A0A060X7F5_ONCMY Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A060X7F5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522459, Length 113 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
1M75.8Confident93.3Very high109 Ų10960.1 Ų60.154%0.53732%0.318SS..  039.60-61.1179.4-176.100112.1F3 L4 M86 F89M1-F3 HydrophobicContact CB-CE1 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.44Å; M1-F3 HydrophobicContact CG-CE1 4.38Å; M1-F3 HydrophobicContact CG-CZ 4.44Å; M1-F3 PolarHBondContact O-N 3.39Å; M1-L4 HydrophobicContact CB-CD1 3.77Å; M1-L4 HydrophobicContact CB-CG 4.16Å; M1-L4 HydrophobicContact CG-CD1 4.37Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-L4 HydrophobicContact SD-CD1 3.94Å; M1-M86 HydrophobicContact CE-CE 4.26Å; M1-M86 HydrophobicContact CE-SD 4.08Å; M1-F89 HydrophobicContact CE-CD1 4.22Å; M1-F89 HydrophobicContact CE-CE1 3.5Å; M1-F89 HydrophobicContact CE-CZ 4.33Å; M1-F89 HydrophobicContact SD-CE1 3.81Å; M1-F89 HydrophobicContact SD-CZ 4.39Å
2A88.7Confident93.6Very high73 Ų7355.8 Ų55.860%0.60330%0.297SS*.G310 helixtrans-62.4-28.3179.800000112.3L4 H5A2-L4 PolarHBondContact O-N 3.33Å; A2-L4 VanDerWaalsContact O-N 3.12Å; A2-H5 PolarHBondContact O-N 3.17Å; A2-H5 VanDerWaalsContact O-N 3.12Å
3F92.1Very high94Very high16 Ų1661.8 Ų61.87%0.0732%0.319CS..G310 helixtrans-56.4-26175.867.5-101.9000113.8M1 H5 W6 G34 L66 L67 L90M1-F3 HydrophobicContact CB-CE1 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.44Å; M1-F3 HydrophobicContact CG-CE1 4.38Å; M1-F3 HydrophobicContact CG-CZ 4.44Å; M1-F3 PolarHBondContact O-N 3.39Å; F3-H5 PolarHBondContact O-N 2.92Å; F3-H5 VanDerWaalsContact O-N 3.11Å; F3-W6 HydrophobicContact CB-CD2 3.92Å; F3-W6 HydrophobicContact CB-CE3 4.12Å; F3-W6 HydrophobicContact CB-CG 4.37Å; F3-W6 HydrophobicContact CB-CH2 4.44Å; F3-W6 HydrophobicContact CB-CZ2 4.24Å; F3-W6 HydrophobicContact CB-CZ3 4.38Å; F3-W6 VanDerWaalsContact O-CB 3.27Å; F3-W6 WeakPolarHBondContact O-CB 3.33Å; F3-W6 PolarHBondContact O-N 2.95Å; F3-G34 VanDerWaalsContact O-CA 3.23Å; F3-G34 WeakPolarHBondContact O-CA 3.26Å; F3-L66 HydrophobicContact CB-CD1 4.28Å; F3-L66 HydrophobicContact CB-CD2 4.26Å; F3-L66 HydrophobicContact CB-CG 4.33Å; F3-L66 HydrophobicContact CD1-CD1 4.26Å; F3-L66 HydrophobicContact CD1-CG 4.24Å; F3-L66 WeakPolarHBondContact CE1-O 3.45Å; F3-L66 HydrophobicContact CG-CG 4.36Å; F3-L67 HydrophobicContact CD2-CD2 3.81Å; F3-L67 HydrophobicContact CE1-CD2 4.25Å; F3-L67 HydrophobicContact CE2-CD2 3.27Å; F3-L67 HydrophobicContact CZ-CD2 3.54Å; F3-L90 HydrophobicContact CE2-CD2 4.25Å; F3-L90 HydrophobicContact CZ-CD1 4.44Å; F3-L90 HydrophobicContact CZ-CD2 4.01Å
4L92.4Very high94.2Very high14 Ų1459.6 Ų59.67%0.07331%0.305CS..G310 helixtrans-64.9-18.4179.5-68.1175.9000113.5M1 A2 K35 L90 K93M1-L4 HydrophobicContact CB-CD1 3.77Å; M1-L4 HydrophobicContact CB-CG 4.16Å; M1-L4 HydrophobicContact CG-CD1 4.37Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-L4 HydrophobicContact SD-CD1 3.94Å; A2-L4 PolarHBondContact O-N 3.33Å; A2-L4 VanDerWaalsContact O-N 3.12Å; L4-K35 HydrophobicContact CD2-CG 4.17Å; L4-K35 VanDerWaalsContact O-CG 3.31Å; L4-K35 WeakPolarHBondContact O-CG 3.2Å; L4-L90 HydrophobicContact CD2-CD2 4.32Å; L4-K93 HydrophobicContact CD1-CD 3.62Å; L4-K93 HydrophobicContact CD1-CG 4.03Å; L4-K93 HydrophobicContact CD2-CG 4.47Å
5H93.2Very high94.4Very high165 Ų16555.7 Ų55.776%0.76428%0.284SS*.G310 helixtrans-99.21.2176.8-60.6-75.8000112.8A2 F3 S7A2-H5 PolarHBondContact O-N 3.17Å; A2-H5 VanDerWaalsContact O-N 3.12Å; F3-H5 PolarHBondContact O-N 2.92Å; F3-H5 VanDerWaalsContact O-N 3.11Å; H5-S7 PolarHBondContact O-N 3.43Å
6W96.9Very high94.6Very high65 Ų6557.8 Ų57.825%0.24630%0.295CS..  trans-66.4127.6179-71.53000111F3 D10 V11 W14 G34 L37 L66F3-W6 HydrophobicContact CB-CD2 3.92Å; F3-W6 HydrophobicContact CB-CE3 4.12Å; F3-W6 HydrophobicContact CB-CG 4.37Å; F3-W6 HydrophobicContact CB-CH2 4.44Å; F3-W6 HydrophobicContact CB-CZ2 4.24Å; F3-W6 HydrophobicContact CB-CZ3 4.38Å; F3-W6 VanDerWaalsContact O-CB 3.27Å; F3-W6 WeakPolarHBondContact O-CB 3.33Å; F3-W6 PolarHBondContact O-N 2.95Å; W6-D10 HydrophobicContact CB-CB 3.8Å; W6-D10 HydrophobicContact CD2-CB 4.35Å; W6-D10 HydrophobicContact CG-CB 3.88Å; W6-V11 HydrophobicContact CB-CG2 4.21Å; W6-V11 HydrophobicContact CE3-CG2 4.13Å; W6-W14 HydrophobicContact CE3-CB 4.49Å; W6-W14 HydrophobicContact CH2-CB 4.04Å; W6-W14 AromaticContact CH2-CD1 3.97Å; W6-W14 HydrophobicContact CH2-CD2 4.44Å; W6-W14 AromaticContact CH2-CG 3.87Å; W6-W14 HydrophobicContact CH2-CG 3.87Å; W6-W14 HydrophobicContact CZ3-CB 3.67Å; W6-W14 AromaticContact CZ3-CD2 3.93Å; W6-W14 HydrophobicContact CZ3-CD2 3.93Å; W6-W14 HydrophobicContact CZ3-CE3 4.35Å; W6-W14 AromaticContact CZ3-CG 3.63Å; W6-W14 HydrophobicContact CZ3-CG 3.63Å; W6-G34 PolarHBondContact O-N 3.08Å; W6-L37 HydrophobicContact CE3-CD1 4.38Å; W6-L66 HydrophobicContact CE3-CD2 4.46Å; W6-L66 HydrophobicContact CH2-CD1 3.93Å; W6-L66 HydrophobicContact CH2-CD2 3.92Å; W6-L66 HydrophobicContact CZ3-CD1 4.46Å; W6-L66 HydrophobicContact CZ3-CD2 3.61Å
7S96.6Very high94.8Very high47 Ų4759.6 Ų59.633%0.32932%0.315SS..  trans-67.6168.8163.869.70000110.3H5 Q9 D10 V11H5-S7 PolarHBondContact O-N 3.43Å; S7-Q9 PolarHBondContact O-N 3.34Å; S7-Q9 PolarHBondContact OG-N 3.31Å; S7-D10 WeakPolarHBondContact CB-OD2 3.34Å; S7-D10 PolarHBondContact N-OD2 3.35Å; S7-D10 PolarHBondContact O-N 3.23Å; S7-D10 VanDerWaalsContact OG-CG 3.26Å; S7-D10 PolarHBondContact OG-N 3.41Å; S7-D10 PolarHBondContact OG-OD2 3.03Å; S7-V11 WeakPolarHBondContact O-CG2 3.29Å; S7-V11 PolarHBondContact O-N 3.14Å; S7-V11 VanDerWaalsContact O-N 3.08Å
8C97Very high94.9Very high16 Ų1658.5 Ų58.511%0.10831%0.309CS..Hα-helixtrans-59.7-24.6171.244.50000112.7V11 A12 I32C8-V11 PolarHBondContact O-N 2.98Å; C8-A12 WeakPolarHBondContact O-CB 3.34Å; C8-A12 PolarHBondContact O-N 3.41Å; C8-I32 WeakPolarHBondContact CA-O 3.08Å
9Q97.6Very high95Very high100 Ų10058.2 Ų58.247%0.46732%0.321SS..Hα-helixtrans-77.6-34.6179.8-83.353.9-66.700110.7S7 A12 K13S7-Q9 PolarHBondContact O-N 3.34Å; S7-Q9 PolarHBondContact OG-N 3.31Å; Q9-A12 PolarHBondContact O-N 2.85Å; Q9-K13 WeakPolarHBondContact O-CG 3.42Å; Q9-K13 PolarHBondContact O-N 2.92Å
10D98Very high95.1Very high56 Ų5657.2 Ų57.230%0.29931%0.312SS..Hα-helixtrans-69.4-39.2173.6-55.5-50.4000110.8W6 S7 A12 K13 W14W6-D10 HydrophobicContact CB-CB 3.8Å; W6-D10 HydrophobicContact CD2-CB 4.35Å; W6-D10 HydrophobicContact CG-CB 3.88Å; S7-D10 WeakPolarHBondContact CB-OD2 3.34Å; S7-D10 PolarHBondContact N-OD2 3.35Å; S7-D10 PolarHBondContact O-N 3.23Å; S7-D10 VanDerWaalsContact OG-CG 3.26Å; S7-D10 PolarHBondContact OG-N 3.41Å; S7-D10 PolarHBondContact OG-OD2 3.03Å; D10-A12 VanDerWaalsContact C-N 3.35Å; D10-K13 PolarHBondContact O-N 3.17Å; D10-W14 PolarHBondContact O-N 2.97Å
11V97.6Very high95.2Very high0 Ų057.7 Ų57.70%032%0.319CS..Hα-helixtrans-60.3-45.1171.3174.60000110.7W6 S7 C8 K13 W14 I15 F27 I32 L37W6-V11 HydrophobicContact CB-CG2 4.21Å; W6-V11 HydrophobicContact CE3-CG2 4.13Å; S7-V11 WeakPolarHBondContact O-CG2 3.29Å; S7-V11 PolarHBondContact O-N 3.14Å; S7-V11 VanDerWaalsContact O-N 3.08Å; C8-V11 PolarHBondContact O-N 2.98Å; V11-K13 PolarHBondContact O-N 3.09Å; V11-W14 WeakPolarHBondContact O-CB 3.47Å; V11-W14 PolarHBondContact O-N 2.64Å; V11-I15 HydrophobicContact CG1-CG1 4.42Å; V11-I15 WeakPolarHBondContact O-CG1 3.18Å; V11-I15 PolarHBondContact O-N 3.06Å; V11-F27 HydrophobicContact CG1-CB 4.14Å; V11-F27 HydrophobicContact CG1-CD1 3.76Å; V11-F27 HydrophobicContact CG1-CG 4.14Å; V11-I32 WeakPolarHBondContact CG2-O 3.36Å; V11-L37 HydrophobicContact CG1-CD2 3.93Å; V11-L37 HydrophobicContact CG2-CD1 4.25Å; V11-L37 HydrophobicContact CG2-CG 4.41Å
12A97.4Very high96.2Very high8 Ų858.1 Ų58.17%0.06632%0.319CS..Hα-helixtrans-61.9-41.9177.500000112.5C8 Q9 D10 W14 I15 I16 T24 T28C8-A12 WeakPolarHBondContact O-CB 3.34Å; C8-A12 PolarHBondContact O-N 3.41Å; Q9-A12 PolarHBondContact O-N 2.85Å; D10-A12 VanDerWaalsContact C-N 3.35Å; A12-W14 VanDerWaalsContact C-N 3.31Å; A12-W14 PolarHBondContact O-N 3.26Å; A12-I15 PolarHBondContact O-N 3.27Å; A12-I16 WeakPolarHBondContact O-CG1 3.26Å; A12-I16 PolarHBondContact O-N 3.01Å; A12-T24 HydrophobicContact CB-CG2 4.25Å; A12-T28 HydrophobicContact CB-CG2 3.57Å
13K98Very high96.6Very high134 Ų13456 Ų5658%0.58330%0.295SS*.Hα-helixtrans-60.8-40.6173.7-72.7171.2-172.9168.90112Q9 D10 V11 I16 S17Q9-K13 WeakPolarHBondContact O-CG 3.42Å; Q9-K13 PolarHBondContact O-N 2.92Å; D10-K13 PolarHBondContact O-N 3.17Å; V11-K13 PolarHBondContact O-N 3.09Å; K13-I16 PolarHBondContact O-N 3.09Å; K13-S17 PolarHBondContact O-N 3.36Å
