A0A3Q0KU13_SCHMA Loading...

KIF-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KU13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 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
1M57.8Low78.1Confident148 Ų14878.5 Ų78.573%0.72937%0.371SS*.  0-71.40-139.7169.787.600111.6R3 V4 E5M1-R3 PolarHBondContact O-N 3.11Å; M1-V4 WeakPolarHBondContact O-CA 3.44Å; M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 2.74Å; M1-E5 VanDerWaalsContact CE-OE1 3.24Å; M1-E5 WeakPolarHBondContact CE-OE1 3.3Å; M1-E5 PolarHBondContact O-N 3.08Å
2V71.2Confident78.3Confident88 Ų8880.9 Ų80.953%0.53337%0.374SS..Hα-helixtrans-46.5-51.6-174.7-177.60000114.8V4 E5 H6V2-V4 VanDerWaalsContact C-N 3.27Å; V2-V4 PolarHBondContact O-N 3.04Å; V2-E5 WeakPolarHBondContact CA-OE2 3.28Å; V2-E5 WeakPolarHBondContact O-CB 3.46Å; V2-E5 PolarHBondContact O-N 3.45Å; V2-H6 WeakPolarHBondContact CG1-CE1 3.28Å; V2-H6 WeakPolarHBondContact CG1-ND1 3.25Å; V2-H6 PolarHBondContact O-N 3.43Å; V2-H6 PolarHBondContact O-ND1 3.08Å
3R79.5Confident78.3Confident187 Ų18791.4 Ų91.471%0.70641%0.408SS*.Hα-helixtrans-62.2-34-179.5-67.8-173.5179.6-174.70.3113.6M1 F7 F56M1-R3 PolarHBondContact O-N 3.11Å; R3-F7 PolarHBondContact O-N 2.74Å; R3-F7 VanDerWaalsContact O-N 3.1Å; R3-F56 HydrophobicContact CB-CE1 4.06Å; R3-F56 HydrophobicContact CB-CZ 4.37Å
4V78.4Confident78.6Confident1 Ų185.4 Ų85.41%0.00638%0.382CS..Hα-helixtrans-74-40.8177.9177.10000110M1 V2 H6 F7 W8 F56 T63 H64 Y67M1-V4 WeakPolarHBondContact O-CA 3.44Å; M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 2.74Å; V2-V4 VanDerWaalsContact C-N 3.27Å; V2-V4 PolarHBondContact O-N 3.04Å; V4-H6 VanDerWaalsContact C-N 3.3Å; V4-H6 PolarHBondContact O-N 3.29Å; V4-F7 WeakPolarHBondContact O-CA 3.49Å; V4-F7 WeakPolarHBondContact O-CB 3.25Å; V4-F7 PolarHBondContact O-N 2.86Å; V4-W8 VanDerWaalsContact CG1-NE1 3.33Å; V4-W8 PolarHBondContact O-N 3.1Å; V4-F56 HydrophobicContact CG2-CE2 4.46Å; V4-F56 HydrophobicContact CG2-CZ 4.15Å; V4-T63 HydrophobicContact CB-CG2 4.36Å; V4-T63 HydrophobicContact CG1-CG2 4.47Å; V4-T63 HydrophobicContact CG2-CG2 4.2Å; V4-H64 VanDerWaalsContact CG2-CD2 3.41Å; V4-H64 WeakPolarHBondContact CG2-CD2 3.25Å; V4-Y67 HydrophobicContact CG1-CD2 3.43Å; V4-Y67 VanDerWaalsContact CG1-CD2 3.43Å; V4-Y67 HydrophobicContact CG1-CE2 3.45Å; V4-Y67 VanDerWaalsContact CG1-CE2 3.45Å; V4-Y67 HydrophobicContact CG1-CG 4.14Å
5E75.3Confident78.6Confident77 Ų7780 Ų8036%0.3636%0.358SS..Hα-helixtrans-58-42.7172.4-67.1167.616800111.8M1 V2 F7 W8 Q9M1-E5 VanDerWaalsContact CE-OE1 3.24Å; M1-E5 WeakPolarHBondContact CE-OE1 3.3Å; M1-E5 PolarHBondContact O-N 3.08Å; V2-E5 WeakPolarHBondContact CA-OE2 3.28Å; V2-E5 WeakPolarHBondContact O-CB 3.46Å; V2-E5 PolarHBondContact O-N 3.45Å; E5-F7 VanDerWaalsContact C-N 3.33Å; E5-F7 PolarHBondContact O-N 3.15Å; E5-W8 PolarHBondContact O-N 3.11Å; E5-W8 VanDerWaalsContact O-N 3.17Å; E5-Q9 WeakPolarHBondContact O-CG 3.45Å; E5-Q9 PolarHBondContact O-N 3.22Å
6H81.8Confident78.2Confident87 Ų8778.4 Ų78.440%0.40335%0.349SS..Hα-helixtrans-60.9-42.1173.4-73.874.5000111.5V2 V4 W8 Q9 D10V2-H6 WeakPolarHBondContact CG1-CE1 3.28Å; V2-H6 WeakPolarHBondContact CG1-ND1 3.25Å; V2-H6 PolarHBondContact O-N 3.43Å; V2-H6 PolarHBondContact O-ND1 3.08Å; V4-H6 VanDerWaalsContact C-N 3.3Å; V4-H6 PolarHBondContact O-N 3.29Å; H6-W8 VanDerWaalsContact C-N 3.32Å; H6-W8 PolarHBondContact O-N 3.2Å; H6-Q9 PolarHBondContact O-N 3.19Å; H6-D10 WeakPolarHBondContact O-CB 3.47Å; H6-D10 PolarHBondContact O-N 3.21Å
7F86.1Confident78.1Confident4 Ų477 Ų772%0.01835%0.346CS..Hα-helixtrans-59.4-41.3174.2172.9-91.2000112.4R3 V4 E5 D10 N11 L48 K51 F52 R55 F56R3-F7 PolarHBondContact O-N 2.74Å; R3-F7 VanDerWaalsContact O-N 3.1Å; V4-F7 WeakPolarHBondContact O-CA 3.49Å; V4-F7 WeakPolarHBondContact O-CB 3.25Å; V4-F7 PolarHBondContact O-N 2.86Å; E5-F7 VanDerWaalsContact C-N 3.33Å; E5-F7 PolarHBondContact O-N 3.15Å; F7-D10 PolarHBondContact O-N 3.15Å; F7-N11 WeakPolarHBondContact CD2-ND2 3.3Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.49Å; F7-N11 WeakPolarHBondContact O-CB 3.38Å; F7-N11 PolarHBondContact O-N 3.42Å; F7-N11 VanDerWaalsContact O-N 3.1Å; F7-N11 PolarHBondContact O-ND2 3.03Å; F7-L48 HydrophobicContact CE1-CD1 3.96Å; F7-L48 HydrophobicContact CZ-CD1 4.01Å; F7-K51 HydrophobicContact CE2-CB 4.01Å; F7-K51 WeakPolarHBondContact CE2-O 3.47Å; F7-K51 HydrophobicContact CZ-CB 4.15Å; F7-F52 AromaticContact CD1-CD2 3.89Å; F7-F52 HydrophobicContact CD1-CD2 3.89Å; F7-F52 HydrophobicContact CD1-CE2 4.43Å; F7-F52 HydrophobicContact CE1-CB 4.18Å; F7-F52 AromaticContact CE1-CD2 3.58Å; F7-F52 HydrophobicContact CE1-CD2 3.58Å; F7-F52 HydrophobicContact CE1-CE2 4.49Å; F7-F52 HydrophobicContact CE1-CG 4.36Å; F7-F52 HydrophobicContact CE2-CB 4.24Å; F7-F52 VanDerWaalsContact CZ-CA 3.5Å; F7-F52 HydrophobicContact CZ-CB 3.69Å; F7-F52 AromaticContact CZ-CD2 3.94Å; F7-F52 HydrophobicContact CZ-CD2 3.94Å; F7-F52 HydrophobicContact CZ-CG 4.28Å; F7-R55 HydrophobicContact CD2-CB 3.93Å; F7-R55 HydrophobicContact CD2-CG 3.99Å; F7-R55 HydrophobicContact CE2-CB 4.26Å; F7-F56 HydrophobicContact CB-CE2 3.75Å; F7-F56 HydrophobicContact CB-CZ 3.99Å; F7-F56 HydrophobicContact CD2-CE2 4.1Å; F7-F56 AromaticContact CG-CE2 3.87Å; F7-F56 HydrophobicContact CG-CE2 3.87Å
8W79.7Confident78.1Confident28 Ų2872.9 Ų72.911%0.10633%0.327CS..Hα-helixtrans-65.5-39.3175.5-70.1105000111.8V4 E5 H6 N11 R12 I15 L48 Y67 L192 L196V4-W8 VanDerWaalsContact CG1-NE1 3.33Å; V4-W8 PolarHBondContact O-N 3.1Å; E5-W8 PolarHBondContact O-N 3.11Å; E5-W8 VanDerWaalsContact O-N 3.17Å; H6-W8 VanDerWaalsContact C-N 3.32Å; H6-W8 PolarHBondContact O-N 3.2Å; W8-N11 CarbonylContact O-C 3.57Å; W8-N11 PolarHBondContact O-N 3.26Å; W8-R12 WeakPolarHBondContact O-CA 3.39Å; W8-R12 PolarHBondContact O-N 3.19Å; W8-I15 HydrophobicContact CB-CD1 4.18Å; W8-I15 HydrophobicContact CD2-CD1 3.98Å; W8-I15 HydrophobicContact CE3-CB 4.48Å; W8-I15 HydrophobicContact CE3-CD1 3.09Å; W8-I15 HydrophobicContact CE3-CG1 3.62Å; W8-I15 HydrophobicContact CE3-CG2 4.1Å; W8-I15 HydrophobicContact CG-CD1 4.47Å; W8-I15 HydrophobicContact CZ3-CB 4.49Å; W8-I15 HydrophobicContact CZ3-CD1 3.63Å; W8-I15 HydrophobicContact CZ3-CG1 3.59Å; W8-I15 HydrophobicContact CZ3-CG2 4.1Å; W8-I15 WeakPolarHBondContact O-CD1 3.42Å; W8-L48 HydrophobicContact CH2-CD2 4.11Å; W8-L48 HydrophobicContact CZ3-CD2 4.28Å; W8-Y67 HydrophobicContact CD2-CE1 4.5Å; W8-Y67 AromaticContact CE2-CD1 3.5Å; W8-Y67 VanDerWaalsContact CE2-CD1 3.5Å; W8-Y67 AromaticContact CE2-CE1 3.48Å; W8-Y67 VanDerWaalsContact CE2-CE1 3.48Å; W8-Y67 HydrophobicContact CH2-CD1 4.17Å; W8-Y67 AromaticContact CZ2-CD1 3.14Å; W8-Y67 HydrophobicContact CZ2-CD1 3.14Å; W8-Y67 AromaticContact CZ2-CE1 3.58Å; W8-Y67 HydrophobicContact CZ2-CE1 3.58Å; W8-Y67 AromaticContact CZ2-CG 3.88Å; W8-Y67 HydrophobicContact CZ2-CG 3.88Å; W8-Y67 AromaticContact NE1-CD1 3.44Å; W8-Y67 AromaticContact NE1-CE1 3.18Å; W8-Y67 AromaticContact NE1-CE2 3.98Å; W8-Y67 AromaticContact NE1-CG 3.85Å; W8-Y67 AromaticContact NE1-CZ 3.5Å; W8-L192 HydrophobicContact CH2-CD1 4.43Å; W8-L196 HydrophobicContact CE3-CD2 3.67Å; W8-L196 HydrophobicContact CH2-CD2 3.67Å; W8-L196 HydrophobicContact CZ3-CD2 3.07Å
9Q78.9Confident77.8Confident116 Ų11671.4 Ų71.454%0.54232%0.319SS..Hα-helixtrans-64.5-45.4175.3-71175.9-1.300111.9E5 H6 N11 R12E5-Q9 WeakPolarHBondContact O-CG 3.45Å; E5-Q9 PolarHBondContact O-N 3.22Å; H6-Q9 PolarHBondContact O-N 3.19Å; Q9-N11 PolarHBondContact O-N 3.27Å; Q9-R12 VanDerWaalsContact O-CB 3.3Å; Q9-R12 WeakPolarHBondContact O-CB 3.49Å; Q9-R12 PolarHBondContact O-N 2.97Å
10D85.2Confident77.4Confident109 Ų10968.1 Ų68.158%0.58331%0.305SS*.Hα-helixtrans-61.1-33.3178.3-67.3-19.7000111.6H6 F7H6-D10 WeakPolarHBondContact O-CB 3.47Å; H6-D10 PolarHBondContact O-N 3.21Å; F7-D10 PolarHBondContact O-N 3.15Å
11N85.7Confident77.2Confident18 Ų1865.1 Ų65.110%0.09629%0.292CS..THydrogen-bonded Turntrans-102.712.9-177.4-68.5-76.6000114F7 W8 Q9 R13 L14 I15 L48 K51F7-N11 WeakPolarHBondContact CD2-ND2 3.3Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.49Å; F7-N11 WeakPolarHBondContact O-CB 3.38Å; F7-N11 PolarHBondContact O-N 3.42Å; F7-N11 VanDerWaalsContact O-N 3.1Å; F7-N11 PolarHBondContact O-ND2 3.03Å; W8-N11 CarbonylContact O-C 3.57Å; W8-N11 PolarHBondContact O-N 3.26Å; Q9-N11 PolarHBondContact O-N 3.27Å; N11-R13 PolarHBondContact O-N 3.37Å; N11-L14 WeakPolarHBondContact O-CB 3.4Å; N11-L14 PolarHBondContact O-N 3.05Å; N11-I15 HydrophobicContact CB-CD1 3.8Å; N11-I15 HydrophobicContact CB-CG1 4.3Å; N11-I15 WeakPolarHBondContact O-CD1 3.3Å; N11-I15 WeakPolarHBondContact O-CG1 3.38Å; N11-I15 PolarHBondContact O-N 2.96Å; N11-L48 HydrophobicContact CB-CD1 4.41Å; N11-K51 WeakPolarHBondContact OD1-CD 3.49Å
12R79.7Confident77.9Confident108 Ų10859 Ų5941%0.40826%0.262SS..Hα-helixtrans-52.4-33.4-169.6-170.4177.8-172.8-163.93.8114W8 Q9 Y16 E199W8-R12 WeakPolarHBondContact O-CA 3.39Å; W8-R12 PolarHBondContact O-N 3.19Å; Q9-R12 VanDerWaalsContact O-CB 3.3Å; Q9-R12 WeakPolarHBondContact O-CB 3.49Å; Q9-R12 PolarHBondContact O-N 2.97Å; R12-Y16 VanDerWaalsContact O-CB 3.23Å; R12-Y16 WeakPolarHBondContact O-CB 3.24Å; R12-Y16 PolarHBondContact O-N 3.42Å; R12-E199 IonicContact CZ-OE1 2.81Å; R12-E199 IonicContact CZ-OE2 2.84Å; R12-E199 VanDerWaalsContact CZ-OE2 3.24Å; R12-E199 IonicContact NE-OE1 2.83Å; R12-E199 PolarHBondContact NE-OE1 3.46Å; R12-E199 IonicContact NE-OE2 3.6Å; R12-E199 PolarHBondContact NE-OE2 3.34Å; R12-E199 VanDerWaalsContact NE-OE2 3.14Å; R12-E199 IonicContact NH2-OE1 2.77Å; R12-E199 IonicContact NH2-OE2 3.37Å; R12-E199 PolarHBondContact NH2-OE2 3.47Å
13R78.4Confident77.6Confident217 Ų21755.5 Ų55.582%0.81924%0.24SC*.Hα-helixtrans-67-51.3175.2-68.3-175.3-177.4176.11.2112.4N11 I15 Y16 D17N11-R13 PolarHBondContact O-N 3.37Å; R13-I15 VanDerWaalsContact C-N 3.26Å; R13-I15 PolarHBondContact O-N 3.49Å; R13-Y16 WeakPolarHBondContact O-CB 3.37Å; R13-Y16 PolarHBondContact O-N 3.07Å; R13-Y16 VanDerWaalsContact O-N 3.12Å; R13-D17 PolarHBondContact O-N 3.26Å
14L83.2Confident76.9Confident8 Ų847.2 Ų47.24%0.04221%0.209CC..Hα-helixtrans-59-41.7178175.959.4000111.3N11 Y16 D17 I18 K44 E47 L48 K51N11-L14 WeakPolarHBondContact O-CB 3.4Å; N11-L14 PolarHBondContact O-N 3.05Å; L14-Y16 VanDerWaalsContact C-N 3.33Å; L14-Y16 PolarHBondContact O-N 3.39Å; L14-D17 WeakPolarHBondContact O-CB 3.5Å; L14-D17 PolarHBondContact O-N 3.34Å; L14-I18 HydrophobicContact CD1-CD1 4.45Å; L14-I18 HydrophobicContact CG-CD1 4.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.03Å; L14-K44 HydrophobicContact CD1-CB 4.16Å; L14-K44 HydrophobicContact CD1-CD 3.47Å; L14-K44 VanDerWaalsContact CD1-CD 3.47Å; L14-K44 HydrophobicContact CD1-CG 4.44Å; L14-E47 HydrophobicContact CD1-CB 4.49Å; L14-E47 WeakPolarHBondContact CD1-OE2 3.4Å; L14-E47 HydrophobicContact CD2-CB 4.24Å; L14-E47 HydrophobicContact CD2-CG 3.97Å; L14-L48 HydrophobicContact CD2-CB 3.89Å; L14-L48 HydrophobicContact CD2-CD1 3.94Å; L14-L48 HydrophobicContact CG-CD1 4.48Å; L14-K51 HydrophobicContact CD2-CD 4.22Å
15I77.6Confident76.2Confident4 Ų448.6 Ų48.62%0.02122%0.218CC..Hα-helixtrans-66-38.9178.2-64.5156.2000111.4W8 N11 R13 I18 R19 L48 L196W8-I15 HydrophobicContact CB-CD1 4.18Å; W8-I15 HydrophobicContact CD2-CD1 3.98Å; W8-I15 HydrophobicContact CE3-CB 4.48Å; W8-I15 HydrophobicContact CE3-CD1 3.09Å; W8-I15 HydrophobicContact CE3-CG1 3.62Å; W8-I15 HydrophobicContact CE3-CG2 4.1Å; W8-I15 HydrophobicContact CG-CD1 4.47Å; W8-I15 HydrophobicContact CZ3-CB 4.49Å; W8-I15 HydrophobicContact CZ3-CD1 3.63Å; W8-I15 HydrophobicContact CZ3-CG1 3.59Å; W8-I15 HydrophobicContact CZ3-CG2 4.1Å; W8-I15 WeakPolarHBondContact O-CD1 3.42Å; N11-I15 HydrophobicContact CB-CD1 3.8Å; N11-I15 HydrophobicContact CB-CG1 4.3Å; N11-I15 WeakPolarHBondContact O-CD1 3.3Å; N11-I15 WeakPolarHBondContact O-CG1 3.38Å; N11-I15 PolarHBondContact O-N 2.96Å; R13-I15 VanDerWaalsContact C-N 3.26Å; R13-I15 PolarHBondContact O-N 3.49Å; I15-I18 PolarHBondContact O-N 3.1Å; I15-R19 WeakPolarHBondContact O-CG 3.32Å; I15-R19 PolarHBondContact O-N 3.28Å; I15-L48 HydrophobicContact CG1-CD1 4.2Å; I15-L196 HydrophobicContact CG2-CD2 3.77Å
16Y72.8Confident75.4Confident54 Ų5446.9 Ų46.921%0.21221%0.212CC..Hα-helixtrans-63.6-42.3173.8172.2-88.2000111.3R12 R13 L14 R19 S20 R294 K295 L296R12-Y16 VanDerWaalsContact O-CB 3.23Å; R12-Y16 WeakPolarHBondContact O-CB 3.24Å; R12-Y16 PolarHBondContact O-N 3.42Å; R13-Y16 WeakPolarHBondContact O-CB 3.37Å; R13-Y16 PolarHBondContact O-N 3.07Å; R13-Y16 VanDerWaalsContact O-N 3.12Å; L14-Y16 VanDerWaalsContact C-N 3.33Å; L14-Y16 PolarHBondContact O-N 3.39Å; Y16-R19 PolarHBondContact O-N 2.99Å; Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 3.22Å; Y16-R294 PolarHBondContact OH-O 3.03Å; Y16-R294 VanDerWaalsContact OH-O 3.1Å; Y16-K295 VanDerWaalsContact OH-CA 3.23Å; Y16-K295 WeakPolarHBondContact OH-CA 3.22Å; Y16-L296 PolarHBondContact OH-N 3.38Å
17D76.5Confident74Confident55 Ų5543.7 Ų43.729%0.29420%0.2SC..Hα-helixtrans-60.7-46.9175.5-63.7-8.6000111R13 L14 R19 S20 L21 K44R13-D17 PolarHBondContact O-N 3.26Å; L14-D17 WeakPolarHBondContact O-CB 3.5Å; L14-D17 PolarHBondContact O-N 3.34Å; D17-R19 PolarHBondContact O-N 3.07Å; D17-S20 WeakPolarHBondContact O-CB 3.47Å; D17-S20 PolarHBondContact O-N 3.25Å; D17-S20 VanDerWaalsContact O-N 3.17Å; D17-L21 WeakPolarHBondContact O-CG 3.25Å; D17-L21 PolarHBondContact O-N 2.94Å; D17-K44 HydrophobicContact CB-CD 4.23Å; D17-K44 IonicContact OD2-NZ 2.92Å; D17-K44 PolarHBondContact OD2-NZ 3.12Å
18I78.8Confident72.3Confident3 Ų345 Ų452%0.01521%0.209CC..Hα-helixtrans-57.1-50.5176.8-70.8167.3000110.5L14 I15 S20 L21 E22 L41 K44 Y45 L48L14-I18 HydrophobicContact CD1-CD1 4.45Å; L14-I18 HydrophobicContact CG-CD1 4.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.03Å; I15-I18 PolarHBondContact O-N 3.1Å; I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 3.29Å; I18-L21 PolarHBondContact O-N 3.48Å; I18-E22 HydrophobicContact CG2-CG 4.37Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.39Å; I18-L41 HydrophobicContact CG2-CD1 4.19Å; I18-K44 HydrophobicContact CD1-CB 4.3Å; I18-K44 HydrophobicContact CG1-CB 3.67Å; I18-Y45 HydrophobicContact CD1-CD1 4.07Å; I18-Y45 HydrophobicContact CD1-CE1 4.24Å; I18-Y45 HydrophobicContact CG2-CD1 4.37Å; I18-Y45 HydrophobicContact CG2-CE1 3.63Å; I18-Y45 HydrophobicContact CG2-CE2 3.99Å; I18-Y45 WeakPolarHBondContact CG2-OH 3.47Å; I18-L48 HydrophobicContact CD1-CB 4.02Å; I18-L48 HydrophobicContact CD1-CD2 3.67Å; I18-L48 HydrophobicContact CD1-CG 4.39Å
19R72.1Confident70.9Confident44 Ų4452.7 Ų52.717%0.16625%0.246CC..Hα-helixtrans-60-39.7177.6-72.6-179.3-143.9-174.47.5112.2I15 Y16 D17 N23 L196 N197I15-R19 WeakPolarHBondContact O-CG 3.32Å; I15-R19 PolarHBondContact O-N 3.28Å; Y16-R19 PolarHBondContact O-N 2.99Å; D17-R19 PolarHBondContact O-N 3.07Å; R19-N23 WeakPolarHBondContact O-CB 3.27Å; R19-N23 PolarHBondContact O-N 3.45Å; R19-N23 PolarHBondContact O-ND2 3.36Å; R19-N23 VanDerWaalsContact O-ND2 3.1Å; R19-N23 PolarHBondContact O-OD1 2.87Å; R19-L196 HydrophobicContact CG-CD1 4.31Å; R19-L196 VanDerWaalsContact CZ-C 3.44Å; R19-L196 PolarHBondContact NH1-O 3.27Å; R19-L196 VanDerWaalsContact NH2-C 3.27Å; R19-L196 PolarHBondContact NH2-O 2.87Å; R19-N197 PolarHBondContact NH1-OD1 3.27Å
20S69Low69.3Low6 Ų650.6 Ų50.64%0.04224%0.241CC..Hα-helixtrans-59.5-52.8176.7-170.80000109.8Y16 D17 I18 E22 N23 I24 L296Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 3.22Å; D17-S20 WeakPolarHBondContact O-CB 3.47Å; D17-S20 PolarHBondContact O-N 3.25Å; D17-S20 VanDerWaalsContact O-N 3.17Å; I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact O-N 2.94Å; S20-N23 PolarHBondContact O-N 3.13Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.33Å; S20-I24 PolarHBondContact O-N 2.87Å; S20-L296 VanDerWaalsContact OG-CD1 3.28Å; S20-L296 WeakPolarHBondContact OG-CD1 3.36Å
21L73.4Confident68.1Low5 Ų548.7 Ų48.73%0.02625%0.247CC..Hα-helixtrans-60.9-42178.7-66.7173.8000112.8D17 I18 I24 T25 L37 A40 L41 K44 L288D17-L21 WeakPolarHBondContact O-CG 3.25Å; D17-L21 PolarHBondContact O-N 2.94Å; I18-L21 PolarHBondContact O-N 3.48Å; L21-I24 HydrophobicContact CD2-CD1 4.06Å; L21-I24 WeakPolarHBondContact O-CB 3.46Å; L21-I24 PolarHBondContact O-N 3.02Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.24Å; L21-L37 HydrophobicContact CD2-CD1 3.85Å; L21-A40 HydrophobicContact CD1-CB 4.27Å; L21-L41 HydrophobicContact CB-CD1 3.79Å; L21-L41 HydrophobicContact CD1-CD1 4.43Å; L21-K44 HydrophobicContact CD1-CG 3.96Å; L21-L288 HydrophobicContact CD2-CD1 3.95Å
22E72.4Confident66.4Low21 Ų2154.3 Ų54.310%0.09828%0.282CS..Hα-helixtrans-63.6-39.5174.4-73.5-168.1117.800112.4I18 S20 I24 T25 V26 L41 Y45 K74I18-E22 HydrophobicContact CG2-CG 4.37Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.39Å; S20-E22 PolarHBondContact O-N 2.94Å; E22-I24 PolarHBondContact O-N 3.1Å; E22-T25 WeakPolarHBondContact CA-OG1 3.42Å; E22-T25 PolarHBondContact O-N 3.09Å; E22-T25 PolarHBondContact O-OG1 3.22Å; E22-V26 WeakPolarHBondContact O-CG2 3.46Å; E22-V26 PolarHBondContact O-N 3.33Å; E22-L41 HydrophobicContact CG-CD1 3.86Å; E22-L41 HydrophobicContact CG-CD2 4.24Å; E22-Y45 PolarHBondContact OE1-OH 3.35Å; E22-Y45 PolarHBondContact OE2-OH 2.93Å; E22-K74 IonicContact OE1-NZ 3.03Å; E22-K74 PolarHBondContact OE1-NZ 3.48Å
23N65.2Low65.5Low13 Ų1351.6 Ų51.67%0.0728%0.28CS..Hα-helixtrans-65-33.4175.9-66.3-27.5000110.9R19 S20 S27 I282 C302R19-N23 WeakPolarHBondContact O-CB 3.27Å; R19-N23 PolarHBondContact O-N 3.45Å; R19-N23 PolarHBondContact O-ND2 3.36Å; R19-N23 VanDerWaalsContact O-ND2 3.1Å; R19-N23 PolarHBondContact O-OD1 2.87Å; S20-N23 PolarHBondContact O-N 3.13Å; N23-S27 PolarHBondContact O-N 2.95Å; N23-S27 PolarHBondContact O-OG 2.74Å; N23-I282 HydrophobicContact CB-CD1 3.73Å; N23-I282 WeakPolarHBondContact O-CD1 3.48Å; N23-C302 HydrophobicContact CB-CB 4.31Å; N23-C302 WeakPolarHBondContact OD1-CB 3.39Å; N23-C302 PolarHBondContact OD1-N 2.94Å; N23-C302 PolarHBondContact OD1-O 2.94Å
24I64.5Low64.9Low13 Ų1345.2 Ų45.27%0.06726%0.259CS..Hα-helixtrans-65.8-50.8176.7-58.5160.6000110.6S20 L21 E22 V26 S27 S28 L37 I282 L288 L291S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.33Å; S20-I24 PolarHBondContact O-N 2.87Å; L21-I24 HydrophobicContact CD2-CD1 4.06Å; L21-I24 WeakPolarHBondContact O-CB 3.46Å; L21-I24 PolarHBondContact O-N 3.02Å; E22-I24 PolarHBondContact O-N 3.1Å; I24-V26 PolarHBondContact O-N 3.38Å; I24-S27 PolarHBondContact O-N 3.46Å; I24-S27 PolarHBondContact O-OG 2.95Å; I24-S28 PolarHBondContact O-N 3.19Å; I24-S28 PolarHBondContact O-OG 3.44Å; I24-L37 HydrophobicContact CB-CD1 4.08Å; I24-L37 HydrophobicContact CB-CD2 4.17Å; I24-L37 HydrophobicContact CD1-CD1 4.11Å; I24-L37 HydrophobicContact CG2-CD1 3.87Å; I24-L37 HydrophobicContact CG2-CD2 3.76Å; I24-I282 HydrophobicContact CG1-CG1 4.43Å; I24-I282 HydrophobicContact CG1-CG2 4.39Å; I24-I282 HydrophobicContact CG2-CG2 4.38Å; I24-L288 HydrophobicContact CD1-CD1 4.32Å; I24-L291 HydrophobicContact CB-CD1 4.5Å; I24-L291 HydrophobicContact CD1-CB 4.32Å; I24-L291 HydrophobicContact CD1-CD1 3.71Å; I24-L291 HydrophobicContact CD1-CD2 3.28Å; I24-L291 HydrophobicContact CD1-CG 3.93Å; I24-L291 HydrophobicContact CG1-CD1 3.52Å; I24-L291 HydrophobicContact CG1-CD2 3.39Å; I24-L291 HydrophobicContact CG1-CG 4.05Å; I24-L291 HydrophobicContact CG2-CD1 4.17Å
25T63.8Low64.3Low31 Ų3148.8 Ų48.819%0.1929%0.285CS..Hα-helixtrans-54.5-38.5-179.240.80000111L21 E22 S27 L37L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.24Å; E22-T25 WeakPolarHBondContact CA-OG1 3.42Å; E22-T25 PolarHBondContact O-N 3.09Å; E22-T25 PolarHBondContact O-OG1 3.22Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.69Å; T25-L37 HydrophobicContact CG2-CD2 3.22Å; T25-L37 HydrophobicContact CG2-CG 3.75Å
26V58Low64.2Low40 Ų4055.7 Ų55.724%0.24231%0.314CS..Hα-helixtrans-62.3-36.1178-178.70000113.1E22 I24 H304E22-V26 WeakPolarHBondContact O-CG2 3.46Å; E22-V26 PolarHBondContact O-N 3.33Å; I24-V26 PolarHBondContact O-N 3.38Å; V26-H304 HydrophobicContact CG2-CB 3.53Å; V26-H304 WeakPolarHBondContact CG2-ND1 3.41Å
27S52.7Low64.3Low21 Ų2153.3 Ų53.315%0.14731%0.306CS..Hα-helixtrans-94.3-14.9-166.367.20000114.8N23 I24 T25 I282N23-S27 PolarHBondContact O-N 2.95Å; N23-S27 PolarHBondContact O-OG 2.74Å; I24-S27 PolarHBondContact O-N 3.46Å; I24-S27 PolarHBondContact O-OG 2.95Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.69Å; S27-I282 WeakPolarHBondContact OG-CG2 3.17Å
28S50.1Low64.3Low30 Ų3051 Ų5121%0.2129%0.293CS..  trans-107.7110.5-168.3620000112.2I24 V30I24-S28 PolarHBondContact O-N 3.19Å; I24-S28 PolarHBondContact O-OG 3.44Å; S28-V30 PolarHBondContact O-N 3.07Å
29H50.7Low64.5Low190 Ų19056.7 Ų56.788%0.8832%0.318SS*.  trans-73.842159.7-74.916.1000111.4G31H29-G31 PolarHBondContact O-N 2.87Å
30V46Very low65Low73 Ų7355.5 Ų55.544%0.44232%0.317SS..  trans-106.492-162.4-176.30000109.7S28 T32 C33 H34S28-V30 PolarHBondContact O-N 3.07Å; V30-T32 PolarHBondContact O-N 3.37Å; V30-C33 HydrophobicContact CG1-CB 3.91Å; V30-C33 PolarHBondContact O-N 3.2Å; V30-H34 PolarHBondContact O-N 3.26Å
31G58.6Low65.7Low69 Ų6955.5 Ų55.571%0.71132%0.317SS*.Hα-helixtrans-46.1-60.5-177.400000114H29 C33 H34H29-G31 PolarHBondContact O-N 2.87Å; G31-C33 VanDerWaalsContact C-N 3.34Å; G31-C33 PolarHBondContact O-N 2.92Å; G31-H34 PolarHBondContact O-N 3.24Å
32T50.5Low66.3Low135 Ų13556.4 Ų56.483%0.82832%0.321SS*.Hα-helixtrans-74.8-15.7-168.951.40000115.6V30V30-T32 PolarHBondContact O-N 3.37Å
33C60.7Low67.1Low52 Ų5260.7 Ų60.735%0.35134%0.341SS..Hα-helixtrans-98.4-11.6179.5-157.70000113.3V30 G31 S35 K36 L37V30-C33 HydrophobicContact CG1-CB 3.91Å; V30-C33 PolarHBondContact O-N 3.2Å; G31-C33 VanDerWaalsContact C-N 3.34Å; G31-C33 PolarHBondContact O-N 2.92Å; C33-S35 PolarHBondContact O-N 3.5Å; C33-K36 PolarHBondContact O-N 3.44Å; C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 PolarHBondContact O-N 3.35Å
34H67.2Low68.3Low82 Ų8262.7 Ų62.738%0.3835%0.349SS..Hα-helixtrans-58.9-45.4-175.6-169.367.6000112.4V30 G31 K36 L37 N38V30-H34 PolarHBondContact O-N 3.26Å; G31-H34 PolarHBondContact O-N 3.24Å; H34-K36 PolarHBondContact O-N 2.87Å; H34-L37 PolarHBondContact O-N 2.58Å; H34-N38 PolarHBondContact CD2-ND2 3.26Å; H34-N38 VanDerWaalsContact CD2-ND2 3.33Å; H34-N38 PolarHBondContact NE2-ND2 3.03Å; H34-N38 WeakPolarHBondContact O-CB 3.5Å; H34-N38 VanDerWaalsContact O-CG 3.25Å; H34-N38 PolarHBondContact O-N 3.48Å; H34-N38 PolarHBondContact O-OD1 2.98Å
35S70.4Confident69.5Low84 Ų8462.1 Ų62.159%0.58735%0.346SS*.Hα-helixtrans-63.5-40.8179.662.20000113.4C33 K39C33-S35 PolarHBondContact O-N 3.5Å; S35-K39 WeakPolarHBondContact O-CB 3.33Å; S35-K39 PolarHBondContact O-N 3.36Å
36K74.5Confident70.9Confident148 Ų14863.9 Ų63.964%0.64335%0.353SS*.Hα-helixtrans-66.3-41176.7-69.4-176.3-179.4177.60111.5C33 H34 K39 A40C33-K36 PolarHBondContact O-N 3.44Å; H34-K36 PolarHBondContact O-N 2.87Å; K36-K39 PolarHBondContact O-N 3.01Å; K36-A40 PolarHBondContact O-N 2.73Å
37L75.3Confident72.5Confident5 Ų565.6 Ų65.63%0.02636%0.358CS..Hα-helixtrans-65.9-46.3179-171.672.6000111L21 I24 T25 C33 H34 K39 A40 L41 L288L21-L37 HydrophobicContact CD2-CD1 3.85Å; I24-L37 HydrophobicContact CB-CD1 4.08Å; I24-L37 HydrophobicContact CB-CD2 4.17Å; I24-L37 HydrophobicContact CD1-CD1 4.11Å; I24-L37 HydrophobicContact CG2-CD1 3.87Å; I24-L37 HydrophobicContact CG2-CD2 3.76Å; T25-L37 HydrophobicContact CG2-CD2 3.22Å; T25-L37 HydrophobicContact CG2-CG 3.75Å; C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 PolarHBondContact O-N 3.35Å; H34-L37 PolarHBondContact O-N 2.58Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.36Å; L37-A40 PolarHBondContact O-N 3.33Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.88Å; L37-L288 HydrophobicContact CD1-CD1 3.79Å
38N76.8Confident74.4Confident7 Ų764.8 Ų64.84%0.03735%0.352CS..Hα-helixtrans-62.8-38.2176.8-67.7-1000111.2H34 L41 H42 E81 M82H34-N38 PolarHBondContact CD2-ND2 3.26Å; H34-N38 VanDerWaalsContact CD2-ND2 3.33Å; H34-N38 PolarHBondContact NE2-ND2 3.03Å; H34-N38 WeakPolarHBondContact O-CB 3.5Å; H34-N38 VanDerWaalsContact O-CG 3.25Å; H34-N38 PolarHBondContact O-N 3.48Å; H34-N38 PolarHBondContact O-OD1 2.98Å; N38-L41 PolarHBondContact O-N 3.01Å; N38-H42 WeakPolarHBondContact O-CB 3.31Å; N38-H42 PolarHBondContact O-N 3.48Å; N38-E81 PolarHBondContact ND2-OE2 2.77Å; N38-M82 HydrophobicContact CB-CE 4.3Å
39K81.7Confident76.4Confident122 Ų12263.7 Ų63.753%0.5334%0.344SS..Hα-helixtrans-63-47.7173.7-171.3179.7178.8-178.60112.4S35 K36 L37 L41 H42 E43 M82S35-K39 WeakPolarHBondContact O-CB 3.33Å; S35-K39 PolarHBondContact O-N 3.36Å; K36-K39 PolarHBondContact O-N 3.01Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.36Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-L41 PolarHBondContact O-N 3.36Å; K39-H42 WeakPolarHBondContact O-CB 3.39Å; K39-H42 PolarHBondContact O-N 2.83Å; K39-E43 VanDerWaalsContact CE-OE1 3.29Å; K39-E43 WeakPolarHBondContact CE-OE1 3.35Å; K39-E43 WeakPolarHBondContact O-CG 3.45Å; K39-E43 PolarHBondContact O-N 3.48Å; K39-M82 HydrophobicContact CB-CE 4.44Å
40A83.5Confident78.5Confident18 Ų1860.3 Ų60.315%0.14933%0.328CS..Hα-helixtrans-62.3-42.2177.500000111.9L21 K36 L37 H42 E43 K44L21-A40 HydrophobicContact CD1-CB 4.27Å; K36-A40 PolarHBondContact O-N 2.73Å; L37-A40 PolarHBondContact O-N 3.33Å; A40-H42 VanDerWaalsContact C-N 3.34Å; A40-E43 PolarHBondContact O-N 3.17Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.12Å; A40-K44 VanDerWaalsContact O-N 3.1Å
41L83.3Confident80.7Confident7 Ų760.5 Ų60.54%0.03732%0.323CS..Hα-helixtrans-63.2-42.1176.1-174.665.8000111.3I18 L21 E22 L37 N38 K39 K44 Y45I18-L41 HydrophobicContact CG2-CD1 4.19Å; L21-L41 HydrophobicContact CB-CD1 3.79Å; L21-L41 HydrophobicContact CD1-CD1 4.43Å; E22-L41 HydrophobicContact CG-CD1 3.86Å; E22-L41 HydrophobicContact CG-CD2 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.88Å; N38-L41 PolarHBondContact O-N 3.01Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-L41 PolarHBondContact O-N 3.36Å; L41-K44 PolarHBondContact O-N 2.81Å; L41-Y45 HydrophobicContact CD1-CD2 3.97Å; L41-Y45 HydrophobicContact CD1-CE2 3.57Å; L41-Y45 HydrophobicContact CD2-CE2 4.11Å; L41-Y45 HydrophobicContact CG-CD2 3.81Å; L41-Y45 HydrophobicContact CG-CE2 3.65Å; L41-Y45 VanDerWaalsContact O-CD2 3.3Å; L41-Y45 WeakPolarHBondContact O-CD2 3.42Å; L41-Y45 PolarHBondContact O-N 2.8Å
42H86.8Confident82.3Confident24 Ų2457.2 Ų57.211%0.11129%0.289CS..Hα-helixtrans-59.2-49.6175.3-178.388.9000111.9N38 K39 A40 K44 Y45 M46 N78 Y79 M82N38-H42 WeakPolarHBondContact O-CB 3.31Å; N38-H42 PolarHBondContact O-N 3.48Å; K39-H42 WeakPolarHBondContact O-CB 3.39Å; K39-H42 PolarHBondContact O-N 2.83Å; A40-H42 VanDerWaalsContact C-N 3.34Å; H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.32Å; H42-Y45 PolarHBondContact O-N 3.09Å; H42-M46 WeakPolarHBondContact O-CG 3.48Å; H42-M46 PolarHBondContact O-N 3.45Å; H42-N78 HydrophobicContact CB-CB 4.43Å; H42-Y79 AromaticContact CE1-CE1 3.54Å; H42-Y79 AromaticContact CE1-CE2 3.64Å; H42-Y79 AromaticContact CE1-CZ 3.3Å; H42-Y79 AromaticContact NE2-CZ 3.8Å; H42-M82 HydrophobicContact CB-CE 4.33Å
43E89.1Confident84.2Confident111 Ų11153.6 Ų53.652%0.51926%0.263SS..Hα-helixtrans-57.4-43.8177.4-72.3170.3-171.600111.8K39 A40 M46 E47K39-E43 VanDerWaalsContact CE-OE1 3.29Å; K39-E43 WeakPolarHBondContact CE-OE1 3.35Å; K39-E43 WeakPolarHBondContact O-CG 3.45Å; K39-E43 PolarHBondContact O-N 3.48Å; A40-E43 PolarHBondContact O-N 3.17Å; E43-M46 PolarHBondContact O-N 3.31Å; E43-E47 PolarHBondContact O-N 3.41Å
44K89.2Confident85.7Confident54 Ų5456 Ų5624%0.23527%0.272CS..Hα-helixtrans-67.4-39.4179.3-67.4-78.5178173.30112.7L14 D17 I18 L21 A40 L41 H42 E47 L48L14-K44 HydrophobicContact CD1-CB 4.16Å; L14-K44 HydrophobicContact CD1-CD 3.47Å; L14-K44 VanDerWaalsContact CD1-CD 3.47Å; L14-K44 HydrophobicContact CD1-CG 4.44Å; D17-K44 HydrophobicContact CB-CD 4.23Å; D17-K44 IonicContact OD2-NZ 2.92Å; D17-K44 PolarHBondContact OD2-NZ 3.12Å; I18-K44 HydrophobicContact CD1-CB 4.3Å; I18-K44 HydrophobicContact CG1-CB 3.67Å; L21-K44 HydrophobicContact CD1-CG 3.96Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.12Å; A40-K44 VanDerWaalsContact O-N 3.1Å; L41-K44 PolarHBondContact O-N 2.81Å; H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.32Å; K44-E47 PolarHBondContact O-N 2.98Å; K44-L48 WeakPolarHBondContact O-CB 3.33Å; K44-L48 PolarHBondContact O-N 3.04Å
45Y90.6Very high86.8Confident2 Ų259 Ų591%0.00828%0.28CS..Hα-helixtrans-68.4-38.3174.6-85.4-60.3000112.8I18 E22 L41 H42 E47 L48 L49 I71 K74 I75 L192I18-Y45 HydrophobicContact CD1-CD1 4.07Å; I18-Y45 HydrophobicContact CD1-CE1 4.24Å; I18-Y45 HydrophobicContact CG2-CD1 4.37Å; I18-Y45 HydrophobicContact CG2-CE1 3.63Å; I18-Y45 HydrophobicContact CG2-CE2 3.99Å; I18-Y45 WeakPolarHBondContact CG2-OH 3.47Å; E22-Y45 PolarHBondContact OE1-OH 3.35Å; E22-Y45 PolarHBondContact OE2-OH 2.93Å; L41-Y45 HydrophobicContact CD1-CD2 3.97Å; L41-Y45 HydrophobicContact CD1-CE2 3.57Å; L41-Y45 HydrophobicContact CD2-CE2 4.11Å; L41-Y45 HydrophobicContact CG-CD2 3.81Å; L41-Y45 HydrophobicContact CG-CE2 3.65Å; L41-Y45 VanDerWaalsContact O-CD2 3.3Å; L41-Y45 WeakPolarHBondContact O-CD2 3.42Å; L41-Y45 PolarHBondContact O-N 2.8Å; H42-Y45 PolarHBondContact O-N 3.09Å; Y45-E47 VanDerWaalsContact C-N 3.35Å; Y45-L48 PolarHBondContact O-N 3.4Å; Y45-L49 WeakPolarHBondContact O-CB 3.35Å; Y45-L49 PolarHBondContact O-N 3.1Å; Y45-I71 HydrophobicContact CD1-CG2 4.38Å; Y45-K74 HydrophobicContact CD1-CB 4.38Å; Y45-K74 HydrophobicContact CD2-CB 4.36Å; Y45-K74 HydrophobicContact CE1-CB 4.04Å; Y45-K74 HydrophobicContact CE1-CG 4.3Å; Y45-K74 HydrophobicContact CE2-CB 3.99Å; Y45-I75 HydrophobicContact CG-CG1 4.42Å; Y45-L192 HydrophobicContact CE1-CD2 4.4Å
46M92.4Very high87.7Confident67 Ų6755.8 Ų55.833%0.3326%0.256SS..Hα-helixtrans-63.9-41.2174.5-71.2-66-84.800111.2H42 E43 L48 L49 H50 I75H42-M46 WeakPolarHBondContact O-CG 3.48Å; H42-M46 PolarHBondContact O-N 3.45Å; E43-M46 PolarHBondContact O-N 3.31Å; M46-L48 VanDerWaalsContact C-N 3.35Å; M46-L48 PolarHBondContact O-N 2.97Å; M46-L49 PolarHBondContact O-N 3.31Å; M46-H50 WeakPolarHBondContact O-CB 3.34Å; M46-H50 PolarHBondContact O-N 2.98Å; M46-I75 HydrophobicContact SD-CD1 3.78Å; M46-I75 HydrophobicContact SD-CG1 4.31Å; M46-I75 HydrophobicContact SD-CG2 3.82Å
47E93.3Very high88.3Confident77 Ų7754 Ų5436%0.3626%0.259SS..Hα-helixtrans-59-46172-170.5-166.815200111.2L14 E43 K44 Y45 H50 K51L14-E47 HydrophobicContact CD1-CB 4.49Å; L14-E47 WeakPolarHBondContact CD1-OE2 3.4Å; L14-E47 HydrophobicContact CD2-CB 4.24Å; L14-E47 HydrophobicContact CD2-CG 3.97Å; E43-E47 PolarHBondContact O-N 3.41Å; K44-E47 PolarHBondContact O-N 2.98Å; Y45-E47 VanDerWaalsContact C-N 3.35Å; E47-H50 PolarHBondContact O-N 3.34Å; E47-K51 HydrophobicContact CG-CD 4.5Å; E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 2.97Å; E47-K51 VanDerWaalsContact OE1-CE 3.24Å; E47-K51 WeakPolarHBondContact OE1-CE 3.48Å; E47-K51 IonicContact OE1-NZ 3.22Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å
48L91.5Very high88.7Confident3 Ų361.4 Ų61.42%0.01629%0.291CS..Hα-helixtrans-63.9-42179.5-174.966.3000111.6F7 W8 N11 L14 I15 I18 K44 Y45 M46 K51 F52 I71F7-L48 HydrophobicContact CE1-CD1 3.96Å; F7-L48 HydrophobicContact CZ-CD1 4.01Å; W8-L48 HydrophobicContact CH2-CD2 4.11Å; W8-L48 HydrophobicContact CZ3-CD2 4.28Å; N11-L48 HydrophobicContact CB-CD1 4.41Å; L14-L48 HydrophobicContact CD2-CB 3.89Å; L14-L48 HydrophobicContact CD2-CD1 3.94Å; L14-L48 HydrophobicContact CG-CD1 4.48Å; I15-L48 HydrophobicContact CG1-CD1 4.2Å; I18-L48 HydrophobicContact CD1-CB 4.02Å; I18-L48 HydrophobicContact CD1-CD2 3.67Å; I18-L48 HydrophobicContact CD1-CG 4.39Å; K44-L48 WeakPolarHBondContact O-CB 3.33Å; K44-L48 PolarHBondContact O-N 3.04Å; Y45-L48 PolarHBondContact O-N 3.4Å; M46-L48 VanDerWaalsContact C-N 3.35Å; M46-L48 PolarHBondContact O-N 2.97Å; L48-K51 PolarHBondContact O-N 3.1Å; L48-F52 WeakPolarHBondContact O-CB 3.49Å; L48-F52 PolarHBondContact O-N 3.07Å; L48-I71 HydrophobicContact CD2-CD1 3.97Å; L48-I71 HydrophobicContact CD2-CG1 4.07Å; L48-I71 HydrophobicContact CG-CD1 4.01Å
49L93.1Very high89.1Confident7 Ų761.8 Ų61.84%0.03729%0.293CS..Hα-helixtrans-61.6-50176.7-177.161000111Y45 M46 K51 F52 E53 I71 R72 I75 I91Y45-L49 WeakPolarHBondContact O-CB 3.35Å; Y45-L49 PolarHBondContact O-N 3.1Å; M46-L49 PolarHBondContact O-N 3.31Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.49Å; L49-F52 WeakPolarHBondContact O-CB 3.38Å; L49-F52 PolarHBondContact O-N 3.45Å; L49-F52 VanDerWaalsContact O-N 3.08Å; L49-E53 HydrophobicContact CD1-CG 4.09Å; L49-E53 HydrophobicContact CG-CG 4.44Å; L49-E53 WeakPolarHBondContact O-CG 3.44Å; L49-E53 PolarHBondContact O-N 3.41Å; L49-I71 HydrophobicContact CB-CG2 3.72Å; L49-I71 HydrophobicContact CD1-CB 4.48Å; L49-I71 HydrophobicContact CD1-CG2 4.03Å; L49-I71 HydrophobicContact CG-CG2 4.39Å; L49-R72 HydrophobicContact CD1-CG 3.88Å; L49-R72 HydrophobicContact CD2-CG 4.03Å; L49-I75 HydrophobicContact CB-CD1 4Å; L49-I75 HydrophobicContact CD2-CD1 3.67Å; L49-I75 HydrophobicContact CG-CD1 4.41Å; L49-I91 HydrophobicContact CD2-CD1 3.79Å
50H93.5Very high89.3Confident119 Ų11961 Ų6155%0.55129%0.293SS*.Hα-helixtrans-59.2-43.7179.2177.4-104.5000111.7M46 E47 F52 E53 N54M46-H50 WeakPolarHBondContact O-CB 3.34Å; M46-H50 PolarHBondContact O-N 2.98Å; E47-H50 PolarHBondContact O-N 3.34Å; H50-F52 VanDerWaalsContact C-N 3.34Å; H50-F52 PolarHBondContact O-N 3.02Å; H50-E53 PolarHBondContact O-N 3.41Å; H50-N54 PolarHBondContact CE1-ND2 3.21Å; H50-N54 PolarHBondContact ND1-ND2 2.86Å; H50-N54 PolarHBondContact NE2-ND2 2.89Å; H50-N54 VanDerWaalsContact NE2-ND2 3.18Å; H50-N54 WeakPolarHBondContact O-CB 3.43Å; H50-N54 PolarHBondContact O-N 2.9Å; H50-N54 PolarHBondContact O-ND2 3.2Å; H50-N54 VanDerWaalsContact O-ND2 3.12Å
51K93.5Very high89.3Confident77 Ų7762.4 Ų62.434%0.33530%0.3SS..Hα-helixtrans-63.6-39.7174.7-72.3-175.3177.8169.70112.2F7 N11 L14 E47 L48 L49 R55F7-K51 HydrophobicContact CE2-CB 4.01Å; F7-K51 WeakPolarHBondContact CE2-O 3.47Å; F7-K51 HydrophobicContact CZ-CB 4.15Å; N11-K51 WeakPolarHBondContact OD1-CD 3.49Å; L14-K51 HydrophobicContact CD2-CD 4.22Å; E47-K51 HydrophobicContact CG-CD 4.5Å; E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 2.97Å; E47-K51 VanDerWaalsContact OE1-CE 3.24Å; E47-K51 WeakPolarHBondContact OE1-CE 3.48Å; E47-K51 IonicContact OE1-NZ 3.22Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å; L48-K51 PolarHBondContact O-N 3.1Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.49Å; K51-R55 WeakPolarHBondContact O-CB 3.09Å; K51-R55 PolarHBondContact O-N 3.24Å; K51-R55 VanDerWaalsContact O-N 3.08Å
52F91Very high89.4Confident0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-63.9-47.8178.3-170.1-81.7000111.2F7 L48 L49 H50 R55 F56 I59 W68 I71F7-F52 AromaticContact CD1-CD2 3.89Å; F7-F52 HydrophobicContact CD1-CD2 3.89Å; F7-F52 HydrophobicContact CD1-CE2 4.43Å; F7-F52 HydrophobicContact CE1-CB 4.18Å; F7-F52 AromaticContact CE1-CD2 3.58Å; F7-F52 HydrophobicContact CE1-CD2 3.58Å; F7-F52 HydrophobicContact CE1-CE2 4.49Å; F7-F52 HydrophobicContact CE1-CG 4.36Å; F7-F52 HydrophobicContact CE2-CB 4.24Å; F7-F52 VanDerWaalsContact CZ-CA 3.5Å; F7-F52 HydrophobicContact CZ-CB 3.69Å; F7-F52 AromaticContact CZ-CD2 3.94Å; F7-F52 HydrophobicContact CZ-CD2 3.94Å; F7-F52 HydrophobicContact CZ-CG 4.28Å; L48-F52 WeakPolarHBondContact O-CB 3.49Å; L48-F52 PolarHBondContact O-N 3.07Å; L49-F52 WeakPolarHBondContact O-CB 3.38Å; L49-F52 PolarHBondContact O-N 3.45Å; L49-F52 VanDerWaalsContact O-N 3.08Å; H50-F52 VanDerWaalsContact C-N 3.34Å; H50-F52 PolarHBondContact O-N 3.02Å; F52-R55 PolarHBondContact O-N 2.86Å; F52-F56 HydrophobicContact CD1-CD2 4.1Å; F52-F56 HydrophobicContact CD2-CD2 4.09Å; F52-F56 HydrophobicContact CD2-CE2 4.31Å; F52-F56 HydrophobicContact CE1-CB 4.26Å; F52-F56 AromaticContact CE1-CD2 3.91Å; F52-F56 HydrophobicContact CE1-CD2 3.91Å; F52-F56 HydrophobicContact CE1-CG 4.47Å; F52-F56 AromaticContact CE2-CD2 3.91Å; F52-F56 HydrophobicContact CE2-CD2 3.91Å; F52-F56 HydrophobicContact CE2-CE2 4.07Å; F52-F56 HydrophobicContact CG-CD2 4.19Å; F52-F56 AromaticContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CE2 4.34Å; F52-F56 WeakPolarHBondContact O-CD2 3.19Å; F52-F56 PolarHBondContact O-N 3.2Å; F52-I59 HydrophobicContact CE1-CD1 4.04Å; F52-W68 HydrophobicContact CD1-CB 4.27Å; F52-W68 HydrophobicContact CE1-CB 3.72Å; F52-W68 HydrophobicContact CE1-CG 4.4Å; F52-W68 HydrophobicContact CZ-CB 4.29Å; F52-I71 HydrophobicContact CB-CD1 4.38Å; F52-I71 HydrophobicContact CD2-CD1 4.23Å; F52-I71 HydrophobicContact CG-CD1 4.36Å
53E90.8Very high89.3Confident60 Ų6062.2 Ų62.228%0.2830%0.302SS..Hα-helixtrans-68.8-34.7-178.7-68.2-176.5157.900112.3L49 H50 F56 P57 W68 R72L49-E53 HydrophobicContact CD1-CG 4.09Å; L49-E53 HydrophobicContact CG-CG 4.44Å; L49-E53 WeakPolarHBondContact O-CG 3.44Å; L49-E53 PolarHBondContact O-N 3.41Å; H50-E53 PolarHBondContact O-N 3.41Å; E53-F56 CarbonylContact O-C 3.17Å; E53-F56 PolarHBondContact O-N 2.82Å; E53-P57 VanDerWaalsContact O-CA 3.29Å; E53-P57 WeakPolarHBondContact O-CA 3.49Å; E53-P57 VanDerWaalsContact O-N 3.11Å; E53-W68 PolarHBondContact OE1-NE1 2.96Å; E53-R72 IonicContact OE1-CZ 2.73Å; E53-R72 IonicContact OE1-NE 3.04Å; E53-R72 PolarHBondContact OE1-NE 3.3Å; E53-R72 IonicContact OE1-NH2 3.28Å; E53-R72 PolarHBondContact OE1-NH2 3.38Å; E53-R72 IonicContact OE2-NH2 3.98Å
