CE1-CB 3.72Å; F3-E26 HydrophobicContact CE1-CG 4.35Å; F3-E26 HydrophobicContact CG-CB 4.16Å; F3-E26 HydrophobicContact CG-CG 3.9Å; F3-E26 HydrophobicContact CZ-CB 4.42Å; E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.16Å; E26-R29 WeakPolarHBondContact O-CG 3.44Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 VanDerWaalsContact O-N 3.16Å
27T77.8Confident84.6Confident134 Ų13466.5 Ų66.582%0.82235%0.351SS*.THydrogen-bonded Turntrans-62.5-38179.126.30000112.9
28E78Confident84.3Confident112 Ų11267 Ų6752%0.52336%0.36SS..THydrogen-bonded Turntrans-97.5-1.5177-62.5-167.276.500112.1E25 E26 R30E25-E28 HydrophobicContact CB-CB 4.34Å; E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.16Å; E28-R30 HydrophobicContact CB-CB 4.02Å; E28-R30 PolarHBondContact O-N 2.82Å; E28-R30 VanDerWaalsContact O-N 3.14Å
29R81.9Confident84.2Confident65 Ų6564.7 Ų64.725%0.24535%0.345CS..THydrogen-bonded Turntrans4540.5-171.2-66.4-177.3172.7-84.4-4.5112F3 E25 E26 C45 D47F3-R29 HydrophobicContact CD2-CB 4.34Å; F3-R29 HydrophobicContact CD2-CG 4.36Å; F3-R29 HydrophobicContact CE2-CB 4.37Å; E25-R29 CarbonylContact O-C 3.53Å; E25-R29 WeakPolarHBondContact O-CA 3.29Å; E25-R29 PolarHBondContact O-N 2.94Å; E26-R29 WeakPolarHBondContact O-CG 3.44Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 VanDerWaalsContact O-N 3.16Å; R29-C45 HydrophobicContact CB-CB 4.13Å; R29-C45 PolarHBondContact O-N 2.87Å; R29-D47 IonicContact CZ-OD2 3.59Å; R29-D47 IonicContact NE-OD2 2.82Å; R29-D47 PolarHBondContact NE-OD2 2.82Å; R29-D47 IonicContact NH2-OD2 3.58Å
30R86.9Confident84.3Confident67 Ų6765.7 Ų65.725%0.25335%0.352SS..EExtended strand (participates in β ladder)trans-112.1134.6-172.5-177.7-178.3167.5178.5-2.6109.9A24 E25 E28 D32 Y42 V43 L44A24-R30 CarbonylContact C-O 3.45Å; A24-R30 WeakPolarHBondContact CA-O 3.21Å; E25-R30 PolarHBondContact N-O 2.86Å; E25-R30 PolarHBondContact O-N 2.89Å; E28-R30 HydrophobicContact CB-CB 4.02Å; E28-R30 PolarHBondContact O-N 2.82Å; E28-R30 VanDerWaalsContact O-N 3.14Å; R30-D32 IonicContact CZ-OD1 3.69Å; R30-D32 IonicContact CZ-OD2 3.33Å; R30-D32 IonicContact NE-OD1 3.76Å; R30-D32 IonicContact NE-OD2 2.71Å; R30-D32 PolarHBondContact NE-OD2 3.45Å; R30-D32 IonicContact NH2-OD1 2.83Å; R30-D32 PolarHBondContact NH2-OD1 2.9Å; R30-D32 IonicContact NH2-OD2 3.27Å; R30-D32 PolarHBondContact NH2-OD2 3.46Å; R30-Y42 HydrophobicContact CG-CD2 4.48Å; R30-V43 CarbonylContact C-O 3.59Å; R30-V43 WeakPolarHBondContact CA-O 3.5Å; R30-L44 HydrophobicContact CB-CD2 3.95Å; R30-L44 HydrophobicContact CG-CD2 4.15Å
31M89.4Confident84.3Confident0 Ų059.7 Ų59.70%032%0.324CS..EExtended strand (participates in β ladder)trans-125.6122174.6-70.2173.417900109.6F3 L6 A7 A10 L21 A23 A24 F33 Y42 V43 L82F3-M31 HydrophobicContact CD2-CE 4.03Å; F3-M31 HydrophobicContact CE1-CE 4.06Å; F3-M31 HydrophobicContact CE2-CE 3.53Å; F3-M31 HydrophobicContact CE2-CG 4.27Å; F3-M31 HydrophobicContact CG-CE 4.49Å; F3-M31 HydrophobicContact CZ-CE 3.55Å; F3-M31 HydrophobicContact CZ-CG 4.12Å; L6-M31 HydrophobicContact CB-CE 3.77Å; A7-M31 HydrophobicContact CB-CE 3.82Å; A7-M31 VanDerWaalsContact N-CE 3.3Å; A10-M31 HydrophobicContact CB-SD 4.08Å; L21-M31 HydrophobicContact CD1-CB 3.91Å; L21-M31 HydrophobicContact CD1-CG 4.32Å; A23-M31 CarbonylContact O-C 3.52Å; A23-M31 WeakPolarHBondContact O-CA 3.37Å; A24-M31 HydrophobicContact CB-CG 4.1Å; M31-F33 HydrophobicContact CB-CE2 3.68Å; M31-F33 HydrophobicContact CB-CZ 4.06Å; M31-Y42 CarbonylContact O-C 3.53Å; M31-Y42 WeakPolarHBondContact O-CA 3.35Å; M31-V43 PolarHBondContact N-O 3.38Å; M31-V43 PolarHBondContact O-N 3.19Å; M31-L82 HydrophobicContact SD-CD2 3.88Å
32D90.3Very high84.2Confident31 Ų3159.9 Ų59.917%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-101.8130.5177.9-77.9-112.1000110.5I22 A23 R30 Y42I22-D32 PolarHBondContact N-O 3.08Å; A23-D32 HydrophobicContact CB-CB 4.18Å; A23-D32 PolarHBondContact N-O 3.22Å; A23-D32 PolarHBondContact O-N 2.78Å; R30-D32 IonicContact CZ-OD1 3.69Å; R30-D32 IonicContact CZ-OD2 3.33Å; R30-D32 IonicContact NE-OD1 3.76Å; R30-D32 IonicContact NE-OD2 2.71Å; R30-D32 PolarHBondContact NE-OD2 3.45Å; R30-D32 IonicContact NH2-OD1 2.83Å; R30-D32 PolarHBondContact NH2-OD1 2.9Å; R30-D32 IonicContact NH2-OD2 3.27Å; R30-D32 PolarHBondContact NH2-OD2 3.46Å; D32-Y42 WeakPolarHBondContact OD1-CB 3.48Å; D32-Y42 WeakPolarHBondContact OD2-CB 3.41Å
33F89.6Confident84.1Confident1 Ų154.8 Ų54.80%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-117.6147.3179.3-59.7-90.5000109.9A10 W13 E20 L21 M31 S40 F41 V43 L86A10-F33 HydrophobicContact CB-CE1 3.83Å; A10-F33 HydrophobicContact CB-CZ 3.65Å; W13-F33 HydrophobicContact CE3-CD1 4.43Å; W13-F33 HydrophobicContact CE3-CE1 4.27Å; W13-F33 AromaticContact CZ3-CD1 3.98Å; W13-F33 HydrophobicContact CZ3-CD1 3.98Å; W13-F33 HydrophobicContact CZ3-CE1 4.24Å; E20-F33 CarbonylContact O-C 3.38Å; E20-F33 VanDerWaalsContact O-CA 3.25Å; E20-F33 WeakPolarHBondContact O-CA 3.19Å; L21-F33 HydrophobicContact CB-CD1 4.29Å; L21-F33 HydrophobicContact CB-CE1 4.18Å; L21-F33 HydrophobicContact CD1-CD1 4.03Å; L21-F33 HydrophobicContact CD1-CE1 3.62Å; L21-F33 HydrophobicContact CD1-CE2 4.22Å; L21-F33 HydrophobicContact CD1-CZ 3.72Å; L21-F33 HydrophobicContact CG-CE1 4.47Å; M31-F33 HydrophobicContact CB-CE2 3.68Å; M31-F33 HydrophobicContact CB-CZ 4.06Å; F33-S40 CarbonylContact O-C 3.56Å; F33-S40 VanDerWaalsContact O-CA 3.26Å; F33-S40 WeakPolarHBondContact O-CA 3.19Å; F33-F41 WeakPolarHBondContact CA-O 3.48Å; F33-F41 HydrophobicContact CB-CD1 4.16Å; F33-F41 HydrophobicContact CB-CD2 4.42Å; F33-F41 HydrophobicContact CB-CE1 3.83Å; F33-F41 HydrophobicContact CB-CE2 4.09Å; F33-F41 HydrophobicContact CB-CG 4.45Å; F33-F41 HydrophobicContact CB-CZ 3.78Å; F33-F41 HydrophobicContact CD2-CD2 4.06Å; F33-F41 AromaticContact CD2-CE2 3.51Å; F33-F41 HydrophobicContact CD2-CE2 3.51Å; F33-F41 AromaticContact CD2-CZ 3.89Å; F33-F41 HydrophobicContact CD2-CZ 3.89Å; F33-F41 HydrophobicContact CE2-CE2 4.19Å; F33-F41 HydrophobicContact CG-CE1 4.4Å; F33-F41 AromaticContact CG-CE2 3.96Å; F33-F41 HydrophobicContact CG-CE2 3.96Å; F33-F41 AromaticContact CG-CZ 3.85Å; F33-F41 HydrophobicContact CG-CZ 3.85Å; F33-F41 PolarHBondContact N-O 3.06Å; F33-F41 PolarHBondContact O-N 3.1Å; F33-V43 HydrophobicContact CD2-CG2 4.16Å; F33-V43 HydrophobicContact CE2-CB 4.39Å; F33-V43 HydrophobicContact CE2-CG2 3.77Å; F33-L86 HydrophobicContact CD2-CD2 4.44Å; F33-L86 HydrophobicContact CE1-CD2 4.45Å; F33-L86 HydrophobicContact CE2-CD2 4.02Å; F33-L86 HydrophobicContact CZ-CD1 4.27Å; F33-L86 HydrophobicContact CZ-CD2 4.02Å