14W97.8Very high96.8Very high32 Ų3257 Ų5712%0.12130%0.303CS..Hα-helixtrans-62.3-45.7174.5173.865000111.3W6 D10 V11 A12 I16 S17 L18 L37 H62 V63 L66W6-W14 HydrophobicContact CE3-CB 4.49Å; W6-W14 HydrophobicContact CH2-CB 4.04Å; W6-W14 AromaticContact CH2-CD1 3.97Å; W6-W14 HydrophobicContact CH2-CD2 4.44Å; W6-W14 AromaticContact CH2-CG 3.87Å; W6-W14 HydrophobicContact CH2-CG 3.87Å; W6-W14 HydrophobicContact CZ3-CB 3.67Å; W6-W14 AromaticContact CZ3-CD2 3.93Å; W6-W14 HydrophobicContact CZ3-CD2 3.93Å; W6-W14 HydrophobicContact CZ3-CE3 4.35Å; W6-W14 AromaticContact CZ3-CG 3.63Å; W6-W14 HydrophobicContact CZ3-CG 3.63Å; D10-W14 PolarHBondContact O-N 2.97Å; V11-W14 WeakPolarHBondContact O-CB 3.47Å; V11-W14 PolarHBondContact O-N 2.64Å; A12-W14 VanDerWaalsContact C-N 3.31Å; A12-W14 PolarHBondContact O-N 3.26Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.89Å; W14-S17 WeakPolarHBondContact O-CA 3.23Å; W14-S17 WeakPolarHBondContact O-CB 3.42Å; W14-S17 PolarHBondContact O-N 3.47Å; W14-S17 PolarHBondContact O-OG 3.26Å; W14-L18 HydrophobicContact CD2-CD1 4.14Å; W14-L18 HydrophobicContact CE3-CD1 4.4Å; W14-L18 HydrophobicContact CH2-CD1 3.97Å; W14-L18 HydrophobicContact CZ2-CD1 3.68Å; W14-L18 HydrophobicContact CZ3-CD1 4.31Å; W14-L18 WeakPolarHBondContact O-CG 3.47Å; W14-L18 PolarHBondContact O-N 3Å; W14-L18 VanDerWaalsContact O-N 3.08Å; W14-L37 HydrophobicContact CZ3-CD1 4.41Å; W14-L37 HydrophobicContact CZ3-CD2 4.12Å; W14-H62 HydrophobicContact CH2-CB 4.3Å; W14-H62 HydrophobicContact CZ2-CB 3.97Å; W14-V63 HydrophobicContact CH2-CB 4.47Å; W14-V63 HydrophobicContact CH2-CG2 3.71Å; W14-V63 HydrophobicContact CZ3-CG2 4.11Å; W14-L66 HydrophobicContact CD2-CD2 4.23Å; W14-L66 HydrophobicContact CE3-CD2 4.44Å; W14-L66 HydrophobicContact CH2-CD2 4.02Å; W14-L66 HydrophobicContact CZ2-CB 4.08Å; W14-L66 HydrophobicContact CZ2-CD2 3.76Å; W14-L66 HydrophobicContact CZ3-CD2 4.35Å
15I97.5Very high97Very high0 Ų058.1 Ų58.10%031%0.314CS..Hα-helixtrans-59.9-39.3175.5-66.9-68.1000112.2V11 A12 S17 L18 Y20 F27 I59V11-I15 HydrophobicContact CG1-CG1 4.42Å; V11-I15 WeakPolarHBondContact O-CG1 3.18Å; V11-I15 PolarHBondContact O-N 3.06Å; A12-I15 PolarHBondContact O-N 3.27Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.35Å; I15-L18 HydrophobicContact CD1-CD1 4.36Å; I15-L18 PolarHBondContact O-N 2.9Å; I15-Y20 VanDerWaalsContact CG2-O 3.29Å; I15-Y20 WeakPolarHBondContact CG2-O 3.5Å; I15-Y20 PolarHBondContact O-N 3.31Å; I15-Y20 VanDerWaalsContact O-N 3.15Å; I15-F27 HydrophobicContact CB-CD2 4.43Å; I15-F27 HydrophobicContact CB-CE2 4.47Å; I15-F27 HydrophobicContact CD1-CD2 4.13Å; I15-F27 HydrophobicContact CD1-CE1 4.03Å; I15-F27 HydrophobicContact CD1-CE2 3.52Å; I15-F27 HydrophobicContact CD1-CZ 3.47Å; I15-F27 VanDerWaalsContact CD1-CZ 3.47Å; I15-F27 HydrophobicContact CG1-CD1 4.39Å; I15-F27 HydrophobicContact CG1-CD2 3.72Å; I15-F27 HydrophobicContact CG1-CE1 4.32Å; I15-F27 HydrophobicContact CG1-CE2 3.64Å; I15-F27 HydrophobicContact CG1-CG 4.12Å; I15-F27 HydrophobicContact CG1-CZ 3.97Å; I15-F27 HydrophobicContact CG2-CD2 4.21Å; I15-F27 HydrophobicContact CG2-CE2 4.06Å; I15-I59 HydrophobicContact CD1-CG2 4.42Å
16I97.8Very high97.1Very high89 Ų8951.3 Ų51.346%0.45629%0.285SS..Hα-helixtrans-60.2-45.2171.8-66.3164.1000110.6A12 K13 W14 L18 G19 P21 T24A12-I16 WeakPolarHBondContact O-CG1 3.26Å; A12-I16 PolarHBondContact O-N 3.01Å; K13-I16 PolarHBondContact O-N 3.09Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.89Å; I16-L18 PolarHBondContact O-N 2.92Å; I16-G19 PolarHBondContact O-N 2.77Å; I16-P21 HydrophobicContact CG1-CB 4.14Å; I16-P21 HydrophobicContact CG2-CB 4.47Å; I16-T24 HydrophobicContact CD1-CG2 3.73Å; I16-T24 HydrophobicContact CG1-CG2 3.34Å
17S97.7Very high97.1Very high90 Ų9048.2 Ų48.263%0.62927%0.273SS*.Hα-helixtrans-64.4-23.2-179.576.80000113.8K13 W14 I15 G19K13-S17 PolarHBondContact O-N 3.36Å; W14-S17 WeakPolarHBondContact O-CA 3.23Å; W14-S17 WeakPolarHBondContact O-CB 3.42Å; W14-S17 PolarHBondContact O-N 3.47Å; W14-S17 PolarHBondContact O-OG 3.26Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.35Å; S17-G19 VanDerWaalsContact C-N 3.27Å
18L96.5Very high97.1Very high39 Ų3947.9 Ų47.920%0.20427%0.27CS..THydrogen-bonded Turntrans-79.9-5.7173.2-64.3-179.6000113.4W14 I15 I16 Y20 H62W14-L18 HydrophobicContact CD2-CD1 4.14Å; W14-L18 HydrophobicContact CE3-CD1 4.4Å; W14-L18 HydrophobicContact CH2-CD1 3.97Å; W14-L18 HydrophobicContact CZ2-CD1 3.68Å; W14-L18 HydrophobicContact CZ3-CD1 4.31Å; W14-L18 WeakPolarHBondContact O-CG 3.47Å; W14-L18 PolarHBondContact O-N 3Å; W14-L18 VanDerWaalsContact O-N 3.08Å; I15-L18 HydrophobicContact CD1-CD1 4.36Å; I15-L18 PolarHBondContact O-N 2.9Å; I16-L18 PolarHBondContact O-N 2.92Å; L18-Y20 HydrophobicContact CB-CD2 3.75Å; L18-Y20 HydrophobicContact CB-CE2 4.14Å; L18-Y20 WeakPolarHBondContact O-CE2 3.49Å; L18-H62 HydrophobicContact CD1-CB 3.77Å; L18-H62 HydrophobicContact CD2-CB 4.21Å
19G97.2Very high97Very high52 Ų5254.5 Ų54.554%0.53630%0.299SS..THydrogen-bonded Turntrans94.812.2-178.500000114.8I16 S17 P21I16-G19 PolarHBondContact O-N 2.77Å; S17-G19 VanDerWaalsContact C-N 3.27Å; G19-P21 WeakPolarHBondContact O-CD 3.36Å
20Y96.5Very high96.9Very high38 Ų3853.3 Ų53.315%0.14930%0.295CS..  trans-115.151.6-175.9-60.1-71.3000114.2I15 L18 H22 Y23 D55 A58 I59I15-Y20 VanDerWaalsContact CG2-O 3.29Å; I15-Y20 WeakPolarHBondContact CG2-O 3.5Å; I15-Y20 PolarHBondContact O-N 3.31Å; I15-Y20 VanDerWaalsContact O-N 3.15Å; L18-Y20 HydrophobicContact CB-CD2 3.75Å; L18-Y20 HydrophobicContact CB-CE2 4.14Å; L18-Y20 WeakPolarHBondContact O-CE2 3.49Å; Y20-H22 PolarHBondContact O-N 3.4Å; Y20-H22 VanDerWaalsContact O-N 3.13Å; Y20-Y23 HydrophobicContact CD1-CD2 4.09Å; Y20-Y23 HydrophobicContact CD1-CE2 4.08Å; Y20-Y23 HydrophobicContact CG-CD2 4.28Å; Y20-Y23 PolarHBondContact O-N 3.1Å; Y20-Y23 VanDerWaalsContact O-N 3.1Å; Y20-D55 HydrophobicContact CE1-CB 4.19Å; Y20-D55 VanDerWaalsContact CE1-OD1 3.26Å; Y20-D55 WeakPolarHBondContact CE1-OD1 3.48Å; Y20-A58 WeakPolarHBondContact OH-CB 3.31Å; Y20-I59 HydrophobicContact CD2-CD1 4.31Å; Y20-I59 HydrophobicContact CD2-CG1 3.93Å; Y20-I59 HydrophobicContact CE2-CG1 3.95Å; Y20-I59 HydrophobicContact CG-CD1 4.26Å; Y20-I59 HydrophobicContact CG-CG1 4.37Å
21P96.9Very high96.7Very high69 Ų6955.7 Ų55.745%0.44831%0.308SS..G310 helixtrans-62-27-17427-35.5000113.7I16 G19 Y23 T24I16-P21 HydrophobicContact CG1-CB 4.14Å; I16-P21 HydrophobicContact CG2-CB 4.47Å; G19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-Y23 VanDerWaalsContact C-N 3.28Å; P21-Y23 PolarHBondContact O-N 3.13Å; P21-T24 WeakPolarHBondContact O-CB 3.11Å; P21-T24 WeakPolarHBondContact O-CG2 3.19Å; P21-T24 PolarHBondContact O-N 2.9Å; P21-T24 PolarHBondContact O-OG1 2.97Å
22H96.3Very high96.7Very high117 Ų11756.4 Ų56.454%0.54231%0.312SS..G310 helixtrans-71-19.6179.455-88.7000113.5Y20Y20-H22 PolarHBondContact O-N 3.4Å; Y20-H22 VanDerWaalsContact O-N 3.13Å
23Y96.9Very high96.6Very high28 Ų2858.2 Ų58.211%0.1132%0.322CS..G310 helixtrans-89.70.3175.2-66.1-44.8000114Y20 P21 A25 C26 F27 I50 D55 I59Y20-Y23 HydrophobicContact CD1-CD2 4.09Å; Y20-Y23 HydrophobicContact CD1-CE2 4.08Å; Y20-Y23 HydrophobicContact CG-CD2 4.28Å; Y20-Y23 PolarHBondContact O-N 3.1Å; Y20-Y23 VanDerWaalsContact O-N 3.1Å; P21-Y23 VanDerWaalsContact C-N 3.28Å; P21-Y23 PolarHBondContact O-N 3.13Å; Y23-A25 VanDerWaalsContact C-N 3.3Å; Y23-A25 PolarHBondContact O-N 3.04Å; Y23-C26 WeakPolarHBondContact O-CA 3.33Å; Y23-C26 WeakPolarHBondContact O-CB 3.43Å; Y23-C26 PolarHBondContact O-N 2.92Å; Y23-F27 VanDerWaalsContact O-CD2 3.27Å; Y23-F27 WeakPolarHBondContact O-CD2 3.32Å; Y23-I50 HydrophobicContact CD1-CB 4.47Å; Y23-I50 HydrophobicContact CD1-CD1 4.23Å; Y23-I50 HydrophobicContact CD1-CG1 3.62Å; Y23-I50 HydrophobicContact CD1-CG2 4.48Å; Y23-I50 HydrophobicContact CD2-CD1 4.32Å; Y23-I50 HydrophobicContact CD2-CG1 4.37Å; Y23-I50 HydrophobicContact CD2-CG2 4.33Å; Y23-I50 HydrophobicContact CE1-CB 4.31Å; Y23-I50 HydrophobicContact CE1-CG1 3.94Å; Y23-I50 HydrophobicContact CE1-CG2 4.09Å; Y23-I50 HydrophobicContact CE2-CG2 3.97Å; Y23-I50 HydrophobicContact CG-CD1 3.95Å; Y23-I50 HydrophobicContact CG-CG1 3.87Å; Y23-D55 HydrophobicContact CE2-CB 3.81Å; Y23-D55 WeakPolarHBondContact CE2-OD2 3.34Å; Y23-D55 PolarHBondContact OH-OD2 3.44Å; Y23-I59 HydrophobicContact CD2-CD1 3.84Å; Y23-I59 HydrophobicContact CE2-CD1 4.22Å