54N92.2Very high89.2Confident101 Ų10157.6 Ų57.654%0.5428%0.28SS..Hα-helixtrans-65.6-38.8172-73.7-25.8000112.6H50H50-N54 PolarHBondContact CE1-ND2 3.21Å; H50-N54 PolarHBondContact ND1-ND2 2.86Å; H50-N54 PolarHBondContact NE2-ND2 2.89Å; H50-N54 VanDerWaalsContact NE2-ND2 3.18Å; H50-N54 WeakPolarHBondContact O-CB 3.43Å; H50-N54 PolarHBondContact O-N 2.9Å; H50-N54 PolarHBondContact O-ND2 3.2Å; H50-N54 VanDerWaalsContact O-ND2 3.12Å
55R91.3Very high89.2Confident146 Ų14655 Ų5555%0.55127%0.269SS*.Hα-helixtrans-74.7-34.5177.8-173.362.5163.3-176.2-6.8112.1F7 K51 F52F7-R55 HydrophobicContact CD2-CB 3.93Å; F7-R55 HydrophobicContact CD2-CG 3.99Å; F7-R55 HydrophobicContact CE2-CB 4.26Å; K51-R55 WeakPolarHBondContact O-CB 3.09Å; K51-R55 PolarHBondContact O-N 3.24Å; K51-R55 VanDerWaalsContact O-N 3.08Å; F52-R55 PolarHBondContact O-N 2.86Å
56F89.2Confident89.1Confident17 Ų1755 Ų558%0.07527%0.269CS..  trans-128.175.7-177.8-52.5-69.4000111R3 V4 F7 F52 E53 K58 H64R3-F56 HydrophobicContact CB-CE1 4.06Å; R3-F56 HydrophobicContact CB-CZ 4.37Å; V4-F56 HydrophobicContact CG2-CE2 4.46Å; V4-F56 HydrophobicContact CG2-CZ 4.15Å; F7-F56 HydrophobicContact CB-CE2 3.75Å; F7-F56 HydrophobicContact CB-CZ 3.99Å; F7-F56 HydrophobicContact CD2-CE2 4.1Å; F7-F56 AromaticContact CG-CE2 3.87Å; F7-F56 HydrophobicContact CG-CE2 3.87Å; F52-F56 HydrophobicContact CD1-CD2 4.1Å; F52-F56 HydrophobicContact CD2-CD2 4.09Å; F52-F56 HydrophobicContact CD2-CE2 4.31Å; F52-F56 HydrophobicContact CE1-CB 4.26Å; F52-F56 AromaticContact CE1-CD2 3.91Å; F52-F56 HydrophobicContact CE1-CD2 3.91Å; F52-F56 HydrophobicContact CE1-CG 4.47Å; F52-F56 AromaticContact CE2-CD2 3.91Å; F52-F56 HydrophobicContact CE2-CD2 3.91Å; F52-F56 HydrophobicContact CE2-CE2 4.07Å; F52-F56 HydrophobicContact CG-CD2 4.19Å; F52-F56 AromaticContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CE2 4.34Å; F52-F56 WeakPolarHBondContact O-CD2 3.19Å; F52-F56 PolarHBondContact O-N 3.2Å; E53-F56 CarbonylContact O-C 3.17Å; E53-F56 PolarHBondContact O-N 2.82Å; F56-K58 PolarHBondContact O-N 2.9Å; F56-H64 AromaticContact CD1-CD2 3.84Å; F56-H64 AromaticContact CD1-NE2 3.58Å; F56-H64 AromaticContact CE1-NE2 3.66Å
57P85.7Confident88.8Confident111 Ų11152.7 Ų52.772%0.72126%0.257SS*.SBendtrans-62.8-16.7-178.4-23.734000114.2E53E53-P57 VanDerWaalsContact O-CA 3.29Å; E53-P57 WeakPolarHBondContact O-CA 3.49Å; E53-P57 VanDerWaalsContact O-N 3.11Å
58K84.9Confident88.7Confident160 Ų16049.8 Ų49.870%0.69624%0.242SC*.SBendtrans-129.8130.5177.2-63.7-173.7179.6-176.50110.6F56 I60F56-K58 PolarHBondContact O-N 2.9Å; K58-I60 HydrophobicContact CB-CG2 3.86Å; K58-I60 PolarHBondContact O-N 3Å
59I85.4Confident88.7Confident14 Ų1449.6 Ų49.67%0.07224%0.242CC..  trans-85.178.2-179.8-55.3-57.2000110F52 H64 F65 W68 T101 C102F52-I59 HydrophobicContact CE1-CD1 4.04Å; I59-H64 HydrophobicContact CD1-CB 4.32Å; I59-H64 HydrophobicContact CG2-CB 3.98Å; I59-F65 HydrophobicContact CG2-CB 3.75Å; I59-F65 HydrophobicContact CG2-CD2 4.38Å; I59-W68 HydrophobicContact CD1-CB 3.94Å; I59-W68 HydrophobicContact CD1-CD2 4.12Å; I59-W68 HydrophobicContact CD1-CG 3.75Å; I59-W68 HydrophobicContact CG1-CD2 4.03Å; I59-W68 HydrophobicContact CG1-CE3 4.29Å; I59-W68 HydrophobicContact CG1-CG 4.22Å; I59-T101 HydrophobicContact CB-CG2 4.23Å; I59-T101 HydrophobicContact CG2-CG2 4.33Å; I59-T101 CarbonylContact O-C 3.09Å; I59-T101 VanDerWaalsContact O-C 3.23Å; I59-T101 VanDerWaalsContact O-CA 3.23Å; I59-T101 WeakPolarHBondContact O-CA 3.31Å; I59-C102 PolarHBondContact O-N 3.04Å
60I84.1Confident88.6Confident105 Ų10549.4 Ų49.454%0.53824%0.241SC..  trans-90.5-10.5-169.957.8169.3000115.5K58 H64 C102K58-I60 HydrophobicContact CB-CG2 3.86Å; K58-I60 PolarHBondContact O-N 3Å; I60-H64 WeakPolarHBondContact CG1-ND1 3.32Å; I60-C102 PolarHBondContact O-SG 2.93Å; I60-C102 VanDerWaalsContact O-SG 3.37Å
61T85.4Confident88.4Confident48 Ų4843.8 Ų43.829%0.29421%0.214SC..SBendtrans-131.9156.5-179.770.90000110.9T63 H64 F65T61-T63 PolarHBondContact O-N 3.36Å; T61-H64 PolarHBondContact N-ND1 3.15Å; T61-H64 WeakPolarHBondContact O-CB 3.43Å; T61-H64 PolarHBondContact O-N 3.49Å; T61-H64 PolarHBondContact OG1-CE1 3.41Å; T61-H64 VanDerWaalsContact OG1-CG 3.24Å; T61-H64 PolarHBondContact OG1-N 2.87Å; T61-H64 VanDerWaalsContact OG1-N 3.07Å; T61-H64 PolarHBondContact OG1-ND1 3.02Å; T61-F65 PolarHBondContact O-N 3.01Å
62A83.8Confident88.5Confident6 Ų641.4 Ų41.45%0.0520%0.203CC..Hα-helixtrans-60.7-31.3172.700000113.1F65 L66 V105 L130 M133 I134A62-F65 PolarHBondContact O-N 3.44Å; A62-L66 VanDerWaalsContact O-CB 3.3Å; A62-L66 WeakPolarHBondContact O-CB 3.23Å; A62-L66 PolarHBondContact O-N 3.42Å; A62-V105 HydrophobicContact CB-CG2 3.87Å; A62-L130 HydrophobicContact CB-CD2 3.34Å; A62-M133 HydrophobicContact CB-SD 4.25Å; A62-I134 HydrophobicContact CB-CG2 4.36Å
63T84.8Confident88.5Confident22 Ų2241.5 Ų41.514%0.13520%0.204CC..Hα-helixtrans-62-46.6171.2-42.90000110.8V4 T61 F65 L66 Y67 M133V4-T63 HydrophobicContact CB-CG2 4.36Å; V4-T63 HydrophobicContact CG1-CG2 4.47Å; V4-T63 HydrophobicContact CG2-CG2 4.2Å; T61-T63 PolarHBondContact O-N 3.36Å; T63-F65 VanDerWaalsContact C-N 3.31Å; T63-F65 PolarHBondContact O-N 3.44Å; T63-L66 PolarHBondContact O-N 2.92Å; T63-Y67 HydrophobicContact CG2-CD2 3.93Å; T63-Y67 HydrophobicContact CG2-CE2 3.61Å; T63-Y67 WeakPolarHBondContact O-CD2 3.24Å; T63-Y67 PolarHBondContact O-N 2.83Å; T63-M133 HydrophobicContact CG2-CE 3.96Å
64H87.6Confident88.4Confident14 Ų1440.3 Ų40.37%0.06520%0.198CC..Hα-helixtrans-59-45.4176-62.1134.7000111.1V4 F56 I59 I60 T61 W68V4-H64 VanDerWaalsContact CG2-CD2 3.41Å; V4-H64 WeakPolarHBondContact CG2-CD2 3.25Å; F56-H64 AromaticContact CD1-CD2 3.84Å; F56-H64 AromaticContact CD1-NE2 3.58Å; F56-H64 AromaticContact CE1-NE2 3.66Å; I59-H64 HydrophobicContact CD1-CB 4.32Å; I59-H64 HydrophobicContact CG2-CB 3.98Å; I60-H64 WeakPolarHBondContact CG1-ND1 3.32Å; T61-H64 PolarHBondContact N-ND1 3.15Å; T61-H64 WeakPolarHBondContact O-CB 3.43Å; T61-H64 PolarHBondContact O-N 3.49Å; T61-H64 PolarHBondContact OG1-CE1 3.41Å; T61-H64 VanDerWaalsContact OG1-CG 3.24Å; T61-H64 PolarHBondContact OG1-N 2.87Å; T61-H64 VanDerWaalsContact OG1-N 3.07Å; T61-H64 PolarHBondContact OG1-ND1 3.02Å; H64-W68 WeakPolarHBondContact O-CB 3.49Å; H64-W68 PolarHBondContact O-N 3.38Å
65F89.3Confident88.4Confident0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-60.3-48.1178.4179-93.7000112I59 T61 A62 T63 Y67 W68 S69 T101 V105 I109 I134 V137I59-F65 HydrophobicContact CG2-CB 3.75Å; I59-F65 HydrophobicContact CG2-CD2 4.38Å; T61-F65 PolarHBondContact O-N 3.01Å; A62-F65 PolarHBondContact O-N 3.44Å; T63-F65 VanDerWaalsContact C-N 3.31Å; T63-F65 PolarHBondContact O-N 3.44Å; F65-Y67 PolarHBondContact O-N 2.92Å; F65-W68 HydrophobicContact CD2-CE3 4.09Å; F65-W68 HydrophobicContact CD2-CZ3 4.15Å; F65-W68 HydrophobicContact CE2-CE3 4.37Å; F65-W68 HydrophobicContact CE2-CZ3 4.11Å; F65-W68 PolarHBondContact O-N 3.17Å; F65-S69 VanDerWaalsContact CE2-OG 3.3Å; F65-S69 WeakPolarHBondContact CE2-OG 3.28Å; F65-S69 VanDerWaalsContact CZ-OG 3.24Å; F65-S69 WeakPolarHBondContact CZ-OG 3.47Å; F65-S69 VanDerWaalsContact O-CB 3.27Å; F65-S69 WeakPolarHBondContact O-CB 3.4Å; F65-S69 PolarHBondContact O-N 3.3Å; F65-S69 PolarHBondContact O-OG 3.05Å; F65-T101 HydrophobicContact CD2-CG2 4.38Å; F65-V105 HydrophobicContact CB-CG1 4.37Å; F65-V105 HydrophobicContact CD1-CG1 3.77Å; F65-V105 HydrophobicContact CD2-CG1 3.8Å; F65-V105 HydrophobicContact CE1-CG1 3.95Å; F65-V105 HydrophobicContact CE2-CG1 3.97Å; F65-V105 HydrophobicContact CG-CG1 3.7Å; F65-V105 HydrophobicContact CZ-CG1 4.05Å; F65-I109 HydrophobicContact CE1-CD1 4.21Å; F65-I109 HydrophobicContact CE2-CD1 3.76Å; F65-I109 HydrophobicContact CZ-CD1 3.43Å; F65-I109 VanDerWaalsContact CZ-CD1 3.43Å; F65-I134 HydrophobicContact CD1-CD1 4.35Å; F65-I134 HydrophobicContact CD1-CG2 4.31Å; F65-I134 HydrophobicContact CE1-CD1 4.21Å; F65-V137 HydrophobicContact CE1-CG1 4.19Å
66L88.1Confident88.5Confident0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-52.6-54.9-178.5-177.465.3000112A62 T63 F70 M133 I134 V137 E190 L195A62-L66 VanDerWaalsContact O-CB 3.3Å; A62-L66 WeakPolarHBondContact O-CB 3.23Å; A62-L66 PolarHBondContact O-N 3.42Å; T63-L66 PolarHBondContact O-N 2.92Å; L66-F70 HydrophobicContact CD1-CD2 3.87Å; L66-F70 HydrophobicContact CD1-CE2 3.27Å; L66-F70 HydrophobicContact CD1-CZ 3.94Å; L66-F70 HydrophobicContact CD2-CE2 4.46Å; L66-F70 HydrophobicContact CG-CD2 3.92Å; L66-F70 HydrophobicContact CG-CE2 3.68Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 WeakPolarHBondContact O-CD2 3.34Å; L66-F70 WeakPolarHBondContact O-CG 3.37Å; L66-F70 PolarHBondContact O-N 2.92Å; L66-M133 HydrophobicContact CD2-CE 3.79Å; L66-M133 HydrophobicContact CD2-CG 3.99Å; L66-I134 HydrophobicContact CB-CG2 4.41Å; L66-I134 HydrophobicContact CD1-CB 4.4Å; L66-I134 HydrophobicContact CD1-CG2 4.25Å; L66-V137 HydrophobicContact CD1-CB 4.04Å; L66-V137 HydrophobicContact CD1-CG1 3.72Å; L66-E190 HydrophobicContact CD2-CB 4.22Å; L66-E190 WeakPolarHBondContact CD2-OE2 3.47Å; L66-L195 HydrophobicContact CD2-CD1 3.62Å; L66-L195 HydrophobicContact CG-CD1 4.01Å
67Y87.3Confident88.4Confident20 Ų2030.2 Ų30.28%0.07815%0.153CC..Hα-helixtrans-68.5-43.5-178.8-71.9-74.4000112.3V4 W8 T63 F65 F70 I71 L195V4-Y67 HydrophobicContact CG1-CD2 3.43Å; V4-Y67 VanDerWaalsContact CG1-CD2 3.43Å; V4-Y67 HydrophobicContact CG1-CE2 3.45Å; V4-Y67 VanDerWaalsContact CG1-CE2 3.45Å; V4-Y67 HydrophobicContact CG1-CG 4.14Å; W8-Y67 HydrophobicContact CD2-CE1 4.5Å; W8-Y67 AromaticContact CE2-CD1 3.5Å; W8-Y67 VanDerWaalsContact CE2-CD1 3.5Å; W8-Y67 AromaticContact CE2-CE1 3.48Å; W8-Y67 VanDerWaalsContact CE2-CE1 3.48Å; W8-Y67 HydrophobicContact CH2-CD1 4.17Å; W8-Y67 AromaticContact CZ2-CD1 3.14Å; W8-Y67 HydrophobicContact CZ2-CD1 3.14Å; W8-Y67 AromaticContact CZ2-CE1 3.58Å; W8-Y67 HydrophobicContact CZ2-CE1 3.58Å; W8-Y67 AromaticContact CZ2-CG 3.88Å; W8-Y67 HydrophobicContact CZ2-CG 3.88Å; W8-Y67 AromaticContact NE1-CD1 3.44Å; W8-Y67 AromaticContact NE1-CE1 3.18Å; W8-Y67 AromaticContact NE1-CE2 3.98Å; W8-Y67 AromaticContact NE1-CG 3.85Å; W8-Y67 AromaticContact NE1-CZ 3.5Å; T63-Y67 HydrophobicContact CG2-CD2 3.93Å; T63-Y67 HydrophobicContact CG2-CE2 3.61Å; T63-Y67 WeakPolarHBondContact O-CD2 3.24Å; T63-Y67 PolarHBondContact O-N 2.83Å; F65-Y67 PolarHBondContact O-N 2.92Å; Y67-F70 PolarHBondContact O-N 3.35Å; Y67-I71 VanDerWaalsContact O-CG1 3.3Å; Y67-I71 WeakPolarHBondContact O-CG1 3.37Å; Y67-I71 PolarHBondContact O-N 3.41Å; Y67-L195 HydrophobicContact CD1-CD1 4.12Å; Y67-L195 HydrophobicContact CE1-CB 3.74Å; Y67-L195 HydrophobicContact CE1-CD1 3.68Å; Y67-L195 HydrophobicContact CE1-CG 4.19Å
68W91.1Very high88.5Confident15 Ų1525.3 Ų25.36%0.05712%0.121CC..Hα-helixtrans-58.6-49.1178176.472000112.1F52 E53 I59 H64 F65 F70 I71 R72 P94 C95F52-W68 HydrophobicContact CD1-CB 4.27Å; F52-W68 HydrophobicContact CE1-CB 3.72Å; F52-W68 HydrophobicContact CE1-CG 4.4Å; F52-W68 HydrophobicContact CZ-CB 4.29Å; E53-W68 PolarHBondContact OE1-NE1 2.96Å; I59-W68 HydrophobicContact CD1-CB 3.94Å; I59-W68 HydrophobicContact CD1-CD2 4.12Å; I59-W68 HydrophobicContact CD1-CG 3.75Å; I59-W68 HydrophobicContact CG1-CD2 4.03Å; I59-W68 HydrophobicContact CG1-CE3 4.29Å; I59-W68 HydrophobicContact CG1-CG 4.22Å; H64-W68 WeakPolarHBondContact O-CB 3.49Å; H64-W68 PolarHBondContact O-N 3.38Å; F65-W68 HydrophobicContact CD2-CE3 4.09Å; F65-W68 HydrophobicContact CD2-CZ3 4.15Å; F65-W68 HydrophobicContact CE2-CE3 4.37Å; F65-W68 HydrophobicContact CE2-CZ3 4.11Å; F65-W68 PolarHBondContact O-N 3.17Å; W68-F70 PolarHBondContact O-N 3.5Å; W68-I71 PolarHBondContact O-N 2.93Å; W68-R72 VanDerWaalsContact CE2-CD 3.47Å; W68-R72 VanDerWaalsContact CZ2-NE 3.29Å; W68-R72 WeakPolarHBondContact O-CG 3.41Å; W68-R72 PolarHBondContact O-N 2.93Å; W68-R72 VanDerWaalsContact O-N 3.1Å; W68-P94 HydrophobicContact CH2-CB 3.8Å; W68-P94 HydrophobicContact CZ2-CB 4.06Å; W68-C95 HydrophobicContact CZ3-CB 4.28Å
69S91.1Very high88.7Confident0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-68.2-34.8179.9-65.40000112.6F65 R72 T73 C95F65-S69 VanDerWaalsContact CE2-OG 3.3Å; F65-S69 WeakPolarHBondContact CE2-OG 3.28Å; F65-S69 VanDerWaalsContact CZ-OG 3.24Å; F65-S69 WeakPolarHBondContact CZ-OG 3.47Å; F65-S69 VanDerWaalsContact O-CB 3.27Å; F65-S69 WeakPolarHBondContact O-CB 3.4Å; F65-S69 PolarHBondContact O-N 3.3Å; F65-S69 PolarHBondContact O-OG 3.05Å; S69-R72 PolarHBondContact O-N 3.27Å; S69-T73 PolarHBondContact O-N 2.86Å; S69-T73 PolarHBondContact O-OG1 3.3Å; S69-C95 PolarHBondContact OG-SG 3.33Å; S69-C95 VanDerWaalsContact OG-SG 3.42Å
70F90.4Very high88.8Confident3 Ų320.4 Ų20.41%0.01310%0.099CC..Hα-helixtrans-64.4-45174.3-87.1-45.8000113L66 Y67 W68 R72 T73 K74 V137 I140 E190 F191 L192 L195L66-F70 HydrophobicContact CD1-CD2 3.87Å; L66-F70 HydrophobicContact CD1-CE2 3.27Å; L66-F70 HydrophobicContact CD1-CZ 3.94Å; L66-F70 HydrophobicContact CD2-CE2 4.46Å; L66-F70 HydrophobicContact CG-CD2 3.92Å; L66-F70 HydrophobicContact CG-CE2 3.68Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 WeakPolarHBondContact O-CD2 3.34Å; L66-F70 WeakPolarHBondContact O-CG 3.37Å; L66-F70 PolarHBondContact O-N 2.92Å; Y67-F70 PolarHBondContact O-N 3.35Å; W68-F70 PolarHBondContact O-N 3.5Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 3.29Å; F70-T73 WeakPolarHBondContact CA-OG1 3.42Å; F70-T73 PolarHBondContact O-N 3.44Å; F70-T73 PolarHBondContact O-OG1 3.2Å; F70-K74 WeakPolarHBondContact O-CG 3.5Å; F70-K74 PolarHBondContact O-N 3.12Å; F70-V137 HydrophobicContact CD1-CB 3.8Å; F70-V137 HydrophobicContact CD1-CG2 3.58Å; F70-V137 HydrophobicContact CD2-CB 4.33Å; F70-V137 HydrophobicContact CD2-CG2 4.46Å; F70-V137 VanDerWaalsContact CE1-CA 3.41Å; F70-V137 HydrophobicContact CE1-CB 3.45Å; F70-V137 VanDerWaalsContact CE1-CB 3.45Å; F70-V137 HydrophobicContact CE1-CG2 3.78Å; F70-V137 HydrophobicContact CE2-CB 4.05Å; F70-V137 HydrophobicContact CG-CB 4.19Å; F70-V137 HydrophobicContact CG-CG2 3.91Å; F70-V137 HydrophobicContact CZ-CB 3.56Å; F70-V137 HydrophobicContact CZ-CG2 4.29Å; F70-I140 HydrophobicContact CE1-CD1 4.14Å; F70-E190 WeakPolarHBondContact CZ-O 3.29Å; F70-F191 VanDerWaalsContact CZ-CA 3.49Å; F70-L192 HydrophobicContact CB-CB 3.88Å; F70-L192 HydrophobicContact CB-CD1 3.87Å; F70-L192 HydrophobicContact CB-CD2 4.12Å; F70-L192 HydrophobicContact CB-CG 4.15Å; F70-L192 HydrophobicContact CD1-CB 3.92Å; F70-L192 HydrophobicContact CD2-CB 3.96Å; F70-L192 HydrophobicContact CD2-CD1 4.37Å; F70-L192 HydrophobicContact CE1-CB 4.47Å; F70-L192 HydrophobicContact CE2-CB 4.48Å; F70-L192 HydrophobicContact CG-CB 3.68Å; F70-L192 HydrophobicContact CG-CD1 4.35Å; F70-L192 HydrophobicContact CG-CG 4.46Å; F70-L195 HydrophobicContact CD2-CD1 4.1Å; F70-L195 HydrophobicContact CE2-CD1 3.87Å
71I90.4Very high88.8Confident0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-60.3-47.5177.1-65163.4000109.3Y45 L48 L49 F52 Y67 W68 T73 K74 I75Y45-I71 HydrophobicContact CD1-CG2 4.38Å; L48-I71 HydrophobicContact CD2-CD1 3.97Å; L48-I71 HydrophobicContact CD2-CG1 4.07Å; L48-I71 HydrophobicContact CG-CD1 4.01Å; L49-I71 HydrophobicContact CB-CG2 3.72Å; L49-I71 HydrophobicContact CD1-CB 4.48Å; L49-I71 HydrophobicContact CD1-CG2 4.03Å; L49-I71 HydrophobicContact CG-CG2 4.39Å; F52-I71 HydrophobicContact CB-CD1 4.38Å; F52-I71 HydrophobicContact CD2-CD1 4.23Å; F52-I71 HydrophobicContact CG-CD1 4.36Å; Y67-I71 VanDerWaalsContact O-CG1 3.3Å; Y67-I71 WeakPolarHBondContact O-CG1 3.37Å; Y67-I71 PolarHBondContact O-N 3.41Å; W68-I71 PolarHBondContact O-N 2.93Å; I71-T73 PolarHBondContact O-N 3.46Å; I71-K74 PolarHBondContact O-N 3.23Å; I71-I75 HydrophobicContact CG2-CD1 3.89Å; I71-I75 WeakPolarHBondContact O-CG1 3.27Å; I71-I75 PolarHBondContact O-N 3.31Å
72R93.6Very high88.6Confident28 Ų2822.4 Ų22.411%0.10610%0.104CC..Hα-helixtrans-62.1-40.5178-73.8179.4165.5-100.63.1113.2L49 E53 W68 S69 F70 I75 A76 I91L49-R72 HydrophobicContact CD1-CG 3.88Å; L49-R72 HydrophobicContact CD2-CG 4.03Å; E53-R72 IonicContact OE1-CZ 2.73Å; E53-R72 IonicContact OE1-NE 3.04Å; E53-R72 PolarHBondContact OE1-NE 3.3Å; E53-R72 IonicContact OE1-NH2 3.28Å; E53-R72 PolarHBondContact OE1-NH2 3.38Å; E53-R72 IonicContact OE2-NH2 3.98Å; W68-R72 VanDerWaalsContact CE2-CD 3.47Å; W68-R72 VanDerWaalsContact CZ2-NE 3.29Å; W68-R72 WeakPolarHBondContact O-CG 3.41Å; W68-R72 PolarHBondContact O-N 2.93Å; W68-R72 VanDerWaalsContact O-N 3.1Å; S69-R72 PolarHBondContact O-N 3.27Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 3.29Å; R72-I75 PolarHBondContact O-N 3.13Å; R72-A76 PolarHBondContact O-N 3.44Å; R72-I91 HydrophobicContact CB-CG1 4.43Å; R72-I91 WeakPolarHBondContact CD-O 3.44Å; R72-I91 HydrophobicContact CG-CG1 4.27Å; R72-I91 PolarHBondContact NH1-O 3.21Å
73T91.8Very high88.7Confident2 Ų230.3 Ų30.31%0.01214%0.14CC..Hα-helixtrans-67.6-35176.2250000113.1S69 F70 I71 A76 K77 V92 I140 L141 V144S69-T73 PolarHBondContact O-N 2.86Å; S69-T73 PolarHBondContact O-OG1 3.3Å; F70-T73 WeakPolarHBondContact CA-OG1 3.42Å; F70-T73 PolarHBondContact O-N 3.44Å; F70-T73 PolarHBondContact O-OG1 3.2Å; I71-T73 PolarHBondContact O-N 3.46Å; T73-A76 PolarHBondContact O-N 3.02Å; T73-K77 WeakPolarHBondContact O-CG 3.4Å; T73-K77 PolarHBondContact O-N 3.29Å; T73-V92 HydrophobicContact CG2-CG1 3.89Å; T73-I140 HydrophobicContact CG2-CG2 4.05Å; T73-L141 HydrophobicContact CG2-CB 3.93Å; T73-L141 HydrophobicContact CG2-CD1 3.77Å; T73-L141 HydrophobicContact CG2-CG 4.48Å; T73-V144 HydrophobicContact CG2-CB 4.44Å; T73-V144 HydrophobicContact CG2-CG2 4.27Å
74K88.7Confident88.8Confident35 Ų3532 Ų3215%0.15215%0.148CC..Hα-helixtrans-65.4-42.4173-72.6-81.5-176.6155.80111.2E22 Y45 F70 I71 K77 N78 L192 D193E22-K74 IonicContact OE1-NZ 3.03Å; E22-K74 PolarHBondContact OE1-NZ 3.48Å; Y45-K74 HydrophobicContact CD1-CB 4.38Å; Y45-K74 HydrophobicContact CD2-CB 4.36Å; Y45-K74 HydrophobicContact CE1-CB 4.04Å; Y45-K74 HydrophobicContact CE1-CG 4.3Å; Y45-K74 HydrophobicContact CE2-CB 3.99Å; F70-K74 WeakPolarHBondContact O-CG 3.5Å; F70-K74 PolarHBondContact O-N 3.12Å; I71-K74 PolarHBondContact O-N 3.23Å; K74-K77 PolarHBondContact O-N 3Å; K74-N78 PolarHBondContact O-N 2.93Å; K74-N78 VanDerWaalsContact O-N 3.16Å; K74-L192 HydrophobicContact CD-CD2 4.47Å; K74-L192 HydrophobicContact CG-CD2 3.78Å; K74-D193 IonicContact NZ-OD1 3.68Å; K74-D193 PolarHBondContact NZ-OD1 2.91Å; K74-D193 IonicContact NZ-OD2 3.97Å
75I92.2Very high88.8Confident0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-61.9-45.1175.2-64.2161.2000111.1Y45 M46 L49 I71 R72 K77 N78 Y79 I91Y45-I75 HydrophobicContact CG-CG1 4.42Å; M46-I75 HydrophobicContact SD-CD1 3.78Å; M46-I75 HydrophobicContact SD-CG1 4.31Å; M46-I75 HydrophobicContact SD-CG2 3.82Å; L49-I75 HydrophobicContact CB-CD1 4Å; L49-I75 HydrophobicContact CD2-CD1 3.67Å; L49-I75 HydrophobicContact CG-CD1 4.41Å; I71-I75 HydrophobicContact CG2-CD1 3.89Å; I71-I75 WeakPolarHBondContact O-CG1 3.27Å; I71-I75 PolarHBondContact O-N 3.31Å; R72-I75 PolarHBondContact O-N 3.13Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 3.26Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 3.33Å; I75-N78 VanDerWaalsContact O-N 3.16Å; I75-Y79 HydrophobicContact CG2-CD2 3.79Å; I75-Y79 HydrophobicContact CG2-CE2 3.54Å; I75-Y79 PolarHBondContact O-N 3.45Å; I75-I91 HydrophobicContact CB-CG1 4.19Å; I75-I91 HydrophobicContact CG2-CG1 3.9Å; I75-I91 HydrophobicContact CG2-CG2 4.24Å
76A92.6Very high88.7Confident0 Ų037.1 Ų37.10%017%0.171CC..Hα-helixtrans-61-38.5176.800000113R72 T73 N78 Y79 L80 A88 I91 V92 V144R72-A76 PolarHBondContact O-N 3.44Å; T73-A76 PolarHBondContact O-N 3.02Å; A76-N78 VanDerWaalsContact C-N 3.34Å; A76-N78 PolarHBondContact O-N 3.18Å; A76-Y79 PolarHBondContact O-N 2.86Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 3.4Å; A76-A88 HydrophobicContact CB-CB 4.27Å; A76-I91 HydrophobicContact CB-CG2 3.59Å; A76-V92 HydrophobicContact CB-CB 4.44Å; A76-V92 HydrophobicContact CB-CG1 3.46Å; A76-V92 VanDerWaalsContact CB-CG1 3.46Å; A76-V92 HydrophobicContact CB-CG2 4.24Å; A76-V144 HydrophobicContact CB-CG1 3.7Å
77K88.9Confident88.8Confident51 Ų5138.5 Ų38.522%0.22218%0.181CC..Hα-helixtrans-60.3-43.8173.8-75.7179.7175.2-176.70111.5T73 K74 I75 Y79 L80 E81 V144 E227T73-K77 WeakPolarHBondContact O-CG 3.4Å; T73-K77 PolarHBondContact O-N 3.29Å; K74-K77 PolarHBondContact O-N 3Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 3.26Å; K77-Y79 VanDerWaalsContact C-N 3.34Å; K77-Y79 PolarHBondContact O-N 3.37Å; K77-L80 WeakPolarHBondContact O-CB 3.46Å; K77-L80 PolarHBondContact O-N 2.99Å; K77-E81 WeakPolarHBondContact O-CG 3.49Å; K77-E81 PolarHBondContact O-N 2.94Å; K77-V144 HydrophobicContact CD-CG2 4.31Å; K77-V144 HydrophobicContact CG-CG2 3.74Å; K77-E227 IonicContact NZ-OE1 3.48Å
78N86.6Confident89Confident9 Ų937.5 Ų37.55%0.04818%0.177CC..Hα-helixtrans-62.7-39.9175.4-67-6.8000112H42 K74 I75 A76 E81 M82H42-N78 HydrophobicContact CB-CB 4.43Å; K74-N78 PolarHBondContact O-N 2.93Å; K74-N78 VanDerWaalsContact O-N 3.16Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 3.33Å; I75-N78 VanDerWaalsContact O-N 3.16Å; A76-N78 VanDerWaalsContact C-N 3.34Å; A76-N78 PolarHBondContact O-N 3.18Å; N78-E81 PolarHBondContact O-N 3.3Å; N78-M82 WeakPolarHBondContact O-CG 3.25Å; N78-M82 PolarHBondContact O-N 2.98Å; N78-M82 VanDerWaalsContact O-N 3.09Å
79Y89.8Confident88.9Confident39 Ų3937.1 Ų37.115%0.15318%0.176CC..Hα-helixtrans-63.6-41.1174.4-81.3-54.9000112.4H42 I75 A76 K77 E81 M82 E83 D84 S87 I91H42-Y79 AromaticContact CE1-CE1 3.54Å; H42-Y79 AromaticContact CE1-CE2 3.64Å; H42-Y79 AromaticContact CE1-CZ 3.3Å; H42-Y79 AromaticContact NE2-CZ 3.8Å; I75-Y79 HydrophobicContact CG2-CD2 3.79Å; I75-Y79 HydrophobicContact CG2-CE2 3.54Å; I75-Y79 PolarHBondContact O-N 3.45Å; A76-Y79 PolarHBondContact O-N 2.86Å; K77-Y79 VanDerWaalsContact C-N 3.34Å; K77-Y79 PolarHBondContact O-N 3.37Å; Y79-E81 VanDerWaalsContact C-N 3.34Å; Y79-E81 PolarHBondContact O-N 2.98Å; Y79-M82 CarbonylContact O-C 3.23Å; Y79-M82 WeakPolarHBondContact O-CA 3.4Å; Y79-M82 WeakPolarHBondContact O-CB 3.43Å; Y79-M82 PolarHBondContact O-N 2.87Å; Y79-E83 PolarHBondContact O-N 3.49Å; Y79-E83 VanDerWaalsContact O-N 3.14Å; Y79-D84 HydrophobicContact CD1-CB 4.15Å; Y79-D84 PolarHBondContact O-N 3.27Å; Y79-S87 VanDerWaalsContact CE1-CB 3.47Å; Y79-I91 HydrophobicContact CD2-CG2 4.17Å; Y79-I91 HydrophobicContact CE2-CG2 4.42Å
80L87.5Confident88.9Confident31 Ų3142 Ų4216%0.16220%0.199CC..Hα-helixtrans-62.8-39174.8-74171.4000112.4A76 K77 M82 E83 T85 A88 V144 V147 I148A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 3.4Å; K77-L80 WeakPolarHBondContact O-CB 3.46Å; K77-L80 PolarHBondContact O-N 2.99Å; L80-M82 PolarHBondContact O-N 2.95Å; L80-E83 PolarHBondContact O-N 3.36Å; L80-T85 HydrophobicContact CD2-CG2 4.38Å; L80-A88 HydrophobicContact CD2-CB 4.09Å; L80-A88 HydrophobicContact CG-CB 3.91Å; L80-V144 HydrophobicContact CD1-CG1 4.08Å; L80-V147 HydrophobicContact CD1-CB 4.13Å; L80-V147 HydrophobicContact CD1-CG1 3.8Å; L80-V147 HydrophobicContact CD2-CG1 4.16Å; L80-I148 HydrophobicContact CD1-CG1 4.12Å; L80-I148 HydrophobicContact CD2-CG1 3.75Å; L80-I148 HydrophobicContact CG-CG1 4.23Å
81E82.9Confident89Confident110 Ų11043 Ų4351%0.51420%0.204SC..Hα-helixtrans-65.7-25.2172.7-71.8175.3-175.200112.7N38 K77 N78 Y79 E83N38-E81 PolarHBondContact ND2-OE2 2.77Å; K77-E81 WeakPolarHBondContact O-CG 3.49Å; K77-E81 PolarHBondContact O-N 2.94Å; N78-E81 PolarHBondContact O-N 3.3Å; Y79-E81 VanDerWaalsContact C-N 3.34Å; Y79-E81 PolarHBondContact O-N 2.98Å; E81-E83 VanDerWaalsContact C-N 3.31Å
82M82.9Confident89Confident85 Ų8543 Ų4342%0.41920%0.204SC..THydrogen-bonded Turntrans-908.9172.1-64.4178.8-175.600113N38 K39 H42 N78 Y79 L80 D84N38-M82 HydrophobicContact CB-CE 4.3Å; K39-M82 HydrophobicContact CB-CE 4.44Å; H42-M82 HydrophobicContact CB-CE 4.33Å; N78-M82 WeakPolarHBondContact O-CG 3.25Å; N78-M82 PolarHBondContact O-N 2.98Å; N78-M82 VanDerWaalsContact O-N 3.09Å; Y79-M82 CarbonylContact O-C 3.23Å; Y79-M82 WeakPolarHBondContact O-CA 3.4Å; Y79-M82 WeakPolarHBondContact O-CB 3.43Å; Y79-M82 PolarHBondContact O-N 2.87Å; L80-M82 PolarHBondContact O-N 2.95Å; M82-D84 PolarHBondContact O-N 3.28Å; M82-D84 VanDerWaalsContact O-N 3.16Å
83E84.5Confident88.8Confident173 Ų17345 Ų4581%0.80821%0.212SC*.THydrogen-bonded Turntrans59.817.1-177.1-55.9-177.8172.100114.9Y79 L80 E81 T85Y79-E83 PolarHBondContact O-N 3.49Å; Y79-E83 VanDerWaalsContact O-N 3.14Å; L80-E83 PolarHBondContact O-N 3.36Å; E81-E83 VanDerWaalsContact C-N 3.31Å; E83-T85 PolarHBondContact O-N 3.04Å
84D87.6Confident88.6Confident56 Ų5646.9 Ų46.930%0.29922%0.224SC..  trans-94.382.9177.4-172.9-9.2000111.1Y79 M82 F86 S87 A88Y79-D84 HydrophobicContact CD1-CB 4.15Å; Y79-D84 PolarHBondContact O-N 3.27Å; M82-D84 PolarHBondContact O-N 3.28Å; M82-D84 VanDerWaalsContact O-N 3.16Å; D84-F86 VanDerWaalsContact C-N 3.29Å; D84-F86 PolarHBondContact O-N 3.21Å; D84-F86 PolarHBondContact OD1-N 3.1Å; D84-S87 VanDerWaalsContact CG-CB 3.45Å; D84-S87 WeakPolarHBondContact OD1-CB 3.37Å; D84-S87 PolarHBondContact OD1-N 3.26Å; D84-S87 PolarHBondContact OD1-OG 3.46Å; D84-S87 WeakPolarHBondContact OD2-CB 3.47Å; D84-S87 PolarHBondContact OD2-OG 2.93Å; D84-A88 WeakPolarHBondContact O-CB 3.29Å; D84-A88 PolarHBondContact O-N 3.36Å; D84-A88 VanDerWaalsContact O-N 3.13Å
85T87.4Confident88.7Confident7 Ų745.2 Ų45.24%0.04322%0.217CC..Hα-helixtrans-69-27.8-178.1640000113L80 E83 N89 T151 N152L80-T85 HydrophobicContact CD2-CG2 4.38Å; E83-T85 PolarHBondContact O-N 3.04Å; T85-N89 WeakPolarHBondContact O-CB 3.07Å; T85-N89 PolarHBondContact O-N 3.43Å; T85-T151 WeakPolarHBondContact CG2-OG1 3.22Å; T85-N152 WeakPolarHBondContact CB-OD1 3.5Å; T85-N152 PolarHBondContact OG1-OD1 3.29Å
86F86.9Confident88.4Confident115 Ų11546.2 Ų46.250%0.50422%0.223SC..Hα-helixtrans-70.9-52.7-179.4-177.1-92.2000111D84 A88 N89 E90 F159D84-F86 VanDerWaalsContact C-N 3.29Å; D84-F86 PolarHBondContact O-N 3.21Å; D84-F86 PolarHBondContact OD1-N 3.1Å; F86-A88 VanDerWaalsContact C-N 3.26Å; F86-A88 PolarHBondContact O-N 2.88Å; F86-N89 PolarHBondContact O-N 3.39Å; F86-N89 VanDerWaalsContact O-N 3.07Å; F86-E90 HydrophobicContact CD1-CG 4.04Å; F86-E90 HydrophobicContact CE1-CG 3.63Å; F86-E90 HydrophobicContact CZ-CG 3.88Å; F86-E90 WeakPolarHBondContact O-CG 3.19Å; F86-E90 PolarHBondContact O-N 3.34Å; F86-F159 HydrophobicContact CB-CZ 4.41Å; F86-F159 AromaticContact CD2-CE1 3.76Å; F86-F159 HydrophobicContact CD2-CE1 3.76Å; F86-F159 AromaticContact CD2-CZ 3.87Å; F86-F159 HydrophobicContact CD2-CZ 3.87Å; F86-F159 HydrophobicContact CE2-CE1 4.18Å
87S90.5Very high87.8Confident29 Ų2950 Ų5020%0.20324%0.243CC..Hα-helixtrans-64.4-34.6176.6-58.50000111.6Y79 D84 I91Y79-S87 VanDerWaalsContact CE1-CB 3.47Å; D84-S87 VanDerWaalsContact CG-CB 3.45Å; D84-S87 WeakPolarHBondContact OD1-CB 3.37Å; D84-S87 PolarHBondContact OD1-N 3.26Å; D84-S87 PolarHBondContact OD1-OG 3.46Å; D84-S87 WeakPolarHBondContact OD2-CB 3.47Å; D84-S87 PolarHBondContact OD2-OG 2.93Å; S87-I91 WeakPolarHBondContact O-CB 3.45Å; S87-I91 WeakPolarHBondContact O-CG2 3.37Å; S87-I91 PolarHBondContact O-N 2.69Å
88A91.2Very high86.5Confident0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-59.8-44.6171.200000111.8A76 L80 D84 F86 I91 V92 I148A76-A88 HydrophobicContact CB-CB 4.27Å; L80-A88 HydrophobicContact CD2-CB 4.09Å; L80-A88 HydrophobicContact CG-CB 3.91Å; D84-A88 WeakPolarHBondContact O-CB 3.29Å; D84-A88 PolarHBondContact O-N 3.36Å; D84-A88 VanDerWaalsContact O-N 3.13Å; F86-A88 VanDerWaalsContact C-N 3.26Å; F86-A88 PolarHBondContact O-N 2.88Å; A88-I91 WeakPolarHBondContact O-CG2 3.34Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.32Å; A88-I148 HydrophobicContact CB-CD1 3.95Å; A88-I148 HydrophobicContact CB-CG1 3.98Å
89N90Very high85.1Confident6 Ų658.5 Ų58.53%0.03228%0.28CS..Hα-helixtrans-66.5-49.7177.4-169.858.5000111.9T85 F86 I91 V92 Y93 I148 F159T85-N89 WeakPolarHBondContact O-CB 3.07Å; T85-N89 PolarHBondContact O-N 3.43Å; F86-N89 PolarHBondContact O-N 3.39Å; F86-N89 VanDerWaalsContact O-N 3.07Å; N89-I91 PolarHBondContact O-N 3Å; N89-V92 PolarHBondContact O-N 3.1Å; N89-Y93 WeakPolarHBondContact O-CB 3.44Å; N89-Y93 PolarHBondContact O-N 3.44Å; N89-I148 HydrophobicContact CB-CD1 4.47Å; N89-I148 HydrophobicContact CB-CG2 3.96Å; N89-F159 HydrophobicContact CB-CE1 4.05Å; N89-F159 HydrophobicContact CB-CZ 4.05Å; N89-F159 WeakPolarHBondContact ND2-CE1 3.44Å
90E90.2Very high83.6Confident104 Ų10459.3 Ų59.349%0.48630%0.3SS..Hα-helixtrans-56-37.8-179.2-73.7-66.2109.500112.3F86 P94F86-E90 HydrophobicContact CD1-CG 4.04Å; F86-E90 HydrophobicContact CE1-CG 3.63Å; F86-E90 HydrophobicContact CZ-CG 3.88Å; F86-E90 WeakPolarHBondContact O-CG 3.19Å; F86-E90 PolarHBondContact O-N 3.34Å; E90-P94 WeakPolarHBondContact O-CD 3.44Å
91I92.1Very high82.5Confident22 Ų2258.5 Ų58.511%0.11330%0.296CS..Hα-helixtrans-75.3-34-178.4-158.971.7000113.1L49 R72 I75 A76 Y79 S87 A88 N89L49-I91 HydrophobicContact CD2-CD1 3.79Å; R72-I91 HydrophobicContact CB-CG1 4.43Å; R72-I91 WeakPolarHBondContact CD-O 3.44Å; R72-I91 HydrophobicContact CG-CG1 4.27Å; R72-I91 PolarHBondContact NH1-O 3.21Å; I75-I91 HydrophobicContact CB-CG1 4.19Å; I75-I91 HydrophobicContact CG2-CG1 3.9Å; I75-I91 HydrophobicContact CG2-CG2 4.24Å; A76-I91 HydrophobicContact CB-CG2 3.59Å; Y79-I91 HydrophobicContact CD2-CG2 4.17Å; Y79-I91 HydrophobicContact CE2-CG2 4.42Å; S87-I91 WeakPolarHBondContact O-CB 3.45Å; S87-I91 WeakPolarHBondContact O-CG2 3.37Å; S87-I91 PolarHBondContact O-N 2.69Å; A88-I91 WeakPolarHBondContact O-CG2 3.34Å; N89-I91 PolarHBondContact O-N 3Å
92V92.1Very high82.1Confident0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-97.6-23.5-179.3-74.60000115T73 A76 A88 N89 P94 C95 L141 V144 L145 I148T73-V92 HydrophobicContact CG2-CG1 3.89Å; A76-V92 HydrophobicContact CB-CB 4.44Å; A76-V92 HydrophobicContact CB-CG1 3.46Å; A76-V92 VanDerWaalsContact CB-CG1 3.46Å; A76-V92 HydrophobicContact CB-CG2 4.24Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.32Å; N89-V92 PolarHBondContact O-N 3.1Å; V92-P94 VanDerWaalsContact C-CD 3.41Å; V92-P94 VanDerWaalsContact C-N 3.3Å; V92-C95 WeakPolarHBondContact O-CB 3.39Å; V92-C95 PolarHBondContact O-N 3.5Å; V92-L141 HydrophobicContact CB-CD1 3.82Å; V92-L141 HydrophobicContact CG1-CD1 4.07Å; V92-V144 HydrophobicContact CG1-CG1 4.42Å; V92-V144 HydrophobicContact CG2-CG1 4.31Å; V92-L145 HydrophobicContact CG2-CD2 3.91Å; V92-L145 HydrophobicContact CG2-CG 4.41Å; V92-I148 HydrophobicContact CG2-CD1 3.75Å
93Y88Confident81.9Confident70 Ų7057.5 Ų57.528%0.27530%0.297SS..THydrogen-bonded Turntrans-55.4-37.1-177.6-169.8-107.2000113.9N89 C95 V96 N97 T161N89-Y93 WeakPolarHBondContact O-CB 3.44Å; N89-Y93 PolarHBondContact O-N 3.44Å; Y93-C95 PolarHBondContact O-N 3.43Å; Y93-C95 VanDerWaalsContact O-N 3.12Å; Y93-V96 HydrophobicContact CD2-CG2 4.13Å; Y93-V96 HydrophobicContact CE2-CG2 4.45Å; Y93-V96 WeakPolarHBondContact O-CG2 3.29Å; Y93-V96 PolarHBondContact O-N 3.17Å; Y93-N97 HydrophobicContact CD1-CB 4.2Å; Y93-N97 HydrophobicContact CE1-CB 3.72Å; Y93-N97 VanDerWaalsContact CE1-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.38Å; Y93-N97 HydrophobicContact CE2-CB 4.4Å; Y93-N97 PolarHBondContact O-N 3.42Å; Y93-N97 PolarHBondContact OH-ND2 2.9Å; Y93-T161 HydrophobicContact CE2-CG2 3.82Å
94P89Confident81.6Confident42 Ų4251.7 Ų51.727%0.27327%0.274SS..Hα-helixtrans-56.4-27.8171.8-28.837.9000113.8W68 E90 V92 V96 S98W68-P94 HydrophobicContact CH2-CB 3.8Å; W68-P94 HydrophobicContact CZ2-CB 4.06Å; E90-P94 WeakPolarHBondContact O-CD 3.44Å; V92-P94 VanDerWaalsContact C-CD 3.41Å; V92-P94 VanDerWaalsContact C-N 3.3Å; P94-V96 PolarHBondContact O-N 3.45Å; P94-S98 WeakPolarHBondContact O-CB 3.47Å; P94-S98 PolarHBondContact O-N 2.97Å; P94-S98 PolarHBondContact O-OG 2.9Å
95C89.1Confident81.5Confident1 Ų149 Ų491%0.00726%0.26CS..Hα-helixtrans-69.5-16.8179.5-58.10000113.6W68 S69 V92 Y93 I109 L141W68-C95 HydrophobicContact CZ3-CB 4.28Å; S69-C95 PolarHBondContact OG-SG 3.33Å; S69-C95 VanDerWaalsContact OG-SG 3.42Å; V92-C95 WeakPolarHBondContact O-CB 3.39Å; V92-C95 PolarHBondContact O-N 3.5Å; Y93-C95 PolarHBondContact O-N 3.43Å; Y93-C95 VanDerWaalsContact O-N 3.12Å; C95-I109 WeakPolarHBondContact O-CD1 3.46Å; C95-L141 HydrophobicContact CB-CD1 3.98Å; C95-L141 HydrophobicContact CB-CD2 3.66Å
96V87.3Confident81.3Confident21 Ų2149.8 Ų49.813%0.12726%0.263CS..Hα-helixtrans-115.6-14.5-179.6-66.20000114.2Y93 P94 L141 F142 L145 W168Y93-V96 HydrophobicContact CD2-CG2 4.13Å; Y93-V96 HydrophobicContact CE2-CG2 4.45Å; Y93-V96 WeakPolarHBondContact O-CG2 3.29Å; Y93-V96 PolarHBondContact O-N 3.17Å; P94-V96 PolarHBondContact O-N 3.45Å; V96-L141 HydrophobicContact CG1-CD2 3.74Å; V96-L141 HydrophobicContact CG1-CG 4.2Å; V96-F142 HydrophobicContact CG1-CE1 4.13Å; V96-L145 HydrophobicContact CG1-CD1 3.67Å; V96-L145 HydrophobicContact CG2-CD1 4.21Å; V96-W168 HydrophobicContact CB-CH2 4.2Å; V96-W168 HydrophobicContact CB-CZ3 4.47Å; V96-W168 HydrophobicContact CG1-CH2 4.29Å; V96-W168 HydrophobicContact CG1-CZ3 4.15Å; V96-W168 HydrophobicContact CG2-CH2 3.92Å
97N78.8Confident81.1Confident79 Ų7946.2 Ų46.242%0.42225%0.253SS..Hα-helixtrans-132.120.9-171.8-164.645.8000114.4Y93Y93-N97 HydrophobicContact CD1-CB 4.2Å; Y93-N97 HydrophobicContact CE1-CB 3.72Å; Y93-N97 VanDerWaalsContact CE1-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.38Å; Y93-N97 HydrophobicContact CE2-CB 4.4Å; Y93-N97 PolarHBondContact O-N 3.42Å; Y93-N97 PolarHBondContact OH-ND2 2.9Å
98S63Low81Confident33 Ų3344.9 Ų44.923%0.23124%0.243CC..  trans-88.9110.3179.339.10000112.1P94 G100 T101P94-S98 WeakPolarHBondContact O-CB 3.47Å; P94-S98 PolarHBondContact O-N 2.97Å; P94-S98 PolarHBondContact O-OG 2.9Å; S98-G100 PolarHBondContact O-N 3.24Å; S98-G100 VanDerWaalsContact O-N 3.16Å; S98-T101 WeakPolarHBondContact OG-CG2 3.43Å
99Y57.1Low80.8Confident206 Ų20645.1 Ų45.181%0.80825%0.245SC*.THydrogen-bonded Turntrans-73.596.4159.7-67.3-87.1000107.8
100G57.6Low80.6Confident56 Ų5649.6 Ų49.658%0.57727%0.265SS*.THydrogen-bonded Turntrans145.67.5179.400000116S98S98-G100 PolarHBondContact O-N 3.24Å; S98-G100 VanDerWaalsContact O-N 3.16Å
101T65.2Low80.3Confident13 Ų1347.5 Ų47.58%0.0825%0.254CS..SBendtrans-82.8-164.7164.787.20000110.3I59 F65 S98 L103 D106I59-T101 HydrophobicContact CB-CG2 4.23Å; I59-T101 HydrophobicContact CG2-CG2 4.33Å; I59-T101 CarbonylContact O-C 3.09Å; I59-T101 VanDerWaalsContact O-C 3.23Å; I59-T101 VanDerWaalsContact O-CA 3.23Å; I59-T101 WeakPolarHBondContact O-CA 3.31Å; F65-T101 HydrophobicContact CD2-CG2 4.38Å; S98-T101 WeakPolarHBondContact OG-CG2 3.43Å; T101-L103 PolarHBondContact O-N 3.2Å; T101-D106 PolarHBondContact N-OD2 3.44Å; T101-D106 PolarHBondContact OG1-OD1 3.49Å; T101-D106 PolarHBondContact OG1-OD2 3.47Å
102C73.3Confident80Confident27 Ų2746.7 Ų46.718%0.18225%0.25CS..  trans-63.5117.9173.4-167.80000108.4I59 I60 T104 V105 D106I59-C102 PolarHBondContact O-N 3.04Å; I60-C102 PolarHBondContact O-SG 2.93Å; I60-C102 VanDerWaalsContact O-SG 3.37Å; C102-T104 PolarHBondContact O-N 3.46Å; C102-T104 PolarHBondContact SG-OG1 2.94Å; C102-V105 HydrophobicContact CB-CB 4.22Å; C102-V105 HydrophobicContact CB-CG2 3.93Å; C102-V105 WeakPolarHBondContact O-CA 3.49Å; C102-V105 WeakPolarHBondContact O-CB 3.11Å; C102-V105 PolarHBondContact O-N 2.95Å; C102-D106 PolarHBondContact O-N 3.31Å
103L78.4Confident79.8Confident148 Ų14847.5 Ų47.578%0.77526%0.255SS*.Hα-helixtrans-47-34.1-177.2-70.1171.7000114T101 S107T101-L103 PolarHBondContact O-N 3.2Å; L103-S107 WeakPolarHBondContact O-CB 3.37Å; L103-S107 PolarHBondContact O-N 3.01Å
104T79.3Confident79.5Confident51 Ų5147.6 Ų47.631%0.31326%0.26SS..Hα-helixtrans-70.5-36.6177.553.80000113C102 L108 L130C102-T104 PolarHBondContact O-N 3.46Å; C102-T104 PolarHBondContact SG-OG1 2.94Å; T104-L108 WeakPolarHBondContact O-CB 3.46Å; T104-L108 PolarHBondContact O-N 3.08Å; T104-L130 HydrophobicContact CG2-CD1 4.37Å; T104-L130 WeakPolarHBondContact OG1-CD1 3.4Å
105V84.1Confident78.4Confident0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-70.6-44.5173.8175.90000110.2A62 F65 C102 S107 L108 I109 I134A62-V105 HydrophobicContact CB-CG2 3.87Å; F65-V105 HydrophobicContact CB-CG1 4.37Å; F65-V105 HydrophobicContact CD1-CG1 3.77Å; F65-V105 HydrophobicContact CD2-CG1 3.8Å; F65-V105 HydrophobicContact CE1-CG1 3.95Å; F65-V105 HydrophobicContact CE2-CG1 3.97Å; F65-V105 HydrophobicContact CG-CG1 3.7Å; F65-V105 HydrophobicContact CZ-CG1 4.05Å; C102-V105 HydrophobicContact CB-CB 4.22Å; C102-V105 HydrophobicContact CB-CG2 3.93Å; C102-V105 WeakPolarHBondContact O-CA 3.49Å; C102-V105 WeakPolarHBondContact O-CB 3.11Å; C102-V105 PolarHBondContact O-N 2.95Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.13Å; V105-L108 WeakPolarHBondContact O-CB 3.38Å; V105-L108 PolarHBondContact O-N 3.49Å; V105-L108 VanDerWaalsContact O-N 3.14Å; V105-I109 HydrophobicContact CG1-CD1 3.7Å; V105-I109 HydrophobicContact CG1-CG1 4.31Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.04Å; V105-I134 HydrophobicContact CG1-CD1 4.08Å