34Y87.8Confident84Confident94 Ų9456.1 Ų56.137%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-137.7140.4176.4176.9-90.4000110.5F19 E20 I22 V39F19-Y34 CarbonylContact C-O 3.52Å; F19-Y34 WeakPolarHBondContact CA-O 2.88Å; E20-Y34 PolarHBondContact N-O 3.27Å; E20-Y34 PolarHBondContact O-N 3.43Å; I22-Y34 HydrophobicContact CG1-CG 4.48Å; Y34-V39 CarbonylContact C-O 3.5Å
35A85.1Confident83.6Confident0 Ų054.4 Ų54.40%028%0.282CS..EExtended strand (participates in β ladder)trans-131.8141.2170.600000110.7P18 F19 G38 V39P18-A35 WeakPolarHBondContact O-CB 3.41Å; F19-A35 HydrophobicContact CB-CB 4.48Å; F19-A35 HydrophobicContact CD1-CB 3.31Å; F19-A35 HydrophobicContact CD2-CB 4.19Å; F19-A35 HydrophobicContact CE1-CB 3.35Å; F19-A35 HydrophobicContact CE2-CB 4.21Å; F19-A35 HydrophobicContact CG-CB 3.76Å; F19-A35 HydrophobicContact CZ-CB 3.83Å; A35-G38 CarbonylContact O-C 3.53Å; A35-G38 PolarHBondContact O-N 3.33Å; A35-V39 HydrophobicContact CB-CB 4.44Å; A35-V39 PolarHBondContact N-O 3.15Å; A35-V39 PolarHBondContact O-N 3.13Å
36D77.6Confident83Confident122 Ų12252.4 Ų52.465%0.65228%0.276SS*.THydrogen-bonded Turntrans-76.6136.9170.3-170.4-100.7000110.2
37P65.8Low82.3Confident111 Ų11151 Ų5172%0.72127%0.272SS*.THydrogen-bonded Turncis-101.753.512.339.2-34000114.8
38G74.9Confident81.4Confident31 Ų3152.1 Ų52.132%0.3227%0.273SS..THydrogen-bonded Turntrans122.625.5165.600000116.3A35A35-G38 CarbonylContact O-C 3.53Å; A35-G38 PolarHBondContact O-N 3.33Å
39V81.6Confident80.2Confident18 Ų1850 Ų5011%0.10928%0.281CS..EExtended strand (participates in β ladder)trans-93.5107.1173.9-179.60000108.8F19 Y34 A35 F93F19-V39 HydrophobicContact CE1-CB 4.32Å; F19-V39 HydrophobicContact CE1-CG1 3.89Å; F19-V39 HydrophobicContact CZ-CG1 4.18Å; Y34-V39 CarbonylContact C-O 3.5Å; A35-V39 HydrophobicContact CB-CB 4.44Å; A35-V39 PolarHBondContact N-O 3.15Å; A35-V39 PolarHBondContact O-N 3.13Å; V39-F93 HydrophobicContact CG1-CD1 4.2Å; V39-F93 HydrophobicContact CG1-CE1 3.97Å; V39-F93 HydrophobicContact CG1-CE2 4.41Å; V39-F93 HydrophobicContact CG1-CZ 4.09Å
40S87.1Confident78.5Confident20 Ų2053.1 Ų53.114%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-108.4142.7170.464.70000111F33 S58 E59F33-S40 CarbonylContact O-C 3.56Å; F33-S40 VanDerWaalsContact O-CA 3.26Å; F33-S40 WeakPolarHBondContact O-CA 3.19Å; S40-S58 WeakPolarHBondContact O-CA 3.39Å; S40-S58 WeakPolarHBondContact O-CB 3.41Å; S40-S58 PolarHBondContact O-OG 2.73Å; S40-E59 PolarHBondContact OG-OE2 2.9Å
41F88.9Confident77Confident2 Ų251.6 Ų51.61%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-149.8152.7170.272.7-92.7000111W13 F19 F33 V43 W57 L67 L86 V89 F93W13-F41 HydrophobicContact CH2-CE1 4.34Å; W13-F41 AromaticContact CH2-CZ 4Å; W13-F41 HydrophobicContact CH2-CZ 4Å; W13-F41 HydrophobicContact CZ3-CZ 4.24Å; F19-F41 HydrophobicContact CD1-CD1 4.1Å; F19-F41 AromaticContact CD1-CE1 3.48Å; F19-F41 HydrophobicContact CD1-CE1 3.48Å; F19-F41 VanDerWaalsContact CD1-CE1 3.48Å; F19-F41 HydrophobicContact CD1-CZ 4.48Å; F19-F41 AromaticContact CE1-CD1 3.81Å; F19-F41 HydrophobicContact CE1-CD1 3.81Å; F19-F41 AromaticContact CE1-CE1 3.47Å; F19-F41 HydrophobicContact CE1-CE1 3.47Å; F19-F41 VanDerWaalsContact CE1-CE1 3.47Å; F19-F41 HydrophobicContact CG-CE1 4.22Å; F19-F41 HydrophobicContact CZ-CE1 4.19Å; F33-F41 WeakPolarHBondContact CA-O 3.48Å; F33-F41 HydrophobicContact CB-CD1 4.16Å; F33-F41 HydrophobicContact CB-CD2 4.42Å; F33-F41 HydrophobicContact CB-CE1 3.83Å; F33-F41 HydrophobicContact CB-CE2 4.09Å; F33-F41 HydrophobicContact CB-CG 4.45Å; F33-F41 HydrophobicContact CB-CZ 3.78Å; F33-F41 HydrophobicContact CD2-CD2 4.06Å; F33-F41 AromaticContact CD2-CE2 3.51Å; F33-F41 HydrophobicContact CD2-CE2 3.51Å; F33-F41 AromaticContact CD2-CZ 3.89Å; F33-F41 HydrophobicContact CD2-CZ 3.89Å; F33-F41 HydrophobicContact CE2-CE2 4.19Å; F33-F41 HydrophobicContact CG-CE1 4.4Å; F33-F41 AromaticContact CG-CE2 3.96Å; F33-F41 HydrophobicContact CG-CE2 3.96Å; F33-F41 AromaticContact CG-CZ 3.85Å; F33-F41 HydrophobicContact CG-CZ 3.85Å; F33-F41 PolarHBondContact N-O 3.06Å; F33-F41 PolarHBondContact O-N 3.1Å; F41-V43 HydrophobicContact CD2-CG2 4.03Å; F41-V43 HydrophobicContact CE2-CG2 3.76Å; F41-W57 CarbonylContact C-O 3.52Å; F41-W57 WeakPolarHBondContact CA-O 3.25Å; F41-W57 VanDerWaalsContact CB-O 3.26Å; F41-W57 WeakPolarHBondContact CB-O 3.31Å; F41-L67 HydrophobicContact CB-CD1 4.21Å; F41-L86 HydrophobicContact CE2-CD2 3.65Å; F41-L86 HydrophobicContact CZ-CD2 3.69Å; F41-V89 HydrophobicContact CD1-CG1 4.48Å; F41-V89 HydrophobicContact CE1-CG1 4.21Å; F41-V89 HydrophobicContact CE2-CG1 4.36Å; F41-V89 HydrophobicContact CZ-CG1 4.16Å; F41-F93 HydrophobicContact CD1-CE2 4.34Å
42Y89.2Confident75.7Confident51 Ų5159.2 Ų59.220%0.236%0.357CS..EExtended strand (participates in β ladder)trans-120.6149.9175.461.7-95.7000112.1R30 M31 D32 L44 V56 W57R30-Y42 HydrophobicContact CG-CD2 4.48Å; M31-Y42 CarbonylContact O-C 3.53Å; M31-Y42 WeakPolarHBondContact O-CA 3.35Å; D32-Y42 WeakPolarHBondContact OD1-CB 3.48Å; D32-Y42 WeakPolarHBondContact OD2-CB 3.41Å; Y42-L44 HydrophobicContact CD2-CD1 4.32Å; Y42-L44 HydrophobicContact CD2-CG 4.23Å; Y42-L44 HydrophobicContact CE2-CD1 3.9Å; Y42-L44 HydrophobicContact CE2-CG 4.32Å; Y42-V56 WeakPolarHBondContact O-CA 3.26Å; Y42-W57 HydrophobicContact CD1-CB 4.47Å; Y42-W57 HydrophobicContact CD2-CB 4.28Å; Y42-W57 HydrophobicContact CE1-CB 3.9Å; Y42-W57 AromaticContact CE1-CD1 3.5Å; Y42-W57 VanDerWaalsContact CE1-CD1 3.5Å; Y42-W57 HydrophobicContact CE1-CG 4.04Å; Y42-W57 HydrophobicContact CE2-CB 3.66Å; Y42-W57 HydrophobicContact CE2-CG 4.36Å; Y42-W57 VanDerWaalsContact CZ-CB 3.45Å; Y42-W57 AromaticContact CZ-CD1 3.5Å; Y42-W57 VanDerWaalsContact CZ-CD1 3.5Å; Y42-W57 AromaticContact CZ-CG 3.69Å; Y42-W57 PolarHBondContact N-O 2.77Å; Y42-W57 PolarHBondContact O-N 2.76Å