24T96.4Very high96.5Very high37 Ų3751.9 Ų51.923%0.22730%0.295CS..Hα-helixtrans-55.2-43.6-177.749.30000113.3A12 I16 P21 C26 F27 T28A12-T24 HydrophobicContact CB-CG2 4.25Å; I16-T24 HydrophobicContact CD1-CG2 3.73Å; I16-T24 HydrophobicContact CG1-CG2 3.34Å; P21-T24 WeakPolarHBondContact O-CB 3.11Å; P21-T24 WeakPolarHBondContact O-CG2 3.19Å; P21-T24 PolarHBondContact O-N 2.9Å; P21-T24 PolarHBondContact O-OG1 2.97Å; T24-C26 VanDerWaalsContact C-N 3.27Å; T24-C26 PolarHBondContact O-N 3.45Å; T24-F27 PolarHBondContact O-N 2.86Å; T24-T28 PolarHBondContact O-N 2.85Å; T24-T28 PolarHBondContact O-OG1 3.16Å
25A96.5Very high96.3Very high38 Ų3851.9 Ų51.931%0.31430%0.295SS..Hα-helixtrans-58.3-38.4175.900000112.3Y23 F27 T28 E29Y23-A25 VanDerWaalsContact C-N 3.3Å; Y23-A25 PolarHBondContact O-N 3.04Å; A25-F27 PolarHBondContact O-N 3.48Å; A25-T28 WeakPolarHBondContact CA-OG1 3.27Å; A25-T28 PolarHBondContact O-N 2.96Å; A25-T28 PolarHBondContact O-OG1 3.45Å; A25-E29 VanDerWaalsContact O-CB 3.29Å; A25-E29 WeakPolarHBondContact O-CB 3.16Å; A25-E29 WeakPolarHBondContact O-CG 3.43Å; A25-E29 PolarHBondContact O-N 3.38Å
26C95.9Very high96.2Very high22 Ų2255.8 Ų55.815%0.14931%0.312CS..Hα-helixtrans-57.7-32.9176.4-58.80000112.2Y23 T24 N30 L48 I50Y23-C26 WeakPolarHBondContact O-CA 3.33Å; Y23-C26 WeakPolarHBondContact O-CB 3.43Å; Y23-C26 PolarHBondContact O-N 2.92Å; T24-C26 VanDerWaalsContact C-N 3.27Å; T24-C26 PolarHBondContact O-N 3.45Å; C26-N30 WeakPolarHBondContact O-CB 3.43Å; C26-N30 PolarHBondContact O-ND2 2.64Å; C26-L48 HydrophobicContact CB-CB 4.48Å; C26-L48 VanDerWaalsContact CB-O 3.23Å; C26-L48 WeakPolarHBondContact CB-O 3.27Å; C26-L48 PolarHBondContact SG-O 3.29Å; C26-I50 HydrophobicContact CB-CD1 4.19Å; C26-I50 HydrophobicContact CB-CG1 4.16Å
27F96.5Very high96.1Very high0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-89.1-39.6178.6-67.8-90.4000112.9V11 I15 Y23 T24 A25 L31 I32 V40 L45 I50 I59V11-F27 HydrophobicContact CG1-CB 4.14Å; V11-F27 HydrophobicContact CG1-CD1 3.76Å; V11-F27 HydrophobicContact CG1-CG 4.14Å; I15-F27 HydrophobicContact CB-CD2 4.43Å; I15-F27 HydrophobicContact CB-CE2 4.47Å; I15-F27 HydrophobicContact CD1-CD2 4.13Å; I15-F27 HydrophobicContact CD1-CE1 4.03Å; I15-F27 HydrophobicContact CD1-CE2 3.52Å; I15-F27 HydrophobicContact CD1-CZ 3.47Å; I15-F27 VanDerWaalsContact CD1-CZ 3.47Å; I15-F27 HydrophobicContact CG1-CD1 4.39Å; I15-F27 HydrophobicContact CG1-CD2 3.72Å; I15-F27 HydrophobicContact CG1-CE1 4.32Å; I15-F27 HydrophobicContact CG1-CE2 3.64Å; I15-F27 HydrophobicContact CG1-CG 4.12Å; I15-F27 HydrophobicContact CG1-CZ 3.97Å; I15-F27 HydrophobicContact CG2-CD2 4.21Å; I15-F27 HydrophobicContact CG2-CE2 4.06Å; Y23-F27 VanDerWaalsContact O-CD2 3.27Å; Y23-F27 WeakPolarHBondContact O-CD2 3.32Å; T24-F27 PolarHBondContact O-N 2.86Å; A25-F27 PolarHBondContact O-N 3.48Å; F27-L31 PolarHBondContact O-N 3.24Å; F27-I32 HydrophobicContact CB-CB 4.32Å; F27-I32 HydrophobicContact CD1-CB 3.97Å; F27-I32 HydrophobicContact CD1-CG1 4.23Å; F27-I32 HydrophobicContact CD1-CG2 3.88Å; F27-I32 PolarHBondContact O-N 2.92Å; F27-V40 HydrophobicContact CE1-CG1 4.06Å; F27-V40 HydrophobicContact CE1-CG2 4.26Å; F27-V40 HydrophobicContact CZ-CG1 4.4Å; F27-L45 HydrophobicContact CZ-CD2 4.42Å; F27-I50 HydrophobicContact CE2-CD1 3.63Å; F27-I50 HydrophobicContact CZ-CD1 3.89Å; F27-I59 HydrophobicContact CZ-CG2 4.28Å
28T96.6Very high95.9Very high41 Ų4147.5 Ų47.525%0.25226%0.262SS..Hα-helixtrans-72.8-47.1-177.755.40000112.3A12 T24 A25 N30 L31A12-T28 HydrophobicContact CB-CG2 3.57Å; T24-T28 PolarHBondContact O-N 2.85Å; T24-T28 PolarHBondContact O-OG1 3.16Å; A25-T28 WeakPolarHBondContact CA-OG1 3.27Å; A25-T28 PolarHBondContact O-N 2.96Å; A25-T28 PolarHBondContact O-OG1 3.45Å; T28-N30 VanDerWaalsContact C-N 3.34Å; T28-N30 PolarHBondContact O-N 3.42Å; T28-L31 PolarHBondContact O-N 3.08Å; T28-L31 VanDerWaalsContact O-N 3.09Å
29E96.3Very high95.8Very high155 Ų15549.1 Ų49.172%0.72427%0.266SS*.THydrogen-bonded Turntrans-69.7-32.6-177.5-63.3-177.7-175.200111.9A25 L31A25-E29 VanDerWaalsContact O-CB 3.29Å; A25-E29 WeakPolarHBondContact O-CB 3.16Å; A25-E29 WeakPolarHBondContact O-CG 3.43Å; A25-E29 PolarHBondContact O-N 3.38Å; E29-L31 PolarHBondContact O-N 3.29Å
30N94.8Very high95.6Very high74 Ų7447 Ų4740%0.39624%0.242SC..THydrogen-bonded Turntrans-84.57.4173.9-67.6-78.3000113.6C26 T28 I32 L48C26-N30 WeakPolarHBondContact O-CB 3.43Å; C26-N30 PolarHBondContact O-ND2 2.64Å; T28-N30 VanDerWaalsContact C-N 3.34Å; T28-N30 PolarHBondContact O-N 3.42Å; N30-I32 VanDerWaalsContact C-N 3.28Å; N30-I32 HydrophobicContact CB-CD1 4.16Å; N30-I32 HydrophobicContact CB-CG1 4.05Å; N30-I32 PolarHBondContact O-N 3.19Å; N30-L48 HydrophobicContact CB-CD2 3.59Å
31L94.6Very high95.4Very high106 Ų10647.5 Ų47.556%0.55525%0.248SC*.THydrogen-bonded Turntrans53.343.7176.6-55.4175.4000112.8F27 T28 E29 T33 K36F27-L31 PolarHBondContact O-N 3.24Å; T28-L31 PolarHBondContact O-N 3.08Å; T28-L31 VanDerWaalsContact O-N 3.09Å; E29-L31 PolarHBondContact O-N 3.29Å; L31-T33 PolarHBondContact O-N 3.19Å; L31-T33 VanDerWaalsContact O-N 3.17Å; L31-K36 WeakPolarHBondContact O-CD 2.99Å; L31-K36 WeakPolarHBondContact O-CE 3.44Å; L31-K36 PolarHBondContact O-NZ 3.33Å
32I96.4Very high95.2Very high16 Ų1646.5 Ų46.58%0.08224%0.242CC..  trans-79.796.9178.5-53-57.8000108.8C8 V11 F27 N30 K36 L37 V40 L48C8-I32 WeakPolarHBondContact CA-O 3.08Å; V11-I32 WeakPolarHBondContact CG2-O 3.36Å; F27-I32 HydrophobicContact CB-CB 4.32Å; F27-I32 HydrophobicContact CD1-CB 3.97Å; F27-I32 HydrophobicContact CD1-CG1 4.23Å; F27-I32 HydrophobicContact CD1-CG2 3.88Å; F27-I32 PolarHBondContact O-N 2.92Å; N30-I32 VanDerWaalsContact C-N 3.28Å; N30-I32 HydrophobicContact CB-CD1 4.16Å; N30-I32 HydrophobicContact CB-CG1 4.05Å; N30-I32 PolarHBondContact O-N 3.19Å; I32-K36 HydrophobicContact CD1-CD 4.49Å; I32-K36 HydrophobicContact CG2-CB 4.21Å; I32-L37 HydrophobicContact CG2-CD2 4.12Å; I32-V40 HydrophobicContact CG2-CG2 3.97Å; I32-L48 HydrophobicContact CD1-CD1 4.5Å; I32-L48 HydrophobicContact CD1-CD2 3.92Å; I32-L48 HydrophobicContact CG1-CD1 4.41Å; I32-L48 HydrophobicContact CG1-CD2 4.15Å
33T96.1Very high94.8Very high46 Ų4645.9 Ų45.928%0.28225%0.25SC..  trans-83167.7171.462.50000110.6L31 K35 K36 L37L31-T33 PolarHBondContact O-N 3.19Å; L31-T33 VanDerWaalsContact O-N 3.17Å; T33-K35 PolarHBondContact O-N 2.94Å; T33-K35 VanDerWaalsContact O-N 3.16Å; T33-K36 WeakPolarHBondContact O-CA 3.44Å; T33-K36 WeakPolarHBondContact O-CB 3.26Å; T33-K36 PolarHBondContact O-N 2.96Å; T33-L37 PolarHBondContact O-N 3.09Å
34G95.6Very high94.6Very high1 Ų149.4 Ų49.41%0.0126%0.263CS..G310 helixtrans-62.3-26.5-179.400000114.3F3 W6 K36 L37F3-G34 VanDerWaalsContact O-CA 3.23Å; F3-G34 WeakPolarHBondContact O-CA 3.26Å; W6-G34 PolarHBondContact O-N 3.08Å; G34-K36 VanDerWaalsContact C-N 3.28Å; G34-K36 PolarHBondContact O-N 3.09Å; G34-L37 WeakPolarHBondContact O-CB 3.45Å; G34-L37 PolarHBondContact O-N 2.99Å
35K93.9Very high94.6Very high32 Ų3247.6 Ų47.614%0.13925%0.252CS..G310 helixtrans-63.3-31.4169.4-69.7-170.5176.3-175.60113.2L4 T33 S94 D101L4-K35 HydrophobicContact CD2-CG 4.17Å; L4-K35 VanDerWaalsContact O-CG 3.31Å; L4-K35 WeakPolarHBondContact O-CG 3.2Å; T33-K35 PolarHBondContact O-N 2.94Å; T33-K35 VanDerWaalsContact O-N 3.16Å; K35-S94 VanDerWaalsContact O-CB 3.22Å; K35-S94 WeakPolarHBondContact O-CB 3.26Å; K35-D101 IonicContact NZ-OD1 3.49Å; K35-D101 PolarHBondContact NZ-OD1 3.07Å
36K95.1Very high94.5Very high81 Ų8148.4 Ų48.435%0.35225%0.254SS..G310 helixtrans-85.4-10.6-178.5-67.6-175.7-176.2173.10113.4L31 I32 T33 G34 I38 Y39L31-K36 WeakPolarHBondContact O-CD 2.99Å; L31-K36 WeakPolarHBondContact O-CE 3.44Å; L31-K36 PolarHBondContact O-NZ 3.33Å; I32-K36 HydrophobicContact CD1-CD 4.49Å; I32-K36 HydrophobicContact CG2-CB 4.21Å; T33-K36 WeakPolarHBondContact O-CA 3.44Å; T33-K36 WeakPolarHBondContact O-CB 3.26Å; T33-K36 PolarHBondContact O-N 2.96Å; G34-K36 VanDerWaalsContact C-N 3.28Å; G34-K36 PolarHBondContact O-N 3.09Å; K36-I38 PolarHBondContact O-N 2.98Å; K36-I38 VanDerWaalsContact O-N 3.09Å; K36-Y39 PolarHBondContact O-N 3.39Å
37L95.3Very high94.4Very high0 Ų056.5 Ų56.50%028%0.282CS..G310 helixtrans-57.2-26.2179-72.5175.6000113.1W6 V11 W14 I32 T33 G34 Y39 V40 V63 L66 L67W6-L37 HydrophobicContact CE3-CD1 4.38Å; V11-L37 HydrophobicContact CG1-CD2 3.93Å; V11-L37 HydrophobicContact CG2-CD1 4.25Å; V11-L37 HydrophobicContact CG2-CG 4.41Å; W14-L37 HydrophobicContact CZ3-CD1 4.41Å; W14-L37 HydrophobicContact CZ3-CD2 4.12Å; I32-L37 HydrophobicContact CG2-CD2 4.12Å; T33-L37 PolarHBondContact O-N 3.09Å; G34-L37 WeakPolarHBondContact O-CB 3.45Å; G34-L37 PolarHBondContact O-N 2.99Å; L37-Y39 PolarHBondContact O-N 2.94Å; L37-Y39 VanDerWaalsContact O-N 3.08Å; L37-V40 HydrophobicContact CD2-CG2 4.11Å; L37-V40 WeakPolarHBondContact O-CB 3.46Å; L37-V40 PolarHBondContact O-N 2.93Å; L37-V63 VanDerWaalsContact O-CG1 3.28Å; L37-V63 WeakPolarHBondContact O-CG1 3.47Å; L37-L66 HydrophobicContact CD1-CD2 3.65Å; L37-L67 HydrophobicContact CB-CD2 4.33Å