106D83.8Confident76.8Confident22 Ų2258.6 Ų58.612%0.11831%0.306CS..Hα-helixtrans-58.8-46.4176.3-70.1-22.3000110.9T101 C102 L108 I109 Q110T101-D106 PolarHBondContact N-OD2 3.44Å; T101-D106 PolarHBondContact OG1-OD1 3.49Å; T101-D106 PolarHBondContact OG1-OD2 3.47Å; C102-D106 PolarHBondContact O-N 3.31Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 2.93Å; D106-I109 PolarHBondContact O-N 2.73Å; D106-Q110 WeakPolarHBondContact O-CB 3.32Å; D106-Q110 VanDerWaalsContact O-CG 3.27Å; D106-Q110 WeakPolarHBondContact O-CG 3.27Å; D106-Q110 PolarHBondContact O-N 3.49Å
107S84.1Confident75.1Confident41 Ų4160.4 Ų60.429%0.28732%0.319SS..Hα-helixtrans-60.1-41.9175.6-168.30000112.1L103 V105 Q110 K111L103-S107 WeakPolarHBondContact O-CB 3.37Å; L103-S107 PolarHBondContact O-N 3.01Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.13Å; S107-Q110 PolarHBondContact O-N 3.38Å; S107-K111 WeakPolarHBondContact O-CB 3.48Å; S107-K111 VanDerWaalsContact O-CG 3.31Å; S107-K111 WeakPolarHBondContact O-CG 3.21Å; S107-K111 PolarHBondContact O-N 2.91Å
108L86.5Confident73.5Confident0 Ų064.1 Ų64.10%034%0.338CS..Hα-helixtrans-65.1-44.4177.7-177.3147.3000112T104 V105 D106 K111 M112 F123 E127 F131 I134 L138T104-L108 WeakPolarHBondContact O-CB 3.46Å; T104-L108 PolarHBondContact O-N 3.08Å; V105-L108 WeakPolarHBondContact O-CB 3.38Å; V105-L108 PolarHBondContact O-N 3.49Å; V105-L108 VanDerWaalsContact O-N 3.14Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 2.93Å; L108-K111 PolarHBondContact O-N 3.3Å; L108-M112 HydrophobicContact CD2-CG 4.15Å; L108-M112 WeakPolarHBondContact O-CB 3.28Å; L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.38Å; L108-M112 PolarHBondContact O-N 3.35Å; L108-F123 HydrophobicContact CG-CE1 4.47Å; L108-E127 HydrophobicContact CD1-CB 4.47Å; L108-E127 WeakPolarHBondContact CD1-O 3.07Å; L108-F131 HydrophobicContact CD1-CB 3.74Å; L108-F131 HydrophobicContact CD1-CD2 4.34Å; L108-F131 HydrophobicContact CD2-CD2 4.38Å; L108-I134 HydrophobicContact CD2-CD1 3.76Å; L108-I134 HydrophobicContact CD2-CG1 4.4Å; L108-L138 HydrophobicContact CD2-CD1 3.73Å
109I87.4Confident72.6Confident6 Ų670.4 Ų70.43%0.03136%0.364CS..Hα-helixtrans-64.6-41.8177.8-67.5167.9000110.7F65 C95 V105 D106 M112 T113 L138F65-I109 HydrophobicContact CE1-CD1 4.21Å; F65-I109 HydrophobicContact CE2-CD1 3.76Å; F65-I109 HydrophobicContact CZ-CD1 3.43Å; F65-I109 VanDerWaalsContact CZ-CD1 3.43Å; C95-I109 WeakPolarHBondContact O-CD1 3.46Å; V105-I109 HydrophobicContact CG1-CD1 3.7Å; V105-I109 HydrophobicContact CG1-CG1 4.31Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.04Å; D106-I109 PolarHBondContact O-N 2.73Å; I109-M112 PolarHBondContact O-N 3.45Å; I109-T113 HydrophobicContact CG2-CG2 4.32Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 WeakPolarHBondContact O-CG2 3.27Å; I109-T113 PolarHBondContact O-N 3.05Å; I109-T113 PolarHBondContact O-OG1 2.9Å; I109-L138 HydrophobicContact CG1-CD2 4.15Å
110Q85.6Confident72.1Confident100 Ų10064.8 Ų64.847%0.46736%0.36SS..Hα-helixtrans-58.7-48.4173.2-73.8175.83.400110.8D106 S107 M112 T113 I114D106-Q110 WeakPolarHBondContact O-CB 3.32Å; D106-Q110 VanDerWaalsContact O-CG 3.27Å; D106-Q110 WeakPolarHBondContact O-CG 3.27Å; D106-Q110 PolarHBondContact O-N 3.49Å; S107-Q110 PolarHBondContact O-N 3.38Å; Q110-M112 VanDerWaalsContact C-N 3.29Å; Q110-M112 PolarHBondContact O-N 3.17Å; Q110-T113 PolarHBondContact O-N 3.32Å; Q110-T113 PolarHBondContact O-OG1 3.45Å; Q110-I114 WeakPolarHBondContact O-CD1 3.47Å; Q110-I114 VanDerWaalsContact O-CG1 3.3Å; Q110-I114 WeakPolarHBondContact O-CG1 3.23Å; Q110-I114 PolarHBondContact O-N 3.48Å
111K85.2Confident72Confident59 Ų5966.6 Ų66.626%0.25735%0.352SS..Hα-helixtrans-58.9-39.2176.1-74.6174.2-178.9177.20112.4S107 L108 F123 E127S107-K111 WeakPolarHBondContact O-CB 3.48Å; S107-K111 VanDerWaalsContact O-CG 3.31Å; S107-K111 WeakPolarHBondContact O-CG 3.21Å; S107-K111 PolarHBondContact O-N 2.91Å; L108-K111 PolarHBondContact O-N 3.3Å; K111-F123 HydrophobicContact CB-CE1 4.39Å; K111-F123 HydrophobicContact CD-CD1 4.47Å; K111-F123 HydrophobicContact CD-CE1 4.28Å; K111-E127 IonicContact NZ-OE1 3.28Å; K111-E127 PolarHBondContact NZ-OE1 2.9Å; K111-E127 IonicContact NZ-OE2 2.66Å; K111-E127 PolarHBondContact NZ-OE2 2.98Å
112M85.8Confident71.8Confident5 Ų572.2 Ų72.23%0.02539%0.386CS..Hα-helixtrans-73.1-25.1179.7-71.1-56.4-65.400113.9L108 I109 Q110 F123 F131 F142 K174 V175 L178L108-M112 HydrophobicContact CD2-CG 4.15Å; L108-M112 WeakPolarHBondContact O-CB 3.28Å; L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.38Å; L108-M112 PolarHBondContact O-N 3.35Å; I109-M112 PolarHBondContact O-N 3.45Å; Q110-M112 VanDerWaalsContact C-N 3.29Å; Q110-M112 PolarHBondContact O-N 3.17Å; M112-F123 HydrophobicContact SD-CZ 4.16Å; M112-F131 HydrophobicContact CE-CE2 4.25Å; M112-F131 HydrophobicContact SD-CE2 4.32Å; M112-F142 HydrophobicContact CB-CZ 4.46Å; M112-K174 HydrophobicContact CE-CB 3.83Å; M112-V175 HydrophobicContact CE-CB 4.15Å; M112-V175 HydrophobicContact CE-CG2 3.46Å; M112-V175 VanDerWaalsContact CE-CG2 3.46Å; M112-L178 HydrophobicContact CE-CD1 3.93Å; M112-L178 HydrophobicContact SD-CD1 3.57Å; M112-L178 VanDerWaalsContact SD-CD1 3.57Å
113T87.1Confident71.8Confident17 Ų1772 Ų7210%0.10438%0.382CS..Hα-helixtrans-99.3-1.9-175.7570000114.6I109 Q110 F142 H167 W168I109-T113 HydrophobicContact CG2-CG2 4.32Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 WeakPolarHBondContact O-CG2 3.27Å; I109-T113 PolarHBondContact O-N 3.05Å; I109-T113 PolarHBondContact O-OG1 2.9Å; Q110-T113 PolarHBondContact O-N 3.32Å; Q110-T113 PolarHBondContact O-OG1 3.45Å; T113-F142 HydrophobicContact CG2-CE1 4Å; T113-F142 HydrophobicContact CG2-CZ 4Å; T113-H167 PolarHBondContact O-CE1 3.27Å; T113-H167 PolarHBondContact O-NE2 2.91Å; T113-W168 HydrophobicContact CG2-CZ3 4.06Å
114I81.4Confident71.9Confident72 Ų7267.2 Ų67.237%0.36936%0.361SS..  trans-73.9135.6173.8-69.7159.8000110.1Q110 D116 K174Q110-I114 WeakPolarHBondContact O-CD1 3.47Å; Q110-I114 VanDerWaalsContact O-CG1 3.3Å; Q110-I114 WeakPolarHBondContact O-CG1 3.23Å; Q110-I114 PolarHBondContact O-N 3.48Å; I114-D116 WeakPolarHBondContact CG2-O 3.28Å; I114-K174 PolarHBondContact O-NZ 3.28Å
115R66.4Low71.9Confident140 Ų14069.6 Ų69.653%0.52838%0.38SS..SBendtrans-63.9-40.8-179.2-74.7-172.6-175-137.1-1.2111.8D164 K174R115-D164 IonicContact CZ-OD2 2.68Å; R115-D164 IonicContact NH1-OD2 3.8Å; R115-D164 IonicContact NH2-OD1 2.7Å; R115-D164 IonicContact NH2-OD2 3.37Å; R115-D164 PolarHBondContact NH2-OD2 2.66Å; R115-K174 PolarHBondContact O-NZ 3.01Å; R115-K174 VanDerWaalsContact O-NZ 3.13Å
116D56.6Low71.8Confident135 Ų13572.7 Ų72.772%0.72240%0.402SS*.SBendtrans-112.3117.5-170.8-60.1-42.7000114.7I114I114-D116 WeakPolarHBondContact CG2-O 3.28Å
117S50.1Low71.8Confident58 Ų5872.3 Ų72.341%0.40640%0.399SS..  trans152.394.6150.543.70000109.5K121S117-K121 WeakPolarHBondContact OG-CE 3.26Å
118L45.7Very low71.7Confident158 Ų15872.9 Ų72.983%0.82740%0.398SS*.  trans-75.8-5.1164.1-111.7142.8000112
119E44.5Very low71.6Confident165 Ų16577.8 Ų77.877%0.77143%0.428SS*.SBendtrans-79.5133.5171.7-68179.1170.400109.1K121E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.39Å
120A45.8Very low71.5Confident87 Ų8779.2 Ų79.272%0.71944%0.435SS*.  trans-51.487178.600000111.5V122A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 PolarHBondContact O-N 2.9Å
121K55.5Low71.7Confident94 Ų9474.4 Ų74.441%0.40941%0.413SS..  trans-57.3111.3153.8-79.2-176.9180172.50104.2S117 E119 F123S117-K121 WeakPolarHBondContact OG-CE 3.26Å; E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.39Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 WeakPolarHBondContact O-CD2 3.33Å; K121-F123 PolarHBondContact O-N 2.92Å
122V60.4Low71.7Confident131 Ų13174.1 Ų74.179%0.79441%0.414SS*.  trans-55.699.5-179.7-1800000105.9A120 S124A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 PolarHBondContact O-N 2.9Å; V122-S124 PolarHBondContact O-N 3.05Å
123F74.9Confident71.7Confident22 Ų2276 Ų7610%0.09642%0.423CS..  trans-65.5128.3166.8-72.7-88.4000104.9L108 K111 M112 K121 E127 I128 L178 R182L108-F123 HydrophobicContact CG-CE1 4.47Å; K111-F123 HydrophobicContact CB-CE1 4.39Å; K111-F123 HydrophobicContact CD-CD1 4.47Å; K111-F123 HydrophobicContact CD-CE1 4.28Å; M112-F123 HydrophobicContact SD-CZ 4.16Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 WeakPolarHBondContact O-CD2 3.33Å; K121-F123 PolarHBondContact O-N 2.92Å; F123-E127 VanDerWaalsContact CA-OE2 3.25Å; F123-E127 WeakPolarHBondContact CA-OE2 3.3Å; F123-E127 HydrophobicContact CB-CB 4.11Å; F123-E127 HydrophobicContact CD1-CB 4.02Å; F123-I128 HydrophobicContact CB-CD1 4.28Å; F123-I128 HydrophobicContact CB-CG1 3.63Å; F123-L178 HydrophobicContact CE2-CD1 4.08Å; F123-L178 HydrophobicContact CZ-CD1 4.07Å; F123-R182 VanDerWaalsContact CD2-NH1 3.35Å
124S79.8Confident71.8Confident49 Ų4975.1 Ų75.134%0.34342%0.418SS..  trans-60.8156.1172.971.10000109.3V122 S126 E127 I128V122-S124 PolarHBondContact O-N 3.05Å; S124-S126 PolarHBondContact O-N 2.92Å; S124-S126 VanDerWaalsContact O-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.4Å; S124-E127 PolarHBondContact N-OE2 3.47Å; S124-E127 WeakPolarHBondContact O-CB 3.36Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 WeakPolarHBondContact OG-CG 3.5Å; S124-E127 PolarHBondContact OG-N 3.28Å; S124-I128 WeakPolarHBondContact O-CG1 3.4Å; S124-I128 PolarHBondContact O-N 3.46Å
125S79.7Confident72.3Confident100 Ų10071.7 Ų71.770%0.69940%0.401SS*.Hα-helixtrans-53.5-34.5176.6-52.30000111.9I128 V129S125-I128 PolarHBondContact O-N 3.43Å; S125-V129 WeakPolarHBondContact O-CG2 3.32Å; S125-V129 PolarHBondContact O-N 3.32Å
126S81.3Confident73.5Confident66 Ų6665 Ų6546%0.46238%0.376SS..Hα-helixtrans-66.5-44.117463.40000112.4S124 I128 V129 L130S124-S126 PolarHBondContact O-N 2.92Å; S124-S126 VanDerWaalsContact O-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.4Å; S126-I128 VanDerWaalsContact C-N 3.28Å; S126-I128 PolarHBondContact O-N 2.78Å; S126-V129 PolarHBondContact O-N 2.99Å; S126-L130 WeakPolarHBondContact O-CD1 3.39Å; S126-L130 WeakPolarHBondContact O-CG 3.39Å; S126-L130 PolarHBondContact O-N 3.36Å
127E84.2Confident75.2Confident13 Ų1358.6 Ų58.66%0.06134%0.341CS..Hα-helixtrans-63.5-34.2176.9-72.2175.2142.200112.3L108 K111 F123 S124 L130 F131L108-E127 HydrophobicContact CD1-CB 4.47Å; L108-E127 WeakPolarHBondContact CD1-O 3.07Å; K111-E127 IonicContact NZ-OE1 3.28Å; K111-E127 PolarHBondContact NZ-OE1 2.9Å; K111-E127 IonicContact NZ-OE2 2.66Å; K111-E127 PolarHBondContact NZ-OE2 2.98Å; F123-E127 VanDerWaalsContact CA-OE2 3.25Å; F123-E127 WeakPolarHBondContact CA-OE2 3.3Å; F123-E127 HydrophobicContact CB-CB 4.11Å; F123-E127 HydrophobicContact CD1-CB 4.02Å; S124-E127 PolarHBondContact N-OE2 3.47Å; S124-E127 WeakPolarHBondContact O-CB 3.36Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 WeakPolarHBondContact OG-CG 3.5Å; S124-E127 PolarHBondContact OG-N 3.28Å; E127-L130 PolarHBondContact O-N 2.97Å; E127-F131 VanDerWaalsContact O-CB 3.25Å; E127-F131 WeakPolarHBondContact O-CB 3.35Å; E127-F131 PolarHBondContact O-N 3.15Å
128I82.4Confident77.3Confident53 Ų5355.9 Ų55.927%0.27232%0.322SS..Hα-helixtrans-65.8-45.6177-64.2172.3000110.9F123 S124 S125 S126 L130 F131 N132F123-I128 HydrophobicContact CB-CD1 4.28Å; F123-I128 HydrophobicContact CB-CG1 3.63Å; S124-I128 WeakPolarHBondContact O-CG1 3.4Å; S124-I128 PolarHBondContact O-N 3.46Å; S125-I128 PolarHBondContact O-N 3.43Å; S126-I128 VanDerWaalsContact C-N 3.28Å; S126-I128 PolarHBondContact O-N 2.78Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 PolarHBondContact O-N 2.91Å; I128-F131 WeakPolarHBondContact O-CB 3.44Å; I128-F131 PolarHBondContact O-N 3.28Å; I128-N132 PolarHBondContact O-N 2.9Å
129V84.1Confident79.7Confident104 Ų10448.3 Ų48.363%0.6328%0.283SS*.Hα-helixtrans-61.5-44.21771740000110.3S125 S126 N132 M133S125-V129 WeakPolarHBondContact O-CG2 3.32Å; S125-V129 PolarHBondContact O-N 3.32Å; S126-V129 PolarHBondContact O-N 2.99Å; V129-N132 PolarHBondContact O-N 3.03Å; V129-M133 PolarHBondContact O-N 3.16Å
130L85.9Confident82Confident35 Ų3541 Ų4118%0.18325%0.248CC..Hα-helixtrans-65.2-41.7177.5-62.7166.7000111.6A62 T104 S126 E127 I128 N132 M133 I134A62-L130 HydrophobicContact CB-CD2 3.34Å; T104-L130 HydrophobicContact CG2-CD1 4.37Å; T104-L130 WeakPolarHBondContact OG1-CD1 3.4Å; S126-L130 WeakPolarHBondContact O-CD1 3.39Å; S126-L130 WeakPolarHBondContact O-CG 3.39Å; S126-L130 PolarHBondContact O-N 3.36Å; E127-L130 PolarHBondContact O-N 2.97Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 PolarHBondContact O-N 2.91Å; L130-N132 VanDerWaalsContact C-N 3.35Å; L130-N132 PolarHBondContact O-N 3.46Å; L130-M133 WeakPolarHBondContact O-CB 3.32Å; L130-M133 PolarHBondContact O-N 3.49Å; L130-M133 VanDerWaalsContact O-N 3.16Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 2.88Å
131F89Confident84.3Confident0 Ų036.8 Ų36.80%021%0.214CC..Hα-helixtrans-55.8-49.5175.4178.6-109000111.2L108 M112 E127 I128 M133 I134 A135 V175 L178 Y179L108-F131 HydrophobicContact CD1-CB 3.74Å; L108-F131 HydrophobicContact CD1-CD2 4.34Å; L108-F131 HydrophobicContact CD2-CD2 4.38Å; M112-F131 HydrophobicContact CE-CE2 4.25Å; M112-F131 HydrophobicContact SD-CE2 4.32Å; E127-F131 VanDerWaalsContact O-CB 3.25Å; E127-F131 WeakPolarHBondContact O-CB 3.35Å; E127-F131 PolarHBondContact O-N 3.15Å; I128-F131 WeakPolarHBondContact O-CB 3.44Å; I128-F131 PolarHBondContact O-N 3.28Å; F131-M133 PolarHBondContact O-N 2.97Å; F131-I134 PolarHBondContact O-N 3.1Å; F131-I134 VanDerWaalsContact O-N 3.12Å; F131-A135 HydrophobicContact CE1-CB 4.26Å; F131-A135 HydrophobicContact CE2-CB 4.15Å; F131-A135 HydrophobicContact CZ-CB 4Å; F131-A135 VanDerWaalsContact O-CB 3.26Å; F131-A135 WeakPolarHBondContact O-CB 3.44Å; F131-A135 PolarHBondContact O-N 3.42Å; F131-V175 HydrophobicContact CE2-CG1 4.42Å; F131-V175 HydrophobicContact CZ-CG1 4.34Å; F131-L178 HydrophobicContact CE1-CB 3.95Å; F131-L178 HydrophobicContact CZ-CB 3.79Å; F131-Y179 HydrophobicContact CE1-CD2 4.24Å
132N85.9Confident86.2Confident53 Ų5332.3 Ų32.328%0.28320%0.195SC..Hα-helixtrans-60.7-33.1-179.3-73-14.2000112.1I128 V129 L130 P189I128-N132 PolarHBondContact O-N 2.9Å; V129-N132 PolarHBondContact O-N 3.03Å; L130-N132 VanDerWaalsContact C-N 3.35Å; L130-N132 PolarHBondContact O-N 3.46Å; N132-P189 WeakPolarHBondContact O-CB 3.41Å
133M85.3Confident87.8Confident43 Ų4326.4 Ų26.421%0.21216%0.159CC..Hα-helixtrans-69.6-43.6174.8-173.9177.4-164.600112.2A62 T63 L66 V129 L130 F131A62-M133 HydrophobicContact CB-SD 4.25Å; T63-M133 HydrophobicContact CG2-CE 3.96Å; L66-M133 HydrophobicContact CD2-CE 3.79Å; L66-M133 HydrophobicContact CD2-CG 3.99Å; V129-M133 PolarHBondContact O-N 3.16Å; L130-M133 WeakPolarHBondContact O-CB 3.32Å; L130-M133 PolarHBondContact O-N 3.49Å; L130-M133 VanDerWaalsContact O-N 3.16Å; F131-M133 PolarHBondContact O-N 2.97Å
134I89.6Confident88.7Confident0 Ų025.6 Ų25.60%016%0.155CC..Hα-helixtrans-102.4-2.4-170.275.4175.9000115.1A62 F65 L66 V105 L108 L130 F131 G136 V137 L138A62-I134 HydrophobicContact CB-CG2 4.36Å; F65-I134 HydrophobicContact CD1-CD1 4.35Å; F65-I134 HydrophobicContact CD1-CG2 4.31Å; F65-I134 HydrophobicContact CE1-CD1 4.21Å; L66-I134 HydrophobicContact CB-CG2 4.41Å; L66-I134 HydrophobicContact CD1-CB 4.4Å; L66-I134 HydrophobicContact CD1-CG2 4.25Å; V105-I134 HydrophobicContact CG1-CD1 4.08Å; L108-I134 HydrophobicContact CD2-CD1 3.76Å; L108-I134 HydrophobicContact CD2-CG1 4.4Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 2.88Å; F131-I134 PolarHBondContact O-N 3.1Å; F131-I134 VanDerWaalsContact O-N 3.12Å; I134-G136 VanDerWaalsContact C-N 3.25Å; I134-G136 PolarHBondContact O-N 2.99Å; I134-V137 HydrophobicContact CB-CG1 3.93Å; I134-V137 WeakPolarHBondContact O-CG1 3.33Å; I134-V137 PolarHBondContact O-N 3.16Å; I134-V137 VanDerWaalsContact O-N 3.13Å; I134-L138 HydrophobicContact CD1-CD1 4.12Å; I134-L138 HydrophobicContact CD1-CG 4.41Å; I134-L138 HydrophobicContact CG1-CD1 3.98Å; I134-L138 HydrophobicContact CG1-CG 4.22Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.05Å
135A92.2Very high89.3Confident0 Ų023.2 Ų23.20%014%0.139CC..Hα-helixtrans-58.3-35.9-176.500000113F131 L138 Q139 V175 Y179 P189F131-A135 HydrophobicContact CE1-CB 4.26Å; F131-A135 HydrophobicContact CE2-CB 4.15Å; F131-A135 HydrophobicContact CZ-CB 4Å; F131-A135 VanDerWaalsContact O-CB 3.26Å; F131-A135 WeakPolarHBondContact O-CB 3.44Å; F131-A135 PolarHBondContact O-N 3.42Å; A135-L138 PolarHBondContact O-N 3.46Å; A135-Q139 WeakPolarHBondContact O-CB 3.39Å; A135-Q139 PolarHBondContact O-N 2.85Å; A135-V175 HydrophobicContact CB-CG1 4.04Å; A135-V175 WeakPolarHBondContact O-CG1 3.26Å; A135-Y179 HydrophobicContact CB-CD2 3.71Å; A135-Y179 HydrophobicContact CB-CE2 4.4Å; A135-Y179 HydrophobicContact CB-CG 4.46Å; A135-P189 HydrophobicContact CB-CB 3.87Å; A135-P189 HydrophobicContact CB-CG 4.13Å
136G91.8Very high89.9Confident0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-63.1-43.817700000112.6I134 Q139 I140I134-G136 VanDerWaalsContact C-N 3.25Å; I134-G136 PolarHBondContact O-N 2.99Å; G136-Q139 PolarHBondContact O-N 3.41Å; G136-I140 PolarHBondContact O-N 3.23Å
137V92.3Very high90.5Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-69.2-38.2176.370.50000111.8F65 L66 F70 I134 I140 L141F65-V137 HydrophobicContact CE1-CG1 4.19Å; L66-V137 HydrophobicContact CD1-CB 4.04Å; L66-V137 HydrophobicContact CD1-CG1 3.72Å; F70-V137 HydrophobicContact CD1-CB 3.8Å; F70-V137 HydrophobicContact CD1-CG2 3.58Å; F70-V137 HydrophobicContact CD2-CB 4.33Å; F70-V137 HydrophobicContact CD2-CG2 4.46Å; F70-V137 VanDerWaalsContact CE1-CA 3.41Å; F70-V137 HydrophobicContact CE1-CB 3.45Å; F70-V137 VanDerWaalsContact CE1-CB 3.45Å; F70-V137 HydrophobicContact CE1-CG2 3.78Å; F70-V137 HydrophobicContact CE2-CB 4.05Å; F70-V137 HydrophobicContact CG-CB 4.19Å; F70-V137 HydrophobicContact CG-CG2 3.91Å; F70-V137 HydrophobicContact CZ-CB 3.56Å; F70-V137 HydrophobicContact CZ-CG2 4.29Å; I134-V137 HydrophobicContact CB-CG1 3.93Å; I134-V137 WeakPolarHBondContact O-CG1 3.33Å; I134-V137 PolarHBondContact O-N 3.16Å; I134-V137 VanDerWaalsContact O-N 3.13Å; V137-I140 PolarHBondContact O-N 3.47Å; V137-L141 WeakPolarHBondContact O-CB 3.33Å; V137-L141 PolarHBondContact O-N 3.04Å
138L93.7Very high90.8Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-63.8-41.8176.5-67.8-179.4000112.1L108 I109 I134 A135 I140 L141 F142 V175L108-L138 HydrophobicContact CD2-CD1 3.73Å; I109-L138 HydrophobicContact CG1-CD2 4.15Å; I134-L138 HydrophobicContact CD1-CD1 4.12Å; I134-L138 HydrophobicContact CD1-CG 4.41Å; I134-L138 HydrophobicContact CG1-CD1 3.98Å; I134-L138 HydrophobicContact CG1-CG 4.22Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.05Å; A135-L138 PolarHBondContact O-N 3.46Å; L138-I140 VanDerWaalsContact C-N 3.35Å; L138-I140 PolarHBondContact O-N 3.19Å; L138-L141 HydrophobicContact CD2-CD2 4.45Å; L138-L141 PolarHBondContact O-N 2.93Å; L138-F142 HydrophobicContact CB-CD2 4.43Å; L138-F142 HydrophobicContact CB-CE2 4.06Å; L138-F142 HydrophobicContact CD2-CE2 4.47Å; L138-F142 HydrophobicContact CD2-CZ 4.15Å; L138-F142 WeakPolarHBondContact O-CB 3.1Å; L138-F142 WeakPolarHBondContact O-CD2 3.2Å; L138-F142 VanDerWaalsContact O-CG 3.25Å; L138-F142 WeakPolarHBondContact O-CG 3.26Å; L138-F142 PolarHBondContact O-N 3.48Å; L138-V175 HydrophobicContact CB-CG1 4.41Å; L138-V175 HydrophobicContact CB-CG2 3.86Å
139Q94.7Very high91Very high0 Ų014.9 Ų14.90%08%0.083CC..Hα-helixtrans-57-49.3176-171.170.746.100111.1A135 G136 N143 A172 V175 L224 E227 T231A135-Q139 WeakPolarHBondContact O-CB 3.39Å; A135-Q139 PolarHBondContact O-N 2.85Å; G136-Q139 PolarHBondContact O-N 3.41Å; Q139-N143 PolarHBondContact O-N 3.4Å; Q139-N143 VanDerWaalsContact O-N 3.17Å; Q139-A172 PolarHBondContact NE2-O 3.34Å; Q139-A172 PolarHBondContact OE1-O 2.94Å; Q139-A172 VanDerWaalsContact OE1-O 3.06Å; Q139-V175 HydrophobicContact CB-CG1 4.24Å; Q139-L224 HydrophobicContact CB-CD1 4.44Å; Q139-L224 HydrophobicContact CG-CD1 4.25Å; Q139-E227 HydrophobicContact CG-CB 3.85Å; Q139-T231 PolarHBondContact NE2-OG1 3.13Å
140I93.1Very high91.1Very high10 Ų1010.7 Ų10.75%0.0516%0.058CC..Hα-helixtrans-67.2-45.5179.8-69.2171.5000111F70 T73 G136 V137 L138 F142 N143 V144 F191 E227F70-I140 HydrophobicContact CE1-CD1 4.14Å; T73-I140 HydrophobicContact CG2-CG2 4.05Å; G136-I140 PolarHBondContact O-N 3.23Å; V137-I140 PolarHBondContact O-N 3.47Å; L138-I140 VanDerWaalsContact C-N 3.35Å; L138-I140 PolarHBondContact O-N 3.19Å; I140-F142 PolarHBondContact O-N 3.24Å; I140-N143 WeakPolarHBondContact O-CB 3.44Å; I140-N143 PolarHBondContact O-N 3.11Å; I140-V144 HydrophobicContact CG2-CG2 4.23Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.47Å; I140-F191 HydrophobicContact CD1-CD1 3.58Å; I140-F191 HydrophobicContact CD1-CE1 3.57Å; I140-F191 HydrophobicContact CG1-CE1 4.08Å; I140-E227 HydrophobicContact CD1-CG 4.26Å; I140-E227 HydrophobicContact CG1-CG 3.77Å
141L94.3Very high90.9Very high0 Ų010.9 Ų10.90%06%0.06CC..Hα-helixtrans-58.6-46.9-178.5176.561.9000111.6T73 V92 C95 V96 V137 L138 V144 L145T73-L141 HydrophobicContact CG2-CB 3.93Å; T73-L141 HydrophobicContact CG2-CD1 3.77Å; T73-L141 HydrophobicContact CG2-CG 4.48Å; V92-L141 HydrophobicContact CB-CD1 3.82Å; V92-L141 HydrophobicContact CG1-CD1 4.07Å; C95-L141 HydrophobicContact CB-CD1 3.98Å; C95-L141 HydrophobicContact CB-CD2 3.66Å; V96-L141 HydrophobicContact CG1-CD2 3.74Å; V96-L141 HydrophobicContact CG1-CG 4.2Å; V137-L141 WeakPolarHBondContact O-CB 3.33Å; V137-L141 PolarHBondContact O-N 3.04Å; L138-L141 HydrophobicContact CD2-CD2 4.45Å; L138-L141 PolarHBondContact O-N 2.93Å; L141-V144 PolarHBondContact O-N 3.1Å; L141-L145 HydrophobicContact CD1-CD1 4.13Å; L141-L145 HydrophobicContact CD1-CG 4.45Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.01Å
142F94.9Very high90.4Very high0 Ų011.1 Ų11.10%06%0.062CC..Hα-helixtrans-69-34.2178.4-63.5-30.7000112.7V96 M112 T113 L138 I140 L145 A146 W168 C171 A172 V175V96-F142 HydrophobicContact CG1-CE1 4.13Å; M112-F142 HydrophobicContact CB-CZ 4.46Å; T113-F142 HydrophobicContact CG2-CE1 4Å; T113-F142 HydrophobicContact CG2-CZ 4Å; L138-F142 HydrophobicContact CB-CD2 4.43Å; L138-F142 HydrophobicContact CB-CE2 4.06Å; L138-F142 HydrophobicContact CD2-CE2 4.47Å; L138-F142 HydrophobicContact CD2-CZ 4.15Å; L138-F142 WeakPolarHBondContact O-CB 3.1Å; L138-F142 WeakPolarHBondContact O-CD2 3.2Å; L138-F142 VanDerWaalsContact O-CG 3.25Å; L138-F142 WeakPolarHBondContact O-CG 3.26Å; L138-F142 PolarHBondContact O-N 3.48Å; I140-F142 PolarHBondContact O-N 3.24Å; F142-L145 HydrophobicContact CD1-CD1 4.3Å; F142-A146 WeakPolarHBondContact O-CB 3.39Å; F142-A146 PolarHBondContact O-N 3.45Å; F142-W168 AromaticContact CD1-CE3 3.76Å; F142-W168 HydrophobicContact CD1-CE3 3.76Å; F142-W168 HydrophobicContact CD1-CZ3 4.07Å; F142-W168 HydrophobicContact CE1-CE3 4.16Å; F142-W168 HydrophobicContact CE1-CZ3 4.04Å; F142-C171 HydrophobicContact CD1-CB 4.24Å; F142-C171 HydrophobicContact CD2-CB 3.56Å; F142-C171 HydrophobicContact CE1-CB 4.35Å; F142-C171 HydrophobicContact CE2-CB 3.68Å; F142-C171 HydrophobicContact CG-CB 3.86Å; F142-C171 HydrophobicContact CZ-CB 4.09Å; F142-A172 HydrophobicContact CB-CB 3.81Å; F142-V175 HydrophobicContact CD2-CG2 3.8Å; F142-V175 HydrophobicContact CE2-CG2 3.62Å
143N94.5Very high89.9Confident7 Ų713.4 Ų13.44%0.0377%0.073CC..Hα-helixtrans-62.3-46170.4-77.3-11.6000111.8Q139 I140 A146 V147 E227 T231 L234Q139-N143 PolarHBondContact O-N 3.4Å; Q139-N143 VanDerWaalsContact O-N 3.17Å; I140-N143 WeakPolarHBondContact O-CB 3.44Å; I140-N143 PolarHBondContact O-N 3.11Å; N143-A146 WeakPolarHBondContact O-CB 3.42Å; N143-A146 PolarHBondContact O-N 2.76Å; N143-V147 WeakPolarHBondContact O-CG2 3.41Å; N143-V147 PolarHBondContact O-N 3.41Å; N143-E227 PolarHBondContact ND2-O 3.31Å; N143-E227 PolarHBondContact ND2-OE2 3.42Å; N143-T231 PolarHBondContact ND2-OG1 3.13Å; N143-T231 WeakPolarHBondContact OD1-CB 3.4Å; N143-T231 PolarHBondContact OD1-OG1 3.29Å; N143-L234 HydrophobicContact CB-CD1 4.34Å
144V93.7Very high89.3Confident4 Ų415.1 Ų15.12%0.0249%0.085CC..Hα-helixtrans-62.7-45.6178.9168.80000111T73 A76 K77 L80 V92 I140 L141 A146 V147 I148T73-V144 HydrophobicContact CG2-CB 4.44Å; T73-V144 HydrophobicContact CG2-CG2 4.27Å; A76-V144 HydrophobicContact CB-CG1 3.7Å; K77-V144 HydrophobicContact CD-CG2 4.31Å; K77-V144 HydrophobicContact CG-CG2 3.74Å; L80-V144 HydrophobicContact CD1-CG1 4.08Å; V92-V144 HydrophobicContact CG1-CG1 4.42Å; V92-V144 HydrophobicContact CG2-CG1 4.31Å; I140-V144 HydrophobicContact CG2-CG2 4.23Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.47Å; L141-V144 PolarHBondContact O-N 3.1Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 3.13Å; V144-V147 PolarHBondContact O-N 2.71Å; V144-I148 HydrophobicContact CG1-CD1 3.92Å; V144-I148 WeakPolarHBondContact O-CG1 3.48Å; V144-I148 PolarHBondContact O-N 3.47Å
145L93.2Very high88.4Confident0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-59.7-44.5174.5-73.5165.2000111.3V92 V96 L141 F142 V147 I148 H149 W168V92-L145 HydrophobicContact CG2-CD2 3.91Å; V92-L145 HydrophobicContact CG2-CG 4.41Å; V96-L145 HydrophobicContact CG1-CD1 3.67Å; V96-L145 HydrophobicContact CG2-CD1 4.21Å; L141-L145 HydrophobicContact CD1-CD1 4.13Å; L141-L145 HydrophobicContact CD1-CG 4.45Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.01Å; F142-L145 HydrophobicContact CD1-CD1 4.3Å; L145-V147 VanDerWaalsContact C-N 3.35Å; L145-V147 PolarHBondContact O-N 3.16Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-H149 PolarHBondContact O-CD2 2.99Å; L145-H149 PolarHBondContact O-N 3.49Å; L145-W168 HydrophobicContact CB-CB 4.29Å; L145-W168 HydrophobicContact CB-CD2 3.8Å; L145-W168 HydrophobicContact CB-CE3 4.36Å; L145-W168 HydrophobicContact CB-CG 3.77Å; L145-W168 HydrophobicContact CD1-CD2 4.01Å; L145-W168 HydrophobicContact CD1-CE3 3.8Å; L145-W168 HydrophobicContact CD1-CH2 3.85Å; L145-W168 HydrophobicContact CD1-CZ2 4.06Å; L145-W168 HydrophobicContact CD1-CZ3 3.74Å; L145-W168 HydrophobicContact CD2-CZ2 4.46Å; L145-W168 HydrophobicContact CG-CD2 4.48Å
146A92.9Very high87.2Confident0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-57-47.5175.300000111.9F142 N143 V144 I148 H149 V150 W168 L169F142-A146 WeakPolarHBondContact O-CB 3.39Å; F142-A146 PolarHBondContact O-N 3.45Å; N143-A146 WeakPolarHBondContact O-CB 3.42Å; N143-A146 PolarHBondContact O-N 2.76Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 3.13Å; A146-I148 PolarHBondContact O-N 3.43Å; A146-H149 PolarHBondContact O-N 2.93Å; A146-V150 WeakPolarHBondContact O-CG2 3.45Å; A146-V150 PolarHBondContact O-N 3.26Å; A146-W168 HydrophobicContact CB-CB 4.01Å; A146-L169 HydrophobicContact CB-CD1 4.33Å; A146-L169 HydrophobicContact CB-CD2 3.55Å; A146-L169 HydrophobicContact CB-CG 3.6Å
147V92Very high85.9Confident41 Ų4133.7 Ų33.725%0.24817%0.172CC..Hα-helixtrans-59.7-47.9178.2174.70000111.4L80 N143 V144 L145 H149 V150 T151 L234L80-V147 HydrophobicContact CD1-CB 4.13Å; L80-V147 HydrophobicContact CD1-CG1 3.8Å; L80-V147 HydrophobicContact CD2-CG1 4.16Å; N143-V147 WeakPolarHBondContact O-CG2 3.41Å; N143-V147 PolarHBondContact O-N 3.41Å; V144-V147 PolarHBondContact O-N 2.71Å; L145-V147 VanDerWaalsContact C-N 3.35Å; L145-V147 PolarHBondContact O-N 3.16Å; V147-H149 VanDerWaalsContact C-N 3.3Å; V147-H149 PolarHBondContact O-N 3.44Å; V147-V150 PolarHBondContact O-N 3.29Å; V147-V150 VanDerWaalsContact O-N 3.08Å; V147-T151 HydrophobicContact CG1-CG2 4.39Å; V147-T151 PolarHBondContact O-N 3.48Å; V147-T151 PolarHBondContact O-OG1 3.29Å; V147-L234 HydrophobicContact CG2-CD1 3.81Å; V147-L234 HydrophobicContact CG2-CD2 3.7Å; V147-L234 HydrophobicContact CG2-CG 4.43Å
148I90.7Very high84.3Confident0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-51.2-52.3175.5-69.8162.3000109.9L80 A88 N89 V92 V144 L145 A146 V150 T151 N152L80-I148 HydrophobicContact CD1-CG1 4.12Å; L80-I148 HydrophobicContact CD2-CG1 3.75Å; L80-I148 HydrophobicContact CG-CG1 4.23Å; A88-I148 HydrophobicContact CB-CD1 3.95Å; A88-I148 HydrophobicContact CB-CG1 3.98Å; N89-I148 HydrophobicContact CB-CD1 4.47Å; N89-I148 HydrophobicContact CB-CG2 3.96Å; V92-I148 HydrophobicContact CG2-CD1 3.75Å; V144-I148 HydrophobicContact CG1-CD1 3.92Å; V144-I148 WeakPolarHBondContact O-CG1 3.48Å; V144-I148 PolarHBondContact O-N 3.47Å; L145-I148 PolarHBondContact O-N 3.41Å; A146-I148 PolarHBondContact O-N 3.43Å; I148-V150 PolarHBondContact O-N 3.21Å; I148-T151 WeakPolarHBondContact CA-OG1 3.44Å; I148-T151 PolarHBondContact O-N 2.92Å; I148-T151 PolarHBondContact O-OG1 3.5Å; I148-N152 PolarHBondContact O-N 3.2Å; I148-N152 PolarHBondContact O-ND2 2.7Å
149H87.3Confident82.7Confident16 Ų1641.3 Ų41.37%0.07422%0.22CC..Hα-helixtrans-66.2-34.3-179.5-77.3-88.1000113L145 A146 V147 N152 I153 T161 K163 P165 W168L145-H149 PolarHBondContact O-CD2 2.99Å; L145-H149 PolarHBondContact O-N 3.49Å; A146-H149 PolarHBondContact O-N 2.93Å; V147-H149 VanDerWaalsContact C-N 3.3Å; V147-H149 PolarHBondContact O-N 3.44Å; H149-N152 PolarHBondContact O-N 3.44Å; H149-I153 WeakPolarHBondContact O-CG1 3.44Å; H149-I153 PolarHBondContact O-N 2.89Å; H149-I153 VanDerWaalsContact O-N 3.16Å; H149-T161 PolarHBondContact CE1-OG1 3.45Å; H149-K163 PolarHBondContact CE1-O 2.93Å; H149-K163 PolarHBondContact ND1-O 3.37Å; H149-P165 HydrophobicContact CB-CB 4.32Å; H149-P165 HydrophobicContact CB-CG 3.74Å; H149-W168 AromaticContact CD2-CD1 3.39Å; H149-W168 AromaticContact CD2-NE1 3.08Å; H149-W168 PolarHBondContact CD2-NE1 3.36Å; H149-W168 AromaticContact CE1-NE1 3.95Å; H149-W168 AromaticContact NE2-CD1 3.81Å; H149-W168 AromaticContact NE2-CE2 3.99Å; H149-W168 AromaticContact NE2-NE1 2.99Å; H149-W168 PolarHBondContact NE2-NE1 3.33Å
150V86.1Confident80.8Confident16 Ų1647.4 Ų47.410%0.09726%0.26CS..Hα-helixtrans-63.3-49.1173.91710000110.8A146 V147 I148 N152 I153 T154 P165 V238 L241A146-V150 WeakPolarHBondContact O-CG2 3.45Å; A146-V150 PolarHBondContact O-N 3.26Å; V147-V150 PolarHBondContact O-N 3.29Å; V147-V150 VanDerWaalsContact O-N 3.08Å; I148-V150 PolarHBondContact O-N 3.21Å; V150-N152 PolarHBondContact O-N 3.02Å; V150-I153 WeakPolarHBondContact O-CB 3.38Å; V150-I153 PolarHBondContact O-N 3.49Å; V150-I153 VanDerWaalsContact O-N 3.12Å; V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 VanDerWaalsContact O-N 3.13Å; V150-P165 HydrophobicContact CG2-CB 3.7Å; V150-P165 HydrophobicContact CG2-CG 3.87Å; V150-V238 HydrophobicContact CG2-CG2 3.52Å; V150-L241 HydrophobicContact CG1-CD1 3.81Å
151T82.3Confident79.2Confident38 Ų3848.5 Ų48.523%0.23327%0.267CS..Hα-helixtrans-62.3-30.1179.3460000112.6T85 V147 I148 T154 N155T85-T151 WeakPolarHBondContact CG2-OG1 3.22Å; V147-T151 HydrophobicContact CG1-CG2 4.39Å; V147-T151 PolarHBondContact O-N 3.48Å; V147-T151 PolarHBondContact O-OG1 3.29Å; I148-T151 WeakPolarHBondContact CA-OG1 3.44Å; I148-T151 PolarHBondContact O-N 2.92Å; I148-T151 PolarHBondContact O-OG1 3.5Å; T151-T154 WeakPolarHBondContact CA-OG1 3.45Å; T151-T154 PolarHBondContact O-OG1 3.48Å; T151-N155 VanDerWaalsContact O-CB 3.26Å; T151-N155 WeakPolarHBondContact O-CB 3.17Å; T151-N155 PolarHBondContact O-N 3.4Å; T151-N155 PolarHBondContact O-ND2 3.44Å
152N77.8Confident77.5Confident6 Ų657.7 Ų57.73%0.03231%0.31CS..Hα-helixtrans-74.3-35.4175.8-64.8-34.2000112.8T85 I148 H149 V150 T154 N155 K156 Q157 F159T85-N152 WeakPolarHBondContact CB-OD1 3.5Å; T85-N152 PolarHBondContact OG1-OD1 3.29Å; I148-N152 PolarHBondContact O-N 3.2Å; I148-N152 PolarHBondContact O-ND2 2.7Å; H149-N152 PolarHBondContact O-N 3.44Å; V150-N152 PolarHBondContact O-N 3.02Å; N152-T154 VanDerWaalsContact C-N 3.32Å; N152-N155 CarbonylContact O-C 3.56Å; N152-N155 PolarHBondContact O-N 3.34Å; N152-K156 PolarHBondContact O-N 3.09Å; N152-Q157 PolarHBondContact O-N 2.63Å; N152-F159 WeakPolarHBondContact ND2-CD2 3.37Å; N152-F159 WeakPolarHBondContact ND2-CE2 3.4Å
153I74.6Confident76.3Confident101 Ų10160.8 Ų60.852%0.51832%0.323SS..Hα-helixtrans-61.9-44173-69170.2000109.8H149 V150 N155 K156 P165H149-I153 WeakPolarHBondContact O-CG1 3.44Å; H149-I153 PolarHBondContact O-N 2.89Å; H149-I153 VanDerWaalsContact O-N 3.16Å; V150-I153 WeakPolarHBondContact O-CB 3.38Å; V150-I153 PolarHBondContact O-N 3.49Å; V150-I153 VanDerWaalsContact O-N 3.12Å; I153-N155 VanDerWaalsContact C-N 3.34Å; I153-K156 PolarHBondContact O-N 3.06Å; I153-P165 HydrophobicContact CD1-CG 3.46Å; I153-P165 VanDerWaalsContact CD1-CG 3.46Å
154T73Confident75.8Confident78 Ų7863.2 Ų63.248%0.47934%0.336SS..Hα-helixtrans-66.9-36.4177.754.70000112.1V150 T151 N152 L241V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 VanDerWaalsContact O-N 3.13Å; T151-T154 WeakPolarHBondContact CA-OG1 3.45Å; T151-T154 PolarHBondContact O-OG1 3.48Å; N152-T154 VanDerWaalsContact C-N 3.32Å; T154-L241 HydrophobicContact CG2-CD1 4.49Å
155N72.2Confident75.6Confident88 Ų8863.3 Ų63.347%0.47134%0.337SS..THydrogen-bonded Turntrans-89.94.2-178.2-65.2-8000114.3T151 N152 I153 Q157T151-N155 VanDerWaalsContact O-CB 3.26Å; T151-N155 WeakPolarHBondContact O-CB 3.17Å; T151-N155 PolarHBondContact O-N 3.4Å; T151-N155 PolarHBondContact O-ND2 3.44Å; N152-N155 CarbonylContact O-C 3.56Å; N152-N155 PolarHBondContact O-N 3.34Å; I153-N155 VanDerWaalsContact C-N 3.34Å; N155-Q157 HydrophobicContact CB-CG 4.39Å; N155-Q157 PolarHBondContact O-N 3.29Å
156K66.5Low75.5Confident199 Ų19966 Ų6687%0.86535%0.35SS*.THydrogen-bonded Turntrans5433.3-177.9-59.3179.5179.3175.90114.4N152 I153N152-K156 PolarHBondContact O-N 3.09Å; I153-K156 PolarHBondContact O-N 3.06Å
157Q64.6Low75.4Confident104 Ų10466.6 Ų66.649%0.48635%0.353SS..PPolyproline II helixtrans-99.1135.9177-67.3178.8-2.800110.3N152 N155N152-Q157 PolarHBondContact O-N 2.63Å; N155-Q157 HydrophobicContact CB-CG 4.39Å; N155-Q157 PolarHBondContact O-N 3.29Å
158S57.6Low75.5Confident121 Ų12164.7 Ų64.785%0.84634%0.341SS*.PPolyproline II helixtrans-103.5125.4179.352.10000111.5
159F60.1Low75.6Confident38 Ų3864.7 Ų64.717%0.16734%0.341CS..PPolyproline II helixtrans-91.5152.5163.6-81-82.9000110.2F86 N89 N152 T161F86-F159 HydrophobicContact CB-CZ 4.41Å; F86-F159 AromaticContact CD2-CE1 3.76Å; F86-F159 HydrophobicContact CD2-CE1 3.76Å; F86-F159 AromaticContact CD2-CZ 3.87Å; F86-F159 HydrophobicContact CD2-CZ 3.87Å; F86-F159 HydrophobicContact CE2-CE1 4.18Å; N89-F159 HydrophobicContact CB-CE1 4.05Å; N89-F159 HydrophobicContact CB-CZ 4.05Å; N89-F159 WeakPolarHBondContact ND2-CE1 3.44Å; N152-F159 WeakPolarHBondContact ND2-CD2 3.37Å; N152-F159 WeakPolarHBondContact ND2-CE2 3.4Å; F159-T161 PolarHBondContact O-N 2.66Å
160P54.5Low75.9Confident128 Ų12866 Ų6683%0.83135%0.352SS*.SBendtrans-65.9-2-179.9-17.129.7000114.7
161T59.8Low76.3Confident33 Ų3365.3 Ų65.320%0.20235%0.348CS..  trans-94.4129.3-170.757.90000111.7Y93 H149 F159 K163Y93-T161 HydrophobicContact CE2-CG2 3.82Å; H149-T161 PolarHBondContact CE1-OG1 3.45Å; F159-T161 PolarHBondContact O-N 2.66Å; T161-K163 PolarHBondContact O-N 2.84Å
162H58.6Low76.9Confident194 Ų19463.5 Ų63.590%0.89834%0.337SS*.  trans-64.46.8173.9-70.9-74000115.6
163K71.1Confident77.7Confident64 Ų6465.1 Ų65.128%0.27835%0.345SS..  trans-95.4127.7-175.3-66.2-179.3172.3-166.80109.9H149 T161 H167 W168H149-K163 PolarHBondContact CE1-O 2.93Å; H149-K163 PolarHBondContact ND1-O 3.37Å; T161-K163 PolarHBondContact O-N 2.84Å; K163-H167 WeakPolarHBondContact CD-NE2 3.35Å; K163-H167 VanDerWaalsContact CE-NE2 3.26Å; K163-H167 WeakPolarHBondContact CE-NE2 3.43Å; K163-H167 PolarHBondContact NZ-NE2 3.37Å; K163-W168 HydrophobicContact CB-CZ2 4.11Å; K163-W168 HydrophobicContact CD-CH2 3.55Å; K163-W168 HydrophobicContact CD-CZ2 3.34Å; K163-W168 HydrophobicContact CD-CZ3 4.33Å; K163-W168 HydrophobicContact CG-CZ2 4.35Å
164D83.7Confident78.5Confident59 Ų5963 Ų6332%0.31633%0.331SS..  trans-96.4169.11786148.2000110.7R115 M166 H167R115-D164 IonicContact CZ-OD2 2.68Å; R115-D164 IonicContact NH1-OD2 3.8Å; R115-D164 IonicContact NH2-OD1 2.7Å; R115-D164 IonicContact NH2-OD2 3.37Å; R115-D164 PolarHBondContact NH2-OD2 2.66Å; D164-M166 VanDerWaalsContact C-N 3.26Å; D164-M166 PolarHBondContact O-N 3.35Å; D164-M166 WeakPolarHBondContact OD1-CA 3.48Å; D164-M166 WeakPolarHBondContact OD1-CB 3.48Å; D164-M166 PolarHBondContact OD1-N 3.36Å; D164-H167 VanDerWaalsContact O-CB 3.32Å; D164-H167 WeakPolarHBondContact O-CB 3.28Å; D164-H167 PolarHBondContact O-N 3.46Å; D164-H167 PolarHBondContact OD1-N 2.9Å
165P89.3Confident79.5Confident5 Ų559.2 Ų59.23%0.03231%0.308CS..Hα-helixtrans-57.7-37.7177-23.430.5000113.8H149 V150 I153 H167 W168 L169 V238H149-P165 HydrophobicContact CB-CB 4.32Å; H149-P165 HydrophobicContact CB-CG 3.74Å; V150-P165 HydrophobicContact CG2-CB 3.7Å; V150-P165 HydrophobicContact CG2-CG 3.87Å; I153-P165 HydrophobicContact CD1-CG 3.46Å; I153-P165 VanDerWaalsContact CD1-CG 3.46Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 3.47Å; P165-W168 PolarHBondContact O-N 2.9Å; P165-L169 WeakPolarHBondContact O-CG 3.45Å; P165-L169 PolarHBondContact O-N 3.3Å; P165-V238 HydrophobicContact CB-CG1 4.38Å; P165-V238 HydrophobicContact CB-CG2 3.81Å