43V87.8Confident74.8Confident0 Ų059.9 Ų59.90%037%0.365CS..EExtended strand (participates in β ladder)trans-117.9120.5178.2-1730000109.2R30 M31 F33 F41 F54 H55 V56 L82 L86R30-V43 CarbonylContact C-O 3.59Å; R30-V43 WeakPolarHBondContact CA-O 3.5Å; M31-V43 PolarHBondContact N-O 3.38Å; M31-V43 PolarHBondContact O-N 3.19Å; F33-V43 HydrophobicContact CD2-CG2 4.16Å; F33-V43 HydrophobicContact CE2-CB 4.39Å; F33-V43 HydrophobicContact CE2-CG2 3.77Å; F41-V43 HydrophobicContact CD2-CG2 4.03Å; F41-V43 HydrophobicContact CE2-CG2 3.76Å; V43-F54 HydrophobicContact CG1-CD1 4.3Å; V43-H55 CarbonylContact C-O 3.41Å; V43-H55 VanDerWaalsContact CA-O 3.29Å; V43-H55 WeakPolarHBondContact CA-O 3.15Å; V43-V56 HydrophobicContact CB-CG1 4.27Å; V43-V56 HydrophobicContact CG1-CG1 3.93Å; V43-V56 HydrophobicContact CG2-CG1 3.77Å; V43-L82 HydrophobicContact CB-CD1 4.28Å; V43-L82 HydrophobicContact CG1-CD1 3.69Å; V43-L82 HydrophobicContact CG2-CD1 4.41Å; V43-L86 HydrophobicContact CG2-CD2 4.23Å
44L86.9Confident74.4Confident67 Ų6760.7 Ų60.735%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-94.7116.1171.5-74.6160.2000108.6R30 Y42 H55R30-L44 HydrophobicContact CB-CD2 3.95Å; R30-L44 HydrophobicContact CG-CD2 4.15Å; Y42-L44 HydrophobicContact CD2-CD1 4.32Å; Y42-L44 HydrophobicContact CD2-CG 4.23Å; Y42-L44 HydrophobicContact CE2-CD1 3.9Å; Y42-L44 HydrophobicContact CE2-CG 4.32Å; L44-H55 HydrophobicContact CB-CB 3.99Å; L44-H55 HydrophobicContact CD1-CB 4.45Å; L44-H55 PolarHBondContact N-O 2.78Å; L44-H55 PolarHBondContact O-N 2.76Å
45C79.9Confident74.2Confident11 Ų1161.1 Ų61.17%0.07437%0.373CS..PPolyproline II helixtrans-84.1138.1178.7-58.40000110.3L6 R29 D47 F54L6-C45 HydrophobicContact CD1-CB 4.12Å; R29-C45 HydrophobicContact CB-CB 4.13Å; R29-C45 PolarHBondContact O-N 2.87Å; C45-D47 PolarHBondContact O-N 2.87Å; C45-F54 HydrophobicContact CB-CD1 4.18Å; C45-F54 HydrophobicContact CB-CE1 3.94Å
46P75.1Confident74.3Confident40 Ų4061.1 Ų61.126%0.2637%0.373SS..PPolyproline II helixtrans-61.6128.6-179.923.7-31.6000111.1G51 F54P46-G51 WeakPolarHBondContact CB-O 3.46Å; P46-F54 HydrophobicContact CG-CD2 4.34Å; P46-F54 HydrophobicContact CG-CE2 4.27Å; P46-F54 HydrophobicContact CG-CG 4.48Å; P46-F54 HydrophobicContact CG-CZ 4.36Å
47D67.3Low74.7Confident93 Ų9360.4 Ų60.450%0.49736%0.362SS..PPolyproline II helixtrans-80.6153.1168.9-168-101.9000109.9R29 C45 G49R29-D47 IonicContact CZ-OD2 3.59Å; R29-D47 IonicContact NE-OD2 2.82Å; R29-D47 PolarHBondContact NE-OD2 2.82Å; R29-D47 IonicContact NH2-OD2 3.58Å; C45-D47 PolarHBondContact O-N 2.87Å; D47-G49 PolarHBondContact O-N 3.47Å
48N59.2Low75.7Confident159 Ų15955.2 Ų55.285%0.8533%0.328SS*.THydrogen-bonded Turntrans-66.615.9-172.5-152.498.7000114
49G51.6Low75.9Confident67 Ų6761 Ų6169%0.69135%0.347SS*.THydrogen-bonded Turntrans-145.7-6.7-174.900000118.5D47D47-G49 PolarHBondContact O-N 3.47Å
50C45.8Very low75.7Confident130 Ų13061.8 Ų61.888%0.87835%0.353SS*.THydrogen-bonded Turntrans-149.214.1-172.7-151.10000117.5
51G55.4Low75.3Confident35 Ų3568.6 Ų68.636%0.36138%0.382SS..  trans179.7127.2171.300000109.9P46 S53P46-G51 WeakPolarHBondContact CB-O 3.46Å; G51-S53 PolarHBondContact O-N 3.36Å
52D62.6Low74.7Confident160 Ų16074.4 Ų74.486%0.85641%0.414SS*.SBendtrans-822.4-176.6-60.9-94.6000113
53S71.9Confident74.2Confident45 Ų4572.1 Ų72.132%0.31541%0.405SS..SBendtrans-132.6139.2-165.4-28.90000113.5G51G51-S53 PolarHBondContact O-N 3.36Å
54F81.3Confident74Confident19 Ų1973.8 Ų73.88%0.08341%0.414CS..  trans-64.7136.5168.9-66.3-92.9000110.8L6 V43 C45 P46 I74 K80 L82L6-F54 HydrophobicContact CD2-CE1 4.22Å; L6-F54 HydrophobicContact CD2-CZ 4.3Å; V43-F54 HydrophobicContact CG1-CD1 4.3Å; C45-F54 HydrophobicContact CB-CD1 4.18Å; C45-F54 HydrophobicContact CB-CE1 3.94Å; P46-F54 HydrophobicContact CG-CD2 4.34Å; P46-F54 HydrophobicContact CG-CE2 4.27Å; P46-F54 HydrophobicContact CG-CG 4.48Å; P46-F54 HydrophobicContact CG-CZ 4.36Å; F54-I74 HydrophobicContact CB-CG2 4.33Å; F54-K80 WeakPolarHBondContact CE2-O 3.38Å; F54-L82 HydrophobicContact CE1-CB 4.44Å
55H83.7Confident73.9Confident103 Ų10374.2 Ų74.248%0.47742%0.421SS..EExtended strand (participates in β ladder)trans-109.2133.4173.5-92.575.5000109.9V43 L44 Q71V43-H55 CarbonylContact C-O 3.41Å; V43-H55 VanDerWaalsContact CA-O 3.29Å; V43-H55 WeakPolarHBondContact CA-O 3.15Å; L44-H55 HydrophobicContact CB-CB 3.99Å; L44-H55 HydrophobicContact CD1-CB 4.45Å; L44-H55 PolarHBondContact N-O 2.78Å; L44-H55 PolarHBondContact O-N 2.76Å; H55-Q71 PolarHBondContact CD2-NE2 3.11Å; H55-Q71 VanDerWaalsContact CD2-NE2 3.27Å
56V86.5Confident74Confident0 Ų076.2 Ų76.20%043%0.428CS..EExtended strand (participates in β ladder)trans-123.3135.8175.6-59.70000109.5Y42 V43 L67 A70 Q71 V85 V89Y42-V56 WeakPolarHBondContact O-CA 3.26Å; V43-V56 HydrophobicContact CB-CG1 4.27Å; V43-V56 HydrophobicContact CG1-CG1 3.93Å; V43-V56 HydrophobicContact CG2-CG1 3.77Å; V56-L67 HydrophobicContact CB-CD2 4.19Å; V56-L67 HydrophobicContact CG2-CB 4.27Å; V56-L67 HydrophobicContact CG2-CD2 3.89Å; V56-A70 HydrophobicContact CG2-CB 4.32Å; V56-Q71 HydrophobicContact CG2-CG 3.67Å; V56-Q71 VanDerWaalsContact O-CD 3.3Å; V56-Q71 PolarHBondContact O-NE2 3.46Å; V56-V85 HydrophobicContact CG1-CG1 3.52Å; V56-V89 HydrophobicContact CG2-CG2 4.19Å
57W87.3Confident74.4Confident106 Ų10674.4 Ų74.440%0.40242%0.416SS..EExtended strand (participates in β ladder)trans-148.6156-177.6-171.6-86.5000111.3F41 Y42 L64F41-W57 CarbonylContact C-O 3.52Å; F41-W57 WeakPolarHBondContact CA-O 3.25Å; F41-W57 VanDerWaalsContact CB-O 3.26Å; F41-W57 WeakPolarHBondContact CB-O 3.31Å; Y42-W57 HydrophobicContact CD1-CB 4.47Å; Y42-W57 HydrophobicContact CD2-CB 4.28Å; Y42-W57 HydrophobicContact CE1-CB 3.9Å; Y42-W57 AromaticContact CE1-CD1 3.5Å; Y42-W57 VanDerWaalsContact CE1-CD1 3.5Å; Y42-W57 HydrophobicContact CE1-CG 4.04Å; Y42-W57 HydrophobicContact CE2-CB 3.66Å; Y42-W57 HydrophobicContact CE2-CG 4.36Å; Y42-W57 VanDerWaalsContact CZ-CB 3.45Å; Y42-W57 AromaticContact CZ-CD1 3.5Å; Y42-W57 VanDerWaalsContact CZ-CD1 3.5Å; Y42-W57 AromaticContact CZ-CG 3.69Å; Y42-W57 PolarHBondContact N-O 2.77Å; Y42-W57 PolarHBondContact O-N 2.76Å; W57-L64 HydrophobicContact CD2-CD2 3.99Å; W57-L64 HydrophobicContact CE3-CD2 4.29Å; W57-L64 HydrophobicContact CH2-CD1 4.46Å; W57-L64 HydrophobicContact CH2-CD2 3.93Å; W57-L64 HydrophobicContact CZ2-CD1 4.23Å; W57-L64 HydrophobicContact CZ2-CD2 3.57Å; W57-L64 HydrophobicContact CZ3-CD2 4.27Å
58S84.8Confident75.2Confident2 Ų275.2 Ų75.21%0.01442%0.417CS..  trans-130.9149.9178.8172.50000111S40 S60 C63 L67S40-S58 WeakPolarHBondContact O-CA 3.39Å; S40-S58 WeakPolarHBondContact O-CB 3.41Å; S40-S58 PolarHBondContact O-OG 2.73Å; S58-S60 PolarHBondContact O-N 3.27Å; S58-S60 PolarHBondContact OG-N 2.71Å; S58-C63 WeakPolarHBondContact OG-CB 3.48Å; S58-L67 VanDerWaalsContact N-CD1 3.28Å
59E80.5Confident76.4Confident154 Ų15472.5 Ų72.572%0.7240%0.402SS*.SBendtrans-71.8-19.4171.6-62.6-172.3107.100112.3S40S40-E59 PolarHBondContact OG-OE2 2.9Å