38I94.4Very high94.3Very high6 Ų657.6 Ų57.63%0.03129%0.288CS..G310 helixtrans-58.4-22.6175-168.460.3000114K36 L67 T69 R83 L90K36-I38 PolarHBondContact O-N 2.98Å; K36-I38 VanDerWaalsContact O-N 3.09Å; I38-L67 HydrophobicContact CB-CD1 4.21Å; I38-L67 HydrophobicContact CD1-CD1 3.81Å; I38-T69 HydrophobicContact CD1-CG2 4.33Å; I38-R83 VanDerWaalsContact CD1-NH1 3.28Å; I38-R83 PolarHBondContact O-NH1 3.45Å; I38-R83 PolarHBondContact O-NH2 3.14Å; I38-L90 HydrophobicContact CB-CB 4.49Å; I38-L90 HydrophobicContact CD1-CB 3.9Å; I38-L90 HydrophobicContact CD1-CD1 4.29Å; I38-L90 HydrophobicContact CG1-CB 4.05Å
39Y93.1Very high94.1Very high73 Ų7357.9 Ų57.929%0.28630%0.298SS..G310 helixtrans-92.8-11.2176.6-57.2-70.9000113.2K36 L37 N41 Y44 S94K36-Y39 PolarHBondContact O-N 3.39Å; L37-Y39 PolarHBondContact O-N 2.94Å; L37-Y39 VanDerWaalsContact O-N 3.08Å; Y39-N41 PolarHBondContact O-N 3.5Å; Y39-N41 VanDerWaalsContact O-N 3.09Å; Y39-Y44 WeakPolarHBondContact O-CB 3.39Å; Y39-Y44 WeakPolarHBondContact O-CD2 3.28Å; Y39-Y44 VanDerWaalsContact O-CG 3.28Å; Y39-S94 WeakPolarHBondContact CE2-OG 3.4Å; Y39-S94 PolarHBondContact OH-OG 3.15Å
40V94.3Very high94.1Very high7 Ų750.5 Ų50.54%0.04226%0.264CS..  trans-7997.6-179.8-177.80000108.9F27 I32 L37 L45 L48 I59 V63F27-V40 HydrophobicContact CE1-CG1 4.06Å; F27-V40 HydrophobicContact CE1-CG2 4.26Å; F27-V40 HydrophobicContact CZ-CG1 4.4Å; I32-V40 HydrophobicContact CG2-CG2 3.97Å; L37-V40 HydrophobicContact CD2-CG2 4.11Å; L37-V40 WeakPolarHBondContact O-CB 3.46Å; L37-V40 PolarHBondContact O-N 2.93Å; V40-L45 HydrophobicContact CG1-CD2 3.55Å; V40-L45 HydrophobicContact CG1-CG 4.05Å; V40-L48 HydrophobicContact CG2-CD1 4.39Å; V40-I59 HydrophobicContact CG1-CG2 4.4Å; V40-V63 HydrophobicContact CB-CG2 4.18Å; V40-V63 HydrophobicContact CG1-CG2 4Å
41N92Very high94.1Very high48 Ų4852 Ų5226%0.25728%0.276SS..SBendtrans-140.4175.4176.367.231.2000110.5Y39 C43 Y44 L45Y39-N41 PolarHBondContact O-N 3.5Å; Y39-N41 VanDerWaalsContact O-N 3.09Å; N41-C43 PolarHBondContact O-N 3.22Å; N41-C43 WeakPolarHBondContact OD1-CA 3.34Å; N41-C43 WeakPolarHBondContact OD1-CB 3.49Å; N41-C43 PolarHBondContact OD1-N 2.91Å; N41-Y44 PolarHBondContact O-N 3.44Å; N41-Y44 WeakPolarHBondContact OD1-CD2 3.44Å; N41-Y44 PolarHBondContact OD1-N 3.36Å; N41-Y44 VanDerWaalsContact OD1-N 3.09Å; N41-L45 VanDerWaalsContact O-CG 3.32Å; N41-L45 WeakPolarHBondContact O-CG 3.42Å; N41-L45 PolarHBondContact O-N 3.18Å
42C91.4Very high94.3Very high49 Ų4950.6 Ų50.633%0.33127%0.269SS..THydrogen-bonded Turntrans-57.1-21.4-178.8-61.20000114.6P46 M56 S60C42-P46 WeakPolarHBondContact O-CD 3.33Å; C42-M56 HydrophobicContact CB-CE 4.16Å; C42-M56 WeakPolarHBondContact O-CE 3.16Å; C42-S60 PolarHBondContact N-OG 3.35Å; C42-S60 VanDerWaalsContact N-OG 3.15Å; C42-S60 PolarHBondContact SG-OG 3.39Å
43C89.6Confident94.2Very high104 Ų10456 Ų5670%0.70329%0.292SS*.THydrogen-bonded Turntrans-82.6-30175.1-56.70000112.6N41N41-C43 PolarHBondContact O-N 3.22Å; N41-C43 WeakPolarHBondContact OD1-CA 3.34Å; N41-C43 WeakPolarHBondContact OD1-CB 3.49Å; N41-C43 PolarHBondContact OD1-N 2.91Å
44Y92.7Very high94.2Very high101 Ų10158.9 Ų58.940%0.39630%0.302SS..THydrogen-bonded Turntrans-95.1-28.4-176.9-80.3-80.6000113.7Y39 N41 P46 R47 L48Y39-Y44 WeakPolarHBondContact O-CB 3.39Å; Y39-Y44 WeakPolarHBondContact O-CD2 3.28Å; Y39-Y44 VanDerWaalsContact O-CG 3.28Å; N41-Y44 PolarHBondContact O-N 3.44Å; N41-Y44 WeakPolarHBondContact OD1-CD2 3.44Å; N41-Y44 PolarHBondContact OD1-N 3.36Å; N41-Y44 VanDerWaalsContact OD1-N 3.09Å; Y44-P46 VanDerWaalsContact C-CD 3.48Å; Y44-P46 VanDerWaalsContact C-N 3.35Å; Y44-R47 WeakPolarHBondContact O-CA 3.35Å; Y44-R47 WeakPolarHBondContact O-CB 3.41Å; Y44-R47 PolarHBondContact O-N 2.96Å; Y44-L48 PolarHBondContact O-N 3.03Å
45L94.9Very high94.3Very high0 Ų060.3 Ų60.30%031%0.31CS..G310 helixtrans-54.1-40.7179.7-77167.7000113.9F27 V40 N41 R47 L48 G49 I50 M56 I59 S60F27-L45 HydrophobicContact CZ-CD2 4.42Å; V40-L45 HydrophobicContact CG1-CD2 3.55Å; V40-L45 HydrophobicContact CG1-CG 4.05Å; N41-L45 VanDerWaalsContact O-CG 3.32Å; N41-L45 WeakPolarHBondContact O-CG 3.42Å; N41-L45 PolarHBondContact O-N 3.18Å; L45-R47 PolarHBondContact O-N 3.43Å; L45-L48 HydrophobicContact CD2-CD1 4.45Å; L45-L48 WeakPolarHBondContact O-CA 3.15Å; L45-L48 WeakPolarHBondContact O-CB 3.44Å; L45-L48 PolarHBondContact O-N 3.41Å; L45-G49 PolarHBondContact O-N 3.34Å; L45-I50 CarbonylContact C-O 3.19Å; L45-I50 HydrophobicContact CB-CB 4.18Å; L45-I50 HydrophobicContact CB-CG2 4.49Å; L45-I50 HydrophobicContact CD2-CB 4.25Å; L45-I50 HydrophobicContact CD2-CD1 3.6Å; L45-I50 HydrophobicContact CD2-CG1 4.45Å; L45-I50 HydrophobicContact CD2-CG2 4.45Å; L45-I50 PolarHBondContact O-N 2.86Å; L45-M56 HydrophobicContact CB-CG 3.97Å; L45-M56 HydrophobicContact CD1-CB 4.07Å; L45-M56 HydrophobicContact CD1-CG 4.16Å; L45-M56 WeakPolarHBondContact CD1-O 3.45Å; L45-I59 HydrophobicContact CD1-CB 4.39Å; L45-I59 HydrophobicContact CD1-CG2 4.29Å; L45-I59 HydrophobicContact CD2-CG2 4.07Å; L45-S60 VanDerWaalsContact CD1-OG 3.26Å; L45-S60 WeakPolarHBondContact CD1-OG 3.34Å
46P95.2Very high94.4Very high55 Ų5559.6 Ų59.636%0.35731%0.307SS..G310 helixtrans-60.6-32.3174.7-26.937.1000113.2C42 Y44 L48 G49 I50 T51 M56C42-P46 WeakPolarHBondContact O-CD 3.33Å; Y44-P46 VanDerWaalsContact C-CD 3.48Å; Y44-P46 VanDerWaalsContact C-N 3.35Å; P46-L48 PolarHBondContact O-N 2.73Å; P46-G49 PolarHBondContact O-N 3.24Å; P46-G49 VanDerWaalsContact O-N 3.14Å; P46-I50 VanDerWaalsContact CA-O 3.26Å; P46-I50 WeakPolarHBondContact CA-O 3.29Å; P46-T51 HydrophobicContact CB-CG2 4.47Å; P46-M56 HydrophobicContact CG-CE 3.56Å; P46-M56 HydrophobicContact CG-SD 4.02Å
47R93.6Very high94.4Very high192 Ų19259.9 Ų59.973%0.72531%0.308SS*.G310 helixtrans-73.3-19177.6-53.4179.375.4177.34.6112.4Y44 L45 G49Y44-R47 WeakPolarHBondContact O-CA 3.35Å; Y44-R47 WeakPolarHBondContact O-CB 3.41Å; Y44-R47 PolarHBondContact O-N 2.96Å; L45-R47 PolarHBondContact O-N 3.43Å; R47-G49 VanDerWaalsContact C-N 3.35Å
48L93.8Very high94.5Very high23 Ų2361.2 Ų61.212%0.1232%0.319CS..G310 helixtrans-88.4-3.6172.2-61.8175.2000112.6C26 N30 I32 V40 Y44 L45 P46C26-L48 HydrophobicContact CB-CB 4.48Å; C26-L48 VanDerWaalsContact CB-O 3.23Å; C26-L48 WeakPolarHBondContact CB-O 3.27Å; C26-L48 PolarHBondContact SG-O 3.29Å; N30-L48 HydrophobicContact CB-CD2 3.59Å; I32-L48 HydrophobicContact CD1-CD1 4.5Å; I32-L48 HydrophobicContact CD1-CD2 3.92Å; I32-L48 HydrophobicContact CG1-CD1 4.41Å; I32-L48 HydrophobicContact CG1-CD2 4.15Å; V40-L48 HydrophobicContact CG2-CD1 4.39Å; Y44-L48 PolarHBondContact O-N 3.03Å; L45-L48 HydrophobicContact CD2-CD1 4.45Å; L45-L48 WeakPolarHBondContact O-CA 3.15Å; L45-L48 WeakPolarHBondContact O-CB 3.44Å; L45-L48 PolarHBondContact O-N 3.41Å; P46-L48 PolarHBondContact O-N 2.73Å
49G93.3Very high94.6Very high46 Ų4660.9 Ų60.947%0.47432%0.318SS..THydrogen-bonded Turntrans9211-176.500000114.6L45 P46 R47L45-G49 PolarHBondContact O-N 3.34Å; P46-G49 PolarHBondContact O-N 3.24Å; P46-G49 VanDerWaalsContact O-N 3.14Å; R47-G49 VanDerWaalsContact C-N 3.35Å
50I95.9Very high94.7Very high0 Ų057.5 Ų57.50%030%0.304CS..  trans-101.4103.2177.2-56.6173.2000107.9Y23 C26 F27 L45 P46 M56 I59Y23-I50 HydrophobicContact CD1-CB 4.47Å; Y23-I50 HydrophobicContact CD1-CD1 4.23Å; Y23-I50 HydrophobicContact CD1-CG1 3.62Å; Y23-I50 HydrophobicContact CD1-CG2 4.48Å; Y23-I50 HydrophobicContact CD2-CD1 4.32Å; Y23-I50 HydrophobicContact CD2-CG1 4.37Å; Y23-I50 HydrophobicContact CD2-CG2 4.33Å; Y23-I50 HydrophobicContact CE1-CB 4.31Å; Y23-I50 HydrophobicContact CE1-CG1 3.94Å; Y23-I50 HydrophobicContact CE1-CG2 4.09Å; Y23-I50 HydrophobicContact CE2-CG2 3.97Å; Y23-I50 HydrophobicContact CG-CD1 3.95Å; Y23-I50 HydrophobicContact CG-CG1 3.87Å; C26-I50 HydrophobicContact CB-CD1 4.19Å; C26-I50 HydrophobicContact CB-CG1 4.16Å; F27-I50 HydrophobicContact CE2-CD1 3.63Å; F27-I50 HydrophobicContact CZ-CD1 3.89Å; L45-I50 CarbonylContact C-O 3.19Å; L45-I50 HydrophobicContact CB-CB 4.18Å; L45-I50 HydrophobicContact CB-CG2 4.49Å; L45-I50 HydrophobicContact CD2-CB 4.25Å; L45-I50 HydrophobicContact CD2-CD1 3.6Å; L45-I50 HydrophobicContact CD2-CG1 4.45Å; L45-I50 HydrophobicContact CD2-CG2 4.45Å; L45-I50 PolarHBondContact O-N 2.86Å; P46-I50 VanDerWaalsContact CA-O 3.26Å; P46-I50 WeakPolarHBondContact CA-O 3.29Å; I50-M56 HydrophobicContact CG2-CG 4.01Å; I50-I59 HydrophobicContact CD1-CD1 4.26Å; I50-I59 HydrophobicContact CG2-CD1 4.31Å