166M90.5Very high80.6Confident56 Ų5656.4 Ų56.428%0.27629%0.291SS..Hα-helixtrans-64.3-32.6-179.6-76.8-54.8-63.800112.1D164 L169 S170 V235 V238D164-M166 VanDerWaalsContact C-N 3.26Å; D164-M166 PolarHBondContact O-N 3.35Å; D164-M166 WeakPolarHBondContact OD1-CA 3.48Å; D164-M166 WeakPolarHBondContact OD1-CB 3.48Å; D164-M166 PolarHBondContact OD1-N 3.36Å; M166-L169 PolarHBondContact O-N 2.75Å; M166-L169 HydrophobicContact SD-CD1 4.32Å; M166-S170 VanDerWaalsContact O-CB 3.27Å; M166-S170 WeakPolarHBondContact O-CB 3.31Å; M166-S170 PolarHBondContact O-N 3.46Å; M166-V235 HydrophobicContact CE-CG1 4.27Å; M166-V238 HydrophobicContact CG-CG1 3.58Å; M166-V238 HydrophobicContact SD-CB 3.95Å; M166-V238 HydrophobicContact SD-CG1 3.55Å; M166-V238 VanDerWaalsContact SD-CG1 3.55Å
167H90.9Very high81.8Confident14 Ų1451.5 Ų51.57%0.06527%0.27CS..Hα-helixtrans-59.1-51.6174.5176.579.3000110.9T113 K163 D164 P165 S170 C171T113-H167 PolarHBondContact O-CE1 3.27Å; T113-H167 PolarHBondContact O-NE2 2.91Å; K163-H167 WeakPolarHBondContact CD-NE2 3.35Å; K163-H167 VanDerWaalsContact CE-NE2 3.26Å; K163-H167 WeakPolarHBondContact CE-NE2 3.43Å; K163-H167 PolarHBondContact NZ-NE2 3.37Å; D164-H167 VanDerWaalsContact O-CB 3.32Å; D164-H167 WeakPolarHBondContact O-CB 3.28Å; D164-H167 PolarHBondContact O-N 3.46Å; D164-H167 PolarHBondContact OD1-N 2.9Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 3.47Å; H167-S170 WeakPolarHBondContact O-CB 3.43Å; H167-S170 PolarHBondContact O-N 3.5Å; H167-C171 PolarHBondContact O-N 2.98Å; H167-C171 PolarHBondContact O-SG 3.03Å
168W93.9Very high83.1Confident1 Ų148.2 Ų48.20%0.00426%0.255CS..Hα-helixtrans-66.7-39.9179.9-62.4120.6000112V96 T113 F142 L145 A146 H149 K163 P165 S170 C171 A172V96-W168 HydrophobicContact CB-CH2 4.2Å; V96-W168 HydrophobicContact CB-CZ3 4.47Å; V96-W168 HydrophobicContact CG1-CH2 4.29Å; V96-W168 HydrophobicContact CG1-CZ3 4.15Å; V96-W168 HydrophobicContact CG2-CH2 3.92Å; T113-W168 HydrophobicContact CG2-CZ3 4.06Å; F142-W168 AromaticContact CD1-CE3 3.76Å; F142-W168 HydrophobicContact CD1-CE3 3.76Å; F142-W168 HydrophobicContact CD1-CZ3 4.07Å; F142-W168 HydrophobicContact CE1-CE3 4.16Å; F142-W168 HydrophobicContact CE1-CZ3 4.04Å; L145-W168 HydrophobicContact CB-CB 4.29Å; L145-W168 HydrophobicContact CB-CD2 3.8Å; L145-W168 HydrophobicContact CB-CE3 4.36Å; L145-W168 HydrophobicContact CB-CG 3.77Å; L145-W168 HydrophobicContact CD1-CD2 4.01Å; L145-W168 HydrophobicContact CD1-CE3 3.8Å; L145-W168 HydrophobicContact CD1-CH2 3.85Å; L145-W168 HydrophobicContact CD1-CZ2 4.06Å; L145-W168 HydrophobicContact CD1-CZ3 3.74Å; L145-W168 HydrophobicContact CD2-CZ2 4.46Å; L145-W168 HydrophobicContact CG-CD2 4.48Å; A146-W168 HydrophobicContact CB-CB 4.01Å; H149-W168 AromaticContact CD2-CD1 3.39Å; H149-W168 AromaticContact CD2-NE1 3.08Å; H149-W168 PolarHBondContact CD2-NE1 3.36Å; H149-W168 AromaticContact CE1-NE1 3.95Å; H149-W168 AromaticContact NE2-CD1 3.81Å; H149-W168 AromaticContact NE2-CE2 3.99Å; H149-W168 AromaticContact NE2-NE1 2.99Å; H149-W168 PolarHBondContact NE2-NE1 3.33Å; K163-W168 HydrophobicContact CB-CZ2 4.11Å; K163-W168 HydrophobicContact CD-CH2 3.55Å; K163-W168 HydrophobicContact CD-CZ2 3.34Å; K163-W168 HydrophobicContact CD-CZ3 4.33Å; K163-W168 HydrophobicContact CG-CZ2 4.35Å; P165-W168 PolarHBondContact O-N 2.9Å; W168-S170 VanDerWaalsContact C-N 3.34Å; W168-S170 PolarHBondContact O-N 3Å; W168-C171 WeakPolarHBondContact O-CB 3.29Å; W168-C171 PolarHBondContact O-N 2.97Å; W168-C171 VanDerWaalsContact O-N 3.14Å; W168-A172 PolarHBondContact O-N 3.36Å
169L94.3Very high84.7Confident0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-64.8-37.4175.2-66.1169.6000112.3A146 P165 M166 C171 A172 Q173 T231 L234 V235 V238A146-L169 HydrophobicContact CB-CD1 4.33Å; A146-L169 HydrophobicContact CB-CD2 3.55Å; A146-L169 HydrophobicContact CB-CG 3.6Å; P165-L169 WeakPolarHBondContact O-CG 3.45Å; P165-L169 PolarHBondContact O-N 3.3Å; M166-L169 PolarHBondContact O-N 2.75Å; M166-L169 HydrophobicContact SD-CD1 4.32Å; L169-C171 VanDerWaalsContact C-N 3.33Å; L169-C171 PolarHBondContact O-N 3.44Å; L169-A172 WeakPolarHBondContact O-CB 3.06Å; L169-A172 PolarHBondContact O-N 3.42Å; L169-Q173 WeakPolarHBondContact O-CG 3.36Å; L169-Q173 PolarHBondContact O-N 2.69Å; L169-T231 HydrophobicContact CD2-CG2 4.01Å; L169-L234 HydrophobicContact CD1-CB 4.14Å; L169-L234 HydrophobicContact CD2-CB 3.6Å; L169-L234 HydrophobicContact CD2-CD1 4.08Å; L169-V235 HydrophobicContact CB-CG2 3.67Å; L169-V235 HydrophobicContact CD1-CB 4.4Å; L169-V235 HydrophobicContact CD1-CG2 3.75Å; L169-V235 HydrophobicContact CD2-CG2 4.27Å; L169-V235 HydrophobicContact CG-CG2 4.09Å; L169-V238 HydrophobicContact CD1-CB 4.4Å; L169-V238 HydrophobicContact CD1-CG2 3.78Å
170S93.3Very high86.1Confident43 Ų4343 Ų4330%0.30122%0.221SC..Hα-helixtrans-62.4-41172.1-175.10000111.3M166 H167 W168 Q173 K174M166-S170 VanDerWaalsContact O-CB 3.27Å; M166-S170 WeakPolarHBondContact O-CB 3.31Å; M166-S170 PolarHBondContact O-N 3.46Å; H167-S170 WeakPolarHBondContact O-CB 3.43Å; H167-S170 PolarHBondContact O-N 3.5Å; W168-S170 VanDerWaalsContact C-N 3.34Å; W168-S170 PolarHBondContact O-N 3Å; S170-Q173 PolarHBondContact O-N 2.93Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.4Å; S170-K174 PolarHBondContact O-N 3.45Å
171C93.4Very high87.7Confident2 Ų243 Ų431%0.01421%0.209CC..Hα-helixtrans-61.4-44.8173.8-60.20000111.3F142 H167 W168 L169 Q173 K174 V175F142-C171 HydrophobicContact CD1-CB 4.24Å; F142-C171 HydrophobicContact CD2-CB 3.56Å; F142-C171 HydrophobicContact CE1-CB 4.35Å; F142-C171 HydrophobicContact CE2-CB 3.68Å; F142-C171 HydrophobicContact CG-CB 3.86Å; F142-C171 HydrophobicContact CZ-CB 4.09Å; H167-C171 PolarHBondContact O-N 2.98Å; H167-C171 PolarHBondContact O-SG 3.03Å; W168-C171 WeakPolarHBondContact O-CB 3.29Å; W168-C171 PolarHBondContact O-N 2.97Å; W168-C171 VanDerWaalsContact O-N 3.14Å; L169-C171 VanDerWaalsContact C-N 3.33Å; L169-C171 PolarHBondContact O-N 3.44Å; C171-Q173 PolarHBondContact O-N 3.29Å; C171-K174 WeakPolarHBondContact O-CB 3.44Å; C171-K174 PolarHBondContact O-N 3.45Å; C171-V175 WeakPolarHBondContact O-CG2 3.4Å; C171-V175 PolarHBondContact O-N 2.93Å
172A94.9Very high88.9Confident0 Ų046 Ų460%022%0.217CC..Hα-helixtrans-61.7-40.817600000112.3Q139 F142 W168 L169 V175 Y176 T231Q139-A172 PolarHBondContact NE2-O 3.34Å; Q139-A172 PolarHBondContact OE1-O 2.94Å; Q139-A172 VanDerWaalsContact OE1-O 3.06Å; F142-A172 HydrophobicContact CB-CB 3.81Å; W168-A172 PolarHBondContact O-N 3.36Å; L169-A172 WeakPolarHBondContact O-CB 3.06Å; L169-A172 PolarHBondContact O-N 3.42Å; A172-V175 PolarHBondContact O-N 3.31Å; A172-Y176 PolarHBondContact O-N 3.47Å; A172-T231 HydrophobicContact CB-CG2 3.6Å
173Q94.9Very high90.1Very high40 Ų4037.5 Ų37.519%0.18718%0.18CC..Hα-helixtrans-64.6-39.5173.7-71.6176.5-41.300112.2L169 S170 C171 Y176 K177 Y228 T231 Y251L169-Q173 WeakPolarHBondContact O-CG 3.36Å; L169-Q173 PolarHBondContact O-N 2.69Å; S170-Q173 PolarHBondContact O-N 2.93Å; C171-Q173 PolarHBondContact O-N 3.29Å; Q173-Y176 PolarHBondContact O-N 3.01Å; Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 PolarHBondContact O-N 3.29Å; Q173-Y228 HydrophobicContact CG-CE2 4.14Å; Q173-T231 HydrophobicContact CG-CG2 4.06Å; Q173-Y251 PolarHBondContact NE2-OH 3.42Å
174K92.2Very high90.8Very high55 Ų5538.6 Ų38.624%0.23919%0.193CC..Hα-helixtrans-61.7-43.6174.6-72.5173.3-174.4-174.90111.3M112 I114 R115 S170 C171 K177 L178M112-K174 HydrophobicContact CE-CB 3.83Å; I114-K174 PolarHBondContact O-NZ 3.28Å; R115-K174 PolarHBondContact O-NZ 3.01Å; R115-K174 VanDerWaalsContact O-NZ 3.13Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.4Å; S170-K174 PolarHBondContact O-N 3.45Å; C171-K174 WeakPolarHBondContact O-CB 3.44Å; C171-K174 PolarHBondContact O-N 3.45Å; K174-K177 PolarHBondContact O-N 3.15Å; K174-L178 WeakPolarHBondContact O-CB 3.43Å; K174-L178 WeakPolarHBondContact O-CG 3.29Å; K174-L178 PolarHBondContact O-N 3.27Å
175V93.3Very high90.8Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-56-55.4176.1172.90000110.2M112 F131 A135 L138 Q139 F142 C171 A172 K177 L178 Y179M112-V175 HydrophobicContact CE-CB 4.15Å; M112-V175 HydrophobicContact CE-CG2 3.46Å; M112-V175 VanDerWaalsContact CE-CG2 3.46Å; F131-V175 HydrophobicContact CE2-CG1 4.42Å; F131-V175 HydrophobicContact CZ-CG1 4.34Å; A135-V175 HydrophobicContact CB-CG1 4.04Å; A135-V175 WeakPolarHBondContact O-CG1 3.26Å; L138-V175 HydrophobicContact CB-CG1 4.41Å; L138-V175 HydrophobicContact CB-CG2 3.86Å; Q139-V175 HydrophobicContact CB-CG1 4.24Å; F142-V175 HydrophobicContact CD2-CG2 3.8Å; F142-V175 HydrophobicContact CE2-CG2 3.62Å; C171-V175 WeakPolarHBondContact O-CG2 3.4Å; C171-V175 PolarHBondContact O-N 2.93Å; A172-V175 PolarHBondContact O-N 3.31Å; V175-K177 PolarHBondContact O-N 3.35Å; V175-L178 PolarHBondContact O-N 2.8Å; V175-Y179 WeakPolarHBondContact O-CB 3.37Å; V175-Y179 PolarHBondContact O-N 3.12Å
176Y94.6Very high90.5Very high28 Ų2842.2 Ų42.211%0.1122%0.218CC..Hα-helixtrans-60.1-46-179.1177.5-91.7000112.6A172 Q173 Y179 T180 L224 E225 Y228 R258A172-Y176 PolarHBondContact O-N 3.47Å; Q173-Y176 PolarHBondContact O-N 3.01Å; Y176-Y179 PolarHBondContact O-N 3.42Å; Y176-T180 HydrophobicContact CD1-CG2 4.26Å; Y176-T180 HydrophobicContact CD2-CG2 4.15Å; Y176-T180 HydrophobicContact CE1-CG2 3.88Å; Y176-T180 HydrophobicContact CE2-CG2 3.79Å; Y176-T180 HydrophobicContact CG-CG2 4.39Å; Y176-T180 WeakPolarHBondContact O-CB 3.34Å; Y176-T180 WeakPolarHBondContact O-CG2 3.5Å; Y176-T180 PolarHBondContact O-N 2.87Å; Y176-T180 PolarHBondContact O-OG1 2.51Å; Y176-L224 HydrophobicContact CD2-CD1 4.31Å; Y176-L224 HydrophobicContact CD2-CD2 4.23Å; Y176-L224 HydrophobicContact CD2-CG 4Å; Y176-L224 HydrophobicContact CE2-CD2 4.49Å; Y176-L224 HydrophobicContact CE2-CG 4.35Å; Y176-E225 PolarHBondContact OH-OE1 3.23Å; Y176-E225 PolarHBondContact OH-OE2 2.9Å; Y176-Y228 VanDerWaalsContact CB-CD2 3.41Å; Y176-Y228 AromaticContact CD1-CD1 3.54Å; Y176-Y228 HydrophobicContact CD1-CD1 3.54Å; Y176-Y228 AromaticContact CD1-CD2 3.85Å; Y176-Y228 HydrophobicContact CD1-CD2 3.85Å; Y176-Y228 AromaticContact CD1-CE1 3.35Å; Y176-Y228 HydrophobicContact CD1-CE1 3.35Å; Y176-Y228 AromaticContact CD1-CE2 3.65Å; Y176-Y228 HydrophobicContact CD1-CE2 3.65Å; Y176-Y228 AromaticContact CD1-CG 3.79Å; Y176-Y228 HydrophobicContact CD1-CG 3.79Å; Y176-Y228 AromaticContact CD1-CZ 3.39Å; Y176-Y228 AromaticContact CD2-CD1 3.52Å; Y176-Y228 HydrophobicContact CD2-CD1 3.52Å; Y176-Y228 AromaticContact CD2-CD2 3.82Å; Y176-Y228 HydrophobicContact CD2-CD2 3.82Å; Y176-Y228 HydrophobicContact CD2-CE1 4.24Å; Y176-Y228 HydrophobicContact CD2-CE2 4.47Å; Y176-Y228 AromaticContact CD2-CG 3.28Å; Y176-Y228 HydrophobicContact CD2-CG 3.28Å; Y176-Y228 AromaticContact CE1-CD1 3.43Å; Y176-Y228 HydrophobicContact CE1-CD1 3.43Å; Y176-Y228 VanDerWaalsContact CE1-CD1 3.43Å; Y176-Y228 AromaticContact CE1-CE1 3.23Å; Y176-Y228 HydrophobicContact CE1-CE1 3.23Å; Y176-Y228 HydrophobicContact CE1-CE2 4.4Å; Y176-Y228 HydrophobicContact CE1-CG 4.13Å; Y176-Y228 AromaticContact CE1-CZ 3.76Å; Y176-Y228 AromaticContact CE2-CD1 3.38Å; Y176-Y228 HydrophobicContact CE2-CD1 3.38Å; Y176-Y228 HydrophobicContact CE2-CE1 4.12Å; Y176-Y228 AromaticContact CE2-CG 3.63Å; Y176-Y228 HydrophobicContact CE2-CG 3.63Å; Y176-Y228 AromaticContact CG-CD1 3.57Å; Y176-Y228 HydrophobicContact CG-CD1 3.57Å; Y176-Y228 AromaticContact CG-CD2 3.41Å; Y176-Y228 HydrophobicContact CG-CD2 3.41Å; Y176-Y228 VanDerWaalsContact CG-CD2 3.41Å; Y176-Y228 AromaticContact CG-CE1 3.86Å; Y176-Y228 HydrophobicContact CG-CE1 3.86Å; Y176-Y228 AromaticContact CG-CE2 3.68Å; Y176-Y228 HydrophobicContact CG-CE2 3.68Å; Y176-Y228 AromaticContact CG-CG 3.34Å; Y176-Y228 HydrophobicContact CG-CG 3.34Å; Y176-Y228 AromaticContact CG-CZ 3.89Å; Y176-Y228 AromaticContact CZ-CD1 3.32Å; Y176-Y228 AromaticContact CZ-CE1 3.63Å; Y176-R258 PolarHBondContact OH-NH1 3.49Å
177K92.6Very high90.3Very high97 Ų9742.2 Ų42.242%0.42222%0.222SC..Hα-helixtrans-61.1-48.3179.9-176.1177.6178.9179.60111.5Q173 K174 V175 Y179 T180 Q181Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 PolarHBondContact O-N 3.29Å; K174-K177 PolarHBondContact O-N 3.15Å; V175-K177 PolarHBondContact O-N 3.35Å; K177-Y179 PolarHBondContact O-N 2.95Å; K177-T180 PolarHBondContact O-N 2.98Å; K177-T180 PolarHBondContact O-OG1 3.48Å; K177-Q181 VanDerWaalsContact CE-NE2 3.31Å; K177-Q181 HydrophobicContact CG-CG 4.5Å; K177-Q181 WeakPolarHBondContact O-CB 3.49Å; K177-Q181 WeakPolarHBondContact O-CG 3.16Å; K177-Q181 PolarHBondContact O-N 3.07Å; K177-Q181 VanDerWaalsContact O-N 3.08Å
178L90.6Very high90Very high34 Ų3442.2 Ų42.218%0.17823%0.225CC..Hα-helixtrans-64.1-40.5179.3-72.9174.9000112M112 F123 F131 K174 V175 R182M112-L178 HydrophobicContact CE-CD1 3.93Å; M112-L178 HydrophobicContact SD-CD1 3.57Å; M112-L178 VanDerWaalsContact SD-CD1 3.57Å; F123-L178 HydrophobicContact CE2-CD1 4.08Å; F123-L178 HydrophobicContact CZ-CD1 4.07Å; F131-L178 HydrophobicContact CE1-CB 3.95Å; F131-L178 HydrophobicContact CZ-CB 3.79Å; K174-L178 WeakPolarHBondContact O-CB 3.43Å; K174-L178 WeakPolarHBondContact O-CG 3.29Å; K174-L178 PolarHBondContact O-N 3.27Å; V175-L178 PolarHBondContact O-N 2.8Å; L178-R182 WeakPolarHBondContact O-CB 3.47Å; L178-R182 WeakPolarHBondContact O-CG 3.41Å; L178-R182 PolarHBondContact O-N 3.29Å
179Y91.3Very high89.8Confident11 Ų1142.3 Ų42.34%0.04323%0.226CC..Hα-helixtrans-65.7-48.3179.1-170.8-85.2000111.6F131 A135 V175 Y176 K177 Q181 R182 S183 G188 P189 L224F131-Y179 HydrophobicContact CE1-CD2 4.24Å; A135-Y179 HydrophobicContact CB-CD2 3.71Å; A135-Y179 HydrophobicContact CB-CE2 4.4Å; A135-Y179 HydrophobicContact CB-CG 4.46Å; V175-Y179 WeakPolarHBondContact O-CB 3.37Å; V175-Y179 PolarHBondContact O-N 3.12Å; Y176-Y179 PolarHBondContact O-N 3.42Å; K177-Y179 PolarHBondContact O-N 2.95Å; Y179-Q181 VanDerWaalsContact C-N 3.33Å; Y179-Q181 PolarHBondContact O-N 3.47Å; Y179-R182 PolarHBondContact O-N 2.94Å; Y179-S183 WeakPolarHBondContact CE2-OG 3.29Å; Y179-S183 VanDerWaalsContact CZ-OG 3.28Å; Y179-S183 VanDerWaalsContact O-CB 3.3Å; Y179-S183 WeakPolarHBondContact O-CB 3.17Å; Y179-S183 PolarHBondContact O-N 3.44Å; Y179-S183 PolarHBondContact O-OG 3.2Å; Y179-G188 WeakPolarHBondContact OH-CA 3.37Å; Y179-G188 PolarHBondContact OH-O 3.42Å; Y179-P189 HydrophobicContact CD2-CB 4.18Å; Y179-P189 HydrophobicContact CD2-CG 4.33Å; Y179-P189 HydrophobicContact CE2-CB 3.65Å; Y179-P189 HydrophobicContact CE2-CG 4.07Å; Y179-P189 VanDerWaalsContact CZ-CD 3.43Å; Y179-P189 VanDerWaalsContact CZ-N 3.33Å; Y179-P189 VanDerWaalsContact OH-N 3.11Å; Y179-L224 HydrophobicContact CD1-CD2 3.41Å; Y179-L224 VanDerWaalsContact CD1-CD2 3.41Å; Y179-L224 HydrophobicContact CE1-CD2 3.94Å; Y179-L224 HydrophobicContact CG-CD2 4.08Å
180T90.2Very high89.3Confident40 Ų4045.6 Ų45.625%0.24524%0.241CC..Hα-helixtrans-70.1-25.5-177.452.30000114.1Y176 K177Y176-T180 HydrophobicContact CD1-CG2 4.26Å; Y176-T180 HydrophobicContact CD2-CG2 4.15Å; Y176-T180 HydrophobicContact CE1-CG2 3.88Å; Y176-T180 HydrophobicContact CE2-CG2 3.79Å; Y176-T180 HydrophobicContact CG-CG2 4.39Å; Y176-T180 WeakPolarHBondContact O-CB 3.34Å; Y176-T180 WeakPolarHBondContact O-CG2 3.5Å; Y176-T180 PolarHBondContact O-N 2.87Å; Y176-T180 PolarHBondContact O-OG1 2.51Å; K177-T180 PolarHBondContact O-N 2.98Å; K177-T180 PolarHBondContact O-OG1 3.48Å
181Q88.6Confident88.8Confident126 Ų12643.6 Ų43.659%0.58923%0.227SC*.Hα-helixtrans-75.8-26.2174-75.4177.7-23.200113.4K177 Y179K177-Q181 VanDerWaalsContact CE-NE2 3.31Å; K177-Q181 HydrophobicContact CG-CG 4.5Å; K177-Q181 WeakPolarHBondContact O-CB 3.49Å; K177-Q181 WeakPolarHBondContact O-CG 3.16Å; K177-Q181 PolarHBondContact O-N 3.07Å; K177-Q181 VanDerWaalsContact O-N 3.08Å; Y179-Q181 VanDerWaalsContact C-N 3.33Å; Y179-Q181 PolarHBondContact O-N 3.47Å
182R84.9Confident88Confident98 Ų9843.6 Ų43.637%0.3723%0.227SC..Hα-helixtrans-109.2-30.1-170.6-67.1-179.6176.7175.90.7114.3F123 L178 Y179F123-R182 VanDerWaalsContact CD2-NH1 3.35Å; L178-R182 WeakPolarHBondContact O-CB 3.47Å; L178-R182 WeakPolarHBondContact O-CG 3.41Å; L178-R182 PolarHBondContact O-N 3.29Å; Y179-R182 PolarHBondContact O-N 2.94Å
183S84.4Confident86.9Confident15 Ų1544.5 Ų44.511%0.10523%0.232CC..SBendtrans-96150.9-177.2-59.40000111Y179 S185Y179-S183 WeakPolarHBondContact CE2-OG 3.29Å; Y179-S183 VanDerWaalsContact CZ-OG 3.28Å; Y179-S183 VanDerWaalsContact O-CB 3.3Å; Y179-S183 WeakPolarHBondContact O-CB 3.17Å; Y179-S183 PolarHBondContact O-N 3.44Å; Y179-S183 PolarHBondContact O-OG 3.2Å; S183-S185 PolarHBondContact O-N 3.08Å
184P84.6Confident85.8Confident87 Ų8743.8 Ų43.857%0.56523%0.23SC*.  trans-49.9141.6172.4-25.132.2000111.8N186 T187P184-N186 PolarHBondContact O-N 3.37Å; P184-T187 HydrophobicContact CB-CG2 4.33Å; P184-T187 WeakPolarHBondContact CD-OG1 3.32Å; P184-T187 PolarHBondContact O-N 2.96Å; P184-T187 VanDerWaalsContact O-N 3.13Å; P184-T187 PolarHBondContact O-OG1 3.41Å; P184-T187 VanDerWaalsContact O-OG1 3.1Å
185S83.4Confident84.7Confident76 Ų7641.9 Ų41.953%0.53122%0.223SC..THydrogen-bonded Turntrans-56.1-24.9-176.556.10000113.7S183 L217 R221S183-S185 PolarHBondContact O-N 3.08Å; S185-L217 WeakPolarHBondContact O-CD2 3.46Å; S185-R221 VanDerWaalsContact O-CZ 3.24Å; S185-R221 PolarHBondContact O-NH1 3.36Å
186N84.4Confident83.4Confident63 Ų6342.3 Ų42.334%0.33723%0.225SC..THydrogen-bonded Turntrans-98.4-7.3-171.7-59.41.2000113P184 Q215 S218P184-N186 PolarHBondContact O-N 3.37Å; N186-Q215 PolarHBondContact ND2-O 3.33Å; N186-Q215 PolarHBondContact OD1-O 2.95Å; N186-Q215 VanDerWaalsContact OD1-O 3.11Å; N186-S218 WeakPolarHBondContact O-CB 3.33Å; N186-S218 PolarHBondContact O-N 3.07Å; N186-S218 PolarHBondContact O-OG 3.06Å
187T85.6Confident81.8Confident57 Ų5742 Ų4235%0.3523%0.225SC..  trans-108.6155.1-178.556.10000111.7P184 R221P184-T187 HydrophobicContact CB-CG2 4.33Å; P184-T187 WeakPolarHBondContact CD-OG1 3.32Å; P184-T187 PolarHBondContact O-N 2.96Å; P184-T187 VanDerWaalsContact O-N 3.13Å; P184-T187 PolarHBondContact O-OG1 3.41Å; P184-T187 VanDerWaalsContact O-OG1 3.1Å; T187-R221 WeakPolarHBondContact O-CD 3.23Å
188G85.2Confident80Confident14 Ų1441.2 Ų41.214%0.14423%0.232CC..  trans-135.4163.9177.800000111.8Y179 S218 C220Y179-G188 WeakPolarHBondContact OH-CA 3.37Å; Y179-G188 PolarHBondContact OH-O 3.42Å; G188-S218 PolarHBondContact N-OG 3.35Å; G188-C220 WeakPolarHBondContact O-CB 3.42Å
189P89.2Confident77.9Confident2 Ų244.6 Ų44.61%0.01325%0.247CC..  trans-72.3167.1-179.132.2-34.9000111N132 A135 Y179 F191 C220 L224N132-P189 WeakPolarHBondContact O-CB 3.41Å; A135-P189 HydrophobicContact CB-CB 3.87Å; A135-P189 HydrophobicContact CB-CG 4.13Å; Y179-P189 HydrophobicContact CD2-CB 4.18Å; Y179-P189 HydrophobicContact CD2-CG 4.33Å; Y179-P189 HydrophobicContact CE2-CB 3.65Å; Y179-P189 HydrophobicContact CE2-CG 4.07Å; Y179-P189 VanDerWaalsContact CZ-CD 3.43Å; Y179-P189 VanDerWaalsContact CZ-N 3.33Å; Y179-P189 VanDerWaalsContact OH-N 3.11Å; P189-F191 HydrophobicContact CG-CE2 3.92Å; P189-F191 HydrophobicContact CG-CZ 4.49Å; P189-F191 VanDerWaalsContact O-CD2 3.24Å; P189-F191 WeakPolarHBondContact O-CD2 3.46Å; P189-C220 WeakPolarHBondContact O-CB 3.41Å; P189-L224 HydrophobicContact CG-CD1 4.2Å; P189-L224 HydrophobicContact CG-CD2 4.44Å
190E84.4Confident75.3Confident70 Ų7045.8 Ų45.833%0.32726%0.257SS..  trans-63.8139.7176.6-63.6-178.1162.700111.2L66 F70 L195L66-E190 HydrophobicContact CD2-CB 4.22Å; L66-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F70-E190 WeakPolarHBondContact CZ-O 3.29Å; E190-L195 HydrophobicContact CB-CD1 4.29Å; E190-L195 HydrophobicContact CB-CD2 4.14Å; E190-L195 HydrophobicContact CB-CG 4.22Å; E190-L195 HydrophobicContact CG-CD2 4.19Å
191F83.1Confident72.5Confident0 Ų051.7 Ų51.70%029%0.287CS..  trans-121.8151.8170.6-78.7-91.5000110F70 I140 P189 D193 T194 L195 C220 M223 L224 E227F70-F191 VanDerWaalsContact CZ-CA 3.49Å; I140-F191 HydrophobicContact CD1-CD1 3.58Å; I140-F191 HydrophobicContact CD1-CE1 3.57Å; I140-F191 HydrophobicContact CG1-CE1 4.08Å; P189-F191 HydrophobicContact CG-CE2 3.92Å; P189-F191 HydrophobicContact CG-CZ 4.49Å; P189-F191 VanDerWaalsContact O-CD2 3.24Å; P189-F191 WeakPolarHBondContact O-CD2 3.46Å; F191-D193 PolarHBondContact O-N 3.33Å; F191-T194 HydrophobicContact CB-CG2 4.5Å; F191-T194 PolarHBondContact N-OG1 3.39Å; F191-T194 WeakPolarHBondContact O-CA 3.38Å; F191-T194 PolarHBondContact O-N 3.41Å; F191-T194 PolarHBondContact O-OG1 2.91Å; F191-L195 WeakPolarHBondContact O-CG 3.45Å; F191-L195 PolarHBondContact O-N 3.45Å; F191-C220 WeakPolarHBondContact CE2-O 3.49Å; F191-M223 HydrophobicContact CB-CE 3.46Å; F191-M223 VanDerWaalsContact CB-CE 3.46Å; F191-M223 HydrophobicContact CB-SD 3.6Å; F191-M223 VanDerWaalsContact CB-SD 3.6Å; F191-M223 HydrophobicContact CD1-CB 4.09Å; F191-M223 HydrophobicContact CD1-CE 3.76Å; F191-M223 HydrophobicContact CD1-SD 4.47Å; F191-M223 HydrophobicContact CD2-CB 3.54Å; F191-M223 HydrophobicContact CD2-CE 4.47Å; F191-M223 HydrophobicContact CD2-CG 4.44Å; F191-M223 HydrophobicContact CD2-SD 4.14Å; F191-M223 HydrophobicContact CE1-CB 4.12Å; F191-M223 HydrophobicContact CE2-CB 3.57Å; F191-M223 HydrophobicContact CG-CB 3.82Å; F191-M223 HydrophobicContact CG-CE 3.64Å; F191-M223 HydrophobicContact CG-CG 4.46Å; F191-M223 HydrophobicContact CG-SD 3.82Å; F191-M223 HydrophobicContact CZ-CB 3.88Å; F191-L224 HydrophobicContact CE2-CB 4.11Å; F191-L224 HydrophobicContact CZ-CB 4.19Å; F191-E227 HydrophobicContact CE1-CG 4.07Å
192L76.5Confident69.9Low3 Ų351.9 Ų51.92%0.01628%0.282CS..Hα-helixtrans-51.8-47.8178-173.761.9000111.3W8 Y45 F70 K74 T194 L195 L196W8-L192 HydrophobicContact CH2-CD1 4.43Å; Y45-L192 HydrophobicContact CE1-CD2 4.4Å; F70-L192 HydrophobicContact CB-CB 3.88Å; F70-L192 HydrophobicContact CB-CD1 3.87Å; F70-L192 HydrophobicContact CB-CD2 4.12Å; F70-L192 HydrophobicContact CB-CG 4.15Å; F70-L192 HydrophobicContact CD1-CB 3.92Å; F70-L192 HydrophobicContact CD2-CB 3.96Å; F70-L192 HydrophobicContact CD2-CD1 4.37Å; F70-L192 HydrophobicContact CE1-CB 4.47Å; F70-L192 HydrophobicContact CE2-CB 4.48Å; F70-L192 HydrophobicContact CG-CB 3.68Å; F70-L192 HydrophobicContact CG-CD1 4.35Å; F70-L192 HydrophobicContact CG-CG 4.46Å; K74-L192 HydrophobicContact CD-CD2 4.47Å; K74-L192 HydrophobicContact CG-CD2 3.78Å; L192-T194 PolarHBondContact O-N 3.08Å; L192-L195 PolarHBondContact O-N 2.81Å; L192-L195 VanDerWaalsContact O-N 3.08Å; L192-L196 HydrophobicContact CD1-CD1 4.39Å; L192-L196 HydrophobicContact CD1-CD2 4.23Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CD2-CD1 4.39Å; L192-L196 HydrophobicContact CG-CD1 3.92Å; L192-L196 HydrophobicContact CG-CG 4.04Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.5Å
193D71.1Confident67.7Low19 Ų1955 Ų5510%0.10230%0.304CS..Hα-helixtrans-59-33.1-179.9-49.2-95.8000111.5K74 F191 N197 M223 Y303K74-D193 IonicContact NZ-OD1 3.68Å; K74-D193 PolarHBondContact NZ-OD1 2.91Å; K74-D193 IonicContact NZ-OD2 3.97Å; F191-D193 PolarHBondContact O-N 3.33Å; D193-N197 PolarHBondContact O-ND2 3Å; D193-M223 HydrophobicContact CB-CE 3.76Å; D193-M223 HydrophobicContact CB-SD 4.31Å; D193-M223 WeakPolarHBondContact OD2-CE 3.35Å; D193-Y303 HydrophobicContact CB-CD1 3.81Å; D193-Y303 HydrophobicContact CB-CE1 3.87Å
194T71.8Confident65.5Low24 Ų2461 Ų6115%0.14733%0.331CS..Hα-helixtrans-77.2-40.2174.857.40000112.8F191 L192 L196 N197 S198 M219 M223 Y303F191-T194 HydrophobicContact CB-CG2 4.5Å; F191-T194 PolarHBondContact N-OG1 3.39Å; F191-T194 WeakPolarHBondContact O-CA 3.38Å; F191-T194 PolarHBondContact O-N 3.41Å; F191-T194 PolarHBondContact O-OG1 2.91Å; L192-T194 PolarHBondContact O-N 3.08Å; T194-L196 PolarHBondContact O-N 3Å; T194-N197 PolarHBondContact O-N 3.43Å; T194-N197 VanDerWaalsContact O-N 3.15Å; T194-S198 PolarHBondContact O-N 3Å; T194-M219 HydrophobicContact CG2-CG 4.34Å; T194-M223 HydrophobicContact CG2-SD 3.86Å; T194-Y303 HydrophobicContact CG2-CE1 3.96Å
195L69.7Low63.3Low16 Ų1662.4 Ų62.48%0.08433%0.33CS..Hα-helixtrans-65.3-40.9-179.8-69.3171.6000112.4L66 Y67 F70 E190 F191 L192 N197 S198L66-L195 HydrophobicContact CD2-CD1 3.62Å; L66-L195 HydrophobicContact CG-CD1 4.01Å; Y67-L195 HydrophobicContact CD1-CD1 4.12Å; Y67-L195 HydrophobicContact CE1-CB 3.74Å; Y67-L195 HydrophobicContact CE1-CD1 3.68Å; Y67-L195 HydrophobicContact CE1-CG 4.19Å; F70-L195 HydrophobicContact CD2-CD1 4.1Å; F70-L195 HydrophobicContact CE2-CD1 3.87Å; E190-L195 HydrophobicContact CB-CD1 4.29Å; E190-L195 HydrophobicContact CB-CD2 4.14Å; E190-L195 HydrophobicContact CB-CG 4.22Å; E190-L195 HydrophobicContact CG-CD2 4.19Å; F191-L195 WeakPolarHBondContact O-CG 3.45Å; F191-L195 PolarHBondContact O-N 3.45Å; L192-L195 PolarHBondContact O-N 2.81Å; L192-L195 VanDerWaalsContact O-N 3.08Å; L195-N197 PolarHBondContact O-N 3.35Å; L195-S198 WeakPolarHBondContact O-CB 3.26Å; L195-S198 PolarHBondContact O-N 3.42Å; L195-S198 PolarHBondContact O-OG 3.24Å
196L65.6Low61.2Low8 Ų865.3 Ų65.34%0.04233%0.333CS..Hα-helixtrans-55.3-41.8174.7-70.3-178.5000109.8W8 I15 R19 L192 T194 S198W8-L196 HydrophobicContact CE3-CD2 3.67Å; W8-L196 HydrophobicContact CH2-CD2 3.67Å; W8-L196 HydrophobicContact CZ3-CD2 3.07Å; I15-L196 HydrophobicContact CG2-CD2 3.77Å; R19-L196 HydrophobicContact CG-CD1 4.31Å; R19-L196 VanDerWaalsContact CZ-C 3.44Å; R19-L196 PolarHBondContact NH1-O 3.27Å; R19-L196 VanDerWaalsContact NH2-C 3.27Å; R19-L196 PolarHBondContact NH2-O 2.87Å; L192-L196 HydrophobicContact CD1-CD1 4.39Å; L192-L196 HydrophobicContact CD1-CD2 4.23Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CD2-CD1 4.39Å; L192-L196 HydrophobicContact CG-CD1 3.92Å; L192-L196 HydrophobicContact CG-CG 4.04Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.5Å; T194-L196 PolarHBondContact O-N 3Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.28Å
197N61.1Low59Low22 Ų2268.9 Ų68.912%0.11835%0.348CS..THydrogen-bonded Turntrans-90.99.6-170.6-62-60.8000115.7R19 D193 T194 L195 E199 P301R19-N197 PolarHBondContact NH1-OD1 3.27Å; D193-N197 PolarHBondContact O-ND2 3Å; T194-N197 PolarHBondContact O-N 3.43Å; T194-N197 VanDerWaalsContact O-N 3.15Å; L195-N197 PolarHBondContact O-N 3.35Å; N197-E199 PolarHBondContact O-N 2.96Å; N197-E199 VanDerWaalsContact O-N 3.07Å; N197-P301 HydrophobicContact CB-CB 4.19Å; N197-P301 HydrophobicContact CB-CG 3.64Å; N197-P301 WeakPolarHBondContact ND2-CB 3.38Å; N197-P301 VanDerWaalsContact ND2-CG 3.29Å; N197-P301 WeakPolarHBondContact ND2-CG 3.48Å
198S54.8Low56.3Low81 Ų8174.8 Ų74.857%0.56637%0.371SS*.THydrogen-bonded Turntrans-66.9-2-176.759.90000116.4T194 L195 L196 S200T194-S198 PolarHBondContact O-N 3Å; L195-S198 WeakPolarHBondContact O-CB 3.26Å; L195-S198 PolarHBondContact O-N 3.42Å; L195-S198 PolarHBondContact O-OG 3.24Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.28Å; S198-S200 PolarHBondContact O-N 2.95Å
199E46.5Very low53.9Low104 Ų10478.3 Ų78.349%0.48639%0.394SS..THydrogen-bonded Turntrans-67.76.5173.5-75.9-169.2167.100114R12 N197R12-E199 IonicContact CZ-OE1 2.81Å; R12-E199 IonicContact CZ-OE2 2.84Å; R12-E199 VanDerWaalsContact CZ-OE2 3.24Å; R12-E199 IonicContact NE-OE1 2.83Å; R12-E199 PolarHBondContact NE-OE1 3.46Å; R12-E199 IonicContact NE-OE2 3.6Å; R12-E199 PolarHBondContact NE-OE2 3.34Å; R12-E199 VanDerWaalsContact NE-OE2 3.14Å; R12-E199 IonicContact NH2-OE1 2.77Å; R12-E199 IonicContact NH2-OE2 3.37Å; R12-E199 PolarHBondContact NH2-OE2 3.47Å; N197-E199 PolarHBondContact O-N 2.96Å; N197-E199 VanDerWaalsContact O-N 3.07Å
200S36.4Very low50.9Low37 Ų3782.5 Ų82.526%0.25944%0.437SS..SBendtrans-135.7124.8178.357.80000111.8S198 W202S198-S200 PolarHBondContact O-N 2.95Å; S200-W202 PolarHBondContact O-N 3.43Å
201N30.8Very low48.3Very low163 Ų16381.8 Ų81.887%0.87245%0.449SS*.  trans-66.351.7179.5-79.8-20.1000113.4
202W35.2Very low45.7Very low131 Ų13189.6 Ų89.650%0.49649%0.49SS..  trans-105.129.6-171.4-75.4128.3000115.7S200 H204 E205S200-W202 PolarHBondContact O-N 3.43Å; W202-H204 PolarHBondContact O-N 3.22Å; W202-E205 HydrophobicContact CE3-CB 3.52Å; W202-E205 HydrophobicContact CE3-CG 3.75Å; W202-E205 HydrophobicContact CH2-CG 4.09Å; W202-E205 WeakPolarHBondContact CH2-OE1 3.46Å; W202-E205 WeakPolarHBondContact CH2-OE2 3.28Å; W202-E205 HydrophobicContact CZ3-CB 3.67Å; W202-E205 HydrophobicContact CZ3-CG 3.3Å; W202-E205 WeakPolarHBondContact CZ3-OE1 3.38Å; W202-E205 WeakPolarHBondContact CZ3-OE2 3.45Å
203I38.3Very low44.2Very low162 Ų16292.7 Ų92.783%0.83151%0.506SS*.SBendtrans-71.4-11.5173.4-65.8176.8000112.2
204H38.2Very low43.2Very low142 Ų142102 Ų10266%0.65755%0.546SS*.SBendtrans-108.7-9.9-173.9-76.8-70.9000117.7W202W202-H204 PolarHBondContact O-N 3.22Å
205E39Very low42.5Very low116 Ų116105.6 Ų105.654%0.54256%0.561SS.*G310 helixtrans-91.3-4.4-171.8-112.7-174.4-163.300116.8W202 Q207W202-E205 HydrophobicContact CE3-CB 3.52Å; W202-E205 HydrophobicContact CE3-CG 3.75Å; W202-E205 HydrophobicContact CH2-CG 4.09Å; W202-E205 WeakPolarHBondContact CH2-OE1 3.46Å; W202-E205 WeakPolarHBondContact CH2-OE2 3.28Å; W202-E205 HydrophobicContact CZ3-CB 3.67Å; W202-E205 HydrophobicContact CZ3-CG 3.3Å; W202-E205 WeakPolarHBondContact CZ3-OE1 3.38Å; W202-E205 WeakPolarHBondContact CZ3-OE2 3.45Å; E205-Q207 PolarHBondContact O-N 3.33Å
206F39.3Very low42.5Very low138 Ų138110.2 Ų110.261%0.60559%0.585SS**G310 helixtrans-76.51.9170.8-102.4-84.8000113.5
207Q36.8Very low43.2Very low138 Ų138111.4 Ų111.465%0.64559%0.592SS**G310 helixtrans-89.9-10178.4-74.4-178-68.500114.3E205E205-Q207 PolarHBondContact O-N 3.33Å
208E30.1Very low44.2Very low181 Ų181112.4 Ų112.485%0.84660%0.6SS**SBendtrans-132.871.3-174.5-69.6-172.7170.100113.1
209S33.6Very low45.4Very low88 Ų88110.4 Ų110.462%0.61558%0.583SS**SBendtrans-155.7112.3150.161.60000108.3
210G27.4Very low47.3Very low89 Ų89106.6 Ų106.692%0.91857%0.567SS**  trans-55150.3-168.600000115.2
211G29.2Very low49.8Very low56 Ų56105.9 Ų105.958%0.57756%0.559SS**SBendtrans108.390.2169.300000114.7
212L29.4Very low52.5Low164 Ų16498.7 Ų98.786%0.85952%0.52SS*.  trans60.194.1148.6-68.3149.9000118.9
213N44.2Very low55Low67 Ų6793.2 Ų93.236%0.35850%0.501SS..  -151.7120.6127.5-109.1-7.4000107.1Q215 S265N213-Q215 PolarHBondContact O-N 3.47Å; N213-S265 PolarHBondContact ND2-OG 3.16Å; N213-S265 VanDerWaalsContact ND2-OG 3.09Å
214K50.2Low57.5Low216 Ų21685.5 Ų85.594%0.93946%0.461SS*.THydrogen-bonded Turntrans-61.4-9.2-176.9-90.9-178176.8177.60114.7
215Q57.8Low60.1Low98 Ų9879 Ų7946%0.45843%0.431SS..THydrogen-bonded Turntrans-111.9-5.3-168.2-67.2-177.1-2.500116.1N186 N213 L217N186-Q215 PolarHBondContact ND2-O 3.33Å; N186-Q215 PolarHBondContact OD1-O 2.95Å; N186-Q215 VanDerWaalsContact OD1-O 3.11Å; N213-Q215 PolarHBondContact O-N 3.47Å; Q215-L217 HydrophobicContact CB-CD1 4.23Å; Q215-L217 HydrophobicContact CB-CD2 4.39Å; Q215-L217 HydrophobicContact CB-CG 3.95Å; Q215-L217 PolarHBondContact O-N 2.73Å
216N68.6Low62.6Low113 Ų11374.3 Ų74.360%0.60441%0.409SS*.  trans34.648176.3-75.1-10.4000114.6
217L80.5Confident65.1Low33 Ų3368.4 Ų68.417%0.17338%0.383CS..  trans-72.6131.9-174.7-63.2160.5000109.6S185 Q215 R221 L222 F262S185-L217 WeakPolarHBondContact O-CD2 3.46Å; Q215-L217 HydrophobicContact CB-CD1 4.23Å; Q215-L217 HydrophobicContact CB-CD2 4.39Å; Q215-L217 HydrophobicContact CB-CG 3.95Å; Q215-L217 PolarHBondContact O-N 2.73Å; L217-R221 HydrophobicContact CB-CB 4.4Å; L217-R221 HydrophobicContact CB-CG 4.29Å; L217-R221 HydrophobicContact CD2-CB 4.46Å; L217-R221 HydrophobicContact CD2-CG 3.52Å; L217-R221 HydrophobicContact CG-CG 4.45Å; L217-L222 HydrophobicContact CB-CD2 4.03Å; L217-L222 HydrophobicContact CB-CG 4.22Å; L217-L222 HydrophobicContact CD1-CD2 3.83Å; L217-F262 HydrophobicContact CD1-CD1 4.39Å; L217-F262 HydrophobicContact CD1-CE1 4.25Å
218S82.5Confident67.9Low43 Ų4363.5 Ų63.530%0.30136%0.359SS..  trans-67.2158.3173.279.40000111.5N186 G188 C220 R221 L222N186-S218 WeakPolarHBondContact O-CB 3.33Å; N186-S218 PolarHBondContact O-N 3.07Å; N186-S218 PolarHBondContact O-OG 3.06Å; G188-S218 PolarHBondContact N-OG 3.35Å; S218-C220 VanDerWaalsContact C-N 3.29Å; S218-C220 PolarHBondContact O-N 3.44Å; S218-R221 WeakPolarHBondContact O-CA 3.47Å; S218-R221 WeakPolarHBondContact O-CB 3.41Å; S218-R221 PolarHBondContact O-N 3.36Å; S218-R221 PolarHBondContact OG-N 3.44Å; S218-L222 PolarHBondContact O-N 2.87Å
219M80.5Confident71Confident39 Ų3955.5 Ų55.519%0.19232%0.323CS..Hα-helixtrans-56.7-44.1176.7-175.76475.600111.7T194 R221 L222 M223 A269 Y303 F305T194-M219 HydrophobicContact CG2-CG 4.34Å; M219-R221 PolarHBondContact O-N 3.25Å; M219-L222 PolarHBondContact O-N 3.12Å; M219-L222 VanDerWaalsContact O-N 3.14Å; M219-M223 WeakPolarHBondContact O-CG 3.47Å; M219-M223 PolarHBondContact O-N 3.07Å; M219-A269 HydrophobicContact CE-CB 3.86Å; M219-A269 HydrophobicContact SD-CB 4.29Å; M219-Y303 HydrophobicContact CE-CD2 3.26Å; M219-Y303 HydrophobicContact CE-CE2 3.32Å; M219-Y303 HydrophobicContact CE-CG 4.06Å; M219-Y303 HydrophobicContact CG-CD1 4.11Å; M219-Y303 HydrophobicContact CG-CD2 4.11Å; M219-Y303 HydrophobicContact CG-CE1 3.79Å; M219-Y303 HydrophobicContact CG-CE2 3.79Å; M219-Y303 HydrophobicContact CG-CG 4.26Å; M219-Y303 HydrophobicContact SD-CD1 4.2Å; M219-Y303 HydrophobicContact SD-CD2 3.64Å; M219-Y303 HydrophobicContact SD-CE1 4.42Å; M219-Y303 HydrophobicContact SD-CE2 3.89Å; M219-Y303 HydrophobicContact SD-CG 3.79Å; M219-F305 HydrophobicContact SD-CE2 3.8Å; M219-F305 HydrophobicContact SD-CZ 3.82Å
220C85.3Confident73.9Confident25 Ų2554.4 Ų54.417%0.16931%0.307CS..Hα-helixtrans-56.3-38.5173.6-67.10000112.4G188 P189 F191 S218 M223 L224G188-C220 WeakPolarHBondContact O-CB 3.42Å; P189-C220 WeakPolarHBondContact O-CB 3.41Å; F191-C220 WeakPolarHBondContact CE2-O 3.49Å; S218-C220 VanDerWaalsContact C-N 3.29Å; S218-C220 PolarHBondContact O-N 3.44Å; C220-M223 PolarHBondContact O-N 2.91Å; C220-L224 PolarHBondContact O-N 3.43Å
221R88.7Confident77.2Confident21 Ų2150.1 Ų50.18%0.07926%0.263CS..Hα-helixtrans-67.5-43.9177.4-177.750.7-180-115.14.8110.9S185 T187 L217 S218 M219 M223 L224 E225S185-R221 VanDerWaalsContact O-CZ 3.24Å; S185-R221 PolarHBondContact O-NH1 3.36Å; T187-R221 WeakPolarHBondContact O-CD 3.23Å; L217-R221 HydrophobicContact CB-CB 4.4Å; L217-R221 HydrophobicContact CB-CG 4.29Å; L217-R221 HydrophobicContact CD2-CB 4.46Å; L217-R221 HydrophobicContact CD2-CG 3.52Å; L217-R221 HydrophobicContact CG-CG 4.45Å; S218-R221 WeakPolarHBondContact O-CA 3.47Å; S218-R221 WeakPolarHBondContact O-CB 3.41Å; S218-R221 PolarHBondContact O-N 3.36Å; S218-R221 PolarHBondContact OG-N 3.44Å; M219-R221 PolarHBondContact O-N 3.25Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.47Å; R221-L224 WeakPolarHBondContact O-CB 3.3Å; R221-L224 PolarHBondContact O-N 3.45Å; R221-E225 IonicContact CZ-OE1 3.67Å; R221-E225 VanDerWaalsContact CZ-OE1 3.23Å; R221-E225 IonicContact NE-OE1 3.14Å; R221-E225 PolarHBondContact NE-OE1 3.34Å; R221-E225 IonicContact NH2-OE1 3.24Å; R221-E225 PolarHBondContact NH2-OE1 3.27Å; R221-E225 WeakPolarHBondContact O-CG 3.34Å; R221-E225 PolarHBondContact O-N 2.81Å
222L87.6Confident80.4Confident12 Ų1247.5 Ų47.56%0.06324%0.236CC..Hα-helixtrans-60.1-41.9175.3-67178.1000111.9L217 S218 M219 L224 E225 H226 F266 A269 F305L217-L222 HydrophobicContact CB-CD2 4.03Å; L217-L222 HydrophobicContact CB-CG 4.22Å; L217-L222 HydrophobicContact CD1-CD2 3.83Å; S218-L222 PolarHBondContact O-N 2.87Å; M219-L222 PolarHBondContact O-N 3.12Å; M219-L222 VanDerWaalsContact O-N 3.14Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 2.79Å; L222-E225 PolarHBondContact O-N 2.63Å; L222-H226 WeakPolarHBondContact O-CB 3.25Å; L222-H226 PolarHBondContact O-N 2.65Å; L222-F266 HydrophobicContact CB-CD1 4.33Å; L222-F266 HydrophobicContact CB-CE1 3.9Å; L222-F266 HydrophobicContact CD2-CE1 4.42Å; L222-F266 VanDerWaalsContact O-CE1 3.32Å; L222-F266 WeakPolarHBondContact O-CE1 3.2Å; L222-A269 HydrophobicContact CD1-CB 4.15Å; L222-F305 HydrophobicContact CB-CZ 4.29Å
223M87.3Confident83.5Confident17 Ų1744.2 Ų44.28%0.08422%0.215CC..Hα-helixtrans-61.8-39.9174.9-68.2-175.477.300112.7F191 D193 T194 M219 C220 R221 H226 E227 Y303 F305F191-M223 HydrophobicContact CB-CE 3.46Å; F191-M223 VanDerWaalsContact CB-CE 3.46Å; F191-M223 HydrophobicContact CB-SD 3.6Å; F191-M223 VanDerWaalsContact CB-SD 3.6Å; F191-M223 HydrophobicContact CD1-CB 4.09Å; F191-M223 HydrophobicContact CD1-CE 3.76Å; F191-M223 HydrophobicContact CD1-SD 4.47Å; F191-M223 HydrophobicContact CD2-CB 3.54Å; F191-M223 HydrophobicContact CD2-CE 4.47Å; F191-M223 HydrophobicContact CD2-CG 4.44Å; F191-M223 HydrophobicContact CD2-SD 4.14Å; F191-M223 HydrophobicContact CE1-CB 4.12Å; F191-M223 HydrophobicContact CE2-CB 3.57Å; F191-M223 HydrophobicContact CG-CB 3.82Å; F191-M223 HydrophobicContact CG-CE 3.64Å; F191-M223 HydrophobicContact CG-CG 4.46Å; F191-M223 HydrophobicContact CG-SD 3.82Å; F191-M223 HydrophobicContact CZ-CB 3.88Å; D193-M223 HydrophobicContact CB-CE 3.76Å; D193-M223 HydrophobicContact CB-SD 4.31Å; D193-M223 WeakPolarHBondContact OD2-CE 3.35Å; T194-M223 HydrophobicContact CG2-SD 3.86Å; M219-M223 WeakPolarHBondContact O-CG 3.47Å; M219-M223 PolarHBondContact O-N 3.07Å; C220-M223 PolarHBondContact O-N 2.91Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.47Å; M223-H226 PolarHBondContact O-N 3.42Å; M223-E227 WeakPolarHBondContact O-CG 3.45Å; M223-E227 PolarHBondContact O-N 3.2Å; M223-Y303 HydrophobicContact SD-CD1 3.98Å; M223-Y303 HydrophobicContact SD-CE1 4.19Å; M223-F305 HydrophobicContact CG-CE1 3.97Å; M223-F305 HydrophobicContact CG-CZ 3.8Å