60S76.2Confident77.8Confident33 Ų3369.3 Ų69.323%0.23137%0.369CS..  trans-88.8125.5179.8-52.50000111.2S58 D62 C63 L64S58-S60 PolarHBondContact O-N 3.27Å; S58-S60 PolarHBondContact OG-N 2.71Å; S60-D62 VanDerWaalsContact C-N 3.27Å; S60-D62 PolarHBondContact O-N 2.78Å; S60-C63 WeakPolarHBondContact O-CB 3.38Å; S60-C63 PolarHBondContact O-N 2.91Å; S60-C63 VanDerWaalsContact O-N 3.09Å; S60-L64 PolarHBondContact O-N 2.76Å
61E79.1Confident79.6Confident163 Ų16365 Ų6576%0.76234%0.336SS*.THydrogen-bonded Turntrans-63.3-32.8178.4-65.9177.989.400112.5C63 L64 P65E61-C63 PolarHBondContact O-N 3.14Å; E61-L64 HydrophobicContact CB-CD1 4.43Å; E61-L64 HydrophobicContact CG-CD1 4.43Å; E61-L64 WeakPolarHBondContact O-CB 3.29Å; E61-L64 PolarHBondContact O-N 3.26Å; E61-P65 WeakPolarHBondContact O-CD 3.43Å
62D77.6Confident81Confident124 Ų12468.5 Ų68.566%0.66335%0.347SS*.THydrogen-bonded Turntrans-64.6-24.5175.8-61.7-86.4000113.2S60 P65 F66S60-D62 VanDerWaalsContact C-N 3.27Å; S60-D62 PolarHBondContact O-N 2.78Å; D62-P65 WeakPolarHBondContact O-CD 3.4Å; D62-F66 WeakPolarHBondContact O-CD2 3.43Å; D62-F66 VanDerWaalsContact O-CE2 3.24Å; D62-F66 WeakPolarHBondContact O-CE2 3.27Å
63C78.6Confident81.9Confident4 Ų465.3 Ų65.33%0.02732%0.323CS..THydrogen-bonded Turntrans-89.2-23.1-177.1-65.70000112.5S58 S60 E61 F66 L67 F93S58-C63 WeakPolarHBondContact OG-CB 3.48Å; S60-C63 WeakPolarHBondContact O-CB 3.38Å; S60-C63 PolarHBondContact O-N 2.91Å; S60-C63 VanDerWaalsContact O-N 3.09Å; E61-C63 PolarHBondContact O-N 3.14Å; C63-F66 PolarHBondContact O-N 3.11Å; C63-L67 WeakPolarHBondContact O-CG 3.11Å; C63-L67 PolarHBondContact O-N 3.44Å; C63-F93 HydrophobicContact CB-CE1 3.55Å; C63-F93 HydrophobicContact CB-CZ 3.68Å; C63-F93 WeakPolarHBondContact SG-CE1 3.46Å
64L83.3Confident82.3Confident34 Ų3463.5 Ų63.518%0.17831%0.31CS..Hα-helixtrans-53.4-46.6179.4-60.6179.9000114.4W57 S60 E61 F66 L67 Q68W57-L64 HydrophobicContact CD2-CD2 3.99Å; W57-L64 HydrophobicContact CE3-CD2 4.29Å; W57-L64 HydrophobicContact CH2-CD1 4.46Å; W57-L64 HydrophobicContact CH2-CD2 3.93Å; W57-L64 HydrophobicContact CZ2-CD1 4.23Å; W57-L64 HydrophobicContact CZ2-CD2 3.57Å; W57-L64 HydrophobicContact CZ3-CD2 4.27Å; S60-L64 PolarHBondContact O-N 2.76Å; E61-L64 HydrophobicContact CB-CD1 4.43Å; E61-L64 HydrophobicContact CG-CD1 4.43Å; E61-L64 WeakPolarHBondContact O-CB 3.29Å; E61-L64 PolarHBondContact O-N 3.26Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 2.96Å; L64-L67 PolarHBondContact O-N 2.9Å; L64-Q68 WeakPolarHBondContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.15Å; L64-Q68 PolarHBondContact O-N 2.95Å
65P84.7Confident82.1Confident76 Ų7666.8 Ų66.849%0.49434%0.335SS..Hα-helixtrans-62.7-36.2179.921.9-32.8000112.9E61 D62 L69E61-P65 WeakPolarHBondContact O-CD 3.43Å; D62-P65 WeakPolarHBondContact O-CD 3.4Å; P65-L69 PolarHBondContact O-N 2.95Å
66F82.1Confident81.7Confident54 Ų5466.8 Ų66.824%0.23735%0.347CS..Hα-helixtrans-70.2-39178.1-60.8-78.7000112D62 C63 L64 A70 S92 F93 P95 L96D62-F66 WeakPolarHBondContact O-CD2 3.43Å; D62-F66 VanDerWaalsContact O-CE2 3.24Å; D62-F66 WeakPolarHBondContact O-CE2 3.27Å; C63-F66 PolarHBondContact O-N 3.11Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 2.96Å; F66-A70 PolarHBondContact O-N 3.28Å; F66-S92 WeakPolarHBondContact CD1-O 3.42Å; F66-S92 WeakPolarHBondContact CE1-O 3.47Å; F66-F93 HydrophobicContact CB-CE1 4.23Å; F66-F93 HydrophobicContact CB-CZ 4.49Å; F66-F93 HydrophobicContact CD2-CE1 4.48Å; F66-P95 HydrophobicContact CE1-CG 4.18Å; F66-L96 HydrophobicContact CD2-CD1 3.44Å; F66-L96 VanDerWaalsContact CD2-CD1 3.44Å; F66-L96 HydrophobicContact CD2-CG 4.28Å; F66-L96 HydrophobicContact CE1-CG 4.46Å; F66-L96 HydrophobicContact CE2-CD1 3.2Å; F66-L96 HydrophobicContact CE2-CD2 3.93Å; F66-L96 HydrophobicContact CE2-CG 3.62Å; F66-L96 HydrophobicContact CG-CD1 4.23Å; F66-L96 HydrophobicContact CZ-CD1 3.8Å; F66-L96 HydrophobicContact CZ-CD2 4.06Å; F66-L96 HydrophobicContact CZ-CG 3.7Å
67L84Confident80.4Confident2 Ų269.3 Ų69.31%0.0136%0.364CS..Hα-helixtrans-71.2-38.9176.2-68.6177.4000112.4F41 V56 S58 C63 L64 L69 A70 Q71 V89 F93F41-L67 HydrophobicContact CB-CD1 4.21Å; V56-L67 HydrophobicContact CB-CD2 4.19Å; V56-L67 HydrophobicContact CG2-CB 4.27Å; V56-L67 HydrophobicContact CG2-CD2 3.89Å; S58-L67 VanDerWaalsContact N-CD1 3.28Å; C63-L67 WeakPolarHBondContact O-CG 3.11Å; C63-L67 PolarHBondContact O-N 3.44Å; L64-L67 PolarHBondContact O-N 2.9Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L67-A70 CarbonylContact O-C 3.54Å; L67-A70 WeakPolarHBondContact O-CA 3.34Å; L67-A70 WeakPolarHBondContact O-CB 3.16Å; L67-A70 PolarHBondContact O-N 2.99Å; L67-Q71 WeakPolarHBondContact O-CG 3.48Å; L67-Q71 PolarHBondContact O-N 3.36Å; L67-V89 HydrophobicContact CD2-CB 4.39Å; L67-V89 HydrophobicContact CD2-CG1 3.57Å; L67-V89 HydrophobicContact CD2-CG2 3.89Å; L67-F93 HydrophobicContact CD1-CZ 4.45Å; L67-F93 HydrophobicContact CD2-CE2 3.89Å; L67-F93 HydrophobicContact CD2-CZ 4.05Å; L67-F93 HydrophobicContact CG-CE2 4.35Å; L67-F93 HydrophobicContact CG-CZ 4Å
68Q84Confident78.9Confident110 Ų11067.6 Ų67.651%0.51438%0.379SS..Hα-helixtrans-58.8-40.5174.4-79.2-178.140.700111.7L64 A70 Q71 D72L64-Q68 WeakPolarHBondContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.15Å; L64-Q68 PolarHBondContact O-N 2.95Å; Q68-A70 VanDerWaalsContact C-N 3.31Å; Q68-A70 PolarHBondContact O-N 3.47Å; Q68-Q71 PolarHBondContact O-N 3.36Å; Q68-D72 PolarHBondContact O-N 3.1Å
69L83.1Confident77.8Confident101 Ų10176.8 Ų76.853%0.52942%0.419SS..Hα-helixtrans-63.4-38.3175.2-173.266.5000112P65 L67 Y73P65-L69 PolarHBondContact O-N 2.95Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L69-Y73 WeakPolarHBondContact O-CB 3.48Å; L69-Y73 PolarHBondContact O-N 3.2Å; L69-Y73 VanDerWaalsContact O-N 3.15Å
70A81.7Confident77.3Confident1 Ų169.9 Ų69.91%0.00839%0.386CS..Hα-helixtrans-67.3-40.9174.300000111.5V56 F66 L67 Q68 Y73 I74 K88 V89V56-A70 HydrophobicContact CG2-CB 4.32Å; F66-A70 PolarHBondContact O-N 3.28Å; L67-A70 CarbonylContact O-C 3.54Å; L67-A70 WeakPolarHBondContact O-CA 3.34Å; L67-A70 WeakPolarHBondContact O-CB 3.16Å; L67-A70 PolarHBondContact O-N 2.99Å; Q68-A70 VanDerWaalsContact C-N 3.31Å; Q68-A70 PolarHBondContact O-N 3.47Å; A70-Y73 PolarHBondContact O-N 2.81Å; A70-I74 VanDerWaalsContact O-CD1 3.3Å; A70-I74 WeakPolarHBondContact O-CD1 3.45Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.96Å; A70-K88 HydrophobicContact CB-CG 4.36Å; A70-V89 HydrophobicContact CB-CG2 3.57Å