51T95.8Very high94.7Very high106 Ų10659.1 Ų59.165%0.6532%0.318SS*.  trans-116.8-9.1-172.257.60000114.3P46 F53P46-T51 HydrophobicContact CB-CG2 4.47Å; T51-F53 PolarHBondContact O-N 3.31Å
52D97.1Very high95Very high77 Ų7759.7 Ų59.741%0.41232%0.32SS..  trans-69.8124.3172.5-176.9-82.7000109.9E54 D55 M56D52-E54 PolarHBondContact O-N 2.95Å; D52-E54 PolarHBondContact OD1-N 3.24Å; D52-D55 HydrophobicContact CB-CB 4.04Å; D52-D55 PolarHBondContact O-N 3.5Å; D52-D55 PolarHBondContact OD1-N 3.29Å; D52-M56 WeakPolarHBondContact O-CB 3.14Å; D52-M56 WeakPolarHBondContact O-CG 3.47Å; D52-M56 PolarHBondContact O-N 2.97Å
53F94.7Very high95.2Very high129 Ų12957.6 Ų57.657%0.56631%0.305SS*.Hα-helixtrans-68.3-35.1-171-179.1-113.3000113.3T51 M56 K57T51-F53 PolarHBondContact O-N 3.31Å; F53-M56 PolarHBondContact O-N 3.38Å; F53-K57 HydrophobicContact CD1-CD 3.85Å; F53-K57 HydrophobicContact CE1-CD 3.39Å; F53-K57 HydrophobicContact CE1-CG 4.38Å; F53-K57 HydrophobicContact CE2-CD 4.22Å; F53-K57 HydrophobicContact CE2-CG 4.39Å; F53-K57 HydrophobicContact CG-CD 4.46Å; F53-K57 HydrophobicContact CZ-CD 3.6Å; F53-K57 HydrophobicContact CZ-CG 4.21Å; F53-K57 WeakPolarHBondContact O-CG 3.33Å; F53-K57 PolarHBondContact O-N 3.15Å
54E96.8Very high95.4Very high107 Ų10755.1 Ų55.150%0.528%0.281SS..Hα-helixtrans-74.2-40.1-179.7-69.2-54.8134.200110.6D52 M56 K57 A58D52-E54 PolarHBondContact O-N 2.95Å; D52-E54 PolarHBondContact OD1-N 3.24Å; E54-M56 VanDerWaalsContact C-N 3.31Å; E54-M56 PolarHBondContact O-N 2.88Å; E54-K57 VanDerWaalsContact CD-NZ 3.26Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.28Å; E54-K57 IonicContact OE2-NZ 2.92Å; E54-K57 PolarHBondContact OE2-NZ 2.99Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.34Å
55D96.8Very high95.5Very high31 Ų3157.4 Ų57.417%0.16630%0.295CS..Hα-helixtrans-61.4-42.6171.1-65.6-17.3000111.2Y20 Y23 D52 K57 A58 I59Y20-D55 HydrophobicContact CE1-CB 4.19Å; Y20-D55 VanDerWaalsContact CE1-OD1 3.26Å; Y20-D55 WeakPolarHBondContact CE1-OD1 3.48Å; Y23-D55 HydrophobicContact CE2-CB 3.81Å; Y23-D55 WeakPolarHBondContact CE2-OD2 3.34Å; Y23-D55 PolarHBondContact OH-OD2 3.44Å; D52-D55 HydrophobicContact CB-CB 4.04Å; D52-D55 PolarHBondContact O-N 3.5Å; D52-D55 PolarHBondContact OD1-N 3.29Å; D55-K57 VanDerWaalsContact C-N 3.31Å; D55-K57 PolarHBondContact O-N 2.98Å; D55-A58 PolarHBondContact O-N 2.77Å; D55-I59 WeakPolarHBondContact O-CB 3.49Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.22Å; D55-I59 PolarHBondContact O-N 2.82Å
56M96.5Very high95.5Very high16 Ų1659.7 Ų59.78%0.07931%0.307CS..Hα-helixtrans-59.6-42.7177.8-75167.659.400112.2C42 L45 P46 I50 D52 F53 E54 S60C42-M56 HydrophobicContact CB-CE 4.16Å; C42-M56 WeakPolarHBondContact O-CE 3.16Å; L45-M56 HydrophobicContact CB-CG 3.97Å; L45-M56 HydrophobicContact CD1-CB 4.07Å; L45-M56 HydrophobicContact CD1-CG 4.16Å; L45-M56 WeakPolarHBondContact CD1-O 3.45Å; P46-M56 HydrophobicContact CG-CE 3.56Å; P46-M56 HydrophobicContact CG-SD 4.02Å; I50-M56 HydrophobicContact CG2-CG 4.01Å; D52-M56 WeakPolarHBondContact O-CB 3.14Å; D52-M56 WeakPolarHBondContact O-CG 3.47Å; D52-M56 PolarHBondContact O-N 2.97Å; F53-M56 PolarHBondContact O-N 3.38Å; E54-M56 VanDerWaalsContact C-N 3.31Å; E54-M56 PolarHBondContact O-N 2.88Å; M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 2.61Å; M56-S60 PolarHBondContact O-OG 3.38Å
57K95.4Very high95.5Very high88 Ų8857.5 Ų57.538%0.38329%0.293SS..Hα-helixtrans-63.9-49.9176.4-80.2166.259.4-152.50111.4F53 E54 D55 S60 A61F53-K57 HydrophobicContact CD1-CD 3.85Å; F53-K57 HydrophobicContact CE1-CD 3.39Å; F53-K57 HydrophobicContact CE1-CG 4.38Å; F53-K57 HydrophobicContact CE2-CD 4.22Å; F53-K57 HydrophobicContact CE2-CG 4.39Å; F53-K57 HydrophobicContact CG-CD 4.46Å; F53-K57 HydrophobicContact CZ-CD 3.6Å; F53-K57 HydrophobicContact CZ-CG 4.21Å; F53-K57 WeakPolarHBondContact O-CG 3.33Å; F53-K57 PolarHBondContact O-N 3.15Å; E54-K57 VanDerWaalsContact CD-NZ 3.26Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.28Å; E54-K57 IonicContact OE2-NZ 2.92Å; E54-K57 PolarHBondContact OE2-NZ 2.99Å; D55-K57 VanDerWaalsContact C-N 3.31Å; D55-K57 PolarHBondContact O-N 2.98Å; K57-S60 PolarHBondContact O-N 3.14Å; K57-A61 WeakPolarHBondContact O-CB 3.33Å; K57-A61 PolarHBondContact O-N 3.38Å
58A96.7Very high95.4Very high27 Ų2750.9 Ų50.922%0.22328%0.284CS..Hα-helixtrans-63.4-50.3-177.700000111.9Y20 E54 D55 S60 A61 H62Y20-A58 WeakPolarHBondContact OH-CB 3.31Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.34Å; D55-A58 PolarHBondContact O-N 2.77Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.92Å; A58-A61 WeakPolarHBondContact O-CB 3.23Å; A58-A61 PolarHBondContact O-N 3.39Å; A58-A61 VanDerWaalsContact O-N 3.14Å; A58-H62 PolarHBondContact O-CD2 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å
59I96.6Very high95.3Very high0 Ų050.8 Ų50.80%028%0.284CS..Hα-helixtrans-60.4-45.2177.8-67169.5000110.3I15 Y20 Y23 F27 V40 L45 I50 D55 A61 H62 V63I15-I59 HydrophobicContact CD1-CG2 4.42Å; Y20-I59 HydrophobicContact CD2-CD1 4.31Å; Y20-I59 HydrophobicContact CD2-CG1 3.93Å; Y20-I59 HydrophobicContact CE2-CG1 3.95Å; Y20-I59 HydrophobicContact CG-CD1 4.26Å; Y20-I59 HydrophobicContact CG-CG1 4.37Å; Y23-I59 HydrophobicContact CD2-CD1 3.84Å; Y23-I59 HydrophobicContact CE2-CD1 4.22Å; F27-I59 HydrophobicContact CZ-CG2 4.28Å; V40-I59 HydrophobicContact CG1-CG2 4.4Å; L45-I59 HydrophobicContact CD1-CB 4.39Å; L45-I59 HydrophobicContact CD1-CG2 4.29Å; L45-I59 HydrophobicContact CD2-CG2 4.07Å; I50-I59 HydrophobicContact CD1-CD1 4.26Å; I50-I59 HydrophobicContact CG2-CD1 4.31Å; D55-I59 WeakPolarHBondContact O-CB 3.49Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.22Å; D55-I59 PolarHBondContact O-N 2.82Å; I59-A61 VanDerWaalsContact C-N 3.27Å; I59-A61 PolarHBondContact O-N 3.24Å; I59-H62 PolarHBondContact O-N 2.94Å; I59-V63 HydrophobicContact CG2-CG2 4.4Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 3.18Å
60S95.3Very high95.1Very high1 Ų151.9 Ų51.91%0.00729%0.285CS..Hα-helixtrans-62.6-35178.2-63.70000112.5C42 L45 M56 K57 A58 R64C42-S60 PolarHBondContact N-OG 3.35Å; C42-S60 VanDerWaalsContact N-OG 3.15Å; C42-S60 PolarHBondContact SG-OG 3.39Å; L45-S60 VanDerWaalsContact CD1-OG 3.26Å; L45-S60 WeakPolarHBondContact CD1-OG 3.34Å; M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 2.61Å; M56-S60 PolarHBondContact O-OG 3.38Å; K57-S60 PolarHBondContact O-N 3.14Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.92Å; S60-R64 WeakPolarHBondContact O-CG 3.41Å; S60-R64 PolarHBondContact O-N 3.19Å; S60-R64 VanDerWaalsContact O-N 3.14Å; S60-R64 PolarHBondContact O-NH1 3.08Å
61A95.3Very high94.6Very high41 Ų4157.9 Ų57.934%0.33931%0.313SS..Hα-helixtrans-67.4-47.2175.800000111.4K57 A58 I59 V63 R64 E65K57-A61 WeakPolarHBondContact O-CB 3.33Å; K57-A61 PolarHBondContact O-N 3.38Å; A58-A61 WeakPolarHBondContact O-CB 3.23Å; A58-A61 PolarHBondContact O-N 3.39Å; A58-A61 VanDerWaalsContact O-N 3.14Å; I59-A61 VanDerWaalsContact C-N 3.27Å; I59-A61 PolarHBondContact O-N 3.24Å; A61-V63 VanDerWaalsContact C-N 3.3Å; A61-V63 PolarHBondContact O-N 2.72Å; A61-R64 WeakPolarHBondContact O-CB 3.29Å; A61-R64 PolarHBondContact O-N 3.29Å; A61-R64 VanDerWaalsContact O-N 3.08Å; A61-E65 PolarHBondContact O-N 2.99Å
62H96.7Very high93.9Very high61 Ų6157.3 Ų57.328%0.28231%0.311SS..Hα-helixtrans-62.5-35.4175.8-72.4-55.2000113.1W14 L18 A58 I59 E65 L66W14-H62 HydrophobicContact CH2-CB 4.3Å; W14-H62 HydrophobicContact CZ2-CB 3.97Å; L18-H62 HydrophobicContact CD1-CB 3.77Å; L18-H62 HydrophobicContact CD2-CB 4.21Å; A58-H62 PolarHBondContact O-CD2 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å; I59-H62 PolarHBondContact O-N 2.94Å; H62-E65 IonicContact ND1-OE2 3.72Å; H62-E65 PolarHBondContact ND1-OE2 2.93Å; H62-E65 PolarHBondContact O-N 3Å; H62-L66 WeakPolarHBondContact O-CB 3.27Å; H62-L66 PolarHBondContact O-N 3.36Å
63V95.9Very high93.3Very high4 Ų459.5 Ų59.52%0.02432%0.322CS..Hα-helixtrans-61.2-46.4171.7170.10000110.5W14 L37 V40 I59 A61 E65 L66 L67W14-V63 HydrophobicContact CH2-CB 4.47Å; W14-V63 HydrophobicContact CH2-CG2 3.71Å; W14-V63 HydrophobicContact CZ3-CG2 4.11Å; L37-V63 VanDerWaalsContact O-CG1 3.28Å; L37-V63 WeakPolarHBondContact O-CG1 3.47Å; V40-V63 HydrophobicContact CB-CG2 4.18Å; V40-V63 HydrophobicContact CG1-CG2 4Å; I59-V63 HydrophobicContact CG2-CG2 4.4Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 3.18Å; A61-V63 VanDerWaalsContact C-N 3.3Å; A61-V63 PolarHBondContact O-N 2.72Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 3.11Å; V63-L66 PolarHBondContact O-N 2.66Å; V63-L67 HydrophobicContact CG1-CD1 3.66Å; V63-L67 HydrophobicContact CG1-CG 4.24Å; V63-L67 WeakPolarHBondContact O-CB 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 2.97Å