224L92Very high86Confident0 Ų041.8 Ų41.80%020%0.201CC..Hα-helixtrans-63.4-44.8173.4-178.567.1000112Q139 Y176 Y179 P189 F191 C220 R221 L222 H226 E227 Y228Q139-L224 HydrophobicContact CB-CD1 4.44Å; Q139-L224 HydrophobicContact CG-CD1 4.25Å; Y176-L224 HydrophobicContact CD2-CD1 4.31Å; Y176-L224 HydrophobicContact CD2-CD2 4.23Å; Y176-L224 HydrophobicContact CD2-CG 4Å; Y176-L224 HydrophobicContact CE2-CD2 4.49Å; Y176-L224 HydrophobicContact CE2-CG 4.35Å; Y179-L224 HydrophobicContact CD1-CD2 3.41Å; Y179-L224 VanDerWaalsContact CD1-CD2 3.41Å; Y179-L224 HydrophobicContact CE1-CD2 3.94Å; Y179-L224 HydrophobicContact CG-CD2 4.08Å; P189-L224 HydrophobicContact CG-CD1 4.2Å; P189-L224 HydrophobicContact CG-CD2 4.44Å; F191-L224 HydrophobicContact CE2-CB 4.11Å; F191-L224 HydrophobicContact CZ-CB 4.19Å; C220-L224 PolarHBondContact O-N 3.43Å; R221-L224 WeakPolarHBondContact O-CB 3.3Å; R221-L224 PolarHBondContact O-N 3.45Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 2.79Å; L224-H226 VanDerWaalsContact C-N 3.29Å; L224-H226 PolarHBondContact O-N 3.26Å; L224-E227 PolarHBondContact O-N 3.08Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.06Å
225E92.9Very high88.2Confident4 Ų431.5 Ų31.52%0.01916%0.157CC..Hα-helixtrans-64.3-35.8178.5-64.4-65.9171.700111.8Y176 R221 L222 T229 R258 F262Y176-E225 PolarHBondContact OH-OE1 3.23Å; Y176-E225 PolarHBondContact OH-OE2 2.9Å; R221-E225 IonicContact CZ-OE1 3.67Å; R221-E225 VanDerWaalsContact CZ-OE1 3.23Å; R221-E225 IonicContact NE-OE1 3.14Å; R221-E225 PolarHBondContact NE-OE1 3.34Å; R221-E225 IonicContact NH2-OE1 3.24Å; R221-E225 PolarHBondContact NH2-OE1 3.27Å; R221-E225 WeakPolarHBondContact O-CG 3.34Å; R221-E225 PolarHBondContact O-N 2.81Å; L222-E225 PolarHBondContact O-N 2.63Å; E225-T229 WeakPolarHBondContact O-CB 3.45Å; E225-T229 PolarHBondContact O-N 3.43Å; E225-T229 PolarHBondContact O-OG1 3.14Å; E225-R258 PolarHBondContact O-NH2 3.32Å; E225-R258 IonicContact OE2-CZ 2.74Å; E225-R258 IonicContact OE2-NH1 2.82Å; E225-R258 PolarHBondContact OE2-NH1 2.81Å; E225-R258 IonicContact OE2-NH2 3.03Å; E225-R258 PolarHBondContact OE2-NH2 2.74Å; E225-F262 HydrophobicContact CB-CD1 4.24Å; E225-F262 HydrophobicContact CB-CD2 4.11Å; E225-F262 HydrophobicContact CB-CE1 4.05Å; E225-F262 HydrophobicContact CB-CE2 3.93Å; E225-F262 HydrophobicContact CB-CG 4.28Å; E225-F262 HydrophobicContact CB-CZ 3.89Å; E225-F262 HydrophobicContact CG-CD1 4.24Å; E225-F262 HydrophobicContact CG-CE1 3.63Å; E225-F262 HydrophobicContact CG-CE2 4.11Å; E225-F262 HydrophobicContact CG-CZ 3.55Å; E225-F262 WeakPolarHBondContact OE2-CE2 3.34Å; E225-F262 WeakPolarHBondContact OE2-CZ 3.17Å
226H90.9Very high90Very high19 Ų1926.9 Ų26.99%0.08814%0.135CC..Hα-helixtrans-63.1-55173.9-177.257.1000111.7L222 M223 L224 Y228 T229 K230 F266 F305L222-H226 WeakPolarHBondContact O-CB 3.25Å; L222-H226 PolarHBondContact O-N 2.65Å; M223-H226 PolarHBondContact O-N 3.42Å; L224-H226 VanDerWaalsContact C-N 3.29Å; L224-H226 PolarHBondContact O-N 3.26Å; H226-Y228 VanDerWaalsContact C-N 3.29Å; H226-Y228 PolarHBondContact O-N 3.25Å; H226-T229 WeakPolarHBondContact O-CB 3.43Å; H226-T229 PolarHBondContact O-N 2.66Å; H226-T229 VanDerWaalsContact O-N 3.07Å; H226-K230 WeakPolarHBondContact NE2-CE 3.44Å; H226-K230 PolarHBondContact NE2-NZ 3.39Å; H226-K230 PolarHBondContact O-N 3.08Å; H226-F266 HydrophobicContact CB-CE1 3.96Å; H226-F266 HydrophobicContact CB-CZ 3.74Å; H226-F305 HydrophobicContact CB-CD1 4.04Å; H226-F305 HydrophobicContact CB-CE1 4.08Å; H226-F305 AromaticContact CD2-CD1 3.93Å; H226-F305 AromaticContact CG-CD1 3.87Å
227E92.5Very high91.1Very high14 Ų1425.1 Ų25.17%0.06512%0.124CC..Hα-helixtrans-66.1-32.3-178.3-70.2-62.8141.500112.3K77 Q139 I140 N143 F191 M223 L224 K230 T231K77-E227 IonicContact NZ-OE1 3.48Å; Q139-E227 HydrophobicContact CG-CB 3.85Å; I140-E227 HydrophobicContact CD1-CG 4.26Å; I140-E227 HydrophobicContact CG1-CG 3.77Å; N143-E227 PolarHBondContact ND2-O 3.31Å; N143-E227 PolarHBondContact ND2-OE2 3.42Å; F191-E227 HydrophobicContact CE1-CG 4.07Å; M223-E227 WeakPolarHBondContact O-CG 3.45Å; M223-E227 PolarHBondContact O-N 3.2Å; L224-E227 PolarHBondContact O-N 3.08Å; E227-K230 WeakPolarHBondContact O-CB 3.4Å; E227-K230 PolarHBondContact O-N 3.32Å; E227-K230 IonicContact OE1-NZ 3.52Å; E227-K230 PolarHBondContact OE1-NZ 3.38Å; E227-T231 PolarHBondContact O-N 2.86Å; E227-T231 PolarHBondContact O-OG1 3.33Å; E227-T231 VanDerWaalsContact O-OG1 3.06Å
228Y95.7Very high91.7Very high34 Ų3423.9 Ų23.913%0.13312%0.117CC..Hα-helixtrans-71.3-33.8172.2-176.5-120.1000112.8Q173 Y176 L224 H226 K230 T231 I232Q173-Y228 HydrophobicContact CG-CE2 4.14Å; Y176-Y228 VanDerWaalsContact CB-CD2 3.41Å; Y176-Y228 AromaticContact CD1-CD1 3.54Å; Y176-Y228 HydrophobicContact CD1-CD1 3.54Å; Y176-Y228 AromaticContact CD1-CD2 3.85Å; Y176-Y228 HydrophobicContact CD1-CD2 3.85Å; Y176-Y228 AromaticContact CD1-CE1 3.35Å; Y176-Y228 HydrophobicContact CD1-CE1 3.35Å; Y176-Y228 AromaticContact CD1-CE2 3.65Å; Y176-Y228 HydrophobicContact CD1-CE2 3.65Å; Y176-Y228 AromaticContact CD1-CG 3.79Å; Y176-Y228 HydrophobicContact CD1-CG 3.79Å; Y176-Y228 AromaticContact CD1-CZ 3.39Å; Y176-Y228 AromaticContact CD2-CD1 3.52Å; Y176-Y228 HydrophobicContact CD2-CD1 3.52Å; Y176-Y228 AromaticContact CD2-CD2 3.82Å; Y176-Y228 HydrophobicContact CD2-CD2 3.82Å; Y176-Y228 HydrophobicContact CD2-CE1 4.24Å; Y176-Y228 HydrophobicContact CD2-CE2 4.47Å; Y176-Y228 AromaticContact CD2-CG 3.28Å; Y176-Y228 HydrophobicContact CD2-CG 3.28Å; Y176-Y228 AromaticContact CE1-CD1 3.43Å; Y176-Y228 HydrophobicContact CE1-CD1 3.43Å; Y176-Y228 VanDerWaalsContact CE1-CD1 3.43Å; Y176-Y228 AromaticContact CE1-CE1 3.23Å; Y176-Y228 HydrophobicContact CE1-CE1 3.23Å; Y176-Y228 HydrophobicContact CE1-CE2 4.4Å; Y176-Y228 HydrophobicContact CE1-CG 4.13Å; Y176-Y228 AromaticContact CE1-CZ 3.76Å; Y176-Y228 AromaticContact CE2-CD1 3.38Å; Y176-Y228 HydrophobicContact CE2-CD1 3.38Å; Y176-Y228 HydrophobicContact CE2-CE1 4.12Å; Y176-Y228 AromaticContact CE2-CG 3.63Å; Y176-Y228 HydrophobicContact CE2-CG 3.63Å; Y176-Y228 AromaticContact CG-CD1 3.57Å; Y176-Y228 HydrophobicContact CG-CD1 3.57Å; Y176-Y228 AromaticContact CG-CD2 3.41Å; Y176-Y228 HydrophobicContact CG-CD2 3.41Å; Y176-Y228 VanDerWaalsContact CG-CD2 3.41Å; Y176-Y228 AromaticContact CG-CE1 3.86Å; Y176-Y228 HydrophobicContact CG-CE1 3.86Å; Y176-Y228 AromaticContact CG-CE2 3.68Å; Y176-Y228 HydrophobicContact CG-CE2 3.68Å; Y176-Y228 AromaticContact CG-CG 3.34Å; Y176-Y228 HydrophobicContact CG-CG 3.34Å; Y176-Y228 AromaticContact CG-CZ 3.89Å; Y176-Y228 AromaticContact CZ-CD1 3.32Å; Y176-Y228 AromaticContact CZ-CE1 3.63Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.06Å; H226-Y228 VanDerWaalsContact C-N 3.29Å; H226-Y228 PolarHBondContact O-N 3.25Å; Y228-K230 VanDerWaalsContact C-N 3.29Å; Y228-K230 PolarHBondContact O-N 3.46Å; Y228-T231 WeakPolarHBondContact O-CA 3.36Å; Y228-T231 VanDerWaalsContact O-CB 3.26Å; Y228-T231 WeakPolarHBondContact O-CB 3.48Å; Y228-T231 PolarHBondContact O-N 3.18Å; Y228-T231 VanDerWaalsContact O-N 3.08Å; Y228-I232 HydrophobicContact CD1-CG1 4.5Å; Y228-I232 HydrophobicContact CE1-CD1 4.21Å; Y228-I232 HydrophobicContact CE1-CG1 4.11Å; Y228-I232 HydrophobicContact CE2-CD1 4.01Å; Y228-I232 HydrophobicContact CE2-CG1 4.39Å; Y228-I232 WeakPolarHBondContact O-CG1 3.48Å; Y228-I232 PolarHBondContact O-N 3.43Å
229T95.1Very high92.3Very high13 Ų1322.9 Ų22.98%0.0811%0.108CC..Hα-helixtrans-63.3-38.8173.2-55.40000110.8E225 H226 T231 I232 F233 T255 R258 Q259E225-T229 WeakPolarHBondContact O-CB 3.45Å; E225-T229 PolarHBondContact O-N 3.43Å; E225-T229 PolarHBondContact O-OG1 3.14Å; H226-T229 WeakPolarHBondContact O-CB 3.43Å; H226-T229 PolarHBondContact O-N 2.66Å; H226-T229 VanDerWaalsContact O-N 3.07Å; T229-T231 VanDerWaalsContact C-N 3.33Å; T229-T231 PolarHBondContact O-N 3.05Å; T229-I232 PolarHBondContact O-N 2.97Å; T229-F233 PolarHBondContact O-N 3.3Å; T229-T255 HydrophobicContact CG2-CG2 4.15Å; T229-R258 HydrophobicContact CG2-CB 3.98Å; T229-R258 PolarHBondContact OG1-NE 2.92Å; T229-R258 PolarHBondContact OG1-NH2 3.47Å; T229-R258 VanDerWaalsContact OG1-NH2 3.17Å; T229-Q259 HydrophobicContact CG2-CG 4.25Å
230K93.7Very high92.8Very high65 Ų6525.9 Ų25.928%0.28312%0.121SC..Hα-helixtrans-60.6-40.7169.6-65.3179.1-175.91700112.3H226 E227 Y228 I232 F233 L234H226-K230 WeakPolarHBondContact NE2-CE 3.44Å; H226-K230 PolarHBondContact NE2-NZ 3.39Å; H226-K230 PolarHBondContact O-N 3.08Å; E227-K230 WeakPolarHBondContact O-CB 3.4Å; E227-K230 PolarHBondContact O-N 3.32Å; E227-K230 IonicContact OE1-NZ 3.52Å; E227-K230 PolarHBondContact OE1-NZ 3.38Å; Y228-K230 VanDerWaalsContact C-N 3.29Å; Y228-K230 PolarHBondContact O-N 3.46Å; K230-I232 PolarHBondContact O-N 3.15Å; K230-F233 PolarHBondContact O-N 3.3Å; K230-L234 WeakPolarHBondContact O-CB 3.37Å; K230-L234 VanDerWaalsContact O-CG 3.26Å; K230-L234 WeakPolarHBondContact O-CG 3.45Å; K230-L234 PolarHBondContact O-N 3.04Å
231T96.7Very high93Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-57.6-48.7175.1-52.40000111.4Q139 N143 L169 A172 Q173 E227 Y228 T229 F233 L234 V235Q139-T231 PolarHBondContact NE2-OG1 3.13Å; N143-T231 PolarHBondContact ND2-OG1 3.13Å; N143-T231 WeakPolarHBondContact OD1-CB 3.4Å; N143-T231 PolarHBondContact OD1-OG1 3.29Å; L169-T231 HydrophobicContact CD2-CG2 4.01Å; A172-T231 HydrophobicContact CB-CG2 3.6Å; Q173-T231 HydrophobicContact CG-CG2 4.06Å; E227-T231 PolarHBondContact O-N 2.86Å; E227-T231 PolarHBondContact O-OG1 3.33Å; E227-T231 VanDerWaalsContact O-OG1 3.06Å; Y228-T231 WeakPolarHBondContact O-CA 3.36Å; Y228-T231 VanDerWaalsContact O-CB 3.26Å; Y228-T231 WeakPolarHBondContact O-CB 3.48Å; Y228-T231 PolarHBondContact O-N 3.18Å; Y228-T231 VanDerWaalsContact O-N 3.08Å; T229-T231 VanDerWaalsContact C-N 3.33Å; T229-T231 PolarHBondContact O-N 3.05Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 2.9Å; T231-L234 PolarHBondContact O-N 3.29Å; T231-V235 VanDerWaalsContact O-CG2 3.27Å; T231-V235 WeakPolarHBondContact O-CG2 3.34Å; T231-V235 PolarHBondContact O-N 3.13Å
232I97Very high93.1Very high1 Ų132.6 Ų32.61%0.00516%0.16CC..Hα-helixtrans-60.9-43.8178.5-63.6-51000111.1Y228 T229 K230 V235 A236 Y251 L254 T255Y228-I232 HydrophobicContact CD1-CG1 4.5Å; Y228-I232 HydrophobicContact CE1-CD1 4.21Å; Y228-I232 HydrophobicContact CE1-CG1 4.11Å; Y228-I232 HydrophobicContact CE2-CD1 4.01Å; Y228-I232 HydrophobicContact CE2-CG1 4.39Å; Y228-I232 WeakPolarHBondContact O-CG1 3.48Å; Y228-I232 PolarHBondContact O-N 3.43Å; T229-I232 PolarHBondContact O-N 2.97Å; K230-I232 PolarHBondContact O-N 3.15Å; I232-V235 WeakPolarHBondContact O-CB 3.36Å; I232-V235 PolarHBondContact O-N 2.81Å; I232-A236 PolarHBondContact O-N 3.16Å; I232-Y251 HydrophobicContact CD1-CD1 4.2Å; I232-Y251 HydrophobicContact CD1-CE1 4.09Å; I232-Y251 HydrophobicContact CG2-CD1 3.87Å; I232-Y251 WeakPolarHBondContact CG2-O 3.39Å; I232-L254 HydrophobicContact CD1-CD2 4.17Å; I232-L254 HydrophobicContact CG1-CD2 4.32Å; I232-L254 HydrophobicContact CG2-CB 3.98Å; I232-L254 HydrophobicContact CG2-CD2 3.94Å; I232-L254 HydrophobicContact CG2-CG 3.86Å; I232-T255 VanDerWaalsContact CG2-OG1 3.25Å; I232-T255 WeakPolarHBondContact CG2-OG1 3.29Å
233F94.8Very high93.3Very high94 Ų9434.6 Ų34.641%0.41218%0.183SC..Hα-helixtrans-60.9-46.4176.3177.3-108.8000112.4T229 K230 T231 V235 A236 Q237 T255T229-F233 PolarHBondContact O-N 3.3Å; K230-F233 PolarHBondContact O-N 3.3Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 2.9Å; F233-V235 VanDerWaalsContact C-N 3.3Å; F233-V235 PolarHBondContact O-N 3.48Å; F233-A236 VanDerWaalsContact O-CB 3.28Å; F233-A236 WeakPolarHBondContact O-CB 3.22Å; F233-A236 PolarHBondContact O-N 2.96Å; F233-A236 VanDerWaalsContact O-N 3.1Å; F233-Q237 VanDerWaalsContact CE1-CD 3.49Å; F233-Q237 HydrophobicContact CE1-CG 4.2Å; F233-Q237 HydrophobicContact CZ-CG 4.19Å; F233-Q237 PolarHBondContact O-N 2.86Å; F233-T255 HydrophobicContact CB-CG2 3.91Å; F233-T255 HydrophobicContact CD2-CG2 4.15Å; F233-T255 HydrophobicContact CG-CG2 4.46Å; F233-T255 PolarHBondContact N-OG1 3.05Å
234L95Very high93.6Very high16 Ų1638.9 Ų38.98%0.08420%0.201CC..Hα-helixtrans-62.1-37.2176.1-69.9170000111.8N143 V147 L169 K230 T231 A236 Q237 V238N143-L234 HydrophobicContact CB-CD1 4.34Å; V147-L234 HydrophobicContact CG2-CD1 3.81Å; V147-L234 HydrophobicContact CG2-CD2 3.7Å; V147-L234 HydrophobicContact CG2-CG 4.43Å; L169-L234 HydrophobicContact CD1-CB 4.14Å; L169-L234 HydrophobicContact CD2-CB 3.6Å; L169-L234 HydrophobicContact CD2-CD1 4.08Å; K230-L234 WeakPolarHBondContact O-CB 3.37Å; K230-L234 VanDerWaalsContact O-CG 3.26Å; K230-L234 WeakPolarHBondContact O-CG 3.45Å; K230-L234 PolarHBondContact O-N 3.04Å; T231-L234 PolarHBondContact O-N 3.29Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.31Å; L234-Q237 PolarHBondContact O-N 3.08Å; L234-V238 WeakPolarHBondContact O-CG2 3.36Å; L234-V238 PolarHBondContact O-N 2.97Å
235V96.5Very high93.7Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-61.8-42.5173.3174.40000110.7M166 L169 T231 I232 F233 Q237 V238 H239 Y251M166-V235 HydrophobicContact CE-CG1 4.27Å; L169-V235 HydrophobicContact CB-CG2 3.67Å; L169-V235 HydrophobicContact CD1-CB 4.4Å; L169-V235 HydrophobicContact CD1-CG2 3.75Å; L169-V235 HydrophobicContact CD2-CG2 4.27Å; L169-V235 HydrophobicContact CG-CG2 4.09Å; T231-V235 VanDerWaalsContact O-CG2 3.27Å; T231-V235 WeakPolarHBondContact O-CG2 3.34Å; T231-V235 PolarHBondContact O-N 3.13Å; I232-V235 WeakPolarHBondContact O-CB 3.36Å; I232-V235 PolarHBondContact O-N 2.81Å; F233-V235 VanDerWaalsContact C-N 3.3Å; F233-V235 PolarHBondContact O-N 3.48Å; V235-Q237 VanDerWaalsContact C-N 3.34Å; V235-Q237 PolarHBondContact O-N 3.12Å; V235-V238 PolarHBondContact O-N 3.34Å; V235-H239 PolarHBondContact O-CD2 3.27Å; V235-H239 PolarHBondContact O-N 2.88Å; V235-Y251 HydrophobicContact CB-CD1 4.13Å; V235-Y251 HydrophobicContact CB-CE1 4.23Å; V235-Y251 HydrophobicContact CB-CG 4.29Å; V235-Y251 HydrophobicContact CG1-CD1 3.78Å; V235-Y251 HydrophobicContact CG1-CD2 3.53Å; V235-Y251 HydrophobicContact CG1-CE1 3.64Å; V235-Y251 HydrophobicContact CG1-CE2 3.37Å; V235-Y251 HydrophobicContact CG1-CG 3.74Å; V235-Y251 VanDerWaalsContact CG1-CZ 3.43Å
236A95.3Very high93.7Very high1 Ų149 Ų491%0.00825%0.251CS..Hα-helixtrans-59-45.3175.100000112I232 F233 L234 H239 Q240 S248I232-A236 PolarHBondContact O-N 3.16Å; F233-A236 VanDerWaalsContact O-CB 3.28Å; F233-A236 WeakPolarHBondContact O-CB 3.22Å; F233-A236 PolarHBondContact O-N 2.96Å; F233-A236 VanDerWaalsContact O-N 3.1Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.31Å; A236-H239 PolarHBondContact O-N 3.12Å; A236-Q240 PolarHBondContact O-N 3.04Å; A236-S248 WeakPolarHBondContact O-CB 3.36Å; A236-S248 PolarHBondContact O-OG 2.98Å
237Q93.3Very high93.9Very high77 Ų7751.9 Ų51.936%0.3626%0.264SS..Hα-helixtrans-63.2-43.8178-69.7-174.8-29.400112.2F233 L234 V235 Q240 L241F233-Q237 VanDerWaalsContact CE1-CD 3.49Å; F233-Q237 HydrophobicContact CE1-CG 4.2Å; F233-Q237 HydrophobicContact CZ-CG 4.19Å; F233-Q237 PolarHBondContact O-N 2.86Å; L234-Q237 PolarHBondContact O-N 3.08Å; V235-Q237 VanDerWaalsContact C-N 3.34Å; V235-Q237 PolarHBondContact O-N 3.12Å; Q237-Q240 WeakPolarHBondContact O-CB 3.26Å; Q237-Q240 PolarHBondContact O-N 3.24Å; Q237-L241 WeakPolarHBondContact O-CG 3.34Å; Q237-L241 PolarHBondContact O-N 2.94Å
238V93.3Very high94.1Very high6 Ų651.6 Ų51.64%0.03626%0.264CS..Hα-helixtrans-64.9-42.2177.9176.50000111.2V150 P165 M166 L169 L234 V235 Q240 L241 V242V150-V238 HydrophobicContact CG2-CG2 3.52Å; P165-V238 HydrophobicContact CB-CG1 4.38Å; P165-V238 HydrophobicContact CB-CG2 3.81Å; M166-V238 HydrophobicContact CG-CG1 3.58Å; M166-V238 HydrophobicContact SD-CB 3.95Å; M166-V238 HydrophobicContact SD-CG1 3.55Å; M166-V238 VanDerWaalsContact SD-CG1 3.55Å; L169-V238 HydrophobicContact CD1-CB 4.4Å; L169-V238 HydrophobicContact CD1-CG2 3.78Å; L234-V238 WeakPolarHBondContact O-CG2 3.36Å; L234-V238 PolarHBondContact O-N 2.97Å; V235-V238 PolarHBondContact O-N 3.34Å; V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 PolarHBondContact O-N 3.28Å; V238-L241 PolarHBondContact O-N 3.44Å; V238-V242 HydrophobicContact CG1-CG2 4.34Å; V238-V242 VanDerWaalsContact O-CG2 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.19Å; V238-V242 PolarHBondContact O-N 3.29Å
239H94.4Very high94.1Very high22 Ų2250.2 Ų50.210%0.10226%0.26CS..Hα-helixtrans-61.7-36.5174.4-82.1-67.8000112.6V235 A236 V242 G243 K244 Q247 Y251V235-H239 PolarHBondContact O-CD2 3.27Å; V235-H239 PolarHBondContact O-N 2.88Å; A236-H239 PolarHBondContact O-N 3.12Å; H239-V242 PolarHBondContact O-N 2.87Å; H239-G243 PolarHBondContact O-N 3.27Å; H239-K244 HydrophobicContact CB-CB 4.43Å; H239-K244 PolarHBondContact O-N 3.41Å; H239-Q247 HydrophobicContact CB-CB 4.22Å; H239-Q247 PolarHBondContact CE1-OE1 2.91Å; H239-Q247 PolarHBondContact ND1-OE1 3.4Å; H239-Y251 AromaticContact CD2-CD2 3.77Å; H239-Y251 AromaticContact CD2-CE2 3.8Å; H239-Y251 AromaticContact NE2-CE2 3.7Å
240Q91.6Very high94.2Very high102 Ų10253.6 Ų53.648%0.47728%0.277SS..Hα-helixtrans-63.5-47.7174-17663.711.900111.4A236 Q237 V238 V242 G243A236-Q240 PolarHBondContact O-N 3.04Å; Q237-Q240 WeakPolarHBondContact O-CB 3.26Å; Q237-Q240 PolarHBondContact O-N 3.24Å; V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 PolarHBondContact O-N 3.28Å; Q240-V242 VanDerWaalsContact C-N 3.28Å; Q240-V242 PolarHBondContact O-N 3.17Å; Q240-G243 PolarHBondContact O-N 3.1Å
241L89.4Confident94.3Very high94 Ų9453.3 Ų53.349%0.49228%0.275SS..Hα-helixtrans-61.9-33.7178.5-70.4173.1000112.8V150 T154 Q237 V238 G243V150-L241 HydrophobicContact CG1-CD1 3.81Å; T154-L241 HydrophobicContact CG2-CD1 4.49Å; Q237-L241 WeakPolarHBondContact O-CG 3.34Å; Q237-L241 PolarHBondContact O-N 2.94Å; V238-L241 PolarHBondContact O-N 3.44Å; L241-G243 PolarHBondContact O-N 2.9Å
242V90Very high94.4Very high94 Ų9455.2 Ų55.257%0.5729%0.288SS*.THydrogen-bonded Turntrans-81.4-3.2176.7-179.20000112.1V238 H239 Q240 K244V238-V242 HydrophobicContact CG1-CG2 4.34Å; V238-V242 VanDerWaalsContact O-CG2 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.19Å; V238-V242 PolarHBondContact O-N 3.29Å; H239-V242 PolarHBondContact O-N 2.87Å; Q240-V242 VanDerWaalsContact C-N 3.28Å; Q240-V242 PolarHBondContact O-N 3.17Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 HydrophobicContact CG1-CD 4.48Å; V242-K244 HydrophobicContact CG1-CG 4.22Å
243G91.5Very high94.4Very high53 Ų5357.2 Ų57.255%0.54630%0.297SS..THydrogen-bonded Turntrans80.98179.600000114.8H239 Q240 L241 R245H239-G243 PolarHBondContact O-N 3.27Å; Q240-G243 PolarHBondContact O-N 3.1Å; L241-G243 PolarHBondContact O-N 2.9Å; G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.33Å; G243-R245 VanDerWaalsContact O-N 3.09Å
244K93.3Very high94.5Very high108 Ų10855.7 Ų55.747%0.4729%0.293SS..  trans-86.870.3178.3-59.7-168.3-173.6179.10111H239 V242 A246 Q247 S248H239-K244 HydrophobicContact CB-CB 4.43Å; H239-K244 PolarHBondContact O-N 3.41Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 HydrophobicContact CG1-CD 4.48Å; V242-K244 HydrophobicContact CG1-CG 4.22Å; K244-A246 PolarHBondContact O-N 3.07Å; K244-Q247 HydrophobicContact CB-CB 4.45Å; K244-Q247 VanDerWaalsContact CB-OE1 3.27Å; K244-Q247 PolarHBondContact O-N 2.95Å; K244-S248 PolarHBondContact O-N 3.42Å
245R93.9Very high94.6Very high163 Ų16355.2 Ų55.262%0.61529%0.291SS*.Hα-helixtrans-57.4-40.9-172.1-64.2-174.6-178.8143.10.1114.7G243 Q247 S248 A249 Y323G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.33Å; G243-R245 VanDerWaalsContact O-N 3.09Å; R245-Q247 PolarHBondContact O-N 3.18Å; R245-S248 WeakPolarHBondContact O-CB 3.33Å; R245-S248 PolarHBondContact O-N 3.32Å; R245-A249 PolarHBondContact O-N 3.2Å; R245-Y323 HydrophobicContact CB-CD2 4.44Å; R245-Y323 HydrophobicContact CB-CE2 3.78Å
246A94.6Very high94.6Very high54 Ų5455.6 Ų55.645%0.44629%0.293SS..Hα-helixtrans-61-46.6179.700000112.6K244 S248 A249 D250 Y323K244-A246 PolarHBondContact O-N 3.07Å; A246-S248 VanDerWaalsContact C-N 3.33Å; A246-S248 PolarHBondContact O-N 3.39Å; A246-A249 PolarHBondContact O-N 3.43Å; A246-D250 PolarHBondContact O-N 3.17Å; A246-Y323 WeakPolarHBondContact CA-OH 3.36Å; A246-Y323 WeakPolarHBondContact CB-OH 3.21Å; A246-Y323 PolarHBondContact N-OH 2.81Å
247Q95.1Very high94.7Very high78 Ų7857.2 Ų57.236%0.36430%0.301SS..Hα-helixtrans-65.8-40.2176.8-69160.5-6.500110.9H239 K244 R245 A249 D250 Y251H239-Q247 HydrophobicContact CB-CB 4.22Å; H239-Q247 PolarHBondContact CE1-OE1 2.91Å; H239-Q247 PolarHBondContact ND1-OE1 3.4Å; K244-Q247 HydrophobicContact CB-CB 4.45Å; K244-Q247 VanDerWaalsContact CB-OE1 3.27Å; K244-Q247 PolarHBondContact O-N 2.95Å; R245-Q247 PolarHBondContact O-N 3.18Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 3.2Å; Q247-D250 PolarHBondContact O-N 3.29Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.45Å; Q247-Y251 PolarHBondContact O-N 2.95Å; Q247-Y251 VanDerWaalsContact O-N 3.08Å
248S96.1Very high94.7Very high8 Ų854.4 Ų54.46%0.05629%0.287CS..Hα-helixtrans-56.1-47.6173.8-172.70000111.4A236 K244 R245 A246 D250 Y251 C252A236-S248 WeakPolarHBondContact O-CB 3.36Å; A236-S248 PolarHBondContact O-OG 2.98Å; K244-S248 PolarHBondContact O-N 3.42Å; R245-S248 WeakPolarHBondContact O-CB 3.33Å; R245-S248 PolarHBondContact O-N 3.32Å; A246-S248 VanDerWaalsContact C-N 3.33Å; A246-S248 PolarHBondContact O-N 3.39Å; S248-D250 PolarHBondContact O-N 2.92Å; S248-Y251 PolarHBondContact O-N 3.22Å; S248-C252 WeakPolarHBondContact O-CB 3.35Å; S248-C252 PolarHBondContact O-N 3.35Å; S248-C252 PolarHBondContact O-SG 2.91Å
249A96.3Very high94.8Very high6 Ų656.6 Ų56.65%0.0530%0.297CS..Hα-helixtrans-61.8-42.6178.400000113.2R245 A246 Q247 Y251 C252 Q253 L320 Y323 F324R245-A249 PolarHBondContact O-N 3.2Å; A246-A249 PolarHBondContact O-N 3.43Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 3.2Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 3.5Å; A249-C252 WeakPolarHBondContact O-CB 3.48Å; A249-C252 PolarHBondContact O-N 2.95Å; A249-Q253 WeakPolarHBondContact O-CB 3.33Å; A249-Q253 PolarHBondContact O-N 3.47Å; A249-L320 HydrophobicContact CB-CD1 3.88Å; A249-Y323 HydrophobicContact CB-CD1 3.28Å; A249-Y323 HydrophobicContact CB-CE1 3.19Å; A249-Y323 HydrophobicContact CB-CG 4.08Å; A249-F324 HydrophobicContact CB-CE1 4.48Å
250D96.1Very high94.7Very high84 Ų8456.9 Ų56.945%0.44930%0.299SS..Hα-helixtrans-60.4-42.6176.3-67-25.3000111.6A246 Q247 S248 L254A246-D250 PolarHBondContact O-N 3.17Å; Q247-D250 PolarHBondContact O-N 3.29Å; S248-D250 PolarHBondContact O-N 2.92Å; D250-L254 WeakPolarHBondContact O-CB 3.4Å; D250-L254 PolarHBondContact O-N 3Å
251Y97.2Very high94.7Very high59 Ų5957.9 Ų57.923%0.23130%0.302CS..Hα-helixtrans-72.9-32.5176.6-78.3-74.5000112.8Q173 I232 V235 H239 Q247 S248 A249 L254 T255Q173-Y251 PolarHBondContact NE2-OH 3.42Å; I232-Y251 HydrophobicContact CD1-CD1 4.2Å; I232-Y251 HydrophobicContact CD1-CE1 4.09Å; I232-Y251 HydrophobicContact CG2-CD1 3.87Å; I232-Y251 WeakPolarHBondContact CG2-O 3.39Å; V235-Y251 HydrophobicContact CB-CD1 4.13Å; V235-Y251 HydrophobicContact CB-CE1 4.23Å; V235-Y251 HydrophobicContact CB-CG 4.29Å; V235-Y251 HydrophobicContact CG1-CD1 3.78Å; V235-Y251 HydrophobicContact CG1-CD2 3.53Å; V235-Y251 HydrophobicContact CG1-CE1 3.64Å; V235-Y251 HydrophobicContact CG1-CE2 3.37Å; V235-Y251 HydrophobicContact CG1-CG 3.74Å; V235-Y251 VanDerWaalsContact CG1-CZ 3.43Å; H239-Y251 AromaticContact CD2-CD2 3.77Å; H239-Y251 AromaticContact CD2-CE2 3.8Å; H239-Y251 AromaticContact NE2-CE2 3.7Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.45Å; Q247-Y251 PolarHBondContact O-N 2.95Å; Q247-Y251 VanDerWaalsContact O-N 3.08Å; S248-Y251 PolarHBondContact O-N 3.22Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 3.5Å; Y251-L254 PolarHBondContact O-N 3.4Å; Y251-T255 WeakPolarHBondContact O-CB 3.36Å; Y251-T255 PolarHBondContact O-N 3.18Å; Y251-T255 PolarHBondContact O-OG1 2.99Å
252C97.3Very high94.7Very high40 Ų4053.5 Ų53.527%0.2728%0.279SS..Hα-helixtrans-62.5-48.6170.5-74.80000111.1S248 A249 L254 T255 L256 L320S248-C252 WeakPolarHBondContact O-CB 3.35Å; S248-C252 PolarHBondContact O-N 3.35Å; S248-C252 PolarHBondContact O-SG 2.91Å; A249-C252 WeakPolarHBondContact O-CB 3.48Å; A249-C252 PolarHBondContact O-N 2.95Å; C252-L254 VanDerWaalsContact C-N 3.32Å; C252-L254 PolarHBondContact O-N 3.42Å; C252-T255 WeakPolarHBondContact O-CB 3.44Å; C252-T255 PolarHBondContact O-N 2.85Å; C252-T255 VanDerWaalsContact O-N 3.14Å; C252-L256 WeakPolarHBondContact O-CG 3.45Å; C252-L256 PolarHBondContact O-N 2.86Å; C252-L320 HydrophobicContact CB-CD1 4.2Å
253Q97.6Very high94.6Very high42 Ų4249.9 Ų49.920%0.19626%0.257CS..Hα-helixtrans-55.7-48.3174.6-173.6-154.9-43.700110.8A249 T255 L256 L257 L320 M418 F419A249-Q253 WeakPolarHBondContact O-CB 3.33Å; A249-Q253 PolarHBondContact O-N 3.47Å; Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 3.25Å; Q253-L256 PolarHBondContact O-N 2.82Å; Q253-L257 WeakPolarHBondContact O-CB 3.27Å; Q253-L257 PolarHBondContact O-N 3.2Å; Q253-L320 HydrophobicContact CB-CD2 3.94Å; Q253-L320 HydrophobicContact CG-CD2 4.49Å; Q253-M418 HydrophobicContact CG-CE 4.31Å; Q253-M418 HydrophobicContact CG-CG 3.62Å; Q253-M418 HydrophobicContact CG-SD 4.14Å; Q253-M418 PolarHBondContact NE2-O 2.86Å; Q253-F419 HydrophobicContact CG-CE1 3.86Å; Q253-F419 HydrophobicContact CG-CZ 4.08Å
254L96.4Very high94.3Very high63 Ų6353.1 Ų53.133%0.3326%0.257SS..Hα-helixtrans-62.9-37.1178.8-17857.6000112.2I232 D250 Y251 C252 L257 R258I232-L254 HydrophobicContact CD1-CD2 4.17Å; I232-L254 HydrophobicContact CG1-CD2 4.32Å; I232-L254 HydrophobicContact CG2-CB 3.98Å; I232-L254 HydrophobicContact CG2-CD2 3.94Å; I232-L254 HydrophobicContact CG2-CG 3.86Å; D250-L254 WeakPolarHBondContact O-CB 3.4Å; D250-L254 PolarHBondContact O-N 3Å; Y251-L254 PolarHBondContact O-N 3.4Å; C252-L254 VanDerWaalsContact C-N 3.32Å; C252-L254 PolarHBondContact O-N 3.42Å; L254-L257 HydrophobicContact CD1-CD2 4.4Å; L254-R258 HydrophobicContact CD1-CG 4.26Å; L254-R258 WeakPolarHBondContact O-CB 3.38Å; L254-R258 WeakPolarHBondContact O-CG 3.37Å; L254-R258 PolarHBondContact O-N 2.72Å
255T96.9Very high93.9Very high6 Ų648.7 Ų48.74%0.03724%0.239CC..Hα-helixtrans-62-51.4175.4-59.30000110.7T229 I232 F233 Y251 C252 Q253 L257 R258 Q259T229-T255 HydrophobicContact CG2-CG2 4.15Å; I232-T255 VanDerWaalsContact CG2-OG1 3.25Å; I232-T255 WeakPolarHBondContact CG2-OG1 3.29Å; F233-T255 HydrophobicContact CB-CG2 3.91Å; F233-T255 HydrophobicContact CD2-CG2 4.15Å; F233-T255 HydrophobicContact CG-CG2 4.46Å; F233-T255 PolarHBondContact N-OG1 3.05Å; Y251-T255 WeakPolarHBondContact O-CB 3.36Å; Y251-T255 PolarHBondContact O-N 3.18Å; Y251-T255 PolarHBondContact O-OG1 2.99Å; C252-T255 WeakPolarHBondContact O-CB 3.44Å; C252-T255 PolarHBondContact O-N 2.85Å; C252-T255 VanDerWaalsContact O-N 3.14Å; Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 3.25Å; T255-L257 PolarHBondContact O-N 2.91Å; T255-R258 PolarHBondContact O-N 2.86Å; T255-R258 VanDerWaalsContact O-N 3.16Å; T255-Q259 WeakPolarHBondContact O-CG 3.48Å; T255-Q259 PolarHBondContact O-N 3.22Å
256L97.2Very high93.3Very high8 Ų842 Ų424%0.04222%0.215CC..Hα-helixtrans-60.6-43.6179.1-70.8174.7000112C252 Q253 R258 Q259 L260 W313 N316 A317 L320 F419C252-L256 WeakPolarHBondContact O-CG 3.45Å; C252-L256 PolarHBondContact O-N 2.86Å; Q253-L256 PolarHBondContact O-N 2.82Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.44Å; L256-Q259 PolarHBondContact O-N 2.97Å; L256-L260 PolarHBondContact O-N 3.33Å; L256-L260 VanDerWaalsContact O-N 3.11Å; L256-W313 HydrophobicContact CB-CZ2 3.86Å; L256-W313 HydrophobicContact CD2-CD2 4.24Å; L256-W313 HydrophobicContact CD2-CG 4.1Å; L256-W313 HydrophobicContact CD2-CZ2 4.47Å; L256-W313 PolarHBondContact O-NE1 2.96Å; L256-N316 HydrophobicContact CD2-CB 3.82Å; L256-A317 HydrophobicContact CD1-CB 4.24Å; L256-L320 HydrophobicContact CD1-CD2 3.95Å; L256-F419 HydrophobicContact CB-CD1 4.26Å; L256-F419 HydrophobicContact CB-CE1 3.64Å; L256-F419 HydrophobicContact CB-CZ 4.39Å; L256-F419 HydrophobicContact CD1-CE1 4.22Å; L256-F419 HydrophobicContact CD1-CZ 4.15Å
257L96.7Very high92.5Very high35 Ų3543.3 Ų43.318%0.18321%0.21CC..Hα-helixtrans-59.2-43.5174.717163.5000111.6Q253 L254 T255 L260 K261 F419 N420Q253-L257 WeakPolarHBondContact O-CB 3.27Å; Q253-L257 PolarHBondContact O-N 3.2Å; L254-L257 HydrophobicContact CD1-CD2 4.4Å; T255-L257 PolarHBondContact O-N 2.91Å; L257-L260 PolarHBondContact O-N 3.13Å; L257-K261 WeakPolarHBondContact O-CB 3.25Å; L257-K261 PolarHBondContact O-N 3.01Å; L257-F419 HydrophobicContact CB-CD1 4.18Å; L257-N420 HydrophobicContact CD1-CB 4.45Å; L257-N420 WeakPolarHBondContact CD1-ND2 3.25Å
258R94.6Very high91.6Very high17 Ų1743.8 Ų43.86%0.06421%0.211CC..Hα-helixtrans-67.5-39.3178.5-74178.863.874.411.1111.9Y176 E225 T229 L254 T255 L256 L260 K261 F262Y176-R258 PolarHBondContact OH-NH1 3.49Å; E225-R258 PolarHBondContact O-NH2 3.32Å; E225-R258 IonicContact OE2-CZ 2.74Å; E225-R258 IonicContact OE2-NH1 2.82Å; E225-R258 PolarHBondContact OE2-NH1 2.81Å; E225-R258 IonicContact OE2-NH2 3.03Å; E225-R258 PolarHBondContact OE2-NH2 2.74Å; T229-R258 HydrophobicContact CG2-CB 3.98Å; T229-R258 PolarHBondContact OG1-NE 2.92Å; T229-R258 PolarHBondContact OG1-NH2 3.47Å; T229-R258 VanDerWaalsContact OG1-NH2 3.17Å; L254-R258 HydrophobicContact CD1-CG 4.26Å; L254-R258 WeakPolarHBondContact O-CB 3.38Å; L254-R258 WeakPolarHBondContact O-CG 3.37Å; L254-R258 PolarHBondContact O-N 2.72Å; T255-R258 PolarHBondContact O-N 2.86Å; T255-R258 VanDerWaalsContact O-N 3.16Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.44Å; R258-L260 PolarHBondContact O-N 3.23Å; R258-K261 PolarHBondContact O-N 3.33Å; R258-F262 WeakPolarHBondContact O-CD2 3.03Å; R258-F262 PolarHBondContact O-N 3.49Å; R258-F262 VanDerWaalsContact O-N 3.1Å
259Q94Very high90.4Very high53 Ų5343.8 Ų43.825%0.24821%0.212CC..Hα-helixtrans-57.8-47.4174.7-73.5172-23.700111T229 T255 L256 F262 C263 F308 W313T229-Q259 HydrophobicContact CG2-CG 4.25Å; T255-Q259 WeakPolarHBondContact O-CG 3.48Å; T255-Q259 PolarHBondContact O-N 3.22Å; L256-Q259 PolarHBondContact O-N 2.97Å; Q259-F262 PolarHBondContact O-N 3.48Å; Q259-C263 WeakPolarHBondContact O-CA 3.48Å; Q259-C263 WeakPolarHBondContact O-CB 3.3Å; Q259-C263 PolarHBondContact O-N 3Å; Q259-F308 HydrophobicContact CB-CD2 4.28Å; Q259-F308 HydrophobicContact CB-CE2 4.29Å; Q259-W313 VanDerWaalsContact OE1-CD1 3.3Å
260L93.2Very high89.1Confident28 Ų2844.6 Ų44.615%0.14722%0.216CC..Hα-helixtrans-63.9-42.3174.8-71.1177.7000112.9L256 L257 R258 F262 C263 F308 W313 V347 F419 L421L256-L260 PolarHBondContact O-N 3.33Å; L256-L260 VanDerWaalsContact O-N 3.11Å; L257-L260 PolarHBondContact O-N 3.13Å; R258-L260 PolarHBondContact O-N 3.23Å; L260-F262 PolarHBondContact O-N 3.47Å; L260-C263 PolarHBondContact O-SG 3.48Å; L260-F308 HydrophobicContact CD2-CE2 3.84Å; L260-F308 HydrophobicContact CD2-CZ 3.51Å; L260-W313 HydrophobicContact CD1-CH2 3.76Å; L260-W313 HydrophobicContact CD1-CZ2 3.26Å; L260-W313 HydrophobicContact CD2-CD2 4.39Å; L260-W313 HydrophobicContact CD2-CZ2 4.32Å; L260-W313 HydrophobicContact CG-CD2 4.5Å; L260-W313 HydrophobicContact CG-CZ2 3.69Å; L260-V347 HydrophobicContact CD1-CG2 4.37Å; L260-V347 HydrophobicContact CD2-CG2 3.78Å; L260-F419 HydrophobicContact CD1-CB 4.02Å; L260-L421 HydrophobicContact CD1-CD1 4.02Å; L260-L421 HydrophobicContact CD1-CD2 4.27Å; L260-L421 HydrophobicContact CD1-CG 4.28Å
261K91.7Very high87.6Confident122 Ų12244.3 Ų44.353%0.5321%0.214SC..Hα-helixtrans-58.6-37.7-179.3-177.3177.3178.7179.50112.5L257 R258L257-K261 WeakPolarHBondContact O-CB 3.25Å; L257-K261 PolarHBondContact O-N 3.01Å; R258-K261 PolarHBondContact O-N 3.33Å
262F90.1Very high86.1Confident2 Ų242.8 Ų42.81%0.00921%0.212CC..Hα-helixtrans-107.8-7.9-173.2-61.3-67000114.5L217 E225 R258 Q259 L260 K264 S265 F266L217-F262 HydrophobicContact CD1-CD1 4.39Å; L217-F262 HydrophobicContact CD1-CE1 4.25Å; E225-F262 HydrophobicContact CB-CD1 4.24Å; E225-F262 HydrophobicContact CB-CD2 4.11Å; E225-F262 HydrophobicContact CB-CE1 4.05Å; E225-F262 HydrophobicContact CB-CE2 3.93Å; E225-F262 HydrophobicContact CB-CG 4.28Å; E225-F262 HydrophobicContact CB-CZ 3.89Å; E225-F262 HydrophobicContact CG-CD1 4.24Å; E225-F262 HydrophobicContact CG-CE1 3.63Å; E225-F262 HydrophobicContact CG-CE2 4.11Å; E225-F262 HydrophobicContact CG-CZ 3.55Å; E225-F262 WeakPolarHBondContact OE2-CE2 3.34Å; E225-F262 WeakPolarHBondContact OE2-CZ 3.17Å; R258-F262 WeakPolarHBondContact O-CD2 3.03Å; R258-F262 PolarHBondContact O-N 3.49Å; R258-F262 VanDerWaalsContact O-N 3.1Å; Q259-F262 PolarHBondContact O-N 3.48Å; L260-F262 PolarHBondContact O-N 3.47Å; F262-K264 PolarHBondContact O-N 3.27Å; F262-S265 WeakPolarHBondContact O-CB 3.34Å; F262-S265 PolarHBondContact O-N 3.08Å; F262-S265 VanDerWaalsContact O-N 3.1Å; F262-F266 HydrophobicContact CB-CD2 3.74Å; F262-F266 HydrophobicContact CB-CE2 3.27Å; F262-F266 HydrophobicContact CB-CZ 3.86Å; F262-F266 HydrophobicContact CG-CE2 4.3Å; F262-F266 WeakPolarHBondContact O-CD2 3.18Å; F262-F266 WeakPolarHBondContact O-CG 3.3Å; F262-F266 PolarHBondContact O-N 3.03Å
263C88Confident84.2Confident18 Ų1845.6 Ų45.612%0.12223%0.23CC..Hα-helixtrans-55.7-45.8-175.565.10000113.2Q259 L260 S265 F266 K267 F308Q259-C263 WeakPolarHBondContact O-CA 3.48Å; Q259-C263 WeakPolarHBondContact O-CB 3.3Å; Q259-C263 PolarHBondContact O-N 3Å; L260-C263 PolarHBondContact O-SG 3.48Å; C263-S265 VanDerWaalsContact C-N 3.32Å; C263-S265 PolarHBondContact O-N 3Å; C263-F266 PolarHBondContact O-N 3.29Å; C263-K267 WeakPolarHBondContact O-CB 3.35Å; C263-K267 PolarHBondContact O-N 2.85Å; C263-F308 HydrophobicContact CB-CB 3.66Å; C263-F308 HydrophobicContact CB-CD1 3.99Å; C263-F308 HydrophobicContact CB-CD2 3.64Å; C263-F308 HydrophobicContact CB-CE2 4.26Å; C263-F308 HydrophobicContact CB-CG 3.48Å; C263-F308 VanDerWaalsContact CB-CG 3.48Å
264K84.9Confident82.2Confident122 Ų12248.3 Ų48.353%0.5324%0.241SC..Hα-helixtrans-62.6-39.5179.3-66.3-175.5178.5-178.30111.5F262 K268 E350F262-K264 PolarHBondContact O-N 3.27Å; K264-K268 WeakPolarHBondContact O-CB 3.31Å; K264-K268 PolarHBondContact O-N 3.39Å; K264-E350 IonicContact NZ-OE1 2.85Å; K264-E350 PolarHBondContact NZ-OE1 3.45Å
265S83.7Confident80.4Confident15 Ų1545.5 Ų45.511%0.10523%0.227CC..Hα-helixtrans-67.7-42.9176.5-58.30000112.3N213 F262 C263 K268 A269N213-S265 PolarHBondContact ND2-OG 3.16Å; N213-S265 VanDerWaalsContact ND2-OG 3.09Å; F262-S265 WeakPolarHBondContact O-CB 3.34Å; F262-S265 PolarHBondContact O-N 3.08Å; F262-S265 VanDerWaalsContact O-N 3.1Å; C263-S265 VanDerWaalsContact C-N 3.32Å; C263-S265 PolarHBondContact O-N 3Å; S265-K268 PolarHBondContact O-N 3.3Å; S265-A269 WeakPolarHBondContact O-CB 3.07Å; S265-A269 PolarHBondContact O-N 3.44Å
266F82.2Confident78.5Confident22 Ų2248.8 Ų48.810%0.09624%0.244CC..Hα-helixtrans-64.9-44.5175-66.6-49.9000111.8L222 H226 F262 C263 K268 A269 V270 F305L222-F266 HydrophobicContact CB-CD1 4.33Å; L222-F266 HydrophobicContact CB-CE1 3.9Å; L222-F266 HydrophobicContact CD2-CE1 4.42Å; L222-F266 VanDerWaalsContact O-CE1 3.32Å; L222-F266 WeakPolarHBondContact O-CE1 3.2Å; H226-F266 HydrophobicContact CB-CE1 3.96Å; H226-F266 HydrophobicContact CB-CZ 3.74Å; F262-F266 HydrophobicContact CB-CD2 3.74Å; F262-F266 HydrophobicContact CB-CE2 3.27Å; F262-F266 HydrophobicContact CB-CZ 3.86Å; F262-F266 HydrophobicContact CG-CE2 4.3Å; F262-F266 WeakPolarHBondContact O-CD2 3.18Å; F262-F266 WeakPolarHBondContact O-CG 3.3Å; F262-F266 PolarHBondContact O-N 3.03Å; C263-F266 PolarHBondContact O-N 3.29Å; F266-K268 VanDerWaalsContact C-N 3.33Å; F266-K268 PolarHBondContact O-N 3.13Å; F266-A269 WeakPolarHBondContact O-CB 3.33Å; F266-A269 PolarHBondContact O-N 2.88Å; F266-A269 VanDerWaalsContact O-N 3.15Å; F266-V270 WeakPolarHBondContact O-CG2 3.24Å; F266-V270 PolarHBondContact O-N 3.08Å; F266-F305 HydrophobicContact CB-CB 4.49Å; F266-F305 HydrophobicContact CD1-CB 4.34Å; F266-F305 AromaticContact CD1-CD1 3.53Å; F266-F305 HydrophobicContact CD1-CD1 3.53Å; F266-F305 HydrophobicContact CD1-CD2 4.12Å; F266-F305 AromaticContact CD1-CE1 3.76Å; F266-F305 HydrophobicContact CD1-CE1 3.76Å; F266-F305 HydrophobicContact CD1-CE2 4.3Å; F266-F305 AromaticContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CZ 4.14Å; F266-F305 AromaticContact CE1-CD1 3.6Å; F266-F305 HydrophobicContact CE1-CD1 3.6Å; F266-F305 AromaticContact CE1-CE1 3.58Å; F266-F305 HydrophobicContact CE1-CE1 3.58Å; F266-F305 HydrophobicContact CE1-CG 4.28Å; F266-F305 HydrophobicContact CE1-CZ 4.24Å; F266-F305 HydrophobicContact CG-CD1 4.44Å; F266-F305 HydrophobicContact CG-CG 4.38Å
267K77.9Confident76.8Confident82 Ų8252.7 Ų52.736%0.35726%0.262SS..Hα-helixtrans-58.8-43.3176.5-169.6172.9-178.91770111.3C263 V270 N271 E354C263-K267 WeakPolarHBondContact O-CB 3.35Å; C263-K267 PolarHBondContact O-N 2.85Å; K267-V270 PolarHBondContact O-N 3.4Å; K267-N271 WeakPolarHBondContact O-CB 3.38Å; K267-N271 PolarHBondContact O-N 2.87Å; K267-E354 IonicContact NZ-OE1 3.35Å; K267-E354 PolarHBondContact NZ-OE1 3.28Å; K267-E354 IonicContact NZ-OE2 2.69Å; K267-E354 PolarHBondContact NZ-OE2 3.23Å
268K76.4Confident75.1Confident88 Ų8851.1 Ų51.138%0.38325%0.254SS..Hα-helixtrans-64.3-40175.1-171.7173.3-177.6172.30112.6K264 S265 F266 S272K264-K268 WeakPolarHBondContact O-CB 3.31Å; K264-K268 PolarHBondContact O-N 3.39Å; S265-K268 PolarHBondContact O-N 3.3Å; F266-K268 VanDerWaalsContact C-N 3.33Å; F266-K268 PolarHBondContact O-N 3.13Å; K268-S272 PolarHBondContact O-N 3.36Å