71Q82.8Confident77.6Confident38 Ų3871.4 Ų71.418%0.17839%0.394CS..Hα-helixtrans-62.8-44.7175.6-71.9-177.7-5600112.5H55 V56 L67 Q68 Y73 I74 S75H55-Q71 PolarHBondContact CD2-NE2 3.11Å; H55-Q71 VanDerWaalsContact CD2-NE2 3.27Å; V56-Q71 HydrophobicContact CG2-CG 3.67Å; V56-Q71 VanDerWaalsContact O-CD 3.3Å; V56-Q71 PolarHBondContact O-NE2 3.46Å; L67-Q71 WeakPolarHBondContact O-CG 3.48Å; L67-Q71 PolarHBondContact O-N 3.36Å; Q68-Q71 PolarHBondContact O-N 3.36Å; Q71-Y73 VanDerWaalsContact C-N 3.3Å; Q71-Y73 PolarHBondContact O-N 2.91Å; Q71-I74 PolarHBondContact O-N 3.11Å; Q71-S75 WeakPolarHBondContact O-CB 3.5Å; Q71-S75 PolarHBondContact O-N 3.01Å
72D85.9Confident77.8Confident109 Ų10963.7 Ų63.758%0.58336%0.358SS*.Hα-helixtrans-58.7-44.2175.5-178.7-98.7000111Q68 I74 S75 S76Q68-D72 PolarHBondContact O-N 3.1Å; D72-I74 PolarHBondContact O-N 3.34Å; D72-S75 WeakPolarHBondContact O-CB 3.37Å; D72-S75 PolarHBondContact O-N 3.05Å; D72-S76 WeakPolarHBondContact O-CB 3.44Å; D72-S76 PolarHBondContact O-N 2.96Å
73Y81.6Confident78.1Confident94 Ų9461.2 Ų61.237%0.36934%0.342SS..Hα-helixtrans-64.5-38.4176.9-179.1-124000113.3L69 A70 Q71 S76 C77 K80 K88L69-Y73 WeakPolarHBondContact O-CB 3.48Å; L69-Y73 PolarHBondContact O-N 3.2Å; L69-Y73 VanDerWaalsContact O-N 3.15Å; A70-Y73 PolarHBondContact O-N 2.81Å; Q71-Y73 VanDerWaalsContact C-N 3.3Å; Q71-Y73 PolarHBondContact O-N 2.91Å; Y73-S76 PolarHBondContact O-N 3.32Å; Y73-C77 WeakPolarHBondContact O-CB 3.07Å; Y73-C77 PolarHBondContact O-N 3.45Å; Y73-C77 VanDerWaalsContact O-N 3.12Å; Y73-K80 HydrophobicContact CD1-CD 3.94Å; Y73-K80 HydrophobicContact CE1-CD 3.87Å; Y73-K88 HydrophobicContact CD1-CB 4.49Å; Y73-K88 HydrophobicContact CD1-CD 4.18Å; Y73-K88 HydrophobicContact CD1-CG 3.92Å; Y73-K88 HydrophobicContact CE1-CD 4.41Å; Y73-K88 HydrophobicContact CE1-CG 4.47Å
74I79.4Confident78.4Confident7 Ų765.1 Ų65.14%0.03636%0.36CS..Hα-helixtrans-66-43.4173.9-65.1158.2000110.7F54 A70 Q71 D72 S76 C77 K80 V85F54-I74 HydrophobicContact CB-CG2 4.33Å; A70-I74 VanDerWaalsContact O-CD1 3.3Å; A70-I74 WeakPolarHBondContact O-CD1 3.45Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.96Å; Q71-I74 PolarHBondContact O-N 3.11Å; D72-I74 PolarHBondContact O-N 3.34Å; I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 3.22Å; I74-C77 CarbonylContact O-C 3.59Å; I74-C77 PolarHBondContact O-N 3.35Å; I74-K80 HydrophobicContact CB-CD 4.43Å; I74-K80 HydrophobicContact CG1-CD 4.01Å; I74-V85 HydrophobicContact CD1-CB 4.09Å; I74-V85 HydrophobicContact CD1-CG1 3.53Å; I74-V85 HydrophobicContact CD1-CG2 3.47Å; I74-V85 VanDerWaalsContact CD1-CG2 3.47Å; I74-V85 HydrophobicContact CG1-CG1 4.49Å; I74-V85 HydrophobicContact CG1-CG2 3.59Å
75S77.6Confident78.4Confident88 Ų8863.5 Ų63.562%0.61535%0.352SS*.Hα-helixtrans-63.3-36.1178.4-165.50000111.7Q71 D72Q71-S75 WeakPolarHBondContact O-CB 3.5Å; Q71-S75 PolarHBondContact O-N 3.01Å; D72-S75 WeakPolarHBondContact O-CB 3.37Å; D72-S75 PolarHBondContact O-N 3.05Å
76S75.8Confident78.5Confident103 Ų10359.9 Ų59.972%0.7233%0.329SS*.Hα-helixtrans-76.2-23.3178.4-156.40000113.3D72 Y73 I74D72-S76 WeakPolarHBondContact O-CB 3.44Å; D72-S76 PolarHBondContact O-N 2.96Å; Y73-S76 PolarHBondContact O-N 3.32Å; I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 3.22Å
77C58.1Low78.6Confident53 Ų5362.3 Ų62.336%0.35834%0.34SS..SBendtrans-116.592.7-178.6-162.50000110.3Y73 I74 K79 K80Y73-C77 WeakPolarHBondContact O-CB 3.07Å; Y73-C77 PolarHBondContact O-N 3.45Å; Y73-C77 VanDerWaalsContact O-N 3.12Å; I74-C77 CarbonylContact O-C 3.59Å; I74-C77 PolarHBondContact O-N 3.35Å; C77-K79 PolarHBondContact O-N 3.35Å; C77-K80 HydrophobicContact CB-CD 3.93Å; C77-K80 HydrophobicContact CB-CG 3.82Å
78G56.4Low78.7Confident69 Ų6965.8 Ų65.871%0.71136%0.356SS*.SBendtrans-62.36.4-168.500000118.3
79K61.2Low78.6Confident195 Ų19560.5 Ų60.585%0.84833%0.331SS*.  trans-151.276.9174.2-62.7-176.7-173.9169.50111.3C77C77-K79 PolarHBondContact O-N 3.35Å
80K71.1Confident78.6Confident9 Ų957 Ų574%0.03931%0.312CS..  trans-98.7145.8171.1-60.7-161.775.6-1410111F54 Y73 I74 C77 E84 V85F54-K80 WeakPolarHBondContact CE2-O 3.38Å; Y73-K80 HydrophobicContact CD1-CD 3.94Å; Y73-K80 HydrophobicContact CE1-CD 3.87Å; I74-K80 HydrophobicContact CB-CD 4.43Å; I74-K80 HydrophobicContact CG1-CD 4.01Å; C77-K80 HydrophobicContact CB-CD 3.93Å; C77-K80 HydrophobicContact CB-CG 3.82Å; K80-E84 PolarHBondContact NZ-O 3.24Å; K80-V85 HydrophobicContact CB-CG2 4.17Å
81T81.7Confident78.6Confident65 Ų6562.4 Ų62.440%0.39934%0.335SS..  trans-85155.6171.262.30000110.1H83 E84 V85T81-H83 PolarHBondContact O-N 3.12Å; T81-E84 PolarHBondContact O-N 3.48Å; T81-E84 VanDerWaalsContact O-N 3.1Å; T81-E84 PolarHBondContact OG1-N 3.41Å; T81-V85 WeakPolarHBondContact O-CG2 3.18Å; T81-V85 PolarHBondContact O-N 2.92Å; T81-V85 VanDerWaalsContact O-N 3.13Å
82L82.3Confident78.6Confident2 Ų261.2 Ų61.21%0.0133%0.331CS..Hα-helixtrans-52.7-40.7175.5177.864.6000111.7L6 A10 M31 V43 F54 E84 V85 L86L6-L82 HydrophobicContact CB-CD2 3.93Å; L6-L82 HydrophobicContact CD2-CB 3.68Å; L6-L82 HydrophobicContact CD2-CD2 4.06Å; L6-L82 VanDerWaalsContact O-CD2 3.27Å; L6-L82 WeakPolarHBondContact O-CD2 3.47Å; A10-L82 HydrophobicContact CB-CD2 4.16Å; M31-L82 HydrophobicContact SD-CD2 3.88Å; V43-L82 HydrophobicContact CB-CD1 4.28Å; V43-L82 HydrophobicContact CG1-CD1 3.69Å; V43-L82 HydrophobicContact CG2-CD1 4.41Å; F54-L82 HydrophobicContact CE1-CB 4.44Å; L82-E84 PolarHBondContact O-N 2.87Å; L82-V85 WeakPolarHBondContact O-CB 3.33Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-V85 VanDerWaalsContact O-N 3.15Å; L82-L86 HydrophobicContact CD1-CD1 4.2Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.24Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.29Å; L82-L86 PolarHBondContact O-N 2.75Å
83H83.9Confident78.1Confident71 Ų7156 Ų5633%0.32930%0.303SS..Hα-helixtrans-55.9-51.1176.1-172.8-100.9000112.5V9 T81 V85 L86 E87V9-H83 HydrophobicContact CG1-CB 3.76Å; T81-H83 PolarHBondContact O-N 3.12Å; H83-V85 PolarHBondContact O-N 3.24Å; H83-L86 PolarHBondContact O-N 2.56Å; H83-E87 IonicContact CE1-OE2 3.08Å; H83-E87 PolarHBondContact CE1-OE2 3.38Å; H83-E87 IonicContact ND1-OE2 3.4Å; H83-E87 PolarHBondContact ND1-OE2 3.16Å; H83-E87 WeakPolarHBondContact O-CG 3.28Å; H83-E87 PolarHBondContact O-N 2.83Å