64R94.7Very high92.6Very high53 Ų5365.2 Ų65.220%0.234%0.34CS..Hα-helixtrans-60.8-42.9178-72.7-169.8-63-79.416.6112S60 A61 L67 G68 T69 E71S60-R64 WeakPolarHBondContact O-CG 3.41Å; S60-R64 PolarHBondContact O-N 3.19Å; S60-R64 VanDerWaalsContact O-N 3.14Å; S60-R64 PolarHBondContact O-NH1 3.08Å; A61-R64 WeakPolarHBondContact O-CB 3.29Å; A61-R64 PolarHBondContact O-N 3.29Å; A61-R64 VanDerWaalsContact O-N 3.08Å; R64-L67 PolarHBondContact O-N 3.37Å; R64-G68 PolarHBondContact O-N 3.44Å; R64-T69 PolarHBondContact O-N 3.37Å; R64-E71 IonicContact CZ-OE1 2.77Å; R64-E71 IonicContact NH2-OE1 2.61Å; R64-E71 PolarHBondContact NH2-OE1 3.14Å
65E95Very high92.2Very high149 Ų14963.7 Ų63.770%0.69634%0.341SS*.Hα-helixtrans-60.4-49.5176.3-174.7-178.2-169.800111.6A61 H62 V63 L67 G68A61-E65 PolarHBondContact O-N 2.99Å; H62-E65 IonicContact ND1-OE2 3.72Å; H62-E65 PolarHBondContact ND1-OE2 2.93Å; H62-E65 PolarHBondContact O-N 3Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 3.11Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.34Å; E65-G68 PolarHBondContact O-N 2.9Å
66L95.5Very high91.7Very high47 Ų4766.6 Ų66.625%0.24635%0.35CS..Hα-helixtrans-60.8-39.9179178.964.9000112.5F3 W6 W14 L37 H62 V63 G68F3-L66 HydrophobicContact CB-CD1 4.28Å; F3-L66 HydrophobicContact CB-CD2 4.26Å; F3-L66 HydrophobicContact CB-CG 4.33Å; F3-L66 HydrophobicContact CD1-CD1 4.26Å; F3-L66 HydrophobicContact CD1-CG 4.24Å; F3-L66 WeakPolarHBondContact CE1-O 3.45Å; F3-L66 HydrophobicContact CG-CG 4.36Å; W6-L66 HydrophobicContact CE3-CD2 4.46Å; W6-L66 HydrophobicContact CH2-CD1 3.93Å; W6-L66 HydrophobicContact CH2-CD2 3.92Å; W6-L66 HydrophobicContact CZ3-CD1 4.46Å; W6-L66 HydrophobicContact CZ3-CD2 3.61Å; W14-L66 HydrophobicContact CD2-CD2 4.23Å; W14-L66 HydrophobicContact CE3-CD2 4.44Å; W14-L66 HydrophobicContact CH2-CD2 4.02Å; W14-L66 HydrophobicContact CZ2-CB 4.08Å; W14-L66 HydrophobicContact CZ2-CD2 3.76Å; W14-L66 HydrophobicContact CZ3-CD2 4.35Å; L37-L66 HydrophobicContact CD1-CD2 3.65Å; H62-L66 WeakPolarHBondContact O-CB 3.27Å; H62-L66 PolarHBondContact O-N 3.36Å; V63-L66 PolarHBondContact O-N 2.66Å; L66-G68 VanDerWaalsContact C-N 3.34Å
67L93.4Very high91.3Very high10 Ų1068.5 Ų68.55%0.05237%0.365CS..Hα-helixtrans-81.3-15.2-179.1-62.3-179.7000113F3 L37 I38 V63 R64 E65 T69 L90F3-L67 HydrophobicContact CD2-CD2 3.81Å; F3-L67 HydrophobicContact CE1-CD2 4.25Å; F3-L67 HydrophobicContact CE2-CD2 3.27Å; F3-L67 HydrophobicContact CZ-CD2 3.54Å; L37-L67 HydrophobicContact CB-CD2 4.33Å; I38-L67 HydrophobicContact CB-CD1 4.21Å; I38-L67 HydrophobicContact CD1-CD1 3.81Å; V63-L67 HydrophobicContact CG1-CD1 3.66Å; V63-L67 HydrophobicContact CG1-CG 4.24Å; V63-L67 WeakPolarHBondContact O-CB 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 2.97Å; R64-L67 PolarHBondContact O-N 3.37Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.34Å; L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 HydrophobicContact CB-CG2 3.95Å; L67-L90 HydrophobicContact CB-CD1 3.84Å; L67-L90 HydrophobicContact CD2-CD1 4.18Å; L67-L90 HydrophobicContact CG-CD1 4.41Å
68G92.8Very high90.9Very high53 Ų5372.3 Ų72.355%0.54639%0.387SS..THydrogen-bonded Turntrans6531.5-173.400000113R64 E65 L66R64-G68 PolarHBondContact O-N 3.44Å; E65-G68 PolarHBondContact O-N 2.9Å; L66-G68 VanDerWaalsContact C-N 3.34Å
69T91.7Very high90.6Very high20 Ų2075.1 Ų75.112%0.12341%0.411CS..PPolyproline II helixtrans-98.6145.9178.456.60000111.1I38 R64 L67 D84 M86 L90I38-T69 HydrophobicContact CD1-CG2 4.33Å; R64-T69 PolarHBondContact O-N 3.37Å; L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 HydrophobicContact CB-CG2 3.95Å; T69-D84 WeakPolarHBondContact CA-OD2 3.29Å; T69-M86 HydrophobicContact CG2-CB 4.28Å; T69-M86 HydrophobicContact CG2-CG 4.05Å; T69-L90 HydrophobicContact CG2-CD1 4.06Å
70S88.3Confident90.1Very high70 Ų7079.1 Ų79.149%0.4943%0.432SS..PPolyproline II helixtrans-69.4153.5176.563.60000113.2D84S70-D84 PolarHBondContact N-OD2 2.98Å; S70-D84 WeakPolarHBondContact OG-CB 3.45Å; S70-D84 PolarHBondContact OG-OD2 2.92Å
71E85.8Confident89.7Confident125 Ų12582.4 Ų82.458%0.58445%0.454SS*.PPolyproline II helixtrans-67.6133.2168.4-179161.6-123.200110.4R64 L73R64-E71 IonicContact CZ-OE1 2.77Å; R64-E71 IonicContact NH2-OE1 2.61Å; R64-E71 PolarHBondContact NH2-OE1 3.14Å; E71-L73 PolarHBondContact O-N 3.43Å
72P81.3Confident89.2Confident94 Ų9484.7 Ų84.761%0.6147%0.465SS*.PPolyproline II helixtrans-64.1122.6174.924.7-33.5000110.5
73L83.4Confident88.7Confident123 Ų12385.1 Ų85.164%0.64446%0.464SS*.PPolyproline II helixtrans-73.8134.6175-62174.6000110.4E71 S75 R76E71-L73 PolarHBondContact O-N 3.43Å; L73-S75 PolarHBondContact O-N 2.62Å; L73-R76 VanDerWaalsContact O-CB 3.29Å; L73-R76 WeakPolarHBondContact O-CB 3.44Å; L73-R76 PolarHBondContact O-N 3.08Å
74W81.8Confident88.5Confident249 Ų24987.1 Ų87.194%0.94348%0.475SS*.THydrogen-bonded Turntrans-62.5-27175.369.6-93.9000112.6
75S87.3Confident88.3Confident76 Ų7686.5 Ų86.553%0.53148%0.479SS..THydrogen-bonded Turntrans-91.59.4-179.556.30000113.9L73L73-S75 PolarHBondContact O-N 2.62Å
76R86.3Confident88.2Confident92 Ų9281.1 Ų81.135%0.34745%0.454SS..  trans-61.6137.1179.3-169.9-172.476.583.59.1110.7L73 D80 P81L73-R76 VanDerWaalsContact O-CB 3.29Å; L73-R76 WeakPolarHBondContact O-CB 3.44Å; L73-R76 PolarHBondContact O-N 3.08Å; R76-D80 HydrophobicContact CG-CB 4.18Å; R76-D80 PolarHBondContact NH1-O 3.25Å; R76-P81 PolarHBondContact NH1-O 2.79Å
77S88.8Confident88Confident56 Ų5678.9 Ų78.939%0.39244%0.442SS..  trans-68.6144.6174.1-176.60000110.8A79 D80S77-A79 PolarHBondContact O-N 2.99Å; S77-A79 PolarHBondContact OG-N 3.2Å; S77-D80 VanDerWaalsContact CB-OD2 3.29Å; S77-D80 WeakPolarHBondContact CB-OD2 3.47Å; S77-D80 PolarHBondContact N-OD2 3.01Å; S77-D80 PolarHBondContact O-N 3.26Å
78I86.1Confident87.9Confident167 Ų16779.9 Ų79.986%0.85645%0.448SS*.THydrogen-bonded Turntrans-65.5-20.6170.462.8174.2000112.3D80I78-D80 VanDerWaalsContact C-N 3.34Å
79A90.8Very high88Confident87 Ų8777.4 Ų77.472%0.71942%0.422SS*.THydrogen-bonded Turntrans-76.8-22.1176.200000112.7S77S77-A79 PolarHBondContact O-N 2.99Å; S77-A79 PolarHBondContact OG-N 3.2Å
80D87.1Confident88Confident83 Ų8376.7 Ų76.744%0.44442%0.417SS..SBendtrans-73.9158.7177.5-64.2-38.3000110.7R76 S77 I78R76-D80 HydrophobicContact CG-CB 4.18Å; R76-D80 PolarHBondContact NH1-O 3.25Å; S77-D80 VanDerWaalsContact CB-OD2 3.29Å; S77-D80 WeakPolarHBondContact CB-OD2 3.47Å; S77-D80 PolarHBondContact N-OD2 3.01Å; S77-D80 PolarHBondContact O-N 3.26Å; I78-D80 VanDerWaalsContact C-N 3.34Å
81P86.4Confident88.2Confident70 Ų7076.8 Ų76.846%0.45541%0.41SS..  trans-60.8142.1169.9-22.833.9000112.1R76 R83 L88R76-P81 PolarHBondContact NH1-O 2.79Å; P81-R83 PolarHBondContact O-N 2.94Å; P81-R83 VanDerWaalsContact O-N 3.11Å; P81-L88 HydrophobicContact CB-CD1 3.92Å
82P84.3Confident88.5Confident90 Ų9074.9 Ų74.958%0.58440%0.4SS*.SBendtrans-65.1-17.8-173.826.4-35.6000114.3
83R87.1Confident88.9Confident69 Ų6971.9 Ų71.926%0.2638%0.377SS..SBendtrans-134.9159.5178.2-64.1-179.2-178.5-111.210.2109.7I38 P81 L88I38-R83 VanDerWaalsContact CD1-NH1 3.28Å; I38-R83 PolarHBondContact O-NH1 3.45Å; I38-R83 PolarHBondContact O-NH2 3.14Å; P81-R83 PolarHBondContact O-N 2.94Å; P81-R83 VanDerWaalsContact O-N 3.11Å; R83-L88 HydrophobicContact CB-CD2 4.28Å; R83-L88 HydrophobicContact CB-CG 4.18Å
84D89.9Confident89.3Confident46 Ų4666.8 Ų66.825%0.24635%0.352CS..  trans-65.4171.5169.765.5-14.2000112.2T69 S70 M86 G87 L88T69-D84 WeakPolarHBondContact CA-OD2 3.29Å; S70-D84 PolarHBondContact N-OD2 2.98Å; S70-D84 WeakPolarHBondContact OG-CB 3.45Å; S70-D84 PolarHBondContact OG-OD2 2.92Å; D84-M86 PolarHBondContact O-N 3.49Å; D84-G87 PolarHBondContact O-N 3.21Å; D84-G87 VanDerWaalsContact O-N 3.17Å; D84-G87 WeakPolarHBondContact OD1-CA 3.46Å; D84-G87 PolarHBondContact OD1-N 2.73Å; D84-L88 WeakPolarHBondContact O-CG 3.35Å; D84-L88 PolarHBondContact O-N 3.03Å
85S91.4Very high89.7Confident40 Ų4063.1 Ų63.128%0.2834%0.338SS..Hα-helixtrans-58.1-36.4-179.3-68.80000112.7F89 F108 K112S85-F89 WeakPolarHBondContact O-CB 3.45Å; S85-F89 PolarHBondContact O-N 3.42Å; S85-F108 VanDerWaalsContact O-CE1 3.26Å; S85-F108 WeakPolarHBondContact O-CE1 3.47Å; S85-K112 PolarHBondContact OG-NZ 3.03Å