269A71.2Confident73.4Confident8 Ų851.7 Ų51.77%0.06626%0.258CS..Hα-helixtrans-65-43.6177.200000112.1M219 L222 S265 F266 S272 F305M219-A269 HydrophobicContact CE-CB 3.86Å; M219-A269 HydrophobicContact SD-CB 4.29Å; L222-A269 HydrophobicContact CD1-CB 4.15Å; S265-A269 WeakPolarHBondContact O-CB 3.07Å; S265-A269 PolarHBondContact O-N 3.44Å; F266-A269 WeakPolarHBondContact O-CB 3.33Å; F266-A269 PolarHBondContact O-N 2.88Å; F266-A269 VanDerWaalsContact O-N 3.15Å; A269-S272 PolarHBondContact O-OG 3.35Å; A269-F305 HydrophobicContact CB-CE2 4.16Å
270V67.2Low71.9Confident22 Ų2254.6 Ų54.613%0.13327%0.274CS..Hα-helixtrans-71.3-40.2178.71760000111.9F266 K267 S272 C275 F305F266-V270 WeakPolarHBondContact O-CG2 3.24Å; F266-V270 PolarHBondContact O-N 3.08Å; K267-V270 PolarHBondContact O-N 3.4Å; V270-S272 VanDerWaalsContact C-N 3.26Å; V270-S272 PolarHBondContact O-N 3.37Å; V270-C275 WeakPolarHBondContact O-CB 3.45Å; V270-C275 PolarHBondContact O-SG 2.88Å; V270-F305 HydrophobicContact CG2-CB 4.27Å; V270-F305 HydrophobicContact CG2-CD2 3.9Å
271N65.6Low70.3Confident79 Ų7957.3 Ų57.342%0.42228%0.282SS..THydrogen-bonded Turntrans-85.614-177.5-68.4-16.5000114.2K267K267-N271 WeakPolarHBondContact O-CB 3.38Å; K267-N271 PolarHBondContact O-N 2.87Å
272S66.1Low68.9Low27 Ų2751.9 Ų51.919%0.18926%0.259CS..  trans-56.4137.8172.564.70000109.6K268 A269 V270 F274 C275 L276K268-S272 PolarHBondContact O-N 3.36Å; A269-S272 PolarHBondContact O-OG 3.35Å; V270-S272 VanDerWaalsContact C-N 3.26Å; V270-S272 PolarHBondContact O-N 3.37Å; S272-F274 PolarHBondContact O-N 3.4Å; S272-C275 WeakPolarHBondContact O-CB 3.36Å; S272-C275 PolarHBondContact O-N 3.28Å; S272-C275 WeakPolarHBondContact OG-CB 3.28Å; S272-L276 PolarHBondContact O-N 3.48Å
273P56Low67.5Low99 Ų9959.3 Ų59.364%0.64329%0.291SS*.Hα-helixtrans-50.4-32-172-28.232.7000113.5Q277P273-Q277 PolarHBondContact O-N 3.23Å
274F56.5Low66.3Low98 Ų9860.8 Ų60.843%0.4330%0.302SS..Hα-helixtrans-77.5-33.5-178.6-55-70.1000114.5S272 Q277 H300S272-F274 PolarHBondContact O-N 3.4Å; F274-Q277 PolarHBondContact O-N 3.09Å; F274-H300 HydrophobicContact CB-CB 3.5Å; F274-H300 WeakPolarHBondContact CB-ND1 3.46Å; F274-H300 AromaticContact CD1-CD2 3.52Å; F274-H300 AromaticContact CD1-CE1 3.2Å; F274-H300 WeakPolarHBondContact CD1-CE1 3.36Å; F274-H300 AromaticContact CD1-CG 3.87Å; F274-H300 AromaticContact CD1-ND1 3.67Å; F274-H300 AromaticContact CD1-NE2 3.12Å; F274-H300 WeakPolarHBondContact CD1-NE2 3.49Å; F274-H300 AromaticContact CD2-CE1 3.81Å; F274-H300 AromaticContact CD2-ND1 3.78Å; F274-H300 AromaticContact CE1-CE1 3.5Å; F274-H300 VanDerWaalsContact CE1-CE1 3.5Å; F274-H300 WeakPolarHBondContact CE1-CE1 3.46Å; F274-H300 AromaticContact CE1-NE2 3.55Å; F274-H300 HydrophobicContact CG-CB 4.41Å; F274-H300 AromaticContact CG-CD2 3.79Å; F274-H300 AromaticContact CG-CE1 3.36Å; F274-H300 WeakPolarHBondContact CG-CE1 3.48Å; F274-H300 AromaticContact CG-CG 3.64Å; F274-H300 AromaticContact CG-ND1 3.34Å; F274-H300 VanDerWaalsContact CG-ND1 3.34Å; F274-H300 WeakPolarHBondContact CG-ND1 3.27Å; F274-H300 AromaticContact CG-NE2 3.68Å; F274-H300 AromaticContact CZ-CE1 3.93Å
275C57.9Low65.2Low5 Ų556 Ų563%0.03429%0.285CS..Hα-helixtrans-67.1-40.6173.9-168.10000110.3V270 S272 Q277 N278 I279V270-C275 WeakPolarHBondContact O-CB 3.45Å; V270-C275 PolarHBondContact O-SG 2.88Å; S272-C275 WeakPolarHBondContact O-CB 3.36Å; S272-C275 PolarHBondContact O-N 3.28Å; S272-C275 WeakPolarHBondContact OG-CB 3.28Å; C275-Q277 VanDerWaalsContact C-N 3.3Å; C275-Q277 PolarHBondContact O-N 3.41Å; C275-N278 PolarHBondContact O-N 3.37Å; C275-I279 WeakPolarHBondContact O-CG1 3.25Å; C275-I279 PolarHBondContact O-N 2.99Å
276L58Low64Low75 Ų7563.4 Ų63.439%0.39332%0.318SS..Hα-helixtrans-57.8-40.1174.9-71.5168.1000112.4S272 N278 I279 I280S272-L276 PolarHBondContact O-N 3.48Å; L276-N278 PolarHBondContact O-N 3.34Å; L276-I279 PolarHBondContact O-N 3.19Å; L276-I280 WeakPolarHBondContact O-CB 3.37Å; L276-I280 WeakPolarHBondContact O-CD1 3.02Å; L276-I280 WeakPolarHBondContact O-CG1 3.44Å; L276-I280 PolarHBondContact O-N 2.9Å
277Q60.9Low63.1Low90 Ų9065.1 Ų65.142%0.42133%0.332SS..Hα-helixtrans-64.3-38.8179.7-162.1176.230.100112.5P273 F274 C275 R281P273-Q277 PolarHBondContact O-N 3.23Å; F274-Q277 PolarHBondContact O-N 3.09Å; C275-Q277 VanDerWaalsContact C-N 3.3Å; C275-Q277 PolarHBondContact O-N 3.41Å; Q277-R281 WeakPolarHBondContact O-CG 3.46Å; Q277-R281 PolarHBondContact O-N 3.1Å
278N60Low62.1Low1 Ų164 Ų641%0.00533%0.33CS..Hα-helixtrans-70.3-42.4174-80.3-16.7000111.4C275 L276 I280 R281 I282 L296 S297 H300C275-N278 PolarHBondContact O-N 3.37Å; L276-N278 PolarHBondContact O-N 3.34Å; N278-I280 VanDerWaalsContact C-N 3.35Å; N278-I280 PolarHBondContact O-N 3.26Å; N278-R281 PolarHBondContact O-N 2.9Å; N278-I282 WeakPolarHBondContact O-CD1 3.39Å; N278-I282 VanDerWaalsContact O-CG1 3.27Å; N278-I282 WeakPolarHBondContact O-CG1 3.26Å; N278-I282 PolarHBondContact O-N 3.16Å; N278-L296 HydrophobicContact CB-CD2 4.27Å; N278-S297 PolarHBondContact OD1-N 3.32Å; N278-S297 VanDerWaalsContact OD1-N 3.09Å; N278-H300 PolarHBondContact ND2-O 2.87Å
279I60.5Low61.5Low29 Ų2968.9 Ų68.915%0.14935%0.346CS..Hα-helixtrans-58.3-44.4175.5-67.4166.9000111.3C275 L276 R281 I282 K283C275-I279 WeakPolarHBondContact O-CG1 3.25Å; C275-I279 PolarHBondContact O-N 2.99Å; L276-I279 PolarHBondContact O-N 3.19Å; I279-R281 PolarHBondContact O-N 3.48Å; I279-I282 PolarHBondContact O-N 2.86Å; I279-K283 HydrophobicContact CG2-CD 4.13Å; I279-K283 HydrophobicContact CG2-CG 4.34Å; I279-K283 WeakPolarHBondContact O-CG 3.47Å; I279-K283 PolarHBondContact O-N 3.07Å
280I61.9Low61.3Low114 Ų11471.3 Ų71.359%0.58536%0.358SS*.Hα-helixtrans-61.8-43.4177.4-69162.8000111.1L276 N278 I282 K283 S284L276-I280 WeakPolarHBondContact O-CB 3.37Å; L276-I280 WeakPolarHBondContact O-CD1 3.02Å; L276-I280 WeakPolarHBondContact O-CG1 3.44Å; L276-I280 PolarHBondContact O-N 2.9Å; N278-I280 VanDerWaalsContact C-N 3.35Å; N278-I280 PolarHBondContact O-N 3.26Å; I280-I282 VanDerWaalsContact C-N 3.28Å; I280-I282 PolarHBondContact O-N 3.16Å; I280-K283 PolarHBondContact O-N 2.81Å; I280-S284 WeakPolarHBondContact O-CB 3.4Å; I280-S284 PolarHBondContact O-N 3.42Å; I280-S284 VanDerWaalsContact O-N 3.16Å; I280-S284 PolarHBondContact O-OG 2.89Å
281R59.7Low60.9Low85 Ų8570.7 Ų70.732%0.32135%0.354SS..Hα-helixtrans-64.1-34.8177.8-75176.9-175.3-1736.3112.6Q277 N278 I279 S284 R294 K295 L296Q277-R281 WeakPolarHBondContact O-CG 3.46Å; Q277-R281 PolarHBondContact O-N 3.1Å; N278-R281 PolarHBondContact O-N 2.9Å; I279-R281 PolarHBondContact O-N 3.48Å; R281-S284 PolarHBondContact O-OG 3.29Å; R281-R294 PolarHBondContact O-NH1 3.47Å; R281-K295 PolarHBondContact NH1-O 3.14Å; R281-L296 HydrophobicContact CB-CD2 3.96Å
282I61.2Low60.4Low9 Ų971.5 Ų71.55%0.04636%0.355CS..Hα-helixtrans-70.4-51.9175.9-69.4160.4000110.8N23 I24 S27 N278 I279 I280 S284 A285 L291 L296N23-I282 HydrophobicContact CB-CD1 3.73Å; N23-I282 WeakPolarHBondContact O-CD1 3.48Å; I24-I282 HydrophobicContact CG1-CG1 4.43Å; I24-I282 HydrophobicContact CG1-CG2 4.39Å; I24-I282 HydrophobicContact CG2-CG2 4.38Å; S27-I282 WeakPolarHBondContact OG-CG2 3.17Å; N278-I282 WeakPolarHBondContact O-CD1 3.39Å; N278-I282 VanDerWaalsContact O-CG1 3.27Å; N278-I282 WeakPolarHBondContact O-CG1 3.26Å; N278-I282 PolarHBondContact O-N 3.16Å; I279-I282 PolarHBondContact O-N 2.86Å; I280-I282 VanDerWaalsContact C-N 3.28Å; I280-I282 PolarHBondContact O-N 3.16Å; I282-S284 PolarHBondContact O-N 3.46Å; I282-S284 VanDerWaalsContact O-N 3.08Å; I282-A285 WeakPolarHBondContact O-CB 3.42Å; I282-A285 PolarHBondContact O-N 3.05Å; I282-L291 HydrophobicContact CB-CD1 4.27Å; I282-L291 HydrophobicContact CG1-CD1 4.33Å; I282-L291 HydrophobicContact CG1-CD2 4.28Å; I282-L291 HydrophobicContact CG2-CD1 3.82Å; I282-L296 HydrophobicContact CG1-CD1 4.48Å; I282-L296 HydrophobicContact CG1-CD2 4.15Å
283K60.7Low60.2Low157 Ų15776 Ų7668%0.68338%0.377SS*.Hα-helixtrans-59-24.1-179.6-75.3-173.6175.8-173.50113.4I279 I280I279-K283 HydrophobicContact CG2-CD 4.13Å; I279-K283 HydrophobicContact CG2-CG 4.34Å; I279-K283 WeakPolarHBondContact O-CG 3.47Å; I279-K283 PolarHBondContact O-N 3.07Å; I280-K283 PolarHBondContact O-N 2.81Å
284S63.6Low60.5Low50 Ų5075 Ų7535%0.3536%0.36SS..THydrogen-bonded Turntrans-94.35.8178.9540000114.6I280 R281 I282 R294I280-S284 WeakPolarHBondContact O-CB 3.4Å; I280-S284 PolarHBondContact O-N 3.42Å; I280-S284 VanDerWaalsContact O-N 3.16Å; I280-S284 PolarHBondContact O-OG 2.89Å; R281-S284 PolarHBondContact O-OG 3.29Å; I282-S284 PolarHBondContact O-N 3.46Å; I282-S284 VanDerWaalsContact O-N 3.08Å; S284-R294 PolarHBondContact O-NH1 3.09Å; S284-R294 PolarHBondContact O-NH2 3.2Å; S284-R294 PolarHBondContact OG-NH1 3.16Å
285A60.8Low60.5Low22 Ų2279 Ų7918%0.18238%0.378CS..  trans-87.1136174.500000110.8I282 D290 L291I282-A285 WeakPolarHBondContact O-CB 3.42Å; I282-A285 PolarHBondContact O-N 3.05Å; A285-D290 HydrophobicContact CB-CB 4.35Å; A285-L291 HydrophobicContact CB-CB 3.8Å; A285-L291 HydrophobicContact CB-CD1 3.67Å; A285-L291 HydrophobicContact CB-CG 3.73Å
286H60.2Low60.4Low170 Ų17079.2 Ų79.279%0.78738%0.378SS*.SBendtrans-96.8-9.2-176-61.2-70.5000113.7D290H286-D290 PolarHBondContact N-OD2 3.48Å
287S62.5Low60.1Low58 Ų5877.2 Ų77.241%0.40637%0.371SS..SBendtrans-153162.5174.969.80000111.2R289 D290 L291S287-R289 PolarHBondContact O-N 3.27Å; S287-D290 WeakPolarHBondContact O-CB 3.38Å; S287-D290 PolarHBondContact O-N 3.42Å; S287-D290 WeakPolarHBondContact OG-CB 3.34Å; S287-D290 PolarHBondContact OG-N 2.77Å; S287-L291 PolarHBondContact O-N 3.29Å; S287-L291 VanDerWaalsContact O-N 3.1Å
288L57.7Low59.6Low58 Ų5878.9 Ų78.930%0.30438%0.377SS..Hα-helixtrans-56.6-40.3172.3-171.570000110.8L21 I24 L37 D290 L291 E292L21-L288 HydrophobicContact CD2-CD1 3.95Å; I24-L288 HydrophobicContact CD1-CD1 4.32Å; L37-L288 HydrophobicContact CD1-CD1 3.79Å; L288-D290 PolarHBondContact O-N 2.92Å; L288-L291 PolarHBondContact O-N 3.46Å; L288-L291 VanDerWaalsContact O-N 3.12Å; L288-E292 VanDerWaalsContact O-CG 3.31Å; L288-E292 WeakPolarHBondContact O-CG 3.34Å; L288-E292 PolarHBondContact O-N 2.95Å
289R64.1Low58.9Low190 Ų19087.2 Ų87.272%0.71741%0.408SS*.Hα-helixtrans-65.8-37.8178.9-155.5180-84-175.4-5.7112.1S287 L291 N293S287-R289 PolarHBondContact O-N 3.27Å; R289-L291 VanDerWaalsContact C-N 3.27Å; R289-L291 PolarHBondContact O-N 2.92Å; R289-N293 WeakPolarHBondContact O-CB 3.48Å; R289-N293 PolarHBondContact O-N 3.04Å; R289-N293 VanDerWaalsContact O-N 3.1Å; R289-N293 PolarHBondContact O-ND2 2.76Å; R289-N293 VanDerWaalsContact O-ND2 3.09Å
290D65.4Low58.5Low60 Ų6087.5 Ų87.532%0.32141%0.409SS..Hα-helixtrans-61.4-38.5171.9-104.3-0.1000112A285 H286 S287 L288 N293 R294A285-D290 HydrophobicContact CB-CB 4.35Å; H286-D290 PolarHBondContact N-OD2 3.48Å; S287-D290 WeakPolarHBondContact O-CB 3.38Å; S287-D290 PolarHBondContact O-N 3.42Å; S287-D290 WeakPolarHBondContact OG-CB 3.34Å; S287-D290 PolarHBondContact OG-N 2.77Å; L288-D290 PolarHBondContact O-N 2.92Å; D290-N293 PolarHBondContact O-N 2.73Å; D290-R294 VanDerWaalsContact O-CG 3.28Å; D290-R294 WeakPolarHBondContact O-CG 3.49Å; D290-R294 PolarHBondContact O-N 2.97Å
291L59.2Low57.9Low9 Ų983.1 Ų83.15%0.04739%0.388CS..Hα-helixtrans-77.7-40.4-176.3-147.4158.7000111.5I24 I282 A285 S287 L288 R289 N293 R294 L296I24-L291 HydrophobicContact CB-CD1 4.5Å; I24-L291 HydrophobicContact CD1-CB 4.32Å; I24-L291 HydrophobicContact CD1-CD1 3.71Å; I24-L291 HydrophobicContact CD1-CD2 3.28Å; I24-L291 HydrophobicContact CD1-CG 3.93Å; I24-L291 HydrophobicContact CG1-CD1 3.52Å; I24-L291 HydrophobicContact CG1-CD2 3.39Å; I24-L291 HydrophobicContact CG1-CG 4.05Å; I24-L291 HydrophobicContact CG2-CD1 4.17Å; I282-L291 HydrophobicContact CB-CD1 4.27Å; I282-L291 HydrophobicContact CG1-CD1 4.33Å; I282-L291 HydrophobicContact CG1-CD2 4.28Å; I282-L291 HydrophobicContact CG2-CD1 3.82Å; A285-L291 HydrophobicContact CB-CB 3.8Å; A285-L291 HydrophobicContact CB-CD1 3.67Å; A285-L291 HydrophobicContact CB-CG 3.73Å; S287-L291 PolarHBondContact O-N 3.29Å; S287-L291 VanDerWaalsContact O-N 3.1Å; L288-L291 PolarHBondContact O-N 3.46Å; L288-L291 VanDerWaalsContact O-N 3.12Å; R289-L291 VanDerWaalsContact C-N 3.27Å; R289-L291 PolarHBondContact O-N 2.92Å; L291-N293 PolarHBondContact O-N 2.71Å; L291-R294 PolarHBondContact O-N 3.48Å; L291-L296 HydrophobicContact CD2-CD1 4.31Å
292E56.2Low57.5Low95 Ų9579.5 Ų79.544%0.44438%0.375SS..Hα-helixtrans-55.9-38.8168.9-73.2171.6165.500111.7L288 R294L288-E292 VanDerWaalsContact O-CG 3.31Å; L288-E292 WeakPolarHBondContact O-CG 3.34Å; L288-E292 PolarHBondContact O-N 2.95Å; E292-R294 VanDerWaalsContact C-N 3.33Å; E292-R294 PolarHBondContact O-N 3.48Å
293N60.8Low57.4Low123 Ų12380.8 Ų80.866%0.65838%0.38SS*.Hα-helixtrans-74.2-20.8177.6-72.9-27.3000113.7R289 D290 L291 K295R289-N293 WeakPolarHBondContact O-CB 3.48Å; R289-N293 PolarHBondContact O-N 3.04Å; R289-N293 VanDerWaalsContact O-N 3.1Å; R289-N293 PolarHBondContact O-ND2 2.76Å; R289-N293 VanDerWaalsContact O-ND2 3.09Å; D290-N293 PolarHBondContact O-N 2.73Å; L291-N293 PolarHBondContact O-N 2.71Å; N293-K295 PolarHBondContact O-N 3.45Å
294R62.6Low57.3Low77 Ų7778.4 Ų78.429%0.29137%0.371SS..SBendtrans-78.9119.1179.5-77.8170.7-175.4-144.23.3109.9Y16 R281 S284 D290 L291 E292 L296Y16-R294 PolarHBondContact OH-O 3.03Å; Y16-R294 VanDerWaalsContact OH-O 3.1Å; R281-R294 PolarHBondContact O-NH1 3.47Å; S284-R294 PolarHBondContact O-NH1 3.09Å; S284-R294 PolarHBondContact O-NH2 3.2Å; S284-R294 PolarHBondContact OG-NH1 3.16Å; D290-R294 VanDerWaalsContact O-CG 3.28Å; D290-R294 WeakPolarHBondContact O-CG 3.49Å; D290-R294 PolarHBondContact O-N 2.97Å; L291-R294 PolarHBondContact O-N 3.48Å; E292-R294 VanDerWaalsContact C-N 3.33Å; E292-R294 PolarHBondContact O-N 3.48Å; R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 2.91Å
295K57.1Low57.5Low183 Ų18376.4 Ų76.480%0.79636%0.356SS*.  trans-68.383.6171.2-66.7-179.5-176.5173.60110.1Y16 R281 N293Y16-K295 VanDerWaalsContact OH-CA 3.23Å; Y16-K295 WeakPolarHBondContact OH-CA 3.22Å; R281-K295 PolarHBondContact NH1-O 3.14Å; N293-K295 PolarHBondContact O-N 3.45Å
296L55.7Low57.7Low8 Ų880.5 Ų80.54%0.04237%0.371CS..  trans-56.5144.8166.9-67.8175.1000109.5Y16 S20 N278 R281 I282 L291 R294 K298Y16-L296 PolarHBondContact OH-N 3.38Å; S20-L296 VanDerWaalsContact OG-CD1 3.28Å; S20-L296 WeakPolarHBondContact OG-CD1 3.36Å; N278-L296 HydrophobicContact CB-CD2 4.27Å; R281-L296 HydrophobicContact CB-CD2 3.96Å; I282-L296 HydrophobicContact CG1-CD1 4.48Å; I282-L296 HydrophobicContact CG1-CD2 4.15Å; L291-L296 HydrophobicContact CD2-CD1 4.31Å; R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 2.91Å; L296-K298 PolarHBondContact O-N 3.45Å; L296-K298 VanDerWaalsContact O-N 3.15Å
297S51.7Low58.2Low33 Ų3376.9 Ų76.923%0.23136%0.361CS..  trans-65.2121.1-173.1-175.10000110.4N278 R299 H300N278-S297 PolarHBondContact OD1-N 3.32Å; N278-S297 VanDerWaalsContact OD1-N 3.09Å; S297-R299 PolarHBondContact O-N 3.26Å; S297-R299 VanDerWaalsContact O-N 3.1Å; S297-R299 PolarHBondContact OG-N 3.21Å; S297-H300 PolarHBondContact O-N 3.22Å; S297-H300 PolarHBondContact OG-CD2 3.19Å
298K50.2Low59.3Low126 Ų12677.3 Ų77.355%0.54836%0.356SS..THydrogen-bonded Turntrans-58-21.6175-66.4-176.2178.1-1770113.5L296L296-K298 PolarHBondContact O-N 3.45Å; L296-K298 VanDerWaalsContact O-N 3.15Å
299R44.9Very low60.9Low176 Ų17677.4 Ų77.466%0.66436%0.356SS*.THydrogen-bonded Turntrans-88.4-11.1-168.2-67.4-177.3178.4175.4-1113.8S297S297-R299 PolarHBondContact O-N 3.26Å; S297-R299 VanDerWaalsContact O-N 3.1Å; S297-R299 PolarHBondContact OG-N 3.21Å
300H52Low62.3Low35 Ų3569 Ų6916%0.16233%0.327CS..  trans-14494-164.6-51.8-64.5000112.8F274 N278 S297F274-H300 HydrophobicContact CB-CB 3.5Å; F274-H300 WeakPolarHBondContact CB-ND1 3.46Å; F274-H300 AromaticContact CD1-CD2 3.52Å; F274-H300 AromaticContact CD1-CE1 3.2Å; F274-H300 WeakPolarHBondContact CD1-CE1 3.36Å; F274-H300 AromaticContact CD1-CG 3.87Å; F274-H300 AromaticContact CD1-ND1 3.67Å; F274-H300 AromaticContact CD1-NE2 3.12Å; F274-H300 WeakPolarHBondContact CD1-NE2 3.49Å; F274-H300 AromaticContact CD2-CE1 3.81Å; F274-H300 AromaticContact CD2-ND1 3.78Å; F274-H300 AromaticContact CE1-CE1 3.5Å; F274-H300 VanDerWaalsContact CE1-CE1 3.5Å; F274-H300 WeakPolarHBondContact CE1-CE1 3.46Å; F274-H300 AromaticContact CE1-NE2 3.55Å; F274-H300 HydrophobicContact CG-CB 4.41Å; F274-H300 AromaticContact CG-CD2 3.79Å; F274-H300 AromaticContact CG-CE1 3.36Å; F274-H300 WeakPolarHBondContact CG-CE1 3.48Å; F274-H300 AromaticContact CG-CG 3.64Å; F274-H300 AromaticContact CG-ND1 3.34Å; F274-H300 VanDerWaalsContact CG-ND1 3.34Å; F274-H300 WeakPolarHBondContact CG-ND1 3.27Å; F274-H300 AromaticContact CG-NE2 3.68Å; F274-H300 AromaticContact CZ-CE1 3.93Å; N278-H300 PolarHBondContact ND2-O 2.87Å; S297-H300 PolarHBondContact O-N 3.22Å; S297-H300 PolarHBondContact OG-CD2 3.19Å
301P49Very low63.7Low22 Ų2266.7 Ų66.714%0.14331%0.314CS..PPolyproline II helixtrans-70.4145.7176.327.9-35.6000114N197 Y303N197-P301 HydrophobicContact CB-CB 4.19Å; N197-P301 HydrophobicContact CB-CG 3.64Å; N197-P301 WeakPolarHBondContact ND2-CB 3.38Å; N197-P301 VanDerWaalsContact ND2-CG 3.29Å; N197-P301 WeakPolarHBondContact ND2-CG 3.48Å; P301-Y303 HydrophobicContact CB-CE2 4.32Å; P301-Y303 HydrophobicContact CG-CE1 4.46Å; P301-Y303 HydrophobicContact CG-CE2 3.66Å; P301-Y303 WeakPolarHBondContact CG-OH 3.45Å
302C52.4Low65.4Low8 Ų870.3 Ų70.35%0.05433%0.331CS..PPolyproline II helixtrans-88123.6162.6-54.30000107.6N23N23-C302 HydrophobicContact CB-CB 4.31Å; N23-C302 WeakPolarHBondContact OD1-CB 3.39Å; N23-C302 PolarHBondContact OD1-N 2.94Å; N23-C302 PolarHBondContact OD1-O 2.94Å
303Y57.9Low67.4Low37 Ų3766 Ų6615%0.14531%0.31CS..PPolyproline II helixtrans-90.4129.6172.8-63.3-83.9000108.9D193 T194 M219 M223 P301 F305D193-Y303 HydrophobicContact CB-CD1 3.81Å; D193-Y303 HydrophobicContact CB-CE1 3.87Å; T194-Y303 HydrophobicContact CG2-CE1 3.96Å; M219-Y303 HydrophobicContact CE-CD2 3.26Å; M219-Y303 HydrophobicContact CE-CE2 3.32Å; M219-Y303 HydrophobicContact CE-CG 4.06Å; M219-Y303 HydrophobicContact CG-CD1 4.11Å; M219-Y303 HydrophobicContact CG-CD2 4.11Å; M219-Y303 HydrophobicContact CG-CE1 3.79Å; M219-Y303 HydrophobicContact CG-CE2 3.79Å; M219-Y303 HydrophobicContact CG-CG 4.26Å; M219-Y303 HydrophobicContact SD-CD1 4.2Å; M219-Y303 HydrophobicContact SD-CD2 3.64Å; M219-Y303 HydrophobicContact SD-CE1 4.42Å; M219-Y303 HydrophobicContact SD-CE2 3.89Å; M219-Y303 HydrophobicContact SD-CG 3.79Å; M223-Y303 HydrophobicContact SD-CD1 3.98Å; M223-Y303 HydrophobicContact SD-CE1 4.19Å; P301-Y303 HydrophobicContact CB-CE2 4.32Å; P301-Y303 HydrophobicContact CG-CE1 4.46Å; P301-Y303 HydrophobicContact CG-CE2 3.66Å; P301-Y303 WeakPolarHBondContact CG-OH 3.45Å; Y303-F305 HydrophobicContact CG-CE2 4.37Å; Y303-F305 PolarHBondContact O-N 3.4Å; Y303-F305 VanDerWaalsContact O-N 3.09Å
304H60Low69.1Low107 Ų10760.1 Ų60.150%0.49528%0.279SS..  trans-78.691.5176.5-16970.6000110.9V26V26-H304 HydrophobicContact CG2-CB 3.53Å; V26-H304 WeakPolarHBondContact CG2-ND1 3.41Å
305F66.3Low70.8Confident8 Ų860.2 Ų60.24%0.03529%0.288CS..PPolyproline II helixtrans-100.7135.4161.8-60-68.5000108.2M219 L222 M223 H226 F266 A269 V270 Y303 T307M219-F305 HydrophobicContact SD-CE2 3.8Å; M219-F305 HydrophobicContact SD-CZ 3.82Å; L222-F305 HydrophobicContact CB-CZ 4.29Å; M223-F305 HydrophobicContact CG-CE1 3.97Å; M223-F305 HydrophobicContact CG-CZ 3.8Å; H226-F305 HydrophobicContact CB-CD1 4.04Å; H226-F305 HydrophobicContact CB-CE1 4.08Å; H226-F305 AromaticContact CD2-CD1 3.93Å; H226-F305 AromaticContact CG-CD1 3.87Å; F266-F305 HydrophobicContact CB-CB 4.49Å; F266-F305 HydrophobicContact CD1-CB 4.34Å; F266-F305 AromaticContact CD1-CD1 3.53Å; F266-F305 HydrophobicContact CD1-CD1 3.53Å; F266-F305 HydrophobicContact CD1-CD2 4.12Å; F266-F305 AromaticContact CD1-CE1 3.76Å; F266-F305 HydrophobicContact CD1-CE1 3.76Å; F266-F305 HydrophobicContact CD1-CE2 4.3Å; F266-F305 AromaticContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CZ 4.14Å; F266-F305 AromaticContact CE1-CD1 3.6Å; F266-F305 HydrophobicContact CE1-CD1 3.6Å; F266-F305 AromaticContact CE1-CE1 3.58Å; F266-F305 HydrophobicContact CE1-CE1 3.58Å; F266-F305 HydrophobicContact CE1-CG 4.28Å; F266-F305 HydrophobicContact CE1-CZ 4.24Å; F266-F305 HydrophobicContact CG-CD1 4.44Å; F266-F305 HydrophobicContact CG-CG 4.38Å; A269-F305 HydrophobicContact CB-CE2 4.16Å; V270-F305 HydrophobicContact CG2-CB 4.27Å; V270-F305 HydrophobicContact CG2-CD2 3.9Å; Y303-F305 HydrophobicContact CG-CE2 4.37Å; Y303-F305 PolarHBondContact O-N 3.4Å; Y303-F305 VanDerWaalsContact O-N 3.09Å; F305-T307 PolarHBondContact O-N 3.42Å; F305-T307 VanDerWaalsContact O-N 3.13Å
306Q66.5Low72.7Confident107 Ų10754.8 Ų54.850%0.527%0.268SS..PPolyproline II helixtrans-59.6120.7165.7-175.5175.1-3.300106.6F308Q306-F308 PolarHBondContact O-N 2.89Å
307T70.3Confident74.7Confident95 Ų9554.4 Ų54.458%0.58327%0.266SS*.PPolyproline II helixtrans-64.5133.2179.846.10000108.7F305 D309F305-T307 PolarHBondContact O-N 3.42Å; F305-T307 VanDerWaalsContact O-N 3.13Å; T307-D309 PolarHBondContact O-N 3.28Å; T307-D309 VanDerWaalsContact O-N 3.12Å
308F86.2Confident76.9Confident67 Ų6753.8 Ų53.829%0.29426%0.261SS..  trans-61.9114.7172.6177.6-96.7000108.8Q259 L260 C263 Q306 P310 W313 V347Q259-F308 HydrophobicContact CB-CD2 4.28Å; Q259-F308 HydrophobicContact CB-CE2 4.29Å; L260-F308 HydrophobicContact CD2-CE2 3.84Å; L260-F308 HydrophobicContact CD2-CZ 3.51Å; C263-F308 HydrophobicContact CB-CB 3.66Å; C263-F308 HydrophobicContact CB-CD1 3.99Å; C263-F308 HydrophobicContact CB-CD2 3.64Å; C263-F308 HydrophobicContact CB-CE2 4.26Å; C263-F308 HydrophobicContact CB-CG 3.48Å; C263-F308 VanDerWaalsContact CB-CG 3.48Å; Q306-F308 PolarHBondContact O-N 2.89Å; F308-P310 HydrophobicContact CD1-CG 4.09Å; F308-P310 HydrophobicContact CE1-CB 4.18Å; F308-P310 HydrophobicContact CE1-CG 3.85Å; F308-P310 WeakPolarHBondContact O-CD 3.38Å; F308-W313 HydrophobicContact CE2-CB 3.99Å; F308-W313 AromaticContact CE2-CD1 3.44Å; F308-W313 VanDerWaalsContact CE2-CD1 3.44Å; F308-W313 AromaticContact CE2-CG 3.74Å; F308-W313 HydrophobicContact CE2-CG 3.74Å; F308-W313 HydrophobicContact CZ-CB 3.98Å; F308-W313 AromaticContact CZ-CG 3.88Å; F308-W313 HydrophobicContact CZ-CG 3.88Å; F308-V347 HydrophobicContact CE1-CG1 4.23Å; F308-V347 HydrophobicContact CZ-CG1 3.97Å
309D89.8Confident79.1Confident59 Ų5950.5 Ų50.532%0.31626%0.257SS..  trans-99.3110.5172.1-176.9-14.2000108.7T307 I311 E312 W313T307-D309 PolarHBondContact O-N 3.28Å; T307-D309 VanDerWaalsContact O-N 3.12Å; D309-I311 PolarHBondContact O-N 3.06Å; D309-I311 WeakPolarHBondContact OD1-CB 3.15Å; D309-I311 PolarHBondContact OD1-N 3.12Å; D309-E312 HydrophobicContact CB-CB 3.79Å; D309-E312 PolarHBondContact O-N 2.89Å; D309-E312 PolarHBondContact OD1-N 3.18Å; D309-W313 WeakPolarHBondContact O-CB 3.41Å; D309-W313 PolarHBondContact O-N 3.31Å
310P94.4Very high81.6Confident14 Ų1442.6 Ų42.69%0.09123%0.228CC..Hα-helixtrans-58.2-32.5177.6-23.333.2000113.8F308 A314 V347 A351 I357F308-P310 HydrophobicContact CD1-CG 4.09Å; F308-P310 HydrophobicContact CE1-CB 4.18Å; F308-P310 HydrophobicContact CE1-CG 3.85Å; F308-P310 WeakPolarHBondContact O-CD 3.38Å; P310-A314 VanDerWaalsContact O-CB 3.29Å; P310-A314 WeakPolarHBondContact O-CB 3.4Å; P310-A314 PolarHBondContact O-N 3.33Å; P310-V347 HydrophobicContact CB-CG1 3.89Å; P310-A351 HydrophobicContact CB-CB 3.55Å; P310-A351 HydrophobicContact CG-CB 3.64Å; P310-I357 HydrophobicContact CB-CD1 4.25Å; P310-I357 HydrophobicContact CG-CD1 3.96Å
311I95.7Very high83.8Confident11 Ų1141.1 Ų41.16%0.05622%0.221CC..Hα-helixtrans-74.2-48.5-179.3-58.2-63.6000109.7D309 W313 A314 T315 V348 I357 Q361 T365D309-I311 PolarHBondContact O-N 3.06Å; D309-I311 WeakPolarHBondContact OD1-CB 3.15Å; D309-I311 PolarHBondContact OD1-N 3.12Å; I311-W313 VanDerWaalsContact C-N 3.29Å; I311-W313 PolarHBondContact O-N 3.04Å; I311-A314 PolarHBondContact O-N 3.34Å; I311-T315 PolarHBondContact O-N 2.9Å; I311-T315 PolarHBondContact O-OG1 3.49Å; I311-T315 VanDerWaalsContact O-OG1 3.09Å; I311-V348 HydrophobicContact CD1-CG1 4.13Å; I311-V348 HydrophobicContact CD1-CG2 4.35Å; I311-I357 HydrophobicContact CD1-CD1 4.47Å; I311-I357 HydrophobicContact CD1-CG2 4.4Å; I311-I357 HydrophobicContact CG1-CD1 3.9Å; I311-I357 HydrophobicContact CG1-CG2 4.04Å; I311-Q361 HydrophobicContact CD1-CG 4.48Å; I311-Q361 HydrophobicContact CG1-CG 4.29Å; I311-Q361 HydrophobicContact CG2-CG 4.39Å; I311-T365 HydrophobicContact CD1-CG2 4.24Å; I311-T365 HydrophobicContact CG2-CG2 4.38Å
312E94.3Very high86Confident86 Ų8644.4 Ų44.440%0.40224%0.238SC..Hα-helixtrans-58.5-43.3174.7-167-168.216100110.9D309 A314 T315 N316D309-E312 HydrophobicContact CB-CB 3.79Å; D309-E312 PolarHBondContact O-N 2.89Å; D309-E312 PolarHBondContact OD1-N 3.18Å; E312-A314 PolarHBondContact O-N 3.29Å; E312-T315 PolarHBondContact O-N 3.39Å; E312-N316 WeakPolarHBondContact O-CB 3.19Å; E312-N316 VanDerWaalsContact O-CG 3.28Å; E312-N316 PolarHBondContact O-N 3.43Å; E312-N316 PolarHBondContact O-ND2 3.28Å; E312-N316 VanDerWaalsContact O-ND2 3.15Å
313W96.9Very high88.1Confident3 Ų346.5 Ų46.51%0.01125%0.245CC..Hα-helixtrans-59.7-46.4176.6-169.694.4000111.7L256 Q259 L260 F308 D309 I311 N316 A317 V347 F419L256-W313 HydrophobicContact CB-CZ2 3.86Å; L256-W313 HydrophobicContact CD2-CD2 4.24Å; L256-W313 HydrophobicContact CD2-CG 4.1Å; L256-W313 HydrophobicContact CD2-CZ2 4.47Å; L256-W313 PolarHBondContact O-NE1 2.96Å; Q259-W313 VanDerWaalsContact OE1-CD1 3.3Å; L260-W313 HydrophobicContact CD1-CH2 3.76Å; L260-W313 HydrophobicContact CD1-CZ2 3.26Å; L260-W313 HydrophobicContact CD2-CD2 4.39Å; L260-W313 HydrophobicContact CD2-CZ2 4.32Å; L260-W313 HydrophobicContact CG-CD2 4.5Å; L260-W313 HydrophobicContact CG-CZ2 3.69Å; F308-W313 HydrophobicContact CE2-CB 3.99Å; F308-W313 AromaticContact CE2-CD1 3.44Å; F308-W313 VanDerWaalsContact CE2-CD1 3.44Å; F308-W313 AromaticContact CE2-CG 3.74Å; F308-W313 HydrophobicContact CE2-CG 3.74Å; F308-W313 HydrophobicContact CZ-CB 3.98Å; F308-W313 AromaticContact CZ-CG 3.88Å; F308-W313 HydrophobicContact CZ-CG 3.88Å; D309-W313 WeakPolarHBondContact O-CB 3.41Å; D309-W313 PolarHBondContact O-N 3.31Å; I311-W313 VanDerWaalsContact C-N 3.29Å; I311-W313 PolarHBondContact O-N 3.04Å; W313-N316 PolarHBondContact O-N 3.45Å; W313-A317 HydrophobicContact CE3-CB 4.12Å; W313-A317 HydrophobicContact CH2-CB 4.09Å; W313-A317 HydrophobicContact CZ3-CB 3.73Å; W313-A317 WeakPolarHBondContact O-CB 3.36Å; W313-A317 PolarHBondContact O-N 3.29Å; W313-V347 HydrophobicContact CD2-CG1 4.39Å; W313-V347 HydrophobicContact CD2-CG2 4.41Å; W313-V347 HydrophobicContact CE3-CB 3.92Å; W313-V347 HydrophobicContact CE3-CG1 3.91Å; W313-V347 HydrophobicContact CE3-CG2 3.74Å; W313-V347 HydrophobicContact CH2-CG2 4.2Å; W313-V347 HydrophobicContact CZ3-CB 4.12Å; W313-V347 HydrophobicContact CZ3-CG2 3.63Å; W313-F419 HydrophobicContact CH2-CD1 4.31Å; W313-F419 HydrophobicContact CH2-CD2 4.15Å; W313-F419 HydrophobicContact CH2-CE2 4.4Å; W313-F419 HydrophobicContact CH2-CG 4.08Å; W313-F419 AromaticContact CZ2-CD1 3.96Å; W313-F419 HydrophobicContact CZ2-CD1 3.96Å; W313-F419 HydrophobicContact CZ2-CE1 4.26Å; W313-F419 HydrophobicContact CZ2-CG 4.15Å
314A97.9Very high89.9Confident0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-64.2-42.2178.400000112.1P310 I311 E312 N316 A317 V318 A344 V348 T365 I369P310-A314 VanDerWaalsContact O-CB 3.29Å; P310-A314 WeakPolarHBondContact O-CB 3.4Å; P310-A314 PolarHBondContact O-N 3.33Å; I311-A314 PolarHBondContact O-N 3.34Å; E312-A314 PolarHBondContact O-N 3.29Å; A314-N316 VanDerWaalsContact C-N 3.33Å; A314-N316 PolarHBondContact O-N 3.03Å; A314-A317 PolarHBondContact O-N 3.49Å; A314-V318 VanDerWaalsContact O-CG2 3.32Å; A314-V318 WeakPolarHBondContact O-CG2 3.45Å; A314-V318 PolarHBondContact O-N 3.03Å; A314-A344 HydrophobicContact CB-CB 4.01Å; A314-V348 HydrophobicContact CB-CG2 3.38Å; A314-T365 HydrophobicContact CB-CG2 4.38Å; A314-I369 HydrophobicContact CB-CD1 4.38Å
315T97.4Very high91.6Very high80 Ų8041 Ų4149%0.49122%0.223SC..Hα-helixtrans-60.6-42.1174.4-57.90000111.7I311 E312 V318 A319I311-T315 PolarHBondContact O-N 2.9Å; I311-T315 PolarHBondContact O-OG1 3.49Å; I311-T315 VanDerWaalsContact O-OG1 3.09Å; E312-T315 PolarHBondContact O-N 3.39Å; T315-V318 PolarHBondContact O-N 3.1Å; T315-A319 PolarHBondContact O-N 3.28Å
316N96.9Very high92.9Very high68 Ų6844 Ų4436%0.36425%0.245SC..Hα-helixtrans-66.9-36176-71-33.6000112.4L256 E312 W313 A314 A319 L320L256-N316 HydrophobicContact CD2-CB 3.82Å; E312-N316 WeakPolarHBondContact O-CB 3.19Å; E312-N316 VanDerWaalsContact O-CG 3.28Å; E312-N316 PolarHBondContact O-N 3.43Å; E312-N316 PolarHBondContact O-ND2 3.28Å; E312-N316 VanDerWaalsContact O-ND2 3.15Å; W313-N316 PolarHBondContact O-N 3.45Å; A314-N316 VanDerWaalsContact C-N 3.33Å; A314-N316 PolarHBondContact O-N 3.03Å; N316-A319 PolarHBondContact O-N 3.3Å; N316-L320 PolarHBondContact O-N 2.94Å
317A98.1Very high94.1Very high0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-67.2-38.4174.100000112.3L256 W313 A314 L320 S321 A344L256-A317 HydrophobicContact CD1-CB 4.24Å; W313-A317 HydrophobicContact CE3-CB 4.12Å; W313-A317 HydrophobicContact CH2-CB 4.09Å; W313-A317 HydrophobicContact CZ3-CB 3.73Å; W313-A317 WeakPolarHBondContact O-CB 3.36Å; W313-A317 PolarHBondContact O-N 3.29Å; A314-A317 PolarHBondContact O-N 3.49Å; A317-L320 PolarHBondContact O-N 3.24Å; A317-S321 PolarHBondContact O-N 3.38Å; A317-A344 HydrophobicContact CB-CB 4.15Å
318V98Very high95.2Very high20 Ų2038.2 Ų38.212%0.12122%0.216CC..Hα-helixtrans-63.7-46.2172.91730000110.8A314 T315 L320 S321 D322 L341 A344 I369 D372A314-V318 VanDerWaalsContact O-CG2 3.32Å; A314-V318 WeakPolarHBondContact O-CG2 3.45Å; A314-V318 PolarHBondContact O-N 3.03Å; T315-V318 PolarHBondContact O-N 3.1Å; V318-L320 VanDerWaalsContact C-N 3.25Å; V318-L320 PolarHBondContact O-N 3.24Å; V318-S321 WeakPolarHBondContact O-CA 3.45Å; V318-S321 VanDerWaalsContact O-CB 3.27Å; V318-S321 WeakPolarHBondContact O-CB 3.42Å; V318-S321 PolarHBondContact O-N 3.25Å; V318-S321 PolarHBondContact O-OG 3.31Å; V318-D322 PolarHBondContact O-N 2.9Å; V318-L341 HydrophobicContact CG1-CD2 4.41Å; V318-L341 HydrophobicContact CG2-CD2 4.08Å; V318-A344 HydrophobicContact CG2-CB 4.28Å; V318-I369 HydrophobicContact CG2-CD1 4.49Å; V318-I369 HydrophobicContact CG2-CG1 3.71Å; V318-D372 WeakPolarHBondContact CG1-OD2 3.44Å
319A97Very high95.5Very high57 Ų5738.5 Ų38.547%0.47122%0.22SC..Hα-helixtrans-60.7-35.2176.500000112.6T315 N316 D322 Y323T315-A319 PolarHBondContact O-N 3.28Å; N316-A319 PolarHBondContact O-N 3.3Å; A319-D322 PolarHBondContact O-N 3.34Å; A319-Y323 PolarHBondContact O-N 3.06Å
320L97.2Very high95.4Very high11 Ų1143.2 Ų43.26%0.05824%0.24CC..Hα-helixtrans-67.9-36171.9-178.261.4000111.9A249 C252 Q253 L256 N316 A317 V318 D322 Y323 F324 F419A249-L320 HydrophobicContact CB-CD1 3.88Å; C252-L320 HydrophobicContact CB-CD1 4.2Å; Q253-L320 HydrophobicContact CB-CD2 3.94Å; Q253-L320 HydrophobicContact CG-CD2 4.49Å; L256-L320 HydrophobicContact CD1-CD2 3.95Å; N316-L320 PolarHBondContact O-N 2.94Å; A317-L320 PolarHBondContact O-N 3.24Å; V318-L320 VanDerWaalsContact C-N 3.25Å; V318-L320 PolarHBondContact O-N 3.24Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.43Å; L320-Y323 WeakPolarHBondContact O-CB 3.37Å; L320-Y323 PolarHBondContact O-N 3.43Å; L320-F324 HydrophobicContact CD1-CD2 4.3Å; L320-F324 HydrophobicContact CD1-CE2 3.73Å; L320-F324 HydrophobicContact CD1-CZ 4Å; L320-F324 HydrophobicContact CD2-CE2 3.87Å; L320-F324 HydrophobicContact CG-CD2 3.97Å; L320-F324 HydrophobicContact CG-CE2 3.5Å; L320-F324 VanDerWaalsContact CG-CE2 3.5Å; L320-F324 HydrophobicContact CG-CZ 4.25Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.31Å; L320-F324 VanDerWaalsContact O-N 3.1Å; L320-F419 HydrophobicContact CD2-CZ 4.09Å
321S97.2Very high95.1Very high3 Ų348.5 Ų48.52%0.02127%0.268CS..Hα-helixtrans-63.5-35.3174.788.10000112.4A317 V318 Y323 F324 S325 L341A317-S321 PolarHBondContact O-N 3.38Å; V318-S321 WeakPolarHBondContact O-CA 3.45Å; V318-S321 VanDerWaalsContact O-CB 3.27Å; V318-S321 WeakPolarHBondContact O-CB 3.42Å; V318-S321 PolarHBondContact O-N 3.25Å; V318-S321 PolarHBondContact O-OG 3.31Å; S321-Y323 VanDerWaalsContact C-N 3.34Å; S321-Y323 PolarHBondContact O-N 3.27Å; S321-F324 PolarHBondContact O-N 3.24Å; S321-S325 VanDerWaalsContact O-CB 3.3Å; S321-S325 WeakPolarHBondContact O-CB 3.45Å; S321-S325 PolarHBondContact O-N 3.02Å; S321-L341 WeakPolarHBondContact OG-CD2 3.44Å
322D96.4Very high94.8Very high91 Ų9150.3 Ų50.349%0.48728%0.277SS..Hα-helixtrans-63-41.3175.8-74.2-33.4000111.8V318 A319 L320 S325 S326V318-D322 PolarHBondContact O-N 2.9Å; A319-D322 PolarHBondContact O-N 3.34Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.43Å; D322-S325 PolarHBondContact O-N 2.95Å; D322-S326 PolarHBondContact O-N 3.48Å; D322-S326 VanDerWaalsContact O-N 3.1Å
323Y95.6Very high94.7Very high53 Ų5347 Ų4721%0.20826%0.263CS..Hα-helixtrans-60.2-51.9172.7169.1-98.7000110.8R245 A246 A249 A319 L320 S321 S325 S326 V327R245-Y323 HydrophobicContact CB-CD2 4.44Å; R245-Y323 HydrophobicContact CB-CE2 3.78Å; A246-Y323 WeakPolarHBondContact CA-OH 3.36Å; A246-Y323 WeakPolarHBondContact CB-OH 3.21Å; A246-Y323 PolarHBondContact N-OH 2.81Å; A249-Y323 HydrophobicContact CB-CD1 3.28Å; A249-Y323 HydrophobicContact CB-CE1 3.19Å; A249-Y323 HydrophobicContact CB-CG 4.08Å; A319-Y323 PolarHBondContact O-N 3.06Å; L320-Y323 WeakPolarHBondContact O-CB 3.37Å; L320-Y323 PolarHBondContact O-N 3.43Å; S321-Y323 VanDerWaalsContact C-N 3.34Å; S321-Y323 PolarHBondContact O-N 3.27Å; Y323-S325 VanDerWaalsContact C-N 3.3Å; Y323-S325 PolarHBondContact O-N 3.37Å; Y323-S326 PolarHBondContact O-N 2.99Å; Y323-S326 VanDerWaalsContact O-N 3.17Å; Y323-S326 PolarHBondContact O-OG 2.92Å; Y323-V327 HydrophobicContact CD2-CG2 4.48Å; Y323-V327 HydrophobicContact CE1-CG2 4.07Å; Y323-V327 HydrophobicContact CE2-CG2 3.85Å; Y323-V327 PolarHBondContact O-N 2.85Å
324F95.8Very high94.6Very high6 Ų647 Ų473%0.02626%0.264CS..Hα-helixtrans-61.5-40.2-179.8-71.4-48.1000111.9A249 L320 S321 S326 V327 E328 K336 M418A249-F324 HydrophobicContact CB-CE1 4.48Å; L320-F324 HydrophobicContact CD1-CD2 4.3Å; L320-F324 HydrophobicContact CD1-CE2 3.73Å; L320-F324 HydrophobicContact CD1-CZ 4Å; L320-F324 HydrophobicContact CD2-CE2 3.87Å; L320-F324 HydrophobicContact CG-CD2 3.97Å; L320-F324 HydrophobicContact CG-CE2 3.5Å; L320-F324 VanDerWaalsContact CG-CE2 3.5Å; L320-F324 HydrophobicContact CG-CZ 4.25Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.31Å; L320-F324 VanDerWaalsContact O-N 3.1Å; S321-F324 PolarHBondContact O-N 3.24Å; F324-S326 VanDerWaalsContact C-N 3.29Å; F324-S326 PolarHBondContact O-N 2.77Å; F324-V327 PolarHBondContact O-N 2.91Å; F324-V327 VanDerWaalsContact O-N 3.09Å; F324-E328 WeakPolarHBondContact O-CB 3.43Å; F324-E328 VanDerWaalsContact O-CG 3.29Å; F324-E328 WeakPolarHBondContact O-CG 3.42Å; F324-E328 PolarHBondContact O-N 3.04Å; F324-K336 HydrophobicContact CB-CB 3.96Å; F324-K336 HydrophobicContact CD1-CB 4.03Å; F324-K336 HydrophobicContact CD1-CD 3.66Å; F324-K336 HydrophobicContact CD2-CB 3.73Å; F324-K336 HydrophobicContact CE1-CB 4.49Å; F324-K336 HydrophobicContact CE1-CD 3.58Å; F324-K336 HydrophobicContact CE2-CB 4.18Å; F324-K336 HydrophobicContact CE2-CD 4.4Å; F324-K336 HydrophobicContact CG-CB 3.64Å; F324-K336 HydrophobicContact CG-CD 4.17Å; F324-K336 HydrophobicContact CZ-CD 3.97Å; F324-M418 HydrophobicContact CD2-CE 4.39Å; F324-M418 HydrophobicContact CE2-CE 3.62Å; F324-M418 HydrophobicContact CE2-SD 4.3Å; F324-M418 HydrophobicContact CZ-CE 3.91Å
325S95.9Very high94.4Very high22 Ų2248 Ų4815%0.15427%0.267CS..Hα-helixtrans-56.9-43.7176.1178.40000111.4S321 D322 Y323 V327 E328 N329 T337 I376S321-S325 VanDerWaalsContact O-CB 3.3Å; S321-S325 WeakPolarHBondContact O-CB 3.45Å; S321-S325 PolarHBondContact O-N 3.02Å; D322-S325 PolarHBondContact O-N 2.95Å; Y323-S325 VanDerWaalsContact C-N 3.3Å; Y323-S325 PolarHBondContact O-N 3.37Å; S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.42Å; S325-E328 PolarHBondContact O-N 3Å; S325-N329 WeakPolarHBondContact O-CB 3.04Å; S325-N329 PolarHBondContact O-N 3.19Å; S325-T337 VanDerWaalsContact CA-OG1 3.26Å; S325-T337 WeakPolarHBondContact CA-OG1 3.31Å; S325-T337 PolarHBondContact N-OG1 3.14Å; S325-I376 WeakPolarHBondContact OG-CD1 3.44Å
326S93.9Very high94.2Very high71 Ų7148.1 Ų48.150%0.49726%0.261SS..Hα-helixtrans-63.2-3517877.20000113.7D322 Y323 F324D322-S326 PolarHBondContact O-N 3.48Å; D322-S326 VanDerWaalsContact O-N 3.1Å; Y323-S326 PolarHBondContact O-N 2.99Å; Y323-S326 VanDerWaalsContact O-N 3.17Å; Y323-S326 PolarHBondContact O-OG 2.92Å; F324-S326 VanDerWaalsContact C-N 3.29Å; F324-S326 PolarHBondContact O-N 2.77Å
327V92.4Very high94.2Very high60 Ų6044.9 Ų44.936%0.36424%0.244SC..Hα-helixtrans-79.5-46178.5177.10000110.9Y323 F324 S325 N329 Q330Y323-V327 HydrophobicContact CD2-CG2 4.48Å; Y323-V327 HydrophobicContact CE1-CG2 4.07Å; Y323-V327 HydrophobicContact CE2-CG2 3.85Å; Y323-V327 PolarHBondContact O-N 2.85Å; F324-V327 PolarHBondContact O-N 2.91Å; F324-V327 VanDerWaalsContact O-N 3.09Å; S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.42Å; V327-N329 VanDerWaalsContact C-N 3.3Å; V327-N329 PolarHBondContact O-N 3.29Å; V327-Q330 PolarHBondContact O-N 2.73Å