84E85.5Confident77.8Confident86 Ų8654.7 Ų54.740%0.40230%0.297SS..Hα-helixtrans-66.4-24.9179.3-72.8-160.4104.900113.7K80 T81 L82 K88K80-E84 PolarHBondContact NZ-O 3.24Å; T81-E84 PolarHBondContact O-N 3.48Å; T81-E84 VanDerWaalsContact O-N 3.1Å; T81-E84 PolarHBondContact OG1-N 3.41Å; L82-E84 PolarHBondContact O-N 2.87Å; E84-K88 WeakPolarHBondContact O-CB 3.26Å; E84-K88 PolarHBondContact O-N 3.49Å
85V84.1Confident77.6Confident1 Ų158.6 Ų58.61%0.00632%0.323CS..Hα-helixtrans-70.6-53.1171.61720000109.6V56 I74 K80 T81 L82 H83 E87 K88 V89V56-V85 HydrophobicContact CG1-CG1 3.52Å; I74-V85 HydrophobicContact CD1-CB 4.09Å; I74-V85 HydrophobicContact CD1-CG1 3.53Å; I74-V85 HydrophobicContact CD1-CG2 3.47Å; I74-V85 VanDerWaalsContact CD1-CG2 3.47Å; I74-V85 HydrophobicContact CG1-CG1 4.49Å; I74-V85 HydrophobicContact CG1-CG2 3.59Å; K80-V85 HydrophobicContact CB-CG2 4.17Å; T81-V85 WeakPolarHBondContact O-CG2 3.18Å; T81-V85 PolarHBondContact O-N 2.92Å; T81-V85 VanDerWaalsContact O-N 3.13Å; L82-V85 WeakPolarHBondContact O-CB 3.33Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-V85 VanDerWaalsContact O-N 3.15Å; H83-V85 PolarHBondContact O-N 3.24Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.14Å; V85-K88 PolarHBondContact O-N 3.13Å; V85-K88 VanDerWaalsContact O-N 3.1Å; V85-V89 HydrophobicContact CG1-CG2 4.28Å; V85-V89 WeakPolarHBondContact O-CB 3.32Å; V85-V89 VanDerWaalsContact O-CG2 3.27Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 2.95Å
86L85.4Confident77.1Confident0 Ų058.2 Ų58.20%031%0.314CS..Hα-helixtrans-58.2-42.9179.6-68.2171.8000111.8W13 F33 F41 V43 L82 H83 K88 V89 F90W13-L86 HydrophobicContact CB-CD1 4.19Å; W13-L86 HydrophobicContact CD2-CB 3.8Å; W13-L86 HydrophobicContact CD2-CD1 3.86Å; W13-L86 HydrophobicContact CD2-CG 4.29Å; W13-L86 HydrophobicContact CE3-CB 4.29Å; W13-L86 HydrophobicContact CE3-CD1 3.87Å; W13-L86 HydrophobicContact CE3-CD2 4.23Å; W13-L86 HydrophobicContact CE3-CG 4.36Å; W13-L86 HydrophobicContact CG-CB 4.12Å; W13-L86 HydrophobicContact CG-CD1 3.99Å; W13-L86 HydrophobicContact CH2-CB 4.44Å; W13-L86 HydrophobicContact CH2-CD2 4.3Å; W13-L86 HydrophobicContact CZ2-CB 3.99Å; W13-L86 HydrophobicContact CZ3-CD2 4.07Å; F33-L86 HydrophobicContact CD2-CD2 4.44Å; F33-L86 HydrophobicContact CE1-CD2 4.45Å; F33-L86 HydrophobicContact CE2-CD2 4.02Å; F33-L86 HydrophobicContact CZ-CD1 4.27Å; F33-L86 HydrophobicContact CZ-CD2 4.02Å; F41-L86 HydrophobicContact CE2-CD2 3.65Å; F41-L86 HydrophobicContact CZ-CD2 3.69Å; V43-L86 HydrophobicContact CG2-CD2 4.23Å; L82-L86 HydrophobicContact CD1-CD1 4.2Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.24Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.29Å; L82-L86 PolarHBondContact O-N 2.75Å; H83-L86 PolarHBondContact O-N 2.56Å; L86-K88 PolarHBondContact O-N 2.93Å; L86-V89 PolarHBondContact O-N 3.47Å; L86-F90 VanDerWaalsContact O-CB 3.31Å; L86-F90 WeakPolarHBondContact O-CB 3.38Å; L86-F90 PolarHBondContact O-N 3.31Å
87E85.6Confident76.8Confident104 Ų10455.4 Ų55.449%0.48629%0.29SS..Hα-helixtrans-64.5-37.9175.9-71.9-153.398.700113H83 V85 F90 K91H83-E87 IonicContact CE1-OE2 3.08Å; H83-E87 PolarHBondContact CE1-OE2 3.38Å; H83-E87 IonicContact ND1-OE2 3.4Å; H83-E87 PolarHBondContact ND1-OE2 3.16Å; H83-E87 WeakPolarHBondContact O-CG 3.28Å; H83-E87 PolarHBondContact O-N 2.83Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.14Å; E87-F90 PolarHBondContact O-N 3.47Å; E87-K91 WeakPolarHBondContact O-CB 3.49Å; E87-K91 PolarHBondContact O-N 3.17Å
88K85.1Confident77Confident75 Ų7556 Ų5633%0.32631%0.305SS..Hα-helixtrans-67.3-44.6177.1-171.264.9173.5177.20110.8A70 Y73 E84 V85 L86 F90 K91 S92A70-K88 HydrophobicContact CB-CG 4.36Å; Y73-K88 HydrophobicContact CD1-CB 4.49Å; Y73-K88 HydrophobicContact CD1-CD 4.18Å; Y73-K88 HydrophobicContact CD1-CG 3.92Å; Y73-K88 HydrophobicContact CE1-CD 4.41Å; Y73-K88 HydrophobicContact CE1-CG 4.47Å; E84-K88 WeakPolarHBondContact O-CB 3.26Å; E84-K88 PolarHBondContact O-N 3.49Å; V85-K88 PolarHBondContact O-N 3.13Å; V85-K88 VanDerWaalsContact O-N 3.1Å; L86-K88 PolarHBondContact O-N 2.93Å; K88-F90 VanDerWaalsContact C-N 3.35Å; K88-K91 PolarHBondContact O-N 3.27Å; K88-S92 PolarHBondContact O-N 3.33Å; K88-S92 PolarHBondContact O-OG 2.96Å; K88-S92 VanDerWaalsContact O-OG 3.11Å
89V83.2Confident77Confident0 Ų056.6 Ų56.60%029%0.292CS..Hα-helixtrans-58.3-48.5175.3170.60000109.9F41 V56 L67 A70 V85 L86 K91 S92 F93F41-V89 HydrophobicContact CD1-CG1 4.48Å; F41-V89 HydrophobicContact CE1-CG1 4.21Å; F41-V89 HydrophobicContact CE2-CG1 4.36Å; F41-V89 HydrophobicContact CZ-CG1 4.16Å; V56-V89 HydrophobicContact CG2-CG2 4.19Å; L67-V89 HydrophobicContact CD2-CB 4.39Å; L67-V89 HydrophobicContact CD2-CG1 3.57Å; L67-V89 HydrophobicContact CD2-CG2 3.89Å; A70-V89 HydrophobicContact CB-CG2 3.57Å; V85-V89 HydrophobicContact CG1-CG2 4.28Å; V85-V89 WeakPolarHBondContact O-CB 3.32Å; V85-V89 VanDerWaalsContact O-CG2 3.27Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 2.95Å; L86-V89 PolarHBondContact O-N 3.47Å; V89-K91 PolarHBondContact O-N 2.92Å; V89-S92 WeakPolarHBondContact O-CB 3Å; V89-S92 PolarHBondContact O-N 3.05Å; V89-F93 HydrophobicContact CG1-CD2 3.48Å; V89-F93 VanDerWaalsContact CG1-CD2 3.48Å; V89-F93 HydrophobicContact CG1-CE2 3.24Å; V89-F93 HydrophobicContact CG1-CZ 4.46Å; V89-F93 WeakPolarHBondContact O-CD2 3.35Å; V89-F93 PolarHBondContact O-N 3.29Å
90F82.4Confident76.6Confident28 Ų2852.5 Ų52.512%0.12329%0.285CS..Hα-helixtrans-56.7-48.7175.1-173.2-110000113.1W13 T17 P18 F19 L86 E87 K88 S92 F93 R94 L97W13-F90 HydrophobicContact CZ2-CB 4.04Å; W13-F90 HydrophobicContact CZ2-CD2 4.31Å; W13-F90 HydrophobicContact CZ2-CG 4.43Å; T17-F90 HydrophobicContact CG2-CD2 4.08Å; T17-F90 HydrophobicContact CG2-CE2 4.16Å; T17-F90 HydrophobicContact CG2-CG 4.36Å; T17-F90 HydrophobicContact CG2-CZ 4.45Å; P18-F90 HydrophobicContact CG-CE2 4.27Å; F19-F90 AromaticContact CD2-CD2 3.98Å; F19-F90 HydrophobicContact CD2-CD2 3.98Å; F19-F90 HydrophobicContact CD2-CE2 4.28Å; F19-F90 AromaticContact CE2-CD2 3.63Å; F19-F90 HydrophobicContact CE2-CD2 3.63Å; F19-F90 AromaticContact CE2-CE2 3.99Å; F19-F90 HydrophobicContact CE2-CE2 3.99Å; L86-F90 VanDerWaalsContact O-CB 3.31Å; L86-F90 WeakPolarHBondContact O-CB 3.38Å; L86-F90 PolarHBondContact O-N 3.31Å; E87-F90 PolarHBondContact O-N 3.47Å; K88-F90 VanDerWaalsContact C-N 3.35Å; F90-S92 VanDerWaalsContact C-N 3.26Å; F90-S92 PolarHBondContact O-N 2.84Å; F90-F93 CarbonylContact O-C 3.59Å; F90-F93 WeakPolarHBondContact O-CA 3.35Å; F90-F93 PolarHBondContact O-N 3.07Å; F90-R94 HydrophobicContact CD1-CG 4.49Å; F90-R94 HydrophobicContact CE1-CG 4.27Å; F90-R94 PolarHBondContact O-N 3.37Å; F90-L97 HydrophobicContact CE2-CD1 4.14Å