86M92.1Very high89.6Confident36 Ų3665.5 Ų65.518%0.17735%0.349CS..Hα-helixtrans-67-47.3175.5-174.755.567.400111.3M1 T69 D84 L88 F89 L90 Y105M1-M86 HydrophobicContact CE-CE 4.26Å; M1-M86 HydrophobicContact CE-SD 4.08Å; T69-M86 HydrophobicContact CG2-CB 4.28Å; T69-M86 HydrophobicContact CG2-CG 4.05Å; D84-M86 PolarHBondContact O-N 3.49Å; M86-L88 PolarHBondContact O-N 3.01Å; M86-F89 WeakPolarHBondContact O-CB 3.38Å; M86-F89 PolarHBondContact O-N 3.09Å; M86-F89 HydrophobicContact SD-CD1 3.95Å; M86-L90 HydrophobicContact CG-CD1 3.85Å; M86-L90 HydrophobicContact CG-CG 4.31Å; M86-L90 WeakPolarHBondContact O-CB 3.32Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.38Å; M86-L90 PolarHBondContact O-N 2.81Å; M86-L90 HydrophobicContact SD-CD1 4.08Å; M86-L90 HydrophobicContact SD-CD2 4.48Å; M86-L90 HydrophobicContact SD-CG 4.03Å; M86-Y105 HydrophobicContact CE-CD1 4.48Å; M86-Y105 HydrophobicContact CE-CD2 4.19Å; M86-Y105 HydrophobicContact CE-CE1 4.23Å; M86-Y105 HydrophobicContact CE-CE2 3.94Å; M86-Y105 HydrophobicContact CE-CG 4.46Å; M86-Y105 HydrophobicContact SD-CD2 4.47Å; M86-Y105 HydrophobicContact SD-CE2 4.37Å
87G92.3Very high89.7Confident0 Ų062.7 Ų62.70%035%0.349CS..Hα-helixtrans-61.6-41.6178.700000112.9D84 L90 E91D84-G87 PolarHBondContact O-N 3.21Å; D84-G87 VanDerWaalsContact O-N 3.17Å; D84-G87 WeakPolarHBondContact OD1-CA 3.46Å; D84-G87 PolarHBondContact OD1-N 2.73Å; G87-L90 PolarHBondContact O-N 3.16Å; G87-E91 WeakPolarHBondContact O-CB 3.48Å; G87-E91 PolarHBondContact O-N 3.38Å
88L92.3Very high89.6Confident32 Ų3267 Ų6717%0.16837%0.367CS..Hα-helixtrans-65.1-37.5175.1-68.8172000112.5P81 R83 D84 M86 K92 F108P81-L88 HydrophobicContact CB-CD1 3.92Å; R83-L88 HydrophobicContact CB-CD2 4.28Å; R83-L88 HydrophobicContact CB-CG 4.18Å; D84-L88 WeakPolarHBondContact O-CG 3.35Å; D84-L88 PolarHBondContact O-N 3.03Å; M86-L88 PolarHBondContact O-N 3.01Å; L88-K92 PolarHBondContact O-N 3.06Å; L88-F108 HydrophobicContact CB-CE2 4.13Å; L88-F108 HydrophobicContact CB-CZ 3.6Å; L88-F108 HydrophobicContact CD1-CZ 4.46Å
89F92.9Very high89.7Confident1 Ų164.9 Ų64.90%0.00435%0.349CS..Hα-helixtrans-65.3-48.5173.9164.1-105.6000111.3M1 S85 M86 E91 K92 K93 F103 T104 Y105 F108M1-F89 HydrophobicContact CE-CD1 4.22Å; M1-F89 HydrophobicContact CE-CE1 3.5Å; M1-F89 HydrophobicContact CE-CZ 4.33Å; M1-F89 HydrophobicContact SD-CE1 3.81Å; M1-F89 HydrophobicContact SD-CZ 4.39Å; S85-F89 WeakPolarHBondContact O-CB 3.45Å; S85-F89 PolarHBondContact O-N 3.42Å; M86-F89 WeakPolarHBondContact O-CB 3.38Å; M86-F89 PolarHBondContact O-N 3.09Å; M86-F89 HydrophobicContact SD-CD1 3.95Å; F89-E91 VanDerWaalsContact C-N 3.29Å; F89-E91 PolarHBondContact O-N 2.87Å; F89-K92 PolarHBondContact O-N 3.42Å; F89-K92 VanDerWaalsContact O-N 3.14Å; F89-K93 HydrophobicContact CE1-CD 3.85Å; F89-K93 HydrophobicContact CE2-CD 4.1Å; F89-K93 HydrophobicContact CZ-CB 4.44Å; F89-K93 HydrophobicContact CZ-CD 3.38Å; F89-K93 PolarHBondContact O-N 3.16Å; F89-F103 AromaticContact CD2-CD1 3.93Å; F89-F103 HydrophobicContact CD2-CD1 3.93Å; F89-F103 AromaticContact CD2-CE1 3.74Å; F89-F103 HydrophobicContact CD2-CE1 3.74Å; F89-F103 AromaticContact CE2-CD1 3.74Å; F89-F103 HydrophobicContact CE2-CD1 3.74Å; F89-F103 HydrophobicContact CE2-CE1 4.01Å; F89-T104 WeakPolarHBondContact CE2-O 3.31Å; F89-Y105 HydrophobicContact CB-CD2 3.79Å; F89-Y105 HydrophobicContact CB-CE2 4.04Å; F89-Y105 AromaticContact CD1-CD2 3.74Å; F89-Y105 HydrophobicContact CD1-CD2 3.74Å; F89-Y105 HydrophobicContact CD2-CD2 4.05Å; F89-Y105 HydrophobicContact CE1-CD2 4.34Å; F89-Y105 AromaticContact CG-CD2 3.57Å; F89-Y105 HydrophobicContact CG-CD2 3.57Å; F89-Y105 HydrophobicContact CG-CE2 4.31Å; F89-F108 HydrophobicContact CB-CB 4.47Å; F89-F108 HydrophobicContact CB-CD1 3.95Å; F89-F108 HydrophobicContact CB-CD2 4.13Å; F89-F108 HydrophobicContact CB-CE1 4.21Å; F89-F108 HydrophobicContact CB-CE2 4.37Å; F89-F108 HydrophobicContact CB-CG 3.92Å; F89-F108 HydrophobicContact CB-CZ 4.42Å; F89-F108 HydrophobicContact CD2-CB 3.76Å; F89-F108 HydrophobicContact CD2-CD2 4.42Å; F89-F108 HydrophobicContact CD2-CG 4.08Å; F89-F108 HydrophobicContact CG-CG 4.46Å
90L93.5Very high89.5Confident4 Ų460.9 Ų60.92%0.02132%0.316CS..Hα-helixtrans-65.7-31.7-178.9-69.2173.5000112.4F3 L4 I38 L67 T69 M86 G87 K93 S94F3-L90 HydrophobicContact CE2-CD2 4.25Å; F3-L90 HydrophobicContact CZ-CD1 4.44Å; F3-L90 HydrophobicContact CZ-CD2 4.01Å; L4-L90 HydrophobicContact CD2-CD2 4.32Å; I38-L90 HydrophobicContact CB-CB 4.49Å; I38-L90 HydrophobicContact CD1-CB 3.9Å; I38-L90 HydrophobicContact CD1-CD1 4.29Å; I38-L90 HydrophobicContact CG1-CB 4.05Å; L67-L90 HydrophobicContact CB-CD1 3.84Å; L67-L90 HydrophobicContact CD2-CD1 4.18Å; L67-L90 HydrophobicContact CG-CD1 4.41Å; T69-L90 HydrophobicContact CG2-CD1 4.06Å; M86-L90 HydrophobicContact CG-CD1 3.85Å; M86-L90 HydrophobicContact CG-CG 4.31Å; M86-L90 WeakPolarHBondContact O-CB 3.32Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.38Å; M86-L90 PolarHBondContact O-N 2.81Å; M86-L90 HydrophobicContact SD-CD1 4.08Å; M86-L90 HydrophobicContact SD-CD2 4.48Å; M86-L90 HydrophobicContact SD-CG 4.03Å; G87-L90 PolarHBondContact O-N 3.16Å; L90-K93 CarbonylContact O-C 3.48Å; L90-K93 PolarHBondContact O-N 3.22Å; L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 3.12Å
91E92.3Very high89.5Confident73 Ų7360.8 Ų60.834%0.34132%0.315SS..Hα-helixtrans-63.7-39.7172.7-175.5171-164.800112G87 F89 S94G87-E91 WeakPolarHBondContact O-CB 3.48Å; G87-E91 PolarHBondContact O-N 3.38Å; F89-E91 VanDerWaalsContact C-N 3.29Å; F89-E91 PolarHBondContact O-N 2.87Å; E91-S94 PolarHBondContact O-OG 3.19Å
92K91.1Very high89.5Confident85 Ų8561.1 Ų61.137%0.3732%0.319SS..Hα-helixtrans-68.5-40.1172.2-67.6178.5-178-1780111.4L88 F89 S94 F103 F108L88-K92 PolarHBondContact O-N 3.06Å; F89-K92 PolarHBondContact O-N 3.42Å; F89-K92 VanDerWaalsContact O-N 3.14Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 2.93Å; K92-F103 HydrophobicContact CB-CD1 4.36Å; K92-F103 HydrophobicContact CB-CE1 4.14Å; K92-F103 HydrophobicContact CD-CE1 4.01Å; K92-F103 HydrophobicContact CD-CZ 4.39Å; K92-F108 HydrophobicContact CD-CD2 4.13Å; K92-F108 HydrophobicContact CD-CE2 4.1Å
93K90.9Very high89.7Confident31 Ų3156.9 Ų56.914%0.13529%0.292CS..Hα-helixtrans-75.3-12.2-179.1-165.1150.9-167154.10114.1L4 F89 L90 R95 F103L4-K93 HydrophobicContact CD1-CD 3.62Å; L4-K93 HydrophobicContact CD1-CG 4.03Å; L4-K93 HydrophobicContact CD2-CG 4.47Å; F89-K93 HydrophobicContact CE1-CD 3.85Å; F89-K93 HydrophobicContact CE2-CD 4.1Å; F89-K93 HydrophobicContact CZ-CB 4.44Å; F89-K93 HydrophobicContact CZ-CD 3.38Å; F89-K93 PolarHBondContact O-N 3.16Å; L90-K93 CarbonylContact O-C 3.48Å; L90-K93 PolarHBondContact O-N 3.22Å; K93-R95 PolarHBondContact O-N 3.17Å; K93-F103 PolarHBondContact NZ-O 3.12Å
94S91.2Very high89.9Confident16 Ų1656.2 Ų56.211%0.11230%0.295CS..THydrogen-bonded Turntrans-69.2-21.8177.280.10000112.5K35 Y39 L90 E91 K92K35-S94 VanDerWaalsContact O-CB 3.22Å; K35-S94 WeakPolarHBondContact O-CB 3.26Å; Y39-S94 WeakPolarHBondContact CE2-OG 3.4Å; Y39-S94 PolarHBondContact OH-OG 3.15Å; L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 3.12Å; E91-S94 PolarHBondContact O-OG 3.19Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 2.93Å
95R90.1Very high89.7Confident172 Ų17257.4 Ų57.465%0.64930%0.297SS*.SBendtrans-72.7153.5178.7-65178.6171.9165.2-1.9110.6K93 A100K93-R95 PolarHBondContact O-N 3.17Å; R95-A100 HydrophobicContact CB-CB 4.16Å; R95-A100 WeakPolarHBondContact O-CB 3.45Å
96T85.5Confident89.6Confident125 Ų12559.9 Ų59.977%0.76731%0.31SS*.  trans-97.9145.4174.650.90000110.4
97G87.9Confident89.4Confident33 Ų3362.1 Ų62.134%0.3432%0.32SS..SBendtrans131.6155176.200000111.7W99 A100 D101G97-W99 PolarHBondContact O-N 2.91Å; G97-A100 PolarHBondContact O-N 3.26Å; G97-D101 PolarHBondContact O-N 2.78Å
98D87Confident89.3Confident147 Ų14762.3 Ų62.379%0.78632%0.321SS*.Hα-helixtrans-51.3-38.5-170.6-58.3-14.7000113.4S102D98-S102 WeakPolarHBondContact O-CB 3.39Å; D98-S102 PolarHBondContact O-N 3.46Å; D98-S102 PolarHBondContact O-OG 3.18Å
99W87.8Confident89.2Confident123 Ų12364.2 Ų64.247%0.46633%0.331SS..Hα-helixtrans-64.3-48.6176.4179.583.4000112.5G97 D101 S102 F103G97-W99 PolarHBondContact O-N 2.91Å; W99-D101 VanDerWaalsContact C-N 3.33Å; W99-S102 PolarHBondContact O-OG 2.97Å; W99-F103 HydrophobicContact CH2-CD1 4.5Å; W99-F103 HydrophobicContact CH2-CD2 4.46Å; W99-F103 HydrophobicContact CH2-CG 4.39Å; W99-F103 HydrophobicContact CZ2-CD2 4.11Å; W99-F103 HydrophobicContact CZ2-CE2 4.3Å; W99-F103 HydrophobicContact CZ2-CG 4.44Å; W99-F103 WeakPolarHBondContact O-CB 3.4Å; W99-F103 PolarHBondContact O-N 3.42Å; W99-F103 VanDerWaalsContact O-N 3.09Å
100A87.2Confident88.9Confident3 Ų369.5 Ų69.53%0.02536%0.359CS..Hα-helixtrans-70.7-33.7-178.100000111.6R95 G97 F103R95-A100 HydrophobicContact CB-CB 4.16Å; R95-A100 WeakPolarHBondContact O-CB 3.45Å; G97-A100 PolarHBondContact O-N 3.26Å; A100-F103 PolarHBondContact O-N 3.36Å