328E93.1Very high94.1Very high21 Ų2145 Ų4510%0.09825%0.245CC..Hα-helixtrans-71-24.2-176.7-74.8-175.9144.600113.1F324 S325 Q330 N331 N332 C333 Y334 Y335 K336 T337F324-E328 WeakPolarHBondContact O-CB 3.43Å; F324-E328 VanDerWaalsContact O-CG 3.29Å; F324-E328 WeakPolarHBondContact O-CG 3.42Å; F324-E328 PolarHBondContact O-N 3.04Å; S325-E328 PolarHBondContact O-N 3Å; E328-Q330 PolarHBondContact O-N 2.7Å; E328-N331 CarbonylContact O-C 3.54Å; E328-N331 PolarHBondContact O-N 3.12Å; E328-N331 VanDerWaalsContact O-N 3.09Å; E328-N332 PolarHBondContact O-N 2.65Å; E328-C333 WeakPolarHBondContact CB-O 3.18Å; E328-C333 WeakPolarHBondContact CG-O 3.43Å; E328-C333 PolarHBondContact O-N 3.17Å; E328-Y334 HydrophobicContact CB-CD1 3.96Å; E328-Y334 HydrophobicContact CB-CE1 4.36Å; E328-Y334 VanDerWaalsContact OE2-C 3.26Å; E328-Y334 VanDerWaalsContact OE2-CA 3.27Å; E328-Y334 WeakPolarHBondContact OE2-CA 3.26Å; E328-Y335 PolarHBondContact OE1-N 3.36Å; E328-Y335 VanDerWaalsContact OE1-N 3.17Å; E328-Y335 PolarHBondContact OE2-N 2.98Å; E328-K336 VanDerWaalsContact OE1-CB 3.27Å; E328-K336 WeakPolarHBondContact OE1-CB 3.4Å; E328-K336 PolarHBondContact OE1-N 2.74Å; E328-K336 PolarHBondContact OE2-N 3.5Å; E328-T337 WeakPolarHBondContact OE2-CB 3.02Å; E328-T337 PolarHBondContact OE2-N 3.33Å; E328-T337 PolarHBondContact OE2-OG1 3.31Å
329N91.3Very high94Very high73 Ų7344.2 Ų44.239%0.3924%0.239SC..G310 helixtrans-54.7-35.1174.8-176.439.5000112.5S325 V327 N332 Y334 K383S325-N329 WeakPolarHBondContact O-CB 3.04Å; S325-N329 PolarHBondContact O-N 3.19Å; V327-N329 VanDerWaalsContact C-N 3.3Å; V327-N329 PolarHBondContact O-N 3.29Å; N329-N332 PolarHBondContact O-N 2.65Å; N329-N332 PolarHBondContact O-OD1 3.08Å; N329-Y334 WeakPolarHBondContact CA-OH 3.49Å; N329-Y334 HydrophobicContact CB-CE1 4.34Å; N329-Y334 PolarHBondContact OD1-OH 3.32Å; N329-K383 PolarHBondContact OD1-NZ 2.95Å
330Q87.3Confident94Very high158 Ų15841.5 Ų41.574%0.73822%0.217SC*.G310 helixtrans-68.2-35.2179.6-62.4179.60.300112.5V327 E328V327-Q330 PolarHBondContact O-N 2.73Å; E328-Q330 PolarHBondContact O-N 2.7Å
331N88.2Confident94Very high125 Ų12541 Ų4167%0.66822%0.215SC*.G310 helixtrans-97.71.8-178-64.3-20.5000112.8E328 C333E328-N331 CarbonylContact O-C 3.54Å; E328-N331 PolarHBondContact O-N 3.12Å; E328-N331 VanDerWaalsContact O-N 3.09Å; N331-C333 VanDerWaalsContact C-N 3.27Å; N331-C333 PolarHBondContact O-N 3.4Å
332N90.4Very high94Very high48 Ų4840.9 Ų40.926%0.25721%0.214SC..THydrogen-bonded Turntrans50.343.3-175.7-63.6-46000113.2E328 N329 K383 P458E328-N332 PolarHBondContact O-N 2.65Å; N329-N332 PolarHBondContact O-N 2.65Å; N329-N332 PolarHBondContact O-OD1 3.08Å; N332-K383 VanDerWaalsContact OD1-CD 3.29Å; N332-K383 WeakPolarHBondContact OD1-CD 3.49Å; N332-K383 VanDerWaalsContact OD1-CE 3.31Å; N332-K383 WeakPolarHBondContact OD1-CE 3.48Å; N332-K383 PolarHBondContact OD1-NZ 3.48Å; N332-K383 VanDerWaalsContact OD1-NZ 3.12Å; N332-P458 HydrophobicContact CB-CG 3.69Å; N332-P458 WeakPolarHBondContact O-CD 3.41Å
333C92Very high94.1Very high16 Ų1636.6 Ų36.611%0.10819%0.191CC..  trans-144.494.3-176.4-178.50000111.1E328 N331 Y335 V456 R457E328-C333 WeakPolarHBondContact CB-O 3.18Å; E328-C333 WeakPolarHBondContact CG-O 3.43Å; E328-C333 PolarHBondContact O-N 3.17Å; N331-C333 VanDerWaalsContact C-N 3.27Å; N331-C333 PolarHBondContact O-N 3.4Å; C333-Y335 PolarHBondContact O-N 3.14Å; C333-Y335 VanDerWaalsContact O-N 3.08Å; C333-V456 CarbonylContact C-O 3.46Å; C333-V456 WeakPolarHBondContact CA-O 3.36Å; C333-R457 HydrophobicContact CB-CG 4.01Å; C333-R457 PolarHBondContact SG-NE 3.28Å; C333-R457 VanDerWaalsContact SG-NE 3.4Å
334Y94.4Very high94.2Very high4 Ų434 Ų342%0.01618%0.181CC..  trans-86.242.9-172.8-66.6-72.4000113.8E328 N329 F338 I376 D379 L380 K383 V456E328-Y334 HydrophobicContact CB-CD1 3.96Å; E328-Y334 HydrophobicContact CB-CE1 4.36Å; E328-Y334 VanDerWaalsContact OE2-C 3.26Å; E328-Y334 VanDerWaalsContact OE2-CA 3.27Å; E328-Y334 WeakPolarHBondContact OE2-CA 3.26Å; N329-Y334 WeakPolarHBondContact CA-OH 3.49Å; N329-Y334 HydrophobicContact CB-CE1 4.34Å; N329-Y334 PolarHBondContact OD1-OH 3.32Å; Y334-F338 WeakPolarHBondContact O-CB 3.33Å; Y334-F338 VanDerWaalsContact O-CD2 3.26Å; Y334-F338 WeakPolarHBondContact O-CD2 3.29Å; Y334-F338 PolarHBondContact O-N 3.06Å; Y334-I376 HydrophobicContact CD1-CG2 3.87Å; Y334-I376 HydrophobicContact CD2-CG2 3.64Å; Y334-I376 HydrophobicContact CE1-CD1 4.42Å; Y334-I376 HydrophobicContact CE1-CG2 4.39Å; Y334-I376 HydrophobicContact CE2-CG2 4.19Å; Y334-I376 HydrophobicContact CG-CG2 3.46Å; Y334-I376 VanDerWaalsContact CG-CG2 3.46Å; Y334-D379 WeakPolarHBondContact CE2-OD2 3.27Å; Y334-D379 PolarHBondContact OH-OD2 3Å; Y334-L380 HydrophobicContact CD2-CD1 4.04Å; Y334-L380 HydrophobicContact CD2-CD2 3.43Å; Y334-L380 VanDerWaalsContact CD2-CD2 3.43Å; Y334-L380 HydrophobicContact CD2-CG 3.59Å; Y334-L380 HydrophobicContact CE2-CD2 3.73Å; Y334-L380 HydrophobicContact CE2-CG 3.98Å; Y334-K383 PolarHBondContact OH-NZ 3.48Å; Y334-V456 PolarHBondContact N-O 3.44Å
335Y93.3Very high94.3Very high20 Ų2033.8 Ų33.88%0.07818%0.18CC..Hα-helixtrans-65.4-54.2-171.7-170.7-89.2000112.1E328 C333 T337 F338 E339 V412 T413 F415 Y453 V456E328-Y335 PolarHBondContact OE1-N 3.36Å; E328-Y335 VanDerWaalsContact OE1-N 3.17Å; E328-Y335 PolarHBondContact OE2-N 2.98Å; C333-Y335 PolarHBondContact O-N 3.14Å; C333-Y335 VanDerWaalsContact O-N 3.08Å; Y335-T337 VanDerWaalsContact C-N 3.34Å; Y335-F338 PolarHBondContact O-N 3.19Å; Y335-E339 PolarHBondContact O-N 3.34Å; Y335-V412 HydrophobicContact CE1-CG1 4.49Å; Y335-V412 HydrophobicContact CE2-CG1 3.7Å; Y335-T413 PolarHBondContact OH-O 2.76Å; Y335-F415 HydrophobicContact CD2-CD2 4.43Å; Y335-F415 HydrophobicContact CE1-CD2 4.17Å; Y335-F415 AromaticContact CE2-CD2 3.76Å; Y335-F415 HydrophobicContact CE2-CD2 3.76Å; Y335-F415 HydrophobicContact CE2-CE2 4.48Å; Y335-F415 AromaticContact CZ-CD2 3.62Å; Y335-F415 WeakPolarHBondContact OH-CA 3.47Å; Y335-F415 WeakPolarHBondContact OH-CB 3.18Å; Y335-F415 PolarHBondContact OH-N 3.45Å; Y335-Y453 AromaticContact CD2-CD2 3.96Å; Y335-Y453 HydrophobicContact CD2-CD2 3.96Å; Y335-Y453 HydrophobicContact CE2-CD2 4.25Å; Y335-V456 HydrophobicContact CD2-CG2 3.97Å
336K94.2Very high94.4Very high83 Ų8335.1 Ų35.136%0.36118%0.183SC..Hα-helixtrans-69.1-35.1179.9-65.5-175.3179.1-175.20111.6F324 E328 E339 C340 M418F324-K336 HydrophobicContact CB-CB 3.96Å; F324-K336 HydrophobicContact CD1-CB 4.03Å; F324-K336 HydrophobicContact CD1-CD 3.66Å; F324-K336 HydrophobicContact CD2-CB 3.73Å; F324-K336 HydrophobicContact CE1-CB 4.49Å; F324-K336 HydrophobicContact CE1-CD 3.58Å; F324-K336 HydrophobicContact CE2-CB 4.18Å; F324-K336 HydrophobicContact CE2-CD 4.4Å; F324-K336 HydrophobicContact CG-CB 3.64Å; F324-K336 HydrophobicContact CG-CD 4.17Å; F324-K336 HydrophobicContact CZ-CD 3.97Å; E328-K336 VanDerWaalsContact OE1-CB 3.27Å; E328-K336 WeakPolarHBondContact OE1-CB 3.4Å; E328-K336 PolarHBondContact OE1-N 2.74Å; E328-K336 PolarHBondContact OE2-N 3.5Å; K336-E339 PolarHBondContact O-N 3.23Å; K336-C340 WeakPolarHBondContact O-CB 3.12Å; K336-C340 PolarHBondContact O-N 2.95Å; K336-C340 PolarHBondContact O-SG 2.78Å; K336-M418 HydrophobicContact CB-CE 3.84Å; K336-M418 HydrophobicContact CD-CE 3.97Å; K336-M418 HydrophobicContact CG-CE 3.78Å
337T96.8Very high94.5Very high1 Ų131.9 Ų31.91%0.00616%0.16CC..Hα-helixtrans-58.8-51.4174.2-55.60000110.8S325 E328 Y335 E339 C340 L341 I376S325-T337 VanDerWaalsContact CA-OG1 3.26Å; S325-T337 WeakPolarHBondContact CA-OG1 3.31Å; S325-T337 PolarHBondContact N-OG1 3.14Å; E328-T337 WeakPolarHBondContact OE2-CB 3.02Å; E328-T337 PolarHBondContact OE2-N 3.33Å; E328-T337 PolarHBondContact OE2-OG1 3.31Å; Y335-T337 VanDerWaalsContact C-N 3.34Å; T337-E339 PolarHBondContact O-N 3.25Å; T337-C340 PolarHBondContact O-N 2.94Å; T337-L341 HydrophobicContact CG2-CD1 4.07Å; T337-L341 WeakPolarHBondContact O-CG 3.19Å; T337-L341 PolarHBondContact O-N 3.35Å; T337-L341 VanDerWaalsContact O-N 3.08Å; T337-I376 HydrophobicContact CG2-CD1 4.24Å; T337-I376 HydrophobicContact CG2-CG1 3.99Å; T337-I376 HydrophobicContact CG2-CG2 4.46Å
338F95.8Very high94.7Very high2 Ų229 Ų291%0.00914%0.143CC..Hα-helixtrans-61.1-43.2176.5-94.4-110000112.1Y334 Y335 C340 L341 L342 L373 I376 L380 F415 V456 I471Y334-F338 WeakPolarHBondContact O-CB 3.33Å; Y334-F338 VanDerWaalsContact O-CD2 3.26Å; Y334-F338 WeakPolarHBondContact O-CD2 3.29Å; Y334-F338 PolarHBondContact O-N 3.06Å; Y335-F338 PolarHBondContact O-N 3.19Å; F338-C340 VanDerWaalsContact C-N 3.33Å; F338-C340 PolarHBondContact O-N 3.2Å; F338-L341 PolarHBondContact O-N 3.31Å; F338-L342 WeakPolarHBondContact O-CB 3.43Å; F338-L342 WeakPolarHBondContact O-CG 3.3Å; F338-L342 PolarHBondContact O-N 3.33Å; F338-L373 HydrophobicContact CD1-CD2 4.12Å; F338-L373 HydrophobicContact CE1-CD2 4.19Å; F338-L373 HydrophobicContact CG-CD2 4.44Å; F338-I376 HydrophobicContact CD2-CG2 4.22Å; F338-I376 HydrophobicContact CE2-CB 4.46Å; F338-I376 HydrophobicContact CE2-CG2 3.69Å; F338-L380 HydrophobicContact CE2-CD1 3.94Å; F338-L380 HydrophobicContact CZ-CD1 4.26Å; F338-F415 HydrophobicContact CB-CE2 4.34Å; F338-F415 HydrophobicContact CB-CZ 4.24Å; F338-V456 HydrophobicContact CB-CG1 3.92Å; F338-V456 HydrophobicContact CD1-CG1 3.95Å; F338-V456 HydrophobicContact CD2-CB 4.38Å; F338-V456 HydrophobicContact CD2-CG1 3.86Å; F338-V456 HydrophobicContact CE1-CG1 4.42Å; F338-V456 HydrophobicContact CE2-CG1 4.31Å; F338-V456 HydrophobicContact CG-CG1 3.64Å; F338-I471 HydrophobicContact CE1-CD1 4.4Å
339E95.1Very high94.8Very high3 Ų330.7 Ų30.71%0.01415%0.151CC..Hα-helixtrans-62.6-39.8-179.6-164.6168.5-172.700112Y335 K336 T337 S343 F415 G416 S417 M418 L423Y335-E339 PolarHBondContact O-N 3.34Å; K336-E339 PolarHBondContact O-N 3.23Å; T337-E339 PolarHBondContact O-N 3.25Å; E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 2.53Å; E339-S343 PolarHBondContact O-OG 3.24Å; E339-F415 HydrophobicContact CB-CE2 3.98Å; E339-F415 HydrophobicContact CB-CZ 4.35Å; E339-F415 HydrophobicContact CG-CE2 4.43Å; E339-G416 WeakPolarHBondContact OE1-CA 3.21Å; E339-G416 PolarHBondContact OE1-N 3.14Å; E339-S417 PolarHBondContact OE1-N 3.48Å; E339-M418 HydrophobicContact CG-CB 3.83Å; E339-M418 WeakPolarHBondContact OE1-CB 3.21Å; E339-M418 PolarHBondContact OE1-N 3.02Å; E339-L423 HydrophobicContact CG-CD1 3.97Å
340C97.6Very high94.9Very high0 Ų030.5 Ų30.50%015%0.148CC..Hα-helixtrans-63.7-50.2173.6-69.60000112.4K336 T337 F338 S343 A344K336-C340 WeakPolarHBondContact O-CB 3.12Å; K336-C340 PolarHBondContact O-N 2.95Å; K336-C340 PolarHBondContact O-SG 2.78Å; T337-C340 PolarHBondContact O-N 2.94Å; F338-C340 VanDerWaalsContact C-N 3.33Å; F338-C340 PolarHBondContact O-N 3.2Å; C340-S343 PolarHBondContact O-N 3.5Å; C340-A344 PolarHBondContact O-N 3.38Å
341L98.2Very high95.1Very high1 Ų123.1 Ų23.11%0.00511%0.114CC..Hα-helixtrans-65.3-43.9-177.2-67.7171.9000112.1V318 S321 T337 F338 S343 A344 I345 I369 D372 L373V318-L341 HydrophobicContact CG1-CD2 4.41Å; V318-L341 HydrophobicContact CG2-CD2 4.08Å; S321-L341 WeakPolarHBondContact OG-CD2 3.44Å; T337-L341 HydrophobicContact CG2-CD1 4.07Å; T337-L341 WeakPolarHBondContact O-CG 3.19Å; T337-L341 PolarHBondContact O-N 3.35Å; T337-L341 VanDerWaalsContact O-N 3.08Å; F338-L341 PolarHBondContact O-N 3.31Å; L341-S343 VanDerWaalsContact C-N 3.33Å; L341-S343 PolarHBondContact O-N 3.44Å; L341-A344 WeakPolarHBondContact O-CB 3.21Å; L341-A344 PolarHBondContact O-N 3.08Å; L341-I345 PolarHBondContact O-N 3.41Å; L341-I369 HydrophobicContact CB-CG2 4.2Å; L341-I369 HydrophobicContact CD2-CG2 4.03Å; L341-I369 WeakPolarHBondContact O-CG2 3.18Å; L341-D372 HydrophobicContact CD1-CB 4.32Å; L341-D372 HydrophobicContact CD2-CB 3.93Å; L341-L373 HydrophobicContact CB-CD1 4.46Å; L341-L373 HydrophobicContact CB-CD2 3.75Å; L341-L373 HydrophobicContact CB-CG 3.9Å; L341-L373 HydrophobicContact CD1-CD2 3.66Å; L341-L373 HydrophobicContact CD1-CG 3.9Å; L341-L373 HydrophobicContact CG-CD2 4.36Å; L341-L373 HydrophobicContact CG-CG 4.49Å
342L97.4Very high95.4Very high1 Ų121.2 Ų21.21%0.00510%0.097CC..Hα-helixtrans-68.7-32.9176.8-67.1-177.2000112.3F338 I345 H346 L373 F415 L423 I426 M427 L430F338-L342 WeakPolarHBondContact O-CB 3.43Å; F338-L342 WeakPolarHBondContact O-CG 3.3Å; F338-L342 PolarHBondContact O-N 3.33Å; L342-I345 HydrophobicContact CD2-CD1 4.12Å; L342-I345 PolarHBondContact O-N 3.45Å; L342-H346 PolarHBondContact O-N 2.66Å; L342-L373 HydrophobicContact CD2-CD1 3.84Å; L342-F415 HydrophobicContact CD1-CE1 3.72Å; L342-F415 HydrophobicContact CD1-CZ 3.75Å; L342-L423 HydrophobicContact CB-CD1 4.08Å; L342-L423 HydrophobicContact CB-CD2 4.34Å; L342-I426 HydrophobicContact CD2-CG2 3.9Å; L342-M427 HydrophobicContact CD1-SD 3.99Å; L342-L430 HydrophobicContact CD2-CD1 3.61Å
343S97.8Very high95.4Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-66.7-39.1172.2-63.50000112E339 C340 L341 H346 V347 F419E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 2.53Å; E339-S343 PolarHBondContact O-OG 3.24Å; C340-S343 PolarHBondContact O-N 3.5Å; L341-S343 VanDerWaalsContact C-N 3.33Å; L341-S343 PolarHBondContact O-N 3.44Å; S343-H346 WeakPolarHBondContact O-CB 3.29Å; S343-H346 PolarHBondContact O-N 3.09Å; S343-V347 WeakPolarHBondContact O-CG2 3.48Å; S343-V347 PolarHBondContact O-N 3.42Å; S343-F419 WeakPolarHBondContact OG-CD2 3.43Å
344A98.2Very high95.2Very high0 Ų029.7 Ų29.70%014%0.138CC..Hα-helixtrans-61.2-45.6173.600000111.3A314 A317 V318 C340 L341 H346 V347 V348 I369A314-A344 HydrophobicContact CB-CB 4.01Å; A317-A344 HydrophobicContact CB-CB 4.15Å; V318-A344 HydrophobicContact CG2-CB 4.28Å; C340-A344 PolarHBondContact O-N 3.38Å; L341-A344 WeakPolarHBondContact O-CB 3.21Å; L341-A344 PolarHBondContact O-N 3.08Å; A344-H346 VanDerWaalsContact C-N 3.35Å; A344-H346 PolarHBondContact O-N 3.1Å; A344-V347 PolarHBondContact O-N 3.1Å; A344-V348 VanDerWaalsContact O-CG2 3.29Å; A344-V348 WeakPolarHBondContact O-CG2 3.44Å; A344-V348 PolarHBondContact O-N 3.23Å; A344-V348 VanDerWaalsContact O-N 3.09Å; A344-I369 HydrophobicContact CB-CD1 3.82Å; A344-I369 HydrophobicContact CB-CG1 4.41Å; A344-I369 HydrophobicContact CB-CG2 4.42Å
345I97.8Very high94.7Very high1 Ų132.4 Ų32.41%0.00517%0.167CC..Hα-helixtrans-58-47.6173.7-71157.4000110.8L341 L342 V347 V348 E349 L366 I369 Y370 L373 I426L341-I345 PolarHBondContact O-N 3.41Å; L342-I345 HydrophobicContact CD2-CD1 4.12Å; L342-I345 PolarHBondContact O-N 3.45Å; I345-V347 PolarHBondContact O-N 3.03Å; I345-V348 PolarHBondContact O-N 2.81Å; I345-E349 HydrophobicContact CG2-CG 4.12Å; I345-E349 WeakPolarHBondContact O-CB 3.05Å; I345-E349 WeakPolarHBondContact O-CG 3.36Å; I345-E349 PolarHBondContact O-N 3.17Å; I345-L366 HydrophobicContact CB-CD2 4.3Å; I345-L366 HydrophobicContact CG1-CD2 4.19Å; I345-L366 HydrophobicContact CG2-CD2 4.06Å; I345-I369 HydrophobicContact CD1-CG2 3.82Å; I345-I369 HydrophobicContact CG1-CB 4.15Å; I345-I369 HydrophobicContact CG1-CG2 3.6Å; I345-Y370 HydrophobicContact CD1-CD1 3.84Å; I345-Y370 HydrophobicContact CD1-CE1 3.46Å; I345-Y370 VanDerWaalsContact CD1-CE1 3.46Å; I345-Y370 HydrophobicContact CG1-CE1 4.02Å; I345-Y370 HydrophobicContact CG2-CE1 4.38Å; I345-L373 HydrophobicContact CD1-CD1 3.44Å; I345-L373 VanDerWaalsContact CD1-CD1 3.44Å; I345-I426 HydrophobicContact CG2-CD1 4.15Å; I345-I426 HydrophobicContact CG2-CG2 4.02Å
346H96.8Very high94.2Very high49 Ų4937.1 Ų37.123%0.22719%0.194CC..Hα-helixtrans-55.5-49.3-179.7-175.182.9000112.5L342 S343 A344 V348 E349 E350 L421 L423 I426L342-H346 PolarHBondContact O-N 2.66Å; S343-H346 WeakPolarHBondContact O-CB 3.29Å; S343-H346 PolarHBondContact O-N 3.09Å; A344-H346 VanDerWaalsContact C-N 3.35Å; A344-H346 PolarHBondContact O-N 3.1Å; H346-V348 PolarHBondContact O-N 2.7Å; H346-E349 PolarHBondContact O-N 2.92Å; H346-E350 PolarHBondContact O-N 2.89Å; H346-L421 HydrophobicContact CB-CD1 4.39Å; H346-L423 HydrophobicContact CB-CD2 4.22Å; H346-I426 HydrophobicContact CB-CD1 3.46Å; H346-I426 VanDerWaalsContact CB-CD1 3.46Å
347V96.5Very high94Very high3 Ų334.7 Ų34.72%0.01818%0.184CC..Hα-helixtrans-66.4-38.1-177.7170.20000111.6L260 F308 P310 W313 S343 A344 I345 A351 L421L260-V347 HydrophobicContact CD1-CG2 4.37Å; L260-V347 HydrophobicContact CD2-CG2 3.78Å; F308-V347 HydrophobicContact CE1-CG1 4.23Å; F308-V347 HydrophobicContact CZ-CG1 3.97Å; P310-V347 HydrophobicContact CB-CG1 3.89Å; W313-V347 HydrophobicContact CD2-CG1 4.39Å; W313-V347 HydrophobicContact CD2-CG2 4.41Å; W313-V347 HydrophobicContact CE3-CB 3.92Å; W313-V347 HydrophobicContact CE3-CG1 3.91Å; W313-V347 HydrophobicContact CE3-CG2 3.74Å; W313-V347 HydrophobicContact CH2-CG2 4.2Å; W313-V347 HydrophobicContact CZ3-CB 4.12Å; W313-V347 HydrophobicContact CZ3-CG2 3.63Å; S343-V347 WeakPolarHBondContact O-CG2 3.48Å; S343-V347 PolarHBondContact O-N 3.42Å; A344-V347 PolarHBondContact O-N 3.1Å; I345-V347 PolarHBondContact O-N 3.03Å; V347-A351 PolarHBondContact O-N 3.04Å; V347-A351 VanDerWaalsContact O-N 3.09Å; V347-L421 HydrophobicContact CG2-CD1 4.16Å
348V97Very high93.8Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-72.8-37.5178.4179.20000111.7I311 A314 A344 I345 H346 A351 R352 I362 T365 L366 I369I311-V348 HydrophobicContact CD1-CG1 4.13Å; I311-V348 HydrophobicContact CD1-CG2 4.35Å; A314-V348 HydrophobicContact CB-CG2 3.38Å; A344-V348 VanDerWaalsContact O-CG2 3.29Å; A344-V348 WeakPolarHBondContact O-CG2 3.44Å; A344-V348 PolarHBondContact O-N 3.23Å; A344-V348 VanDerWaalsContact O-N 3.09Å; I345-V348 PolarHBondContact O-N 2.81Å; H346-V348 PolarHBondContact O-N 2.7Å; V348-A351 WeakPolarHBondContact O-CB 3.27Å; V348-A351 PolarHBondContact O-N 3.27Å; V348-R352 PolarHBondContact O-N 2.91Å; V348-I362 HydrophobicContact CG1-CG2 3.78Å; V348-T365 HydrophobicContact CG2-CG2 3.97Å; V348-L366 HydrophobicContact CB-CD2 3.94Å; V348-L366 HydrophobicContact CB-CG 4.22Å; V348-L366 HydrophobicContact CG1-CD1 4.01Å; V348-L366 HydrophobicContact CG1-CD2 3.91Å; V348-L366 HydrophobicContact CG1-CG 3.6Å; V348-I369 HydrophobicContact CG2-CD1 4.4Å
349E94.7Very high93.6Very high56 Ų5641.5 Ų41.526%0.26223%0.23SC..Hα-helixtrans-68.8-37.8174.2-68.9-68.9-171.700112.2I345 H346 A351 R352 L353 L366I345-E349 HydrophobicContact CG2-CG 4.12Å; I345-E349 WeakPolarHBondContact O-CB 3.05Å; I345-E349 WeakPolarHBondContact O-CG 3.36Å; I345-E349 PolarHBondContact O-N 3.17Å; H346-E349 PolarHBondContact O-N 2.92Å; E349-A351 VanDerWaalsContact C-N 3.27Å; E349-A351 PolarHBondContact O-N 3.34Å; E349-R352 WeakPolarHBondContact O-CB 3.32Å; E349-R352 PolarHBondContact O-N 2.64Å; E349-R352 WeakPolarHBondContact OE2-CD 3.45Å; E349-R352 IonicContact OE2-CZ 2.98Å; E349-R352 IonicContact OE2-NE 2.69Å; E349-R352 PolarHBondContact OE2-NE 3.46Å; E349-L353 PolarHBondContact O-N 3.46Å; E349-L366 HydrophobicContact CG-CD1 4.34Å; E349-L366 HydrophobicContact CG-CD2 4.14Å; E349-L366 WeakPolarHBondContact OE1-CD1 3.4Å
350E92.8Very high93.5Very high70 Ų7045.2 Ų45.233%0.32726%0.257SS..Hα-helixtrans-59.4-41.8171-169.4178.5-178.600110.1K264 H346 R352 L353 E354K264-E350 IonicContact NZ-OE1 2.85Å; K264-E350 PolarHBondContact NZ-OE1 3.45Å; H346-E350 PolarHBondContact O-N 2.89Å; E350-R352 PolarHBondContact O-N 3.09Å; E350-L353 WeakPolarHBondContact O-CB 3.35Å; E350-L353 PolarHBondContact O-N 3.24Å; E350-E354 PolarHBondContact O-N 2.78Å
351A92.6Very high93.4Very high3 Ų349 Ų493%0.02527%0.274CS..Hα-helixtrans-66-32.9176.300000113.7P310 V347 V348 E349 L353 E354 G355 I357P310-A351 HydrophobicContact CB-CB 3.55Å; P310-A351 HydrophobicContact CG-CB 3.64Å; V347-A351 PolarHBondContact O-N 3.04Å; V347-A351 VanDerWaalsContact O-N 3.09Å; V348-A351 WeakPolarHBondContact O-CB 3.27Å; V348-A351 PolarHBondContact O-N 3.27Å; E349-A351 VanDerWaalsContact C-N 3.27Å; E349-A351 PolarHBondContact O-N 3.34Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.4Å; A351-E354 PolarHBondContact O-N 3.45Å; A351-G355 PolarHBondContact O-N 2.95Å; A351-I357 HydrophobicContact CB-CD1 4.03Å
352R94Very high93.3Very high85 Ų8549 Ų4932%0.32128%0.275SS..Hα-helixtrans-58.8-43.6172-171.4-167-71.8-89.23.5111.2V348 E349 E350 E354 G355 I362 D363V348-R352 PolarHBondContact O-N 2.91Å; E349-R352 WeakPolarHBondContact O-CB 3.32Å; E349-R352 PolarHBondContact O-N 2.64Å; E349-R352 WeakPolarHBondContact OE2-CD 3.45Å; E349-R352 IonicContact OE2-CZ 2.98Å; E349-R352 IonicContact OE2-NE 2.69Å; E349-R352 PolarHBondContact OE2-NE 3.46Å; E350-R352 PolarHBondContact O-N 3.09Å; R352-E354 VanDerWaalsContact C-N 3.28Å; R352-E354 PolarHBondContact O-N 3.08Å; R352-G355 PolarHBondContact O-N 3.36Å; R352-I362 HydrophobicContact CB-CD1 4.01Å; R352-I362 HydrophobicContact CB-CG2 4.01Å; R352-I362 HydrophobicContact CG-CD1 4.3Å; R352-I362 HydrophobicContact CG-CG2 4.23Å; R352-D363 IonicContact CZ-OD1 3.91Å; R352-D363 IonicContact NH1-OD1 2.66Å; R352-D363 PolarHBondContact NH1-OD1 2.64Å; R352-D363 IonicContact NH2-OD1 2.69Å; R352-D363 PolarHBondContact NH2-OD1 2.85Å
353L91Very high93.2Very high155 Ų15551.3 Ų51.381%0.81229%0.287SS*.Hα-helixtrans-67.3-28.8178.7-61.9174000112.7E349 E350 A351E349-L353 PolarHBondContact O-N 3.46Å; E350-L353 WeakPolarHBondContact O-CB 3.35Å; E350-L353 PolarHBondContact O-N 3.24Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.4Å
354E86.3Confident93.1Very high87 Ų8752.8 Ų52.841%0.40730%0.297SS..Hα-helixtrans-74-23.1176.1-63.6-166.7151.600113.8K267 E350 A351 R352 N356K267-E354 IonicContact NZ-OE1 3.35Å; K267-E354 PolarHBondContact NZ-OE1 3.28Å; K267-E354 IonicContact NZ-OE2 2.69Å; K267-E354 PolarHBondContact NZ-OE2 3.23Å; E350-E354 PolarHBondContact O-N 2.78Å; A351-E354 PolarHBondContact O-N 3.45Å; R352-E354 VanDerWaalsContact C-N 3.28Å; R352-E354 PolarHBondContact O-N 3.08Å; E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 3.4Å
355G85.5Confident93.1Very high61 Ų6153.5 Ų53.563%0.62930%0.301SS*.THydrogen-bonded Turntrans71.911.7174.300000116.5A351 R352A351-G355 PolarHBondContact O-N 2.95Å; R352-G355 PolarHBondContact O-N 3.36Å
356N83.2Confident93.1Very high119 Ų11953.6 Ų53.664%0.63630%0.302SS*.  trans-87.9-15.7-175.3-64.6-51.2000114.6E354E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 3.4Å
357I88.2Confident93.1Very high32 Ų3251.4 Ų51.416%0.16429%0.292CS..SBendtrans-111.4138.9-174.2-55.6179.5000108.4P310 I311 A351 S359 Q361 I362P310-I357 HydrophobicContact CB-CD1 4.25Å; P310-I357 HydrophobicContact CG-CD1 3.96Å; I311-I357 HydrophobicContact CD1-CD1 4.47Å; I311-I357 HydrophobicContact CD1-CG2 4.4Å; I311-I357 HydrophobicContact CG1-CD1 3.9Å; I311-I357 HydrophobicContact CG1-CG2 4.04Å; A351-I357 HydrophobicContact CB-CD1 4.03Å; I357-S359 PolarHBondContact O-N 3.01Å; I357-Q361 HydrophobicContact CG2-CB 4.22Å; I357-Q361 HydrophobicContact CG2-CG 4.39Å; I357-I362 HydrophobicContact CB-CD1 4.04Å; I357-I362 HydrophobicContact CB-CG1 4.04Å; I357-I362 HydrophobicContact CG2-CD1 4.4Å; I357-I362 HydrophobicContact CG2-CG1 3.84Å
358P92.6Very high93.2Very high78 Ų7854.4 Ų54.451%0.50631%0.308SS..  trans-54.4130.6178-25.234.3000112S360 Q361 I362P358-S360 PolarHBondContact O-N 2.78Å; P358-S360 VanDerWaalsContact O-N 3.14Å; P358-Q361 WeakPolarHBondContact O-CB 3.46Å; P358-Q361 PolarHBondContact O-N 3.45Å; P358-I362 PolarHBondContact O-N 2.59Å
359S93.1Very high93.2Very high67 Ų6754.6 Ų54.647%0.46931%0.309SS..Hα-helixtrans-53.2-39.6-178.4-167.10000112.1I357 Q361 I362 D363I357-S359 PolarHBondContact O-N 3.01Å; S359-Q361 VanDerWaalsContact C-N 3.26Å; S359-Q361 PolarHBondContact O-N 2.96Å; S359-I362 WeakPolarHBondContact O-CB 3.41Å; S359-I362 PolarHBondContact O-N 3.46Å; S359-I362 VanDerWaalsContact O-N 3.16Å; S359-D363 WeakPolarHBondContact O-CB 3.15Å; S359-D363 PolarHBondContact O-N 3.39Å; S359-D363 PolarHBondContact OG-OD2 2.91Å
360S93Very high93.4Very high82 Ų8252.1 Ų52.157%0.57330%0.297SS*.Hα-helixtrans-58.1-37.2178.3590000113.3P358 S364P358-S360 PolarHBondContact O-N 2.78Å; P358-S360 VanDerWaalsContact O-N 3.14Å; S360-S364 VanDerWaalsContact O-CB 3.3Å; S360-S364 WeakPolarHBondContact O-CB 3.38Å; S360-S364 PolarHBondContact O-N 3.43Å; S360-S364 PolarHBondContact O-OG 3.37Å
361Q94.7Very high93.6Very high78 Ų7852.1 Ų52.136%0.36429%0.294SS..Hα-helixtrans-70.5-46.6177.5-171.8175.41.500110.1I311 I357 P358 S359 D363 S364 T365I311-Q361 HydrophobicContact CD1-CG 4.48Å; I311-Q361 HydrophobicContact CG1-CG 4.29Å; I311-Q361 HydrophobicContact CG2-CG 4.39Å; I357-Q361 HydrophobicContact CG2-CB 4.22Å; I357-Q361 HydrophobicContact CG2-CG 4.39Å; P358-Q361 WeakPolarHBondContact O-CB 3.46Å; P358-Q361 PolarHBondContact O-N 3.45Å; S359-Q361 VanDerWaalsContact C-N 3.26Å; S359-Q361 PolarHBondContact O-N 2.96Å; Q361-D363 PolarHBondContact O-N 3.22Å; Q361-S364 PolarHBondContact O-N 3.48Å; Q361-S364 PolarHBondContact O-OG 3.09Å; Q361-T365 WeakPolarHBondContact O-CB 3.5Å; Q361-T365 PolarHBondContact O-N 3.32Å; Q361-T365 PolarHBondContact O-OG1 3.4Å
362I96Very high93.9Very high3 Ų354.2 Ų54.22%0.01531%0.305CS..Hα-helixtrans-57.1-50.6176-60.7-176.2000111V348 R352 I357 P358 S359 S364 T365 L366V348-I362 HydrophobicContact CG1-CG2 3.78Å; R352-I362 HydrophobicContact CB-CD1 4.01Å; R352-I362 HydrophobicContact CB-CG2 4.01Å; R352-I362 HydrophobicContact CG-CD1 4.3Å; R352-I362 HydrophobicContact CG-CG2 4.23Å; I357-I362 HydrophobicContact CB-CD1 4.04Å; I357-I362 HydrophobicContact CB-CG1 4.04Å; I357-I362 HydrophobicContact CG2-CD1 4.4Å; I357-I362 HydrophobicContact CG2-CG1 3.84Å; P358-I362 PolarHBondContact O-N 2.59Å; S359-I362 WeakPolarHBondContact O-CB 3.41Å; S359-I362 PolarHBondContact O-N 3.46Å; S359-I362 VanDerWaalsContact O-N 3.16Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 2.76Å; I362-T365 PolarHBondContact O-N 3.38Å; I362-L366 HydrophobicContact CG2-CD1 3.81Å; I362-L366 WeakPolarHBondContact O-CB 3.3Å; I362-L366 WeakPolarHBondContact O-CG 3.27Å; I362-L366 PolarHBondContact O-N 3.09Å
363D95.9Very high94.1Very high49 Ų4950.1 Ų50.126%0.26229%0.29SS..Hα-helixtrans-62.5-42.3-178.1-65-37000110.9R352 S359 Q361 A367 F482R352-D363 IonicContact CZ-OD1 3.91Å; R352-D363 IonicContact NH1-OD1 2.66Å; R352-D363 PolarHBondContact NH1-OD1 2.64Å; R352-D363 IonicContact NH2-OD1 2.69Å; R352-D363 PolarHBondContact NH2-OD1 2.85Å; S359-D363 WeakPolarHBondContact O-CB 3.15Å; S359-D363 PolarHBondContact O-N 3.39Å; S359-D363 PolarHBondContact OG-OD2 2.91Å; Q361-D363 PolarHBondContact O-N 3.22Å; D363-A367 VanDerWaalsContact O-CB 3.22Å; D363-A367 WeakPolarHBondContact O-CB 3.34Å; D363-A367 PolarHBondContact O-N 3.43Å; D363-F482 HydrophobicContact CB-CD2 3.9Å
364S96.1Very high94.4Very high30 Ų3042.8 Ų42.821%0.2125%0.251CS..Hα-helixtrans-64.1-43.6175.875.70000112.7S360 Q361 I362 A367 N368S360-S364 VanDerWaalsContact O-CB 3.3Å; S360-S364 WeakPolarHBondContact O-CB 3.38Å; S360-S364 PolarHBondContact O-N 3.43Å; S360-S364 PolarHBondContact O-OG 3.37Å; Q361-S364 PolarHBondContact O-N 3.48Å; Q361-S364 PolarHBondContact O-OG 3.09Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 2.76Å; S364-A367 PolarHBondContact O-N 3.31Å; S364-N368 VanDerWaalsContact O-CG 3.29Å; S364-N368 PolarHBondContact O-N 3.38Å; S364-N368 VanDerWaalsContact O-N 3.08Å; S364-N368 PolarHBondContact O-ND2 2.91Å
365T97.1Very high94.9Very high15 Ų1545.3 Ų45.39%0.09226%0.261CS..Hα-helixtrans-66.1-45.8-179.9-61.10000110.8I311 A314 V348 Q361 I362 N368 I369I311-T365 HydrophobicContact CD1-CG2 4.24Å; I311-T365 HydrophobicContact CG2-CG2 4.38Å; A314-T365 HydrophobicContact CB-CG2 4.38Å; V348-T365 HydrophobicContact CG2-CG2 3.97Å; Q361-T365 WeakPolarHBondContact O-CB 3.5Å; Q361-T365 PolarHBondContact O-N 3.32Å; Q361-T365 PolarHBondContact O-OG1 3.4Å; I362-T365 PolarHBondContact O-N 3.38Å; T365-N368 PolarHBondContact O-N 2.9Å; T365-I369 HydrophobicContact CG2-CD1 3.96Å; T365-I369 WeakPolarHBondContact O-CD1 3.26Å; T365-I369 VanDerWaalsContact O-CG1 3.27Å; T365-I369 WeakPolarHBondContact O-CG1 3.37Å; T365-I369 PolarHBondContact O-N 2.98Å; T365-I369 VanDerWaalsContact O-N 3.1Å
366L97.9Very high95.5Very high4 Ų443.1 Ų43.12%0.02123%0.234CC..Hα-helixtrans-63.3-43.6176.5-75.3166.5000111.9I345 V348 E349 I362 N368 I369 Y370I345-L366 HydrophobicContact CB-CD2 4.3Å; I345-L366 HydrophobicContact CG1-CD2 4.19Å; I345-L366 HydrophobicContact CG2-CD2 4.06Å; V348-L366 HydrophobicContact CB-CD2 3.94Å; V348-L366 HydrophobicContact CB-CG 4.22Å; V348-L366 HydrophobicContact CG1-CD1 4.01Å; V348-L366 HydrophobicContact CG1-CD2 3.91Å; V348-L366 HydrophobicContact CG1-CG 3.6Å; E349-L366 HydrophobicContact CG-CD1 4.34Å; E349-L366 HydrophobicContact CG-CD2 4.14Å; E349-L366 WeakPolarHBondContact OE1-CD1 3.4Å; I362-L366 HydrophobicContact CG2-CD1 3.81Å; I362-L366 WeakPolarHBondContact O-CB 3.3Å; I362-L366 WeakPolarHBondContact O-CG 3.27Å; I362-L366 PolarHBondContact O-N 3.09Å; L366-N368 VanDerWaalsContact C-N 3.26Å; L366-N368 PolarHBondContact O-N 3.21Å; L366-I369 PolarHBondContact O-N 3.4Å; L366-Y370 HydrophobicContact CB-CD2 4.3Å; L366-Y370 HydrophobicContact CB-CE2 3.93Å; L366-Y370 HydrophobicContact CD2-CE2 4.43Å; L366-Y370 WeakPolarHBondContact O-CD2 3.19Å; L366-Y370 PolarHBondContact O-N 2.89Å
367A97.6Very high96.1Very high2 Ų237.5 Ų37.52%0.01720%0.204CC..Hα-helixtrans-60.1-37.3178.400000112.3D363 S364 R371 F482 Y483D363-A367 VanDerWaalsContact O-CB 3.22Å; D363-A367 WeakPolarHBondContact O-CB 3.34Å; D363-A367 PolarHBondContact O-N 3.43Å; S364-A367 PolarHBondContact O-N 3.31Å; A367-R371 WeakPolarHBondContact O-CG 3.27Å; A367-R371 PolarHBondContact O-N 2.61Å; A367-R371 VanDerWaalsContact O-N 3.12Å; A367-F482 HydrophobicContact CB-CB 3.66Å; A367-F482 HydrophobicContact CB-CD1 3.91Å; A367-F482 HydrophobicContact CB-CG 4.03Å; A367-Y483 HydrophobicContact CB-CD2 3.77Å; A367-Y483 HydrophobicContact CB-CE2 3.62Å
368N97.5Very high96.6Very high67 Ų6736.2 Ų36.236%0.35820%0.198SC..Hα-helixtrans-64-49.8172.9-71-21.1000112.1S364 T365 L366 Y370 R371 D372 Y483S364-N368 VanDerWaalsContact O-CG 3.29Å; S364-N368 PolarHBondContact O-N 3.38Å; S364-N368 VanDerWaalsContact O-N 3.08Å; S364-N368 PolarHBondContact O-ND2 2.91Å; T365-N368 PolarHBondContact O-N 2.9Å; L366-N368 VanDerWaalsContact C-N 3.26Å; L366-N368 PolarHBondContact O-N 3.21Å; N368-Y370 VanDerWaalsContact C-N 3.27Å; N368-Y370 PolarHBondContact O-N 3.48Å; N368-R371 WeakPolarHBondContact O-CB 3.44Å; N368-R371 PolarHBondContact O-N 3Å; N368-D372 PolarHBondContact O-N 3.09Å; N368-Y483 PolarHBondContact OD1-OH 3.16Å
369I98.3Very high96.8Very high3 Ų334.8 Ų34.82%0.01519%0.186CC..Hα-helixtrans-61.9-38.1-179.7-57.5159.1000111A314 V318 L341 A344 I345 V348 T365 L366 D372 L373A314-I369 HydrophobicContact CB-CD1 4.38Å; V318-I369 HydrophobicContact CG2-CD1 4.49Å; V318-I369 HydrophobicContact CG2-CG1 3.71Å; L341-I369 HydrophobicContact CB-CG2 4.2Å; L341-I369 HydrophobicContact CD2-CG2 4.03Å; L341-I369 WeakPolarHBondContact O-CG2 3.18Å; A344-I369 HydrophobicContact CB-CD1 3.82Å; A344-I369 HydrophobicContact CB-CG1 4.41Å; A344-I369 HydrophobicContact CB-CG2 4.42Å; I345-I369 HydrophobicContact CD1-CG2 3.82Å; I345-I369 HydrophobicContact CG1-CB 4.15Å; I345-I369 HydrophobicContact CG1-CG2 3.6Å; V348-I369 HydrophobicContact CG2-CD1 4.4Å; T365-I369 HydrophobicContact CG2-CD1 3.96Å; T365-I369 WeakPolarHBondContact O-CD1 3.26Å; T365-I369 VanDerWaalsContact O-CG1 3.27Å; T365-I369 WeakPolarHBondContact O-CG1 3.37Å; T365-I369 PolarHBondContact O-N 2.98Å; T365-I369 VanDerWaalsContact O-N 3.1Å; L366-I369 PolarHBondContact O-N 3.4Å; I369-D372 PolarHBondContact O-N 3.4Å; I369-L373 PolarHBondContact O-N 2.9Å
370Y98.2Very high96.9Very high5 Ų531.6 Ų31.62%0.0216%0.164CC..Hα-helixtrans-64.3-38174.9-70.9-49.3000112.7I345 L366 N368 L373 V374 L430 C475 K478I345-Y370 HydrophobicContact CD1-CD1 3.84Å; I345-Y370 HydrophobicContact CD1-CE1 3.46Å; I345-Y370 VanDerWaalsContact CD1-CE1 3.46Å; I345-Y370 HydrophobicContact CG1-CE1 4.02Å; I345-Y370 HydrophobicContact CG2-CE1 4.38Å; L366-Y370 HydrophobicContact CB-CD2 4.3Å; L366-Y370 HydrophobicContact CB-CE2 3.93Å; L366-Y370 HydrophobicContact CD2-CE2 4.43Å; L366-Y370 WeakPolarHBondContact O-CD2 3.19Å; L366-Y370 PolarHBondContact O-N 2.89Å; N368-Y370 VanDerWaalsContact C-N 3.27Å; N368-Y370 PolarHBondContact O-N 3.48Å; Y370-L373 HydrophobicContact CD1-CD1 4.45Å; Y370-L373 PolarHBondContact O-N 3.29Å; Y370-V374 VanDerWaalsContact O-CG2 3.3Å; Y370-V374 WeakPolarHBondContact O-CG2 3.45Å; Y370-V374 PolarHBondContact O-N 3.34Å; Y370-L430 HydrophobicContact CE1-CD2 4.43Å; Y370-C475 HydrophobicContact CD1-CB 4.17Å; Y370-C475 HydrophobicContact CG-CB 4.48Å; Y370-K478 HydrophobicContact CD1-CD 4.43Å; Y370-K478 HydrophobicContact CD2-CB 3.54Å; Y370-K478 HydrophobicContact CD2-CD 4.31Å; Y370-K478 HydrophobicContact CE1-CD 3.71Å; Y370-K478 HydrophobicContact CE2-CB 3.51Å; Y370-K478 HydrophobicContact CE2-CD 3.56Å; Y370-K478 HydrophobicContact CE2-CG 4.18Å; Y370-K478 HydrophobicContact CG-CB 4.1Å; Y370-K478 VanDerWaalsContact OH-CD 3.25Å; Y370-K478 WeakPolarHBondContact OH-CD 3.29Å; Y370-K478 PolarHBondContact OH-NZ 3.28Å
371R97.7Very high97.1Very high70 Ų7027.7 Ų27.726%0.26414%0.136SC..Hα-helixtrans-63.7-40.2173.6-75.2175.970.2-17711.1112.1A367 N368 V374 K375 A479 Y483 D491 L495A367-R371 WeakPolarHBondContact O-CG 3.27Å; A367-R371 PolarHBondContact O-N 2.61Å; A367-R371 VanDerWaalsContact O-N 3.12Å; N368-R371 WeakPolarHBondContact O-CB 3.44Å; N368-R371 PolarHBondContact O-N 3Å; R371-V374 WeakPolarHBondContact O-CB 3.29Å; R371-V374 PolarHBondContact O-N 2.9Å; R371-K375 PolarHBondContact O-N 3.09Å; R371-A479 HydrophobicContact CG-CB 4.35Å; R371-Y483 HydrophobicContact CG-CE2 4.38Å; R371-Y483 PolarHBondContact NH1-OH 3.31Å; R371-D491 IonicContact CZ-OD1 3.54Å; R371-D491 VanDerWaalsContact CZ-OD1 3.28Å; R371-D491 IonicContact NH1-OD1 2.79Å; R371-D491 PolarHBondContact NH1-OD1 2.83Å; R371-D491 IonicContact NH2-OD1 3.45Å; R371-D491 PolarHBondContact NH2-OD1 3.28Å; R371-L495 HydrophobicContact CG-CD2 3.83Å
372D97.6Very high97.1Very high46 Ų4626.4 Ų26.425%0.24613%0.13CC..Hα-helixtrans-63.7-42.4176.4-66.3-33.7000111.3V318 L341 N368 I369 V374 K375 I376V318-D372 WeakPolarHBondContact CG1-OD2 3.44Å; L341-D372 HydrophobicContact CD1-CB 4.32Å; L341-D372 HydrophobicContact CD2-CB 3.93Å; N368-D372 PolarHBondContact O-N 3.09Å; I369-D372 PolarHBondContact O-N 3.4Å; D372-V374 VanDerWaalsContact C-N 3.34Å; D372-V374 PolarHBondContact O-N 3.21Å; D372-K375 PolarHBondContact O-N 3.18Å; D372-I376 WeakPolarHBondContact O-CG1 3.48Å; D372-I376 PolarHBondContact O-N 3.47Å; D372-I376 VanDerWaalsContact O-N 3.1Å
373L97.7Very high97.1Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-60.7-40.7172.2-81172.4000112.8F338 L341 L342 I345 I369 Y370 S377 L430F338-L373 HydrophobicContact CD1-CD2 4.12Å; F338-L373 HydrophobicContact CE1-CD2 4.19Å; F338-L373 HydrophobicContact CG-CD2 4.44Å; L341-L373 HydrophobicContact CB-CD1 4.46Å; L341-L373 HydrophobicContact CB-CD2 3.75Å; L341-L373 HydrophobicContact CB-CG 3.9Å; L341-L373 HydrophobicContact CD1-CD2 3.66Å; L341-L373 HydrophobicContact CD1-CG 3.9Å; L341-L373 HydrophobicContact CG-CD2 4.36Å; L341-L373 HydrophobicContact CG-CG 4.49Å; L342-L373 HydrophobicContact CD2-CD1 3.84Å; I345-L373 HydrophobicContact CD1-CD1 3.44Å; I345-L373 VanDerWaalsContact CD1-CD1 3.44Å; I369-L373 PolarHBondContact O-N 2.9Å; Y370-L373 HydrophobicContact CD1-CD1 4.45Å; Y370-L373 PolarHBondContact O-N 3.29Å; L373-S377 WeakPolarHBondContact O-CB 3.35Å; L373-S377 PolarHBondContact O-N 2.97Å; L373-S377 PolarHBondContact O-OG 3.48Å; L373-L430 HydrophobicContact CD1-CD1 4.44Å
374V98.2Very high97Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-61.2-45.8176.2167.30000110.6Y370 R371 D372 I376 S377 L378 I472 C475 I476 D498Y370-V374 VanDerWaalsContact O-CG2 3.3Å; Y370-V374 WeakPolarHBondContact O-CG2 3.45Å; Y370-V374 PolarHBondContact O-N 3.34Å; R371-V374 WeakPolarHBondContact O-CB 3.29Å; R371-V374 PolarHBondContact O-N 2.9Å; D372-V374 VanDerWaalsContact C-N 3.34Å; D372-V374 PolarHBondContact O-N 3.21Å; V374-I376 PolarHBondContact O-N 3.45Å; V374-S377 PolarHBondContact O-N 2.95Å; V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 VanDerWaalsContact O-CB 3.31Å; V374-L378 WeakPolarHBondContact O-CB 3.39Å; V374-L378 WeakPolarHBondContact O-CG 3.33Å; V374-L378 PolarHBondContact O-N 3.35Å; V374-I472 HydrophobicContact CG1-CG2 4.23Å; V374-C475 HydrophobicContact CG2-CB 3.5Å; V374-I476 HydrophobicContact CG1-CD1 4.3Å; V374-I476 HydrophobicContact CG1-CG1 4.17Å; V374-I476 HydrophobicContact CG2-CG1 3.65Å; V374-D498 HydrophobicContact CG1-CB 3.97Å
375K97.2Very high96.9Very high141 Ų14124.9 Ų24.961%0.61312%0.119SC*.Hα-helixtrans-58.7-49.5179.1-178.7-177.5175.2-172.90111.9R371 D372 L378 D379R371-K375 PolarHBondContact O-N 3.09Å; D372-K375 PolarHBondContact O-N 3.18Å; K375-L378 PolarHBondContact O-N 3.1Å; K375-D379 PolarHBondContact O-N 2.95Å; K375-D379 VanDerWaalsContact O-N 3.08Å