91K82.5Confident75.7Confident114 Ų11455.6 Ų55.650%0.49630%0.302SS..Hα-helixtrans-61.3-37.8179.6-169.6166.2-176.8165.50111.4E87 K88 V89 F93 R94E87-K91 WeakPolarHBondContact O-CB 3.49Å; E87-K91 PolarHBondContact O-N 3.17Å; K88-K91 PolarHBondContact O-N 3.27Å; V89-K91 PolarHBondContact O-N 2.92Å; K91-F93 VanDerWaalsContact C-N 3.33Å; K91-R94 PolarHBondContact O-N 3.44Å
92S81.6Confident74.4Confident13 Ų1356.2 Ų56.29%0.09131%0.314CS..Hα-helixtrans-66.8-33.4173-610000112.5F66 K88 V89 F90 P95F66-S92 WeakPolarHBondContact CD1-O 3.42Å; F66-S92 WeakPolarHBondContact CE1-O 3.47Å; K88-S92 PolarHBondContact O-N 3.33Å; K88-S92 PolarHBondContact O-OG 2.96Å; K88-S92 VanDerWaalsContact O-OG 3.11Å; V89-S92 WeakPolarHBondContact O-CB 3Å; V89-S92 PolarHBondContact O-N 3.05Å; F90-S92 VanDerWaalsContact C-N 3.26Å; F90-S92 PolarHBondContact O-N 2.84Å; S92-P95 VanDerWaalsContact O-CD 3.29Å; S92-P95 WeakPolarHBondContact O-CD 3.22Å; S92-P95 VanDerWaalsContact O-CG 3.28Å; S92-P95 WeakPolarHBondContact O-CG 3.24Å
93F76.2Confident73Confident0 Ų062.2 Ų62.20%035%0.346CS..Hα-helixtrans-79.5-17.5176.9-77-59.9000114.9F19 V39 F41 C63 F66 L67 V89 F90 K91 L96 L97F19-F93 HydrophobicContact CZ-CD2 4.25Å; V39-F93 HydrophobicContact CG1-CD1 4.2Å; V39-F93 HydrophobicContact CG1-CE1 3.97Å; V39-F93 HydrophobicContact CG1-CE2 4.41Å; V39-F93 HydrophobicContact CG1-CZ 4.09Å; F41-F93 HydrophobicContact CD1-CE2 4.34Å; C63-F93 HydrophobicContact CB-CE1 3.55Å; C63-F93 HydrophobicContact CB-CZ 3.68Å; C63-F93 WeakPolarHBondContact SG-CE1 3.46Å; F66-F93 HydrophobicContact CB-CE1 4.23Å; F66-F93 HydrophobicContact CB-CZ 4.49Å; F66-F93 HydrophobicContact CD2-CE1 4.48Å; L67-F93 HydrophobicContact CD1-CZ 4.45Å; L67-F93 HydrophobicContact CD2-CE2 3.89Å; L67-F93 HydrophobicContact CD2-CZ 4.05Å; L67-F93 HydrophobicContact CG-CE2 4.35Å; L67-F93 HydrophobicContact CG-CZ 4Å; V89-F93 HydrophobicContact CG1-CD2 3.48Å; V89-F93 VanDerWaalsContact CG1-CD2 3.48Å; V89-F93 HydrophobicContact CG1-CE2 3.24Å; V89-F93 HydrophobicContact CG1-CZ 4.46Å; V89-F93 WeakPolarHBondContact O-CD2 3.35Å; V89-F93 PolarHBondContact O-N 3.29Å; F90-F93 CarbonylContact O-C 3.59Å; F90-F93 WeakPolarHBondContact O-CA 3.35Å; F90-F93 PolarHBondContact O-N 3.07Å; K91-F93 VanDerWaalsContact C-N 3.33Å; F93-L96 HydrophobicContact CD1-CD1 3.57Å; F93-L96 HydrophobicContact CE1-CD1 3.88Å; F93-L96 WeakPolarHBondContact O-CA 3.48Å; F93-L96 WeakPolarHBondContact O-CB 3.42Å; F93-L96 PolarHBondContact O-N 2.97Å; F93-L97 HydrophobicContact CB-CD1 4.44Å; F93-L97 WeakPolarHBondContact O-CG 3.35Å; F93-L97 PolarHBondContact O-N 3.28Å
94R75.5Confident71.5Confident65 Ų6565.1 Ų65.125%0.24536%0.364CS..THydrogen-bonded Turntrans-48.7-48.7176.5-71.7-176.1102.2114-0.9114.6F90 K91 L96 L97 G98 L99F90-R94 HydrophobicContact CD1-CG 4.49Å; F90-R94 HydrophobicContact CE1-CG 4.27Å; F90-R94 PolarHBondContact O-N 3.37Å; K91-R94 PolarHBondContact O-N 3.44Å; R94-L96 VanDerWaalsContact C-N 3.25Å; R94-L96 PolarHBondContact O-N 3.15Å; R94-L97 PolarHBondContact O-N 2.86Å; R94-L97 VanDerWaalsContact O-N 3.13Å; R94-G98 PolarHBondContact O-N 3.42Å; R94-G98 VanDerWaalsContact O-N 3.16Å; R94-L99 PolarHBondContact O-N 3.44Å
95P73.5Confident69.9Low90 Ų9069 Ų6958%0.58439%0.388SS*.THydrogen-bonded Turntrans-61.5-31.7176.620.8-33.3000113.2F66 S92 G98F66-P95 HydrophobicContact CE1-CG 4.18Å; S92-P95 VanDerWaalsContact O-CD 3.29Å; S92-P95 WeakPolarHBondContact O-CD 3.22Å; S92-P95 VanDerWaalsContact O-CG 3.28Å; S92-P95 WeakPolarHBondContact O-CG 3.24Å; P95-G98 PolarHBondContact O-N 2.84Å
96L68.8Low68.7Low80 Ų8073 Ų7342%0.41942%0.421SS..THydrogen-bonded Turntrans-73.5-34.1174.6-72.9174.9000112.5F66 F93 R94 G98F66-L96 HydrophobicContact CD2-CD1 3.44Å; F66-L96 VanDerWaalsContact CD2-CD1 3.44Å; F66-L96 HydrophobicContact CD2-CG 4.28Å; F66-L96 HydrophobicContact CE1-CG 4.46Å; F66-L96 HydrophobicContact CE2-CD1 3.2Å; F66-L96 HydrophobicContact CE2-CD2 3.93Å; F66-L96 HydrophobicContact CE2-CG 3.62Å; F66-L96 HydrophobicContact CG-CD1 4.23Å; F66-L96 HydrophobicContact CZ-CD1 3.8Å; F66-L96 HydrophobicContact CZ-CD2 4.06Å; F66-L96 HydrophobicContact CZ-CG 3.7Å; F93-L96 HydrophobicContact CD1-CD1 3.57Å; F93-L96 HydrophobicContact CE1-CD1 3.88Å; F93-L96 WeakPolarHBondContact O-CA 3.48Å; F93-L96 WeakPolarHBondContact O-CB 3.42Å; F93-L96 PolarHBondContact O-N 2.97Å; R94-L96 VanDerWaalsContact C-N 3.25Å; R94-L96 PolarHBondContact O-N 3.15Å; L96-G98 PolarHBondContact O-N 3.23Å
97L68.5Low66.6Low43 Ų4381.1 Ų81.123%0.22546%0.456CS..THydrogen-bonded Turntrans-77.5-4.1177-66.3171.5000112.9P18 F19 F90 F93 R94 L99P18-L97 HydrophobicContact CG-CD1 4.44Å; F19-L97 HydrophobicContact CE2-CD1 4.37Å; F90-L97 HydrophobicContact CE2-CD1 4.14Å; F93-L97 HydrophobicContact CB-CD1 4.44Å; F93-L97 WeakPolarHBondContact O-CG 3.35Å; F93-L97 PolarHBondContact O-N 3.28Å; R94-L97 PolarHBondContact O-N 2.86Å; R94-L97 VanDerWaalsContact O-N 3.13Å; L97-L99 HydrophobicContact CB-CD1 4.33Å; L97-L99 HydrophobicContact CB-CG 4.18Å; L97-L99 PolarHBondContact O-N 3.03Å; L97-L99 VanDerWaalsContact O-N 3.14Å
98G62.4Low64.9Low65 Ų6582.7 Ų82.767%0.6746%0.464SS*.THydrogen-bonded Turntrans62.619.7178.700000113.8R94 P95 L96R94-G98 PolarHBondContact O-N 3.42Å; R94-G98 VanDerWaalsContact O-N 3.16Å; P95-G98 PolarHBondContact O-N 2.84Å; L96-G98 PolarHBondContact O-N 3.23Å
99L56.6Low63.2Low82 Ų8287.4 Ų87.443%0.42949%0.487SS..PPolyproline II helixtrans-77.9135.4176.6-66.3175.6000108.9R94 L97 D101R94-L99 PolarHBondContact O-N 3.44Å; L97-L99 HydrophobicContact CB-CD1 4.33Å; L97-L99 HydrophobicContact CB-CG 4.18Å; L97-L99 PolarHBondContact O-N 3.03Å; L97-L99 VanDerWaalsContact O-N 3.14Å; L99-D101 PolarHBondContact O-N 3.49Å
100P52.8Low61.5Low110 Ų11096.8 Ų96.871%0.71452%0.524SS*.PPolyproline II helixtrans-55.1132172.523.7-32000108.6A102P100-A102 PolarHBondContact O-N 3.09Å
101D52.8Low60.2Low73 Ų7399.7 Ų99.739%0.3955%0.547SS..PPolyproline II helixtrans-61.6126.3175.1-157.4-66.3000107.1L99 D103 D104L99-D101 PolarHBondContact O-N 3.49Å; D101-D103 PolarHBondContact O-N 3.45Å; D101-D103 VanDerWaalsContact O-N 3.11Å; D101-D103 WeakPolarHBondContact OD1-CB 3.4Å; D101-D103 PolarHBondContact OD1-N 3.28Å; D101-D104 WeakPolarHBondContact O-CB 3.46Å; D101-D104 PolarHBondContact O-N 3.35Å