101D85.9Confident88.2Confident80 Ų8076.7 Ų76.743%0.42839%0.386SS..Hα-helixtrans-70.6-40.9179.1-69.1-36.4000111.9K35 G97 W99 F103K35-D101 IonicContact NZ-OD1 3.49Å; K35-D101 PolarHBondContact NZ-OD1 3.07Å; G97-D101 PolarHBondContact O-N 2.78Å; W99-D101 VanDerWaalsContact C-N 3.33Å; D101-F103 VanDerWaalsContact C-N 3.32Å
102S87.8Confident86.9Confident77 Ų7778.3 Ų78.354%0.53839%0.392SS..Hα-helixtrans-75.9-15.7174.459.90000114.1D98 W99 T104D98-S102 WeakPolarHBondContact O-CB 3.39Å; D98-S102 PolarHBondContact O-N 3.46Å; D98-S102 PolarHBondContact O-OG 3.18Å; W99-S102 PolarHBondContact O-OG 2.97Å; S102-T104 PolarHBondContact O-N 2.92Å
103F87.9Confident84.9Confident2 Ų285.3 Ų85.31%0.00943%0.426CS..  trans-67.1118.7-176.6-167.9-123.4000112.3F89 K92 K93 W99 A100 D101 Q107 F108F89-F103 AromaticContact CD2-CD1 3.93Å; F89-F103 HydrophobicContact CD2-CD1 3.93Å; F89-F103 AromaticContact CD2-CE1 3.74Å; F89-F103 HydrophobicContact CD2-CE1 3.74Å; F89-F103 AromaticContact CE2-CD1 3.74Å; F89-F103 HydrophobicContact CE2-CD1 3.74Å; F89-F103 HydrophobicContact CE2-CE1 4.01Å; K92-F103 HydrophobicContact CB-CD1 4.36Å; K92-F103 HydrophobicContact CB-CE1 4.14Å; K92-F103 HydrophobicContact CD-CE1 4.01Å; K92-F103 HydrophobicContact CD-CZ 4.39Å; K93-F103 PolarHBondContact NZ-O 3.12Å; W99-F103 HydrophobicContact CH2-CD1 4.5Å; W99-F103 HydrophobicContact CH2-CD2 4.46Å; W99-F103 HydrophobicContact CH2-CG 4.39Å; W99-F103 HydrophobicContact CZ2-CD2 4.11Å; W99-F103 HydrophobicContact CZ2-CE2 4.3Å; W99-F103 HydrophobicContact CZ2-CG 4.44Å; W99-F103 WeakPolarHBondContact O-CB 3.4Å; W99-F103 PolarHBondContact O-N 3.42Å; W99-F103 VanDerWaalsContact O-N 3.09Å; A100-F103 PolarHBondContact O-N 3.36Å; D101-F103 VanDerWaalsContact C-N 3.32Å; F103-Q107 HydrophobicContact CD2-CB 4.34Å; F103-Q107 HydrophobicContact CE2-CB 4.1Å; F103-F108 HydrophobicContact CE1-CB 3.85Å; F103-F108 AromaticContact CE1-CD2 3.91Å; F103-F108 HydrophobicContact CE1-CD2 3.91Å; F103-F108 HydrophobicContact CE1-CG 4.34Å; F103-F108 HydrophobicContact CZ-CB 3.6Å; F103-F108 AromaticContact CZ-CD2 3.89Å; F103-F108 HydrophobicContact CZ-CD2 3.89Å; F103-F108 HydrophobicContact CZ-CG 4.25Å
104T90.2Very high84.6Confident54 Ų5488 Ų8833%0.33144%0.44SS..  trans-101.1159.7-179.4700000112.4F89 S102 T106 Q107 F108F89-T104 WeakPolarHBondContact CE2-O 3.31Å; S102-T104 PolarHBondContact O-N 2.92Å; T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.27Å; T104-T106 PolarHBondContact OG1-OG1 3.01Å; T104-Q107 PolarHBondContact O-N 3.45Å; T104-Q107 VanDerWaalsContact OG1-CG 3.27Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.27Å; T104-Q107 PolarHBondContact OG1-N 3.5Å; T104-F108 PolarHBondContact O-N 3.36Å; T104-F108 VanDerWaalsContact O-N 3.15Å
105Y87.6Confident84.2Confident72 Ų7291.8 Ų91.828%0.28246%0.458SS..Hα-helixtrans-65.6-34.4177.1-173.4-117.9000112.1M86 F89 F108 L109M86-Y105 HydrophobicContact CE-CD1 4.48Å; M86-Y105 HydrophobicContact CE-CD2 4.19Å; M86-Y105 HydrophobicContact CE-CE1 4.23Å; M86-Y105 HydrophobicContact CE-CE2 3.94Å; M86-Y105 HydrophobicContact CE-CG 4.46Å; M86-Y105 HydrophobicContact SD-CD2 4.47Å; M86-Y105 HydrophobicContact SD-CE2 4.37Å; F89-Y105 HydrophobicContact CB-CD2 3.79Å; F89-Y105 HydrophobicContact CB-CE2 4.04Å; F89-Y105 AromaticContact CD1-CD2 3.74Å; F89-Y105 HydrophobicContact CD1-CD2 3.74Å; F89-Y105 HydrophobicContact CD2-CD2 4.05Å; F89-Y105 HydrophobicContact CE1-CD2 4.34Å; F89-Y105 AromaticContact CG-CD2 3.57Å; F89-Y105 HydrophobicContact CG-CD2 3.57Å; F89-Y105 HydrophobicContact CG-CE2 4.31Å; Y105-F108 HydrophobicContact CD2-CD1 4.36Å; Y105-F108 HydrophobicContact CE2-CD1 4.17Å; Y105-F108 WeakPolarHBondContact O-CB 3.37Å; Y105-F108 PolarHBondContact O-N 3.29Å; Y105-F108 VanDerWaalsContact O-N 3.16Å; Y105-L109 HydrophobicContact CD1-CD1 4.11Å; Y105-L109 HydrophobicContact CD1-CG 4.48Å; Y105-L109 HydrophobicContact CE1-CD1 3.71Å; Y105-L109 HydrophobicContact CE1-CD2 4.39Å; Y105-L109 HydrophobicContact CE1-CG 4.15Å; Y105-L109 HydrophobicContact CE2-CD2 4.38Å; Y105-L109 WeakPolarHBondContact O-CG 3.28Å; Y105-L109 PolarHBondContact O-N 3.08Å; Y105-L109 VanDerWaalsContact O-N 3.08Å
106T88.6Confident83.9Confident92 Ų9287.3 Ų87.356%0.56445%0.447SS*.Hα-helixtrans-61.7-48.1175.451.10000111.5T104 F108 L109 D110T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.27Å; T104-T106 PolarHBondContact OG1-OG1 3.01Å; T106-F108 PolarHBondContact O-N 3.09Å; T106-L109 PolarHBondContact O-N 3.16Å; T106-L109 VanDerWaalsContact O-N 3.09Å; T106-D110 PolarHBondContact O-N 3.15Å
107Q88.4Confident83.8Confident82 Ų8285.1 Ų85.138%0.38343%0.428SS..Hα-helixtrans-60.4-30.4174.6-71.3171.7-1400112.9F103 T104 R111F103-Q107 HydrophobicContact CD2-CB 4.34Å; F103-Q107 HydrophobicContact CE2-CB 4.1Å; T104-Q107 PolarHBondContact O-N 3.45Å; T104-Q107 VanDerWaalsContact OG1-CG 3.27Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.27Å; T104-Q107 PolarHBondContact OG1-N 3.5Å; Q107-R111 VanDerWaalsContact O-CG 3.28Å; Q107-R111 WeakPolarHBondContact O-CG 3.48Å; Q107-R111 PolarHBondContact O-N 3.23Å
108F89.6Confident83.5Confident5 Ų588.4 Ų88.42%0.02243%0.434CS..Hα-helixtrans-69.2-41.1175.1174.8-93.3000112.3S85 L88 F89 K92 F103 T104 Y105 T106 K112S85-F108 VanDerWaalsContact O-CE1 3.26Å; S85-F108 WeakPolarHBondContact O-CE1 3.47Å; L88-F108 HydrophobicContact CB-CE2 4.13Å; L88-F108 HydrophobicContact CB-CZ 3.6Å; L88-F108 HydrophobicContact CD1-CZ 4.46Å; F89-F108 HydrophobicContact CB-CB 4.47Å; F89-F108 HydrophobicContact CB-CD1 3.95Å; F89-F108 HydrophobicContact CB-CD2 4.13Å; F89-F108 HydrophobicContact CB-CE1 4.21Å; F89-F108 HydrophobicContact CB-CE2 4.37Å; F89-F108 HydrophobicContact CB-CG 3.92Å; F89-F108 HydrophobicContact CB-CZ 4.42Å; F89-F108 HydrophobicContact CD2-CB 3.76Å; F89-F108 HydrophobicContact CD2-CD2 4.42Å; F89-F108 HydrophobicContact CD2-CG 4.08Å; F89-F108 HydrophobicContact CG-CG 4.46Å; K92-F108 HydrophobicContact CD-CD2 4.13Å; K92-F108 HydrophobicContact CD-CE2 4.1Å; F103-F108 HydrophobicContact CE1-CB 3.85Å; F103-F108 AromaticContact CE1-CD2 3.91Å; F103-F108 HydrophobicContact CE1-CD2 3.91Å; F103-F108 HydrophobicContact CE1-CG 4.34Å; F103-F108 HydrophobicContact CZ-CB 3.6Å; F103-F108 AromaticContact CZ-CD2 3.89Å; F103-F108 HydrophobicContact CZ-CD2 3.89Å; F103-F108 HydrophobicContact CZ-CG 4.25Å; T104-F108 PolarHBondContact O-N 3.36Å; T104-F108 VanDerWaalsContact O-N 3.15Å; Y105-F108 HydrophobicContact CD2-CD1 4.36Å; Y105-F108 HydrophobicContact CE2-CD1 4.17Å; Y105-F108 WeakPolarHBondContact O-CB 3.37Å; Y105-F108 PolarHBondContact O-N 3.29Å; Y105-F108 VanDerWaalsContact O-N 3.16Å; T106-F108 PolarHBondContact O-N 3.09Å; F108-K112 HydrophobicContact CE1-CD 4.22Å; F108-K112 HydrophobicContact CZ-CD 4.36Å; F108-K112 PolarHBondContact O-N 3.46Å
109L89.3Confident83.3Confident72 Ų7284.5 Ų84.538%0.37741%0.41SS..Hα-helixtrans-68.2-42.2178-65.6178.6000111.7Y105 T106 R111 K112Y105-L109 HydrophobicContact CD1-CD1 4.11Å; Y105-L109 HydrophobicContact CD1-CG 4.48Å; Y105-L109 HydrophobicContact CE1-CD1 3.71Å; Y105-L109 HydrophobicContact CE1-CD2 4.39Å; Y105-L109 HydrophobicContact CE1-CG 4.15Å; Y105-L109 HydrophobicContact CE2-CD2 4.38Å; Y105-L109 WeakPolarHBondContact O-CG 3.28Å; Y105-L109 PolarHBondContact O-N 3.08Å; Y105-L109 VanDerWaalsContact O-N 3.08Å; T106-L109 PolarHBondContact O-N 3.16Å; T106-L109 VanDerWaalsContact O-N 3.09Å; L109-R111 PolarHBondContact O-N 3.42Å; L109-K112 WeakPolarHBondContact O-CB 3.49Å; L109-K112 PolarHBondContact O-N 3.3Å
110D86.9Confident83Confident112 Ų11281.7 Ų81.760%0.59941%0.406SS*.Hα-helixtrans-61.4-33.6178.4-67.7-11.3000112.3T106 K112T106-D110 PolarHBondContact O-N 3.15Å; D110-K112 VanDerWaalsContact C-N 3.28Å; D110-K112 PolarHBondContact O-N 2.92Å
111R79Confident82.7Confident154 Ų15487.8 Ų87.858%0.58144%0.436SS*.THydrogen-bonded Turntrans-78.5-7.8176.8-70.6178.6-172.3-160.93.1114.3Q107 L109Q107-R111 VanDerWaalsContact O-CG 3.28Å; Q107-R111 WeakPolarHBondContact O-CG 3.48Å; Q107-R111 PolarHBondContact O-N 3.23Å; L109-R111 PolarHBondContact O-N 3.42Å
112K65.5Low82.4Confident108 Ų10888.4 Ų88.447%0.4744%0.436SS..THydrogen-bonded Turntrans-94.9-9.2177.6-106.7-158.8173.4-172.80112.7S85 F108 L109 D110S85-K112 PolarHBondContact OG-NZ 3.03Å; F108-K112 HydrophobicContact CE1-CD 4.22Å; F108-K112 HydrophobicContact CZ-CD 4.36Å; F108-K112 PolarHBondContact O-N 3.46Å; L109-K112 WeakPolarHBondContact O-CB 3.49Å; L109-K112 PolarHBondContact O-N 3.3Å; D110-K112 VanDerWaalsContact C-N 3.28Å; D110-K112 PolarHBondContact O-N 2.92Å
113Q48.1Very low81.9Confident231 Ų23189.5 Ų89.5100%1.07943%0.427SS*.  trans-77.30165.3-80-177.2-3.900110.3

Retrieved 113 of 113 residues in 83.7 ms (Link to these results)

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