102A54.4Low58.5Low78 Ų7897.6 Ų97.665%0.64555%0.551SS**THydrogen-bonded Turntrans-68.4-7.5-179.300000112P100P100-A102 PolarHBondContact O-N 3.09Å
103D52.9Low57.1Low128 Ų128103.4 Ų103.468%0.68458%0.581SS**THydrogen-bonded Turntrans-89.61.5169.3-101.1-93.6000113.5D101 D105D101-D103 PolarHBondContact O-N 3.45Å; D101-D103 VanDerWaalsContact O-N 3.11Å; D101-D103 WeakPolarHBondContact OD1-CB 3.4Å; D101-D103 PolarHBondContact OD1-N 3.28Å; D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.34Å
104D51Low56.3Low133 Ų133110 Ų11071%0.71162%0.622SS**  trans-85.917.2178.4-149.6-111.6000114D101 A106D101-D104 WeakPolarHBondContact O-CB 3.46Å; D101-D104 PolarHBondContact O-N 3.35Å; D104-A106 PolarHBondContact O-N 3.21Å; D104-A106 VanDerWaalsContact O-N 3.11Å
105D52.4Low54.8Low167 Ų167114.6 Ų114.689%0.89365%0.646SS**  trans-81.930.5169.6-133-82000111.8D103D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.34Å
106A59.9Low53.5Low85 Ų85118.7 Ų118.770%0.70266%0.657SS**SBendtrans-133.666.3-178.500000112D104D104-A106 PolarHBondContact O-N 3.21Å; D104-A106 VanDerWaalsContact O-N 3.11Å
107F41.5Very low51.9Low170 Ų170123.5 Ų123.575%0.74668%0.677SS**  trans108.297.8141-159.3-101.3000117.8
108E49.9Very low50.7Low137 Ų137129.3 Ų129.364%0.6470%0.703SS**  trans55.9101.9136.4-62.6-151131.300119.4Y110E108-Y110 VanDerWaalsContact C-N 3.29Å; E108-Y110 PolarHBondContact O-N 2.85Å
109E48.2Very low49.6Very low174 Ų174131.4 Ų131.481%0.81371%0.705SS**  trans-46.791.7138.5-178.118097.300110.6S111E109-S111 WeakPolarHBondContact CG-OG 3.46Å; E109-S111 PolarHBondContact O-N 3.37Å
110Y46.7Very low49.1Very low198 Ų198136.3 Ų136.378%0.77673%0.726SS**  trans-77.567.9163-156.1-96.5000108.8E108 A112E108-Y110 VanDerWaalsContact C-N 3.29Å; E108-Y110 PolarHBondContact O-N 2.85Å; Y110-A112 HydrophobicContact CD1-CB 3.68Å; Y110-A112 HydrophobicContact CE1-CB 3.36Å; Y110-A112 PolarHBondContact O-N 3.1Å
111S56.3Low48.6Very low88 Ų88135.6 Ų135.662%0.61573%0.729SS**  trans-75.476162.4-710000108.1E109 D113E109-S111 WeakPolarHBondContact CG-OG 3.46Å; E109-S111 PolarHBondContact O-N 3.37Å; S111-D113 PolarHBondContact O-N 3.01Å; S111-D113 VanDerWaalsContact O-N 3.1Å
112A47.1Very low47.9Very low70 Ų70139.9 Ų139.958%0.57975%0.752SS**  trans-81.572.4164.200000109.2Y110Y110-A112 HydrophobicContact CD1-CB 3.68Å; Y110-A112 HydrophobicContact CE1-CB 3.36Å; Y110-A112 PolarHBondContact O-N 3.1Å
113D51.1Low47.5Very low135 Ų135144.3 Ų144.372%0.72276%0.759SS**  trans-98.596.9155.3-162.9-95.8000106.9S111S111-D113 PolarHBondContact O-N 3.01Å; S111-D113 VanDerWaalsContact O-N 3.1Å
114V59.3Low47.4Very low140 Ų140142.8 Ų142.885%0.84876%0.756SS**  trans-119.5103.7160.2171.90000105.4
115E45.5Very low47Very low161 Ų161143.8 Ų143.875%0.75276%0.757SS**  trans-39.7131.1162.6-93.7174.758.900112.5
116E44.9Very low46.3Very low175 Ų175144.4 Ų144.482%0.81876%0.756SS**  39.6115129.2-150.2175.2103.600119.7
117E35Very low45.3Very low182 Ų182143.6 Ų143.685%0.8576%0.756SS**  trans-150.3105.3139.7-168.9172.879.300109.1
118E42.9Very low45.2Very low164 Ų164141.5 Ų141.577%0.76676%0.757SS**  trans-66.5136.8160.2-66.5-170.689.800109.1
119P40.7Very low44.7Very low109 Ų109140.8 Ų140.871%0.70876%0.762SS**  -136.6127.4124.828.3-13.4000113A121P119-A121 PolarHBondContact O-N 3.4Å
120E46.4Very low44.4Very low186 Ų186139.2 Ų139.287%0.86976%0.759SS**  trans-55.2124.1160-65-179.581.200110.7
121A42.5Very low44.1Very low95 Ų95135 Ų13579%0.78575%0.749SS**  trans-162.2110.415300000112.6P119P119-A121 PolarHBondContact O-N 3.4Å
122D37.5Very low43.6Very low163 Ų163140 Ų14087%0.87275%0.754SS**  trans69.3110.5139.5-130.3-123.3000120.7
123H46.3Very low43.2Very low171 Ų171145.3 Ų145.379%0.79276%0.764SS**  trans-39147.4151.4-105.2-138.7000111.5
124P49.2Very low42.6Very low95 Ų95143.7 Ų143.762%0.61776%0.764SS**  -158.2164.455.938.8-15.7000119.2
125Q43.8Very low41.5Very low155 Ų155145.3 Ų145.372%0.72476%0.764SS**  trans77.6123.6134.3-78.3169.2-93.400124.8
126M37.2Very low41.1Very low179 Ų179143 Ų14388%0.88276%0.761SS**  97.4126.1126.6-86.2-17717800122
127G40.1Very low40.8Very low68 Ų68143.1 Ų143.170%0.70176%0.761SS**  trans11877.3145.900000115
128V38.3Very low41.1Very low126 Ų126143.8 Ų143.876%0.76477%0.765SS**  65.1119.984.3-175.40000115.6
129T39.7Very low41.2Very low123 Ų123145.3 Ų145.376%0.75577%0.769SS**  trans72.3141.1156.658.80000117.8
130L41Very low41.6Very low141 Ų141151.3 Ų151.374%0.73878%0.777SS**  cis-172.1132.841.1-148.252.9000102.5
131L40.2Very low41.4Very low109 Ų109147.3 Ų147.357%0.57177%0.77SS**  122.3144.575.1170.273.8000114.7
132R46.1Very low41.7Very low192 Ų192151.5 Ų151.573%0.72578%0.778SS**  trans86.5104.3156.5-82.5154.3-155.5-172.713.7117.4
133K39.7Very low42.1Very low182 Ų182151.5 Ų151.579%0.79177%0.772SS**  83.710586-96.7160.2148.7178.70110.9
134S39.2Very low41.8Very low101 Ų101147.7 Ų147.771%0.70676%0.764SS**  88.4129.179.8-69.10000113.8
135M35.7Very low41.6Very low175 Ų175150.8 Ų150.886%0.86278%0.775SS**  trans74.4138.1163.9-57.4174.5-172.900114.6
136T37.6Very low41.6Very low111 Ų111149.6 Ų149.668%0.68178%0.782SS**  cis-167.9143.633.1-26.20000109.9
137E38Very low41.7Very low178 Ų178147.2 Ų147.283%0.83278%0.778SS**  trans38.8122.7146.3-79.9152.962.500122.2
138E40.8Very low41.8Very low197 Ų197157.1 Ų157.192%0.92180%0.802SS**  -157127.7112.3-173.516271.100112
139K46.3Very low42Very low196 Ų196158.7 Ų158.785%0.85280%0.804SS**  trans-80.5132.9177.1-74.1162.4158.6177.70111.2
140R47.3Very low42.1Very low235 Ų235160.5 Ų160.589%0.88781%0.806SS**  trans-167.797.3131.6-127.6160.8-179.2-133.8-1.6109.3
141S42.3Very low42.2Very low102 Ų102161.6 Ų161.671%0.71381%0.81SS**  60.979.495.1-174.80000112.3
142L49.8Very low42.3Very low182 Ų182164.7 Ų164.795%0.95382%0.824SS**  trans-117.4120.7145.1-118.881.1000108.8
143H44.7Very low42.1Very low163 Ų163163 Ų16376%0.75583%0.83SS**  trans-89.4149-172.6167.7-105.8000109.9
144C40.1Very low42.2Very low92 Ų92161.7 Ų161.762%0.62283%0.833SS**  trans65.7108.1169.6-82.50000116
145L46.8Very low42.5Very low160 Ų160166.1 Ų166.184%0.83884%0.842SS**  34.5103.960.3-94.598.9000113.7
146C42.5Very low43Very low129 Ų129165.4 Ų165.487%0.87284%0.841SS**  -166.4101.2117.1-94.20000109.5
147T39.3Very low43.4Very low130 Ų130169.9 Ų169.980%0.79885%0.854SS**  trans-72.6115.3147.6-51.20000106.7
148F43.4Very low43.9Very low275 Ų275169.2 Ų169.2100%1.20686%0.856SS**  trans167.40138.4-103.2-78.6000109.7

Retrieved 148 of 148 residues in 151.7 ms (Link to these results)

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