376I96.9Very high96.7Very high15 Ų1530.1 Ų30.18%0.07714%0.141CC..Hα-helixtrans-66.2-41.8178.8-58.6-59.6000111.2S325 Y334 T337 F338 D372 V374 L378 D379 L380S325-I376 WeakPolarHBondContact OG-CD1 3.44Å; Y334-I376 HydrophobicContact CD1-CG2 3.87Å; Y334-I376 HydrophobicContact CD2-CG2 3.64Å; Y334-I376 HydrophobicContact CE1-CD1 4.42Å; Y334-I376 HydrophobicContact CE1-CG2 4.39Å; Y334-I376 HydrophobicContact CE2-CG2 4.19Å; Y334-I376 HydrophobicContact CG-CG2 3.46Å; Y334-I376 VanDerWaalsContact CG-CG2 3.46Å; T337-I376 HydrophobicContact CG2-CD1 4.24Å; T337-I376 HydrophobicContact CG2-CG1 3.99Å; T337-I376 HydrophobicContact CG2-CG2 4.46Å; F338-I376 HydrophobicContact CD2-CG2 4.22Å; F338-I376 HydrophobicContact CE2-CB 4.46Å; F338-I376 HydrophobicContact CE2-CG2 3.69Å; D372-I376 WeakPolarHBondContact O-CG1 3.48Å; D372-I376 PolarHBondContact O-N 3.47Å; D372-I376 VanDerWaalsContact O-N 3.1Å; V374-I376 PolarHBondContact O-N 3.45Å; I376-L378 PolarHBondContact O-N 3.26Å; I376-D379 PolarHBondContact O-N 3.1Å; I376-L380 PolarHBondContact O-N 2.9Å
377S97.3Very high96.2Very high0 Ų033.4 Ų33.40%016%0.156CC..Hα-helixtrans-66.9-36.8179.6-58.80000112.4L373 V374 L380 L381 I468 I472L373-S377 WeakPolarHBondContact O-CB 3.35Å; L373-S377 PolarHBondContact O-N 2.97Å; L373-S377 PolarHBondContact O-OG 3.48Å; V374-S377 PolarHBondContact O-N 2.95Å; S377-L380 PolarHBondContact O-N 3.26Å; S377-L381 WeakPolarHBondContact O-CB 3.49Å; S377-L381 PolarHBondContact O-N 3.45Å; S377-I468 WeakPolarHBondContact O-CG2 3.41Å; S377-I472 VanDerWaalsContact CB-CG1 3.4Å
378L97.8Very high95.7Very high6 Ų635.4 Ų35.43%0.03116%0.163CC..Hα-helixtrans-66.6-39.3173.7-81.1171.8000112V374 K375 I376 L381 E382 I472 D498 K501 A502 L505V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 VanDerWaalsContact O-CB 3.31Å; V374-L378 WeakPolarHBondContact O-CB 3.39Å; V374-L378 WeakPolarHBondContact O-CG 3.33Å; V374-L378 PolarHBondContact O-N 3.35Å; K375-L378 PolarHBondContact O-N 3.1Å; I376-L378 PolarHBondContact O-N 3.26Å; L378-L381 PolarHBondContact O-N 3.01Å; L378-E382 VanDerWaalsContact O-CB 3.28Å; L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.45Å; L378-I472 HydrophobicContact CD2-CD1 3.94Å; L378-I472 HydrophobicContact CG-CD1 4.09Å; L378-D498 HydrophobicContact CD1-CB 3.83Å; L378-K501 HydrophobicContact CD1-CD 4.48Å; L378-K501 HydrophobicContact CD2-CB 4.4Å; L378-K501 HydrophobicContact CD2-CD 4.37Å; L378-K501 HydrophobicContact CD2-CG 4.19Å; L378-A502 HydrophobicContact CD2-CB 3.93Å; L378-L505 HydrophobicContact CD2-CD1 4.19Å
379D96.5Very high94.6Very high48 Ų4833.7 Ų33.726%0.25716%0.162SC..Hα-helixtrans-62.3-45.1174.3178.272.3000111.5Y334 K375 I376 L381 E382 K383Y334-D379 WeakPolarHBondContact CE2-OD2 3.27Å; Y334-D379 PolarHBondContact OH-OD2 3Å; K375-D379 PolarHBondContact O-N 2.95Å; K375-D379 VanDerWaalsContact O-N 3.08Å; I376-D379 PolarHBondContact O-N 3.1Å; D379-L381 PolarHBondContact O-N 3.11Å; D379-E382 PolarHBondContact O-N 3.49Å; D379-K383 WeakPolarHBondContact O-CB 3.4Å; D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.35Å; D379-K383 WeakPolarHBondContact OD1-CE 3.21Å; D379-K383 IonicContact OD1-NZ 3.71Å; D379-K383 WeakPolarHBondContact OD2-CD 3.36Å; D379-K383 WeakPolarHBondContact OD2-CE 3.46Å; D379-K383 IonicContact OD2-NZ 3.47Å; D379-K383 PolarHBondContact OD2-NZ 3.31Å
380L96.8Very high93.4Very high0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-56.1-49.9173.2-78178.5000112.1Y334 F338 I376 S377 E382 K383 G384 R457 P458 P459 I468Y334-L380 HydrophobicContact CD2-CD1 4.04Å; Y334-L380 HydrophobicContact CD2-CD2 3.43Å; Y334-L380 VanDerWaalsContact CD2-CD2 3.43Å; Y334-L380 HydrophobicContact CD2-CG 3.59Å; Y334-L380 HydrophobicContact CE2-CD2 3.73Å; Y334-L380 HydrophobicContact CE2-CG 3.98Å; F338-L380 HydrophobicContact CE2-CD1 3.94Å; F338-L380 HydrophobicContact CZ-CD1 4.26Å; I376-L380 PolarHBondContact O-N 2.9Å; S377-L380 PolarHBondContact O-N 3.26Å; L380-E382 VanDerWaalsContact C-N 3.34Å; L380-E382 PolarHBondContact O-N 3.3Å; L380-K383 PolarHBondContact O-N 3.03Å; L380-G384 PolarHBondContact O-N 3.45Å; L380-R457 VanDerWaalsContact CD2-C 3.45Å; L380-P458 HydrophobicContact CD2-CG 4.2Å; L380-P459 VanDerWaalsContact O-CD 3.3Å; L380-P459 WeakPolarHBondContact O-CD 3.35Å; L380-I468 HydrophobicContact CB-CD1 4.29Å
381L96.1Very high91.8Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-64.2-40.4180-166.963.1000111.2S377 L378 D379 G384 T385 P459 A465 I468 I472 L505 F509S377-L381 WeakPolarHBondContact O-CB 3.49Å; S377-L381 PolarHBondContact O-N 3.45Å; L378-L381 PolarHBondContact O-N 3.01Å; D379-L381 PolarHBondContact O-N 3.11Å; L381-G384 PolarHBondContact O-N 3.03Å; L381-T385 WeakPolarHBondContact O-CG2 3.21Å; L381-T385 PolarHBondContact O-N 2.95Å; L381-P459 HydrophobicContact CD1-CG 3.88Å; L381-A465 HydrophobicContact CD1-CB 3.96Å; L381-I468 HydrophobicContact CB-CG2 4.28Å; L381-I472 HydrophobicContact CD2-CD1 4.15Å; L381-L505 HydrophobicContact CB-CD1 4.23Å; L381-L505 HydrophobicContact CD2-CB 3.62Å; L381-L505 HydrophobicContact CD2-CD1 4.25Å; L381-L505 HydrophobicContact CG-CB 3.73Å; L381-L505 HydrophobicContact CG-CD1 4.25Å; L381-F509 HydrophobicContact CD1-CD2 4.31Å; L381-F509 HydrophobicContact CD1-CE2 3.79Å
382E96Very high90Very high50 Ų5043.6 Ų43.623%0.23422%0.223CC..Hα-helixtrans-64.1-46.7177.5-173.3176.915400112L378 D379 L380 G384 T385 K386 K501 L505L378-E382 VanDerWaalsContact O-CB 3.28Å; L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.45Å; D379-E382 PolarHBondContact O-N 3.49Å; L380-E382 VanDerWaalsContact C-N 3.34Å; L380-E382 PolarHBondContact O-N 3.3Å; E382-G384 VanDerWaalsContact C-N 3.28Å; E382-G384 PolarHBondContact O-N 3.47Å; E382-T385 PolarHBondContact O-N 2.92Å; E382-T385 PolarHBondContact O-OG1 3.1Å; E382-K386 PolarHBondContact O-N 3.26Å; E382-K386 IonicContact OE1-NZ 2.8Å; E382-K386 PolarHBondContact OE1-NZ 3.44Å; E382-K501 VanDerWaalsContact OE2-CE 3.24Å; E382-K501 WeakPolarHBondContact OE2-CE 3.22Å; E382-K501 IonicContact OE2-NZ 3.69Å; E382-K501 PolarHBondContact OE2-NZ 2.94Å; E382-L505 HydrophobicContact CB-CD1 3.99Å; E382-L505 HydrophobicContact CB-CD2 4.31Å; E382-L505 HydrophobicContact CG-CD2 4.33Å
383K94.8Very high87.9Confident29 Ų2948.3 Ų48.313%0.12625%0.248CC..Hα-helixtrans-60.2-40.5173.2-73.2167.6172175.30111.8N329 N332 Y334 D379 L380 T385 K386 Q387 P458N329-K383 PolarHBondContact OD1-NZ 2.95Å; N332-K383 VanDerWaalsContact OD1-CD 3.29Å; N332-K383 WeakPolarHBondContact OD1-CD 3.49Å; N332-K383 VanDerWaalsContact OD1-CE 3.31Å; N332-K383 WeakPolarHBondContact OD1-CE 3.48Å; N332-K383 PolarHBondContact OD1-NZ 3.48Å; N332-K383 VanDerWaalsContact OD1-NZ 3.12Å; Y334-K383 PolarHBondContact OH-NZ 3.48Å; D379-K383 WeakPolarHBondContact O-CB 3.4Å; D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.35Å; D379-K383 WeakPolarHBondContact OD1-CE 3.21Å; D379-K383 IonicContact OD1-NZ 3.71Å; D379-K383 WeakPolarHBondContact OD2-CD 3.36Å; D379-K383 WeakPolarHBondContact OD2-CE 3.46Å; D379-K383 IonicContact OD2-NZ 3.47Å; D379-K383 PolarHBondContact OD2-NZ 3.31Å; L380-K383 PolarHBondContact O-N 3.03Å; K383-T385 PolarHBondContact O-N 3.46Å; K383-K386 PolarHBondContact O-N 2.68Å; K383-Q387 WeakPolarHBondContact O-CG 3.5Å; K383-Q387 PolarHBondContact O-N 3.29Å; K383-Q387 VanDerWaalsContact O-N 3.08Å; K383-P458 HydrophobicContact CB-CB 4.11Å; K383-P458 HydrophobicContact CB-CG 3.86Å; K383-P458 HydrophobicContact CD-CG 4.44Å
384G94.8Very high85.5Confident0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-58.7-44.8174.400000112L380 L381 E382 K386 Q387 Y388L380-G384 PolarHBondContact O-N 3.45Å; L381-G384 PolarHBondContact O-N 3.03Å; E382-G384 VanDerWaalsContact C-N 3.28Å; E382-G384 PolarHBondContact O-N 3.47Å; G384-K386 VanDerWaalsContact C-N 3.3Å; G384-K386 PolarHBondContact O-N 2.93Å; G384-Q387 PolarHBondContact O-N 3.1Å; G384-Y388 VanDerWaalsContact O-CB 3.25Å; G384-Y388 WeakPolarHBondContact O-CB 3.43Å; G384-Y388 PolarHBondContact O-N 3.47Å
385T94Very high83Confident21 Ų2164 Ų6413%0.12932%0.318CS..Hα-helixtrans-61-37.8178.459.40000112.9L381 E382 K383 G389 L505 V508 F509L381-T385 WeakPolarHBondContact O-CG2 3.21Å; L381-T385 PolarHBondContact O-N 2.95Å; E382-T385 PolarHBondContact O-N 2.92Å; E382-T385 PolarHBondContact O-OG1 3.1Å; K383-T385 PolarHBondContact O-N 3.46Å; T385-G389 PolarHBondContact O-N 3.4Å; T385-G389 VanDerWaalsContact O-N 3.08Å; T385-L505 HydrophobicContact CG2-CB 3.95Å; T385-L505 HydrophobicContact CG2-CD2 3.84Å; T385-L505 WeakPolarHBondContact CG2-O 3.47Å; T385-V508 HydrophobicContact CG2-CB 3.99Å; T385-V508 HydrophobicContact CG2-CG1 4.33Å; T385-V508 HydrophobicContact CG2-CG2 4Å; T385-F509 HydrophobicContact CG2-CD2 4.38Å; T385-F509 HydrophobicContact CG2-CE2 3.6Å; T385-F509 HydrophobicContact CG2-CZ 4.25Å
386K91.4Very high80.2Confident125 Ų12565.2 Ų65.254%0.54333%0.33SS..Hα-helixtrans-66.8-42.9177-65.5172.7-172.6166.40111.4E382 K383 G384E382-K386 PolarHBondContact O-N 3.26Å; E382-K386 IonicContact OE1-NZ 2.8Å; E382-K386 PolarHBondContact OE1-NZ 3.44Å; K383-K386 PolarHBondContact O-N 2.68Å; G384-K386 VanDerWaalsContact C-N 3.3Å; G384-K386 PolarHBondContact O-N 2.93Å
387Q88.3Confident77.2Confident73 Ų7370.9 Ų70.934%0.34137%0.366SS..Hα-helixtrans-68.7-41.1177-68.8177.70.700112.3K383 G384 G389 N390 L391K383-Q387 WeakPolarHBondContact O-CG 3.5Å; K383-Q387 PolarHBondContact O-N 3.29Å; K383-Q387 VanDerWaalsContact O-N 3.08Å; G384-Q387 PolarHBondContact O-N 3.1Å; Q387-G389 VanDerWaalsContact C-N 3.35Å; Q387-G389 PolarHBondContact O-N 2.87Å; Q387-N390 PolarHBondContact O-N 3.17Å; Q387-L391 WeakPolarHBondContact O-CG 3.17Å; Q387-L391 PolarHBondContact O-N 3.38Å; Q387-L391 VanDerWaalsContact O-N 3.14Å
388Y86.8Confident74.5Confident45 Ų4574.8 Ų74.818%0.17639%0.393CS..Hα-helixtrans-64.4-38.7179.7-168.6-100000112G384 N390 L391 V392 V508 F509G384-Y388 VanDerWaalsContact O-CB 3.25Å; G384-Y388 WeakPolarHBondContact O-CB 3.43Å; G384-Y388 PolarHBondContact O-N 3.47Å; Y388-N390 PolarHBondContact O-N 3.32Å; Y388-L391 PolarHBondContact O-N 3.36Å; Y388-V392 HydrophobicContact CD1-CG2 4.17Å; Y388-V392 HydrophobicContact CE1-CG2 3.85Å; Y388-V392 WeakPolarHBondContact O-CG2 2.97Å; Y388-V392 PolarHBondContact O-N 2.91Å; Y388-V392 VanDerWaalsContact O-N 3.16Å; Y388-V508 HydrophobicContact CD1-CG1 4.08Å; Y388-F509 HydrophobicContact CD1-CD1 4.25Å; Y388-F509 HydrophobicContact CD1-CE1 4.42Å; Y388-F509 AromaticContact CD2-CD1 3.86Å; Y388-F509 HydrophobicContact CD2-CD1 3.86Å; Y388-F509 AromaticContact CD2-CE1 3.8Å; Y388-F509 HydrophobicContact CD2-CE1 3.8Å; Y388-F509 HydrophobicContact CE2-CD1 4.18Å; Y388-F509 AromaticContact CG-CD1 3.91Å; Y388-F509 HydrophobicContact CG-CD1 3.91Å; Y388-F509 AromaticContact CG-CE1 3.73Å; Y388-F509 HydrophobicContact CG-CE1 3.73Å
389G73.9Confident71.9Confident31 Ų3183.2 Ų83.232%0.3243%0.432SS..Hα-helixtrans-57.1-46.917400000112.6T385 Q387 L391 V392 D393T385-G389 PolarHBondContact O-N 3.4Å; T385-G389 VanDerWaalsContact O-N 3.08Å; Q387-G389 VanDerWaalsContact C-N 3.35Å; Q387-G389 PolarHBondContact O-N 2.87Å; G389-L391 VanDerWaalsContact C-N 3.35Å; G389-L391 PolarHBondContact O-N 3.22Å; G389-V392 PolarHBondContact O-N 3.12Å; G389-D393 PolarHBondContact O-N 3.46Å
390N72.7Confident69.1Low105 Ų10587.6 Ų87.656%0.56146%0.456SS*.Hα-helixtrans-64.5-37.8178.7-62.8-8000112.5Q387 Y388 V392 D393 E394Q387-N390 PolarHBondContact O-N 3.17Å; Y388-N390 PolarHBondContact O-N 3.32Å; N390-V392 VanDerWaalsContact C-N 3.32Å; N390-V392 PolarHBondContact O-N 3.24Å; N390-D393 PolarHBondContact O-N 3Å; N390-E394 PolarHBondContact O-N 3.15Å
391L66.2Low66.6Low91 Ų9189.6 Ų89.648%0.47647%0.472SS..Hα-helixtrans-69-26.3178.8-73.2166.6000113.6Q387 Y388 G389 E394Q387-L391 WeakPolarHBondContact O-CG 3.17Å; Q387-L391 PolarHBondContact O-N 3.38Å; Q387-L391 VanDerWaalsContact O-N 3.14Å; Y388-L391 PolarHBondContact O-N 3.36Å; G389-L391 VanDerWaalsContact C-N 3.35Å; G389-L391 PolarHBondContact O-N 3.22Å; L391-E394 CarbonylContact O-C 3.58Å; L391-E394 VanDerWaalsContact O-O 3.09Å
392V59.3Low64Low90 Ų9096.8 Ų96.855%0.54551%0.506SS..Hα-helixtrans-77.4-31.6177.2174.80000110.9Y388 G389 N390Y388-V392 HydrophobicContact CD1-CG2 4.17Å; Y388-V392 HydrophobicContact CE1-CG2 3.85Å; Y388-V392 WeakPolarHBondContact O-CG2 2.97Å; Y388-V392 PolarHBondContact O-N 2.91Å; Y388-V392 VanDerWaalsContact O-N 3.16Å; G389-V392 PolarHBondContact O-N 3.12Å; N390-V392 VanDerWaalsContact C-N 3.32Å; N390-V392 PolarHBondContact O-N 3.24Å
393D52.7Low61.2Low144 Ų144103.1 Ų103.177%0.7753%0.533SS*.Hα-helixtrans-78.3-32174.6-71.3-25.4000112.1G389 N390 K395G389-D393 PolarHBondContact O-N 3.46Å; N390-D393 PolarHBondContact O-N 3Å; D393-K395 PolarHBondContact O-N 3.4Å
394E47.2Very low58.7Low142 Ų142109.9 Ų109.966%0.66456%0.563SS**SBendtrans-92.481.5173.2-68.3-179.9173.800111N390 L391 L396N390-E394 PolarHBondContact O-N 3.15Å; L391-E394 CarbonylContact O-C 3.58Å; L391-E394 VanDerWaalsContact O-O 3.09Å; E394-L396 PolarHBondContact O-N 3.45Å
395K46.2Very low56.5Low188 Ų188114.8 Ų114.882%0.81758%0.584SS**  trans-47.6109.1167.1-81.7179.6175.8175.20110.9D393D393-K395 PolarHBondContact O-N 3.4Å
396L37.9Very low53.9Low166 Ų166117 Ų11787%0.86960%0.6SS**SBendtrans43.182.7151.6-80.5127.6000116.3E394E394-L396 PolarHBondContact O-N 3.45Å
397T34.1Very low51.5Low135 Ų135118 Ų11883%0.82861%0.607SS**  trans-154.8100.9145.248.70000109.8
398S41.8Very low49.7Very low82 Ų82119.4 Ų119.457%0.57361%0.613SS**  trans-176.786.6146.243.60000110.8D400S398-D400 PolarHBondContact O-N 2.92Å
399E41.7Very low48Very low182 Ų182120.3 Ų120.385%0.8562%0.621SS**THydrogen-bonded Turntrans-67.8-9.6157.6-69.8-179.5156.500111.3A401E399-A401 PolarHBondContact O-N 3.43Å
400D38.6Very low46.7Very low140 Ų140126.3 Ų126.375%0.74964%0.641SS**THydrogen-bonded Turntrans-78.1-14.1-179.3-62.1-39000114.9S398 E402S398-D400 PolarHBondContact O-N 2.92Å; D400-E402 VanDerWaalsContact C-N 3.35Å
401A44Very low45.7Very low42 Ų42128 Ų12835%0.34765%0.65SS.*Hα-helixtrans-78.4-17.1-17800000113.7E399 K405E399-A401 PolarHBondContact O-N 3.43Å; A401-K405 WeakPolarHBondContact O-CD 3.47Å; A401-K405 WeakPolarHBondContact O-CG 2.93Å
402E41.6Very low45.4Very low152 Ų152125.4 Ų125.471%0.7164%0.637SS**Hα-helixtrans-80.3-29.3-179.4-70.7-169.6153.500112.7D400 K405D400-E402 VanDerWaalsContact C-N 3.35Å; E402-K405 PolarHBondContact O-N 3.15Å
403F36.2Very low46Very low182 Ų182125.2 Ų125.280%0.79864%0.637SS**Hα-helixtrans-71.3-35.4-176.6-118.3-91.3000113.6
404K44.4Very low47.5Very low172 Ų172124.3 Ų124.375%0.74863%0.626SS**Hα-helixtrans-72.9-26.3174.4-77.7-175.9177.3178.10113.6S406K404-S406 VanDerWaalsContact C-N 3.31Å; K404-S406 PolarHBondContact O-N 2.92Å
405K48.2Very low49.4Very low103 Ų103117.8 Ų117.845%0.44860%0.595SS.*Hα-helixtrans-72-25.9-179.6-75.1173.7-178.3171.60112.7A401 E402 L409A401-K405 WeakPolarHBondContact O-CD 3.47Å; A401-K405 WeakPolarHBondContact O-CG 2.93Å; E402-K405 PolarHBondContact O-N 3.15Å; K405-L409 WeakPolarHBondContact O-CD1 3.5Å; K405-L409 PolarHBondContact O-N 3.16Å
406S38.7Very low51.5Low66 Ų66109 Ų10946%0.46256%0.558SS.*Hα-helixtrans-72.1-39.4-177.4-165.60000113K404 L409 Q410K404-S406 VanDerWaalsContact C-N 3.31Å; K404-S406 PolarHBondContact O-N 2.92Å; S406-L409 PolarHBondContact O-N 3.45Å; S406-Q410 PolarHBondContact O-N 3.32Å
407E41.7Very low54.1Low148 Ų148103 Ų10369%0.69253%0.53SS*.Hα-helixtrans-69.2-36.1178.2-78.4-174.4158.100112.9
408E50.5Low56.9Low101 Ų10197.2 Ų97.247%0.47249%0.494SS..Hα-helixtrans-69.2-34.9175.8-68.4-174.3165.200112.1N411 V412 R457E408-N411 PolarHBondContact O-N 2.91Å; E408-V412 WeakPolarHBondContact O-CG2 3.49Å; E408-R457 IonicContact OE2-CZ 3.87Å; E408-R457 IonicContact OE2-NH1 3.15Å; E408-R457 PolarHBondContact OE2-NH1 3.4Å; E408-R457 IonicContact OE2-NH2 2.63Å; E408-R457 PolarHBondContact OE2-NH2 3.42Å
409L49.6Very low59.5Low65 Ų6593.5 Ų93.534%0.3447%0.467SS..Hα-helixtrans-67.5-34.9-179.5-114.983.8000113.1K405 S406 N411 V412 D450 Y453K405-L409 WeakPolarHBondContact O-CD1 3.5Å; K405-L409 PolarHBondContact O-N 3.16Å; S406-L409 PolarHBondContact O-N 3.45Å; L409-N411 PolarHBondContact O-N 2.97Å; L409-V412 PolarHBondContact O-N 3.11Å; L409-D450 HydrophobicContact CD2-CB 4.39Å; L409-D450 WeakPolarHBondContact CD2-OD1 3.21Å; L409-Y453 HydrophobicContact CD1-CD1 3.54Å; L409-Y453 HydrophobicContact CD1-CE1 3.36Å; L409-Y453 HydrophobicContact CG-CD1 4.42Å; L409-Y453 HydrophobicContact CG-CE1 4.41Å
410Q46.5Very low61.9Low157 Ų15790.7 Ų90.773%0.73446%0.458SS*.Hα-helixtrans-65.6-22.3-177.2-74.4-1776.500113.1S406S406-Q410 PolarHBondContact O-N 3.32Å
411N53.3Low64.5Low140 Ų14085.3 Ų85.375%0.74943%0.429SS*.THydrogen-bonded Turntrans-97.53.4179.5-70-32.9000113.8E408 L409 T413E408-N411 PolarHBondContact O-N 2.91Å; L409-N411 PolarHBondContact O-N 2.97Å; N411-T413 PolarHBondContact O-N 3.39Å; N411-T413 VanDerWaalsContact O-N 3.14Å
412V60Low66.8Low36 Ų3690.5 Ų90.522%0.21845%0.446CS..  trans-74.7108.7-179.3-1770000109.5Y335 E408 L409 Y453Y335-V412 HydrophobicContact CE1-CG1 4.49Å; Y335-V412 HydrophobicContact CE2-CG1 3.7Å; E408-V412 WeakPolarHBondContact O-CG2 3.49Å; L409-V412 PolarHBondContact O-N 3.11Å; V412-Y453 HydrophobicContact CG1-CD2 4.18Å; V412-Y453 HydrophobicContact CG2-CD2 3.79Å; V412-Y453 HydrophobicContact CG2-CE2 3.5Å; V412-Y453 VanDerWaalsContact CG2-CE2 3.5Å
413T71.3Confident69.2Low87 Ų8783.4 Ų83.453%0.53441%0.413SS..PPolyproline II helixtrans-59.8145.4170.453.70000109.7Y335 N411 F415 S417Y335-T413 PolarHBondContact OH-O 2.76Å; N411-T413 PolarHBondContact O-N 3.39Å; N411-T413 VanDerWaalsContact O-N 3.14Å; T413-F415 PolarHBondContact O-N 2.99Å; T413-S417 WeakPolarHBondContact CB-OG 3.47Å
414K84.5Confident71.7Confident125 Ų12578.7 Ų78.754%0.54339%0.394SS..PPolyproline II helixtrans-47.9131178.3179.9-176.9176-174.70110.9G416 S417K414-G416 PolarHBondContact O-N 2.89Å; K414-S417 WeakPolarHBondContact O-CB 3.47Å; K414-S417 PolarHBondContact O-N 3Å; K414-S417 PolarHBondContact O-OG 3.32Å
415F87.4Confident73.9Confident5 Ų574.5 Ų74.52%0.02238%0.384CS..THydrogen-bonded Turntrans-61.4128.2178.1-168.3-103.3000110.6Y335 F338 E339 L342 T413 L423 N449 I452Y335-F415 HydrophobicContact CD2-CD2 4.43Å; Y335-F415 HydrophobicContact CE1-CD2 4.17Å; Y335-F415 AromaticContact CE2-CD2 3.76Å; Y335-F415 HydrophobicContact CE2-CD2 3.76Å; Y335-F415 HydrophobicContact CE2-CE2 4.48Å; Y335-F415 AromaticContact CZ-CD2 3.62Å; Y335-F415 WeakPolarHBondContact OH-CA 3.47Å; Y335-F415 WeakPolarHBondContact OH-CB 3.18Å; Y335-F415 PolarHBondContact OH-N 3.45Å; F338-F415 HydrophobicContact CB-CE2 4.34Å; F338-F415 HydrophobicContact CB-CZ 4.24Å; E339-F415 HydrophobicContact CB-CE2 3.98Å; E339-F415 HydrophobicContact CB-CZ 4.35Å; E339-F415 HydrophobicContact CG-CE2 4.43Å; L342-F415 HydrophobicContact CD1-CE1 3.72Å; L342-F415 HydrophobicContact CD1-CZ 3.75Å; T413-F415 PolarHBondContact O-N 2.99Å; F415-L423 HydrophobicContact CD1-CB 4.13Å; F415-L423 HydrophobicContact CD1-CD1 4.14Å; F415-L423 HydrophobicContact CE1-CB 3.94Å; F415-L423 HydrophobicContact CE1-CD1 3.72Å; F415-L423 HydrophobicContact CE1-CG 4.5Å; F415-L423 HydrophobicContact CZ-CD1 4.22Å; F415-N449 PolarHBondContact N-OD1 3.14Å; F415-I452 HydrophobicContact CB-CD1 3.87Å; F415-I452 HydrophobicContact CB-CG2 4.41Å; F415-I452 HydrophobicContact CD1-CD1 3.85Å; F415-I452 HydrophobicContact CD1-CG2 4.17Å; F415-I452 HydrophobicContact CD2-CG2 3.75Å; F415-I452 HydrophobicContact CE1-CG2 4.36Å; F415-I452 HydrophobicContact CE2-CG2 3.98Å; F415-I452 HydrophobicContact CG-CD1 3.96Å; F415-I452 HydrophobicContact CG-CG2 3.85Å; F415-I452 HydrophobicContact CZ-CG2 4.27Å
416G90.4Very high76Confident3 Ų370.3 Ų70.33%0.03137%0.366CS..THydrogen-bonded Turntrans96.2-7.1-171.400000114.7E339 K414 M418 N420 L421E339-G416 WeakPolarHBondContact OE1-CA 3.21Å; E339-G416 PolarHBondContact OE1-N 3.14Å; K414-G416 PolarHBondContact O-N 2.89Å; G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 3.4Å; G416-N420 WeakPolarHBondContact O-CA 3.4Å; G416-N420 PolarHBondContact O-N 3.44Å; G416-L421 WeakPolarHBondContact CA-O 3.48Å; G416-L421 PolarHBondContact O-N 2.84Å
417S92.1Very high78.4Confident40 Ų4067.3 Ų67.328%0.2835%0.345SS..THydrogen-bonded Turntrans-69.6-21.4178.260.70000114.6E339 T413 K414 F419 N420E339-S417 PolarHBondContact OE1-N 3.48Å; T413-S417 WeakPolarHBondContact CB-OG 3.47Å; K414-S417 WeakPolarHBondContact O-CB 3.47Å; K414-S417 PolarHBondContact O-N 3Å; K414-S417 PolarHBondContact O-OG 3.32Å; S417-F419 VanDerWaalsContact C-N 3.26Å; S417-F419 PolarHBondContact O-N 2.76Å; S417-N420 PolarHBondContact O-N 3.3Å; S417-N420 PolarHBondContact O-OD1 3.24Å
418M93.2Very high80.7Confident14 Ų1462.8 Ų62.87%0.06933%0.327CS..THydrogen-bonded Turntrans-55.7-41.6178.7178.3176.8-92.900112.2Q253 F324 K336 E339 G416Q253-M418 HydrophobicContact CG-CE 4.31Å; Q253-M418 HydrophobicContact CG-CG 3.62Å; Q253-M418 HydrophobicContact CG-SD 4.14Å; Q253-M418 PolarHBondContact NE2-O 2.86Å; F324-M418 HydrophobicContact CD2-CE 4.39Å; F324-M418 HydrophobicContact CE2-CE 3.62Å; F324-M418 HydrophobicContact CE2-SD 4.3Å; F324-M418 HydrophobicContact CZ-CE 3.91Å; K336-M418 HydrophobicContact CB-CE 3.84Å; K336-M418 HydrophobicContact CD-CE 3.97Å; K336-M418 HydrophobicContact CG-CE 3.78Å; E339-M418 HydrophobicContact CG-CB 3.83Å; E339-M418 WeakPolarHBondContact OE1-CB 3.21Å; E339-M418 PolarHBondContact OE1-N 3.02Å; G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 3.4Å
419F94.9Very high82.6Confident3 Ų362.4 Ų62.41%0.01333%0.326CS..THydrogen-bonded Turntrans-118.27179.6-61.7-60.5000113.4Q253 L256 L257 L260 W313 L320 S343 S417 L421Q253-F419 HydrophobicContact CG-CE1 3.86Å; Q253-F419 HydrophobicContact CG-CZ 4.08Å; L256-F419 HydrophobicContact CB-CD1 4.26Å; L256-F419 HydrophobicContact CB-CE1 3.64Å; L256-F419 HydrophobicContact CB-CZ 4.39Å; L256-F419 HydrophobicContact CD1-CE1 4.22Å; L256-F419 HydrophobicContact CD1-CZ 4.15Å; L257-F419 HydrophobicContact CB-CD1 4.18Å; L260-F419 HydrophobicContact CD1-CB 4.02Å; W313-F419 HydrophobicContact CH2-CD1 4.31Å; W313-F419 HydrophobicContact CH2-CD2 4.15Å; W313-F419 HydrophobicContact CH2-CE2 4.4Å; W313-F419 HydrophobicContact CH2-CG 4.08Å; W313-F419 AromaticContact CZ2-CD1 3.96Å; W313-F419 HydrophobicContact CZ2-CD1 3.96Å; W313-F419 HydrophobicContact CZ2-CE1 4.26Å; W313-F419 HydrophobicContact CZ2-CG 4.15Å; L320-F419 HydrophobicContact CD2-CZ 4.09Å; S343-F419 WeakPolarHBondContact OG-CD2 3.43Å; S417-F419 VanDerWaalsContact C-N 3.26Å; S417-F419 PolarHBondContact O-N 2.76Å; F419-L421 VanDerWaalsContact C-N 3.32Å; F419-L421 HydrophobicContact CB-CD1 4.07Å; F419-L421 HydrophobicContact CB-CG 4.09Å; F419-L421 PolarHBondContact O-N 3.43Å
420N93.2Very high84.6Confident123 Ų12359.4 Ų59.466%0.65831%0.31SS*.THydrogen-bonded Turntrans53.644.8-174-64-44.9000113.2L257 G416 S417L257-N420 HydrophobicContact CD1-CB 4.45Å; L257-N420 WeakPolarHBondContact CD1-ND2 3.25Å; G416-N420 WeakPolarHBondContact O-CA 3.4Å; G416-N420 PolarHBondContact O-N 3.44Å; S417-N420 PolarHBondContact O-N 3.3Å; S417-N420 PolarHBondContact O-OD1 3.24Å
421L93.6Very high86.6Confident28 Ų2852.6 Ų52.615%0.14728%0.278CS..  trans-110.3147.9178.5-64177000111L260 H346 V347 G416 F419 L423L260-L421 HydrophobicContact CD1-CD1 4.02Å; L260-L421 HydrophobicContact CD1-CD2 4.27Å; L260-L421 HydrophobicContact CD1-CG 4.28Å; H346-L421 HydrophobicContact CB-CD1 4.39Å; V347-L421 HydrophobicContact CG2-CD1 4.16Å; G416-L421 WeakPolarHBondContact CA-O 3.48Å; G416-L421 PolarHBondContact O-N 2.84Å; F419-L421 VanDerWaalsContact C-N 3.32Å; F419-L421 HydrophobicContact CB-CD1 4.07Å; F419-L421 HydrophobicContact CB-CG 4.09Å; F419-L421 PolarHBondContact O-N 3.43Å; L421-L423 HydrophobicContact CB-CD2 3.92Å; L421-L423 HydrophobicContact CB-CG 4.42Å; L421-L423 PolarHBondContact O-N 3.43Å
422E91.7Very high88Confident151 Ų15149.6 Ų49.671%0.70626%0.263SS*.  trans-8793.2173.7-66.8-171.6168.800109.9P425E422-P425 WeakPolarHBondContact O-CD 3.15Å
423L92.7Very high88.2Confident2 Ų250.1 Ų50.11%0.0126%0.261CS..  trans-86.3-7.2-176.4-56.5-177.7000113.9E339 L342 H346 F415 L421 I426 M427E339-L423 HydrophobicContact CG-CD1 3.97Å; L342-L423 HydrophobicContact CB-CD1 4.08Å; L342-L423 HydrophobicContact CB-CD2 4.34Å; H346-L423 HydrophobicContact CB-CD2 4.22Å; F415-L423 HydrophobicContact CD1-CB 4.13Å; F415-L423 HydrophobicContact CD1-CD1 4.14Å; F415-L423 HydrophobicContact CE1-CB 3.94Å; F415-L423 HydrophobicContact CE1-CD1 3.72Å; F415-L423 HydrophobicContact CE1-CG 4.5Å; F415-L423 HydrophobicContact CZ-CD1 4.22Å; L421-L423 HydrophobicContact CB-CD2 3.92Å; L421-L423 HydrophobicContact CB-CG 4.42Å; L421-L423 PolarHBondContact O-N 3.43Å; L423-I426 PolarHBondContact O-N 3.26Å; L423-M427 PolarHBondContact O-N 3.48Å
424Q88.4Confident87.4Confident84 Ų8452.4 Ų52.439%0.39327%0.27SS..Hα-helixtrans-55.7-44.5-178.6174.3175.4-1.900113.7I426 M427 T428 W447Q424-I426 PolarHBondContact O-N 3.25Å; Q424-M427 PolarHBondContact O-N 2.91Å; Q424-T428 WeakPolarHBondContact O-CB 3.2Å; Q424-T428 PolarHBondContact O-N 3.04Å; Q424-T428 PolarHBondContact O-OG1 3.48Å; Q424-W447 HydrophobicContact CB-CD2 4.43Å; Q424-W447 HydrophobicContact CB-CZ2 4.07Å; Q424-W447 HydrophobicContact CG-CD2 4.03Å; Q424-W447 HydrophobicContact CG-CG 3.9Å
425P89.6Confident85.5Confident84 Ų8451.8 Ų51.855%0.54527%0.267SS..Hα-helixtrans-60.2-44.8-180-24.935.9000112.6E422 T428 E429E422-P425 WeakPolarHBondContact O-CD 3.15Å; P425-T428 PolarHBondContact O-N 3.08Å; P425-E429 WeakPolarHBondContact O-CB 3.41Å; P425-E429 PolarHBondContact O-N 3.48Å
426I91.8Very high82.9Confident14 Ų1459.9 Ų59.97%0.07231%0.311CS..Hα-helixtrans-66.3-44.2179.7-58.2168.3000110L342 I345 H346 L423 Q424 T428 E429 L430L342-I426 HydrophobicContact CD2-CG2 3.9Å; I345-I426 HydrophobicContact CG2-CD1 4.15Å; I345-I426 HydrophobicContact CG2-CG2 4.02Å; H346-I426 HydrophobicContact CB-CD1 3.46Å; H346-I426 VanDerWaalsContact CB-CD1 3.46Å; L423-I426 PolarHBondContact O-N 3.26Å; Q424-I426 PolarHBondContact O-N 3.25Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.33Å; I426-E429 PolarHBondContact O-N 3.32Å; I426-L430 HydrophobicContact CG2-CD1 4.27Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 3.42Å
427M90.5Very high80.2Confident3 Ų364.5 Ų64.52%0.01534%0.338CS..Hα-helixtrans-63.3-40178.3-168.965179.600111.9L342 L423 Q424 L430 L431 L455 I471L342-M427 HydrophobicContact CD1-SD 3.99Å; L423-M427 PolarHBondContact O-N 3.48Å; Q424-M427 PolarHBondContact O-N 2.91Å; M427-L430 PolarHBondContact O-N 3.45Å; M427-L431 HydrophobicContact CE-CD1 4.24Å; M427-L431 HydrophobicContact CE-CG 4.47Å; M427-L431 HydrophobicContact CG-CD1 4.18Å; M427-L431 VanDerWaalsContact O-CG 3.28Å; M427-L431 WeakPolarHBondContact O-CG 3.37Å; M427-L431 PolarHBondContact O-N 2.98Å; M427-L455 HydrophobicContact CE-CB 4.36Å; M427-L455 HydrophobicContact CE-CD1 3.43Å; M427-L455 VanDerWaalsContact CE-CD1 3.43Å; M427-I471 HydrophobicContact CE-CD1 3.67Å; M427-I471 HydrophobicContact SD-CD1 4.43Å
428T88.6Confident77.3Confident53 Ų5373 Ų7333%0.32537%0.371SS..Hα-helixtrans-64.3-46176.9-53.30000110.4Q424 P425 I426 L430 L431 D432Q424-T428 WeakPolarHBondContact O-CB 3.2Å; Q424-T428 PolarHBondContact O-N 3.04Å; Q424-T428 PolarHBondContact O-OG1 3.48Å; P425-T428 PolarHBondContact O-N 3.08Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.33Å; T428-L430 VanDerWaalsContact C-N 3.31Å; T428-L430 PolarHBondContact O-N 3.2Å; T428-L431 PolarHBondContact O-N 3.03Å; T428-L431 VanDerWaalsContact O-N 3.07Å; T428-D432 WeakPolarHBondContact O-CB 3.48Å; T428-D432 PolarHBondContact O-N 3.2Å
429E90.4Very high74.3Confident94 Ų9475.7 Ų75.744%0.43939%0.39SS..Hα-helixtrans-57.6-43175.6-169.2-167.1175.200112P425 I426 L431 D432 N474 K478P425-E429 WeakPolarHBondContact O-CB 3.41Å; P425-E429 PolarHBondContact O-N 3.48Å; I426-E429 PolarHBondContact O-N 3.32Å; E429-L431 VanDerWaalsContact C-N 3.29Å; E429-L431 PolarHBondContact O-N 3.48Å; E429-D432 PolarHBondContact O-N 3.25Å; E429-N474 PolarHBondContact O-ND2 2.76Å; E429-N474 VanDerWaalsContact O-ND2 3.08Å; E429-K478 WeakPolarHBondContact OE1-CE 3.41Å; E429-K478 IonicContact OE1-NZ 3.92Å; E429-K478 PolarHBondContact OE1-NZ 3.16Å; E429-K478 IonicContact OE2-NZ 2.84Å; E429-K478 PolarHBondContact OE2-NZ 2.76Å
430L91.6Very high71.1Confident1 Ų181.6 Ų81.61%0.00543%0.432CS..Hα-helixtrans-68.8-25.6177.5-68.4178.6000113.3L342 Y370 L373 I426 M427 T428 R470 I471 N474L342-L430 HydrophobicContact CD2-CD1 3.61Å; Y370-L430 HydrophobicContact CE1-CD2 4.43Å; L373-L430 HydrophobicContact CD1-CD1 4.44Å; I426-L430 HydrophobicContact CG2-CD1 4.27Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 3.42Å; M427-L430 PolarHBondContact O-N 3.45Å; T428-L430 VanDerWaalsContact C-N 3.31Å; T428-L430 PolarHBondContact O-N 3.2Å; L430-R470 CarbonylContact O-C 3.6Å; L430-I471 HydrophobicContact CB-CG1 4.26Å; L430-I471 HydrophobicContact CD1-CG2 4.47Å; L430-I471 PolarHBondContact O-N 3.48Å; L430-N474 VanDerWaalsContact C-ND2 3.28Å; L430-N474 HydrophobicContact CD2-CB 3.96Å; L430-N474 PolarHBondContact O-ND2 3.07Å
431L88.8Confident68.2Low14 Ų1481.2 Ų81.27%0.07343%0.429CS..Hα-helixtrans-87.3-25.1176.8-70.7172000113.3M427 T428 E429 Y433 I445 F451 L455 R470 I471M427-L431 HydrophobicContact CE-CD1 4.24Å; M427-L431 HydrophobicContact CE-CG 4.47Å; M427-L431 HydrophobicContact CG-CD1 4.18Å; M427-L431 VanDerWaalsContact O-CG 3.28Å; M427-L431 WeakPolarHBondContact O-CG 3.37Å; M427-L431 PolarHBondContact O-N 2.98Å; T428-L431 PolarHBondContact O-N 3.03Å; T428-L431 VanDerWaalsContact O-N 3.07Å; E429-L431 VanDerWaalsContact C-N 3.29Å; E429-L431 PolarHBondContact O-N 3.48Å; L431-Y433 PolarHBondContact O-N 2.87Å; L431-I445 HydrophobicContact CB-CD1 4.39Å; L431-F451 HydrophobicContact CD1-CE1 4.22Å; L431-L455 HydrophobicContact CD1-CD1 4.09Å; L431-L455 HydrophobicContact CD2-CD1 3.79Å; L431-R470 WeakPolarHBondContact O-CD 3.42Å; L431-I471 HydrophobicContact CD2-CD1 4.12Å; L431-I471 HydrophobicContact CD2-CG1 3.96Å
432D83.4Confident65.3Low78 Ų7884.2 Ų84.242%0.41745%0.452SS..  trans-80.668.1176.9-79.4-14.3000111.1T428 E429 N434T428-D432 WeakPolarHBondContact O-CB 3.48Å; T428-D432 PolarHBondContact O-N 3.2Å; E429-D432 PolarHBondContact O-N 3.25Å; D432-N434 PolarHBondContact O-N 3.41Å
433Y63.5Low62.9Low46 Ų4682.4 Ų82.418%0.1845%0.447CS..  trans-85.882.1171.5-165.4-102.7000110.8L431 F435 L473 N474L431-Y433 PolarHBondContact O-N 2.87Å; Y433-F435 HydrophobicContact CE1-CB 4.39Å; Y433-F435 AromaticContact CE1-CD2 3.48Å; Y433-F435 HydrophobicContact CE1-CD2 3.48Å; Y433-F435 VanDerWaalsContact CE1-CD2 3.48Å; Y433-F435 HydrophobicContact CE1-CE2 4.22Å; Y433-F435 HydrophobicContact CE1-CG 4.41Å; Y433-F435 AromaticContact CZ-CD2 3.81Å; Y433-F435 PolarHBondContact O-N 3.26Å; Y433-F435 WeakPolarHBondContact OH-CE2 3.49Å; Y433-L473 HydrophobicContact CD1-CB 4.36Å; Y433-L473 HydrophobicContact CD1-CD1 3.93Å; Y433-L473 HydrophobicContact CD2-CB 3.84Å; Y433-L473 HydrophobicContact CE1-CB 4.02Å; Y433-L473 HydrophobicContact CE1-CD1 3.39Å; Y433-L473 HydrophobicContact CE1-CG 4.38Å; Y433-L473 HydrophobicContact CE2-CB 3.52Å; Y433-L473 HydrophobicContact CE2-CD1 4.43Å; Y433-L473 HydrophobicContact CG-CB 4.27Å; Y433-N474 HydrophobicContact CD2-CB 4.31Å; Y433-N474 VanDerWaalsContact CD2-OD1 3.29Å; Y433-N474 WeakPolarHBondContact CD2-OD1 3.47Å
434N54.8Low60.8Low135 Ų13587.8 Ų87.872%0.72248%0.48SS*.  trans-85.691.9172.7-82.7-26.9000110.6D432 N436D432-N434 PolarHBondContact O-N 3.41Å; N434-N436 PolarHBondContact O-N 2.88Å
435F44.1Very low59Low112 Ų11286.2 Ų86.249%0.49147%0.474SS..  trans-66119.4162.6-141.9-97.8000107.9Y433 V437Y433-F435 HydrophobicContact CE1-CB 4.39Å; Y433-F435 AromaticContact CE1-CD2 3.48Å; Y433-F435 HydrophobicContact CE1-CD2 3.48Å; Y433-F435 VanDerWaalsContact CE1-CD2 3.48Å; Y433-F435 HydrophobicContact CE1-CE2 4.22Å; Y433-F435 HydrophobicContact CE1-CG 4.41Å; Y433-F435 AromaticContact CZ-CD2 3.81Å; Y433-F435 PolarHBondContact O-N 3.26Å; Y433-F435 WeakPolarHBondContact OH-CE2 3.49Å; F435-V437 WeakPolarHBondContact O-CG2 3.47Å; F435-V437 PolarHBondContact O-N 3.28Å
436N33Very low57.3Low175 Ų17587 Ų8794%0.93648%0.479SS*.SBendtrans-8.847167-99.2-18.3000120.4N434N434-N436 PolarHBondContact O-N 2.88Å
437V35.3Very low55.6Low101 Ų10190.7 Ų90.761%0.61249%0.492SS*.  trans-114.5118.1172.4-174.80000105.6F435 S439F435-V437 WeakPolarHBondContact O-CG2 3.47Å; F435-V437 PolarHBondContact O-N 3.28Å; V437-S439 WeakPolarHBondContact CG1-OG 3.46Å; V437-S439 PolarHBondContact O-N 2.97Å
438K29.9Very low54.6Low219 Ų21994.9 Ų94.995%0.95252%0.515SS*.  trans-62.953.4165.8-66.9177.6173.8179.30111.1
439S31.2Very low53.9Low69 Ų6994.4 Ų94.448%0.48351%0.51SS..  trans-118.6101.3170.257.40000107.6V437 I441V437-S439 WeakPolarHBondContact CG1-OG 3.46Å; V437-S439 PolarHBondContact O-N 2.97Å; S439-I441 PolarHBondContact O-N 3.44Å
440S26.4Very low53.4Low128 Ų12892.1 Ų92.190%0.89550%0.501SS*.  trans-65.864.2175.8-45.60000112
441I33Very low53Low115 Ų11594.1 Ų94.159%0.5951%0.509SS*.  trans-123.678.2166.4-53.3175.2000106.2S439 N443S439-I441 PolarHBondContact O-N 3.44Å; I441-N443 WeakPolarHBondContact CG2-OD1 3.15Å; I441-N443 PolarHBondContact O-N 3.21Å
442S32.9Very low52.9Low90 Ų9093.6 Ų93.663%0.62951%0.507SS*.  trans-6688.4155.766.20000106V444S442-V444 PolarHBondContact O-N 3.43Å
443N41.5Very low53.1Low114 Ų11490.8 Ų90.861%0.6149%0.49SS*.  trans-68.185.9160.8-81.9-14.1000105.4I441 I445I441-N443 WeakPolarHBondContact CG2-OD1 3.15Å; I441-N443 PolarHBondContact O-N 3.21Å; N443-I445 VanDerWaalsContact C-N 3.31Å; N443-I445 PolarHBondContact O-N 3.34Å
444V47.5Very low54.3Low114 Ų11493 Ų9369%0.69150%0.501SS*.  trans-58.1100.2172.1179.20000105.5S442 P446S442-V444 PolarHBondContact O-N 3.43Å; V444-P446 VanDerWaalsContact O-CD 3.29Å; V444-P446 WeakPolarHBondContact O-CD 3.47Å
445I52.1Low56.1Low51 Ų5186.6 Ų86.626%0.26247%0.467SS..  trans-66.3120.1178.9-58.7176000106L431 N443 W447 F451L431-I445 HydrophobicContact CB-CD1 4.39Å; N443-I445 VanDerWaalsContact C-N 3.31Å; N443-I445 PolarHBondContact O-N 3.34Å; I445-W447 PolarHBondContact O-N 2.89Å; I445-F451 HydrophobicContact CD1-CE1 4.4Å; I445-F451 HydrophobicContact CG2-CD1 3.67Å; I445-F451 HydrophobicContact CG2-CE1 3.42Å; I445-F451 VanDerWaalsContact CG2-CE1 3.42Å; I445-F451 HydrophobicContact CG2-CE2 4.45Å; I445-F451 HydrophobicContact CG2-CG 4.29Å; I445-F451 HydrophobicContact CG2-CZ 3.86Å
446P52.3Low58.4Low102 Ų10281.3 Ų81.366%0.66244%0.444SS*.  trans-59.3117.2-178.9-21.531.9000109.5V444 N448V444-P446 VanDerWaalsContact O-CD 3.29Å; V444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-N448 PolarHBondContact O-N 2.9Å
447W57.1Low61.3Low90 Ų9075.3 Ų75.334%0.34141%0.408SS..  trans-68.8102.8175.4-171.684.4000108.7Q424 I445 I452Q424-W447 HydrophobicContact CB-CD2 4.43Å; Q424-W447 HydrophobicContact CB-CZ2 4.07Å; Q424-W447 HydrophobicContact CG-CD2 4.03Å; Q424-W447 HydrophobicContact CG-CG 3.9Å; I445-W447 PolarHBondContact O-N 2.89Å; W447-I452 HydrophobicContact CZ2-CD1 4.25Å
448N69.6Low64.2Low92 Ų9271.1 Ų71.149%0.49238%0.383SS..  trans-130.5140.3168.2-172.5-3.2000107.6P446 D450 F451 I452P446-N448 PolarHBondContact O-N 2.9Å; N448-D450 PolarHBondContact O-N 3.27Å; N448-D450 VanDerWaalsContact O-N 3.08Å; N448-D450 PolarHBondContact OD1-N 3.28Å; N448-F451 PolarHBondContact O-N 3.39Å; N448-I452 PolarHBondContact O-N 3.13Å
449N74Confident67.2Low43 Ų4360.7 Ų60.723%0.2334%0.338CS..Hα-helixtrans-52.3-31.7175.6-74.1-35.9000111.4F415 F451 I452 Y453F415-N449 PolarHBondContact N-OD1 3.14Å; N449-F451 VanDerWaalsContact C-N 3.33Å; N449-F451 PolarHBondContact O-N 3.34Å; N449-I452 PolarHBondContact O-N 3.46Å; N449-Y453 VanDerWaalsContact O-CB 3.25Å; N449-Y453 WeakPolarHBondContact O-CB 3.5Å; N449-Y453 PolarHBondContact O-N 3.45Å
450D79.4Confident70Confident46 Ų4660.6 Ų60.625%0.24633%0.334CS..Hα-helixtrans-57.5-42.1172.9176.151.5000112.8L409 N448 Y453 K454L409-D450 HydrophobicContact CD2-CB 4.39Å; L409-D450 WeakPolarHBondContact CD2-OD1 3.21Å; N448-D450 PolarHBondContact O-N 3.27Å; N448-D450 VanDerWaalsContact O-N 3.08Å; N448-D450 PolarHBondContact OD1-N 3.28Å; D450-Y453 PolarHBondContact O-N 3.29Å; D450-K454 WeakPolarHBondContact O-CG 3.32Å; D450-K454 PolarHBondContact O-N 2.93Å; D450-K454 WeakPolarHBondContact OD1-CE 3.48Å; D450-K454 IonicContact OD1-NZ 2.95Å; D450-K454 PolarHBondContact OD1-NZ 2.89Å; D450-K454 WeakPolarHBondContact OD2-CE 3.45Å; D450-K454 IonicContact OD2-NZ 2.74Å; D450-K454 PolarHBondContact OD2-NZ 3.35Å
451F83.2Confident73Confident42 Ų4257.4 Ų57.418%0.18431%0.307CS..Hα-helixtrans-70.3-41.6178.6-172.2-109.3000111.9L431 I445 N448 N449 Y453 K454 L455L431-F451 HydrophobicContact CD1-CE1 4.22Å; I445-F451 HydrophobicContact CD1-CE1 4.4Å; I445-F451 HydrophobicContact CG2-CD1 3.67Å; I445-F451 HydrophobicContact CG2-CE1 3.42Å; I445-F451 VanDerWaalsContact CG2-CE1 3.42Å; I445-F451 HydrophobicContact CG2-CE2 4.45Å; I445-F451 HydrophobicContact CG2-CG 4.29Å; I445-F451 HydrophobicContact CG2-CZ 3.86Å; N448-F451 PolarHBondContact O-N 3.39Å; N449-F451 VanDerWaalsContact C-N 3.33Å; N449-F451 PolarHBondContact O-N 3.34Å; F451-Y453 VanDerWaalsContact C-N 3.28Å; F451-Y453 PolarHBondContact O-N 2.99Å; F451-K454 WeakPolarHBondContact O-CB 3.12Å; F451-K454 PolarHBondContact O-N 2.96Å; F451-L455 HydrophobicContact CD1-CD1 3.82Å; F451-L455 HydrophobicContact CD1-CG 4.26Å; F451-L455 HydrophobicContact CE1-CD1 3.42Å; F451-L455 VanDerWaalsContact CE1-CD1 3.42Å; F451-L455 HydrophobicContact CE1-CD2 4.18Å; F451-L455 HydrophobicContact CE1-CG 3.9Å; F451-L455 HydrophobicContact CZ-CD1 4.07Å; F451-L455 HydrophobicContact CZ-CD2 3.96Å; F451-L455 HydrophobicContact CZ-CG 4.11Å; F451-L455 WeakPolarHBondContact O-CG 3.35Å; F451-L455 PolarHBondContact O-N 3.44Å
452I86.2Confident75.8Confident4 Ų455.4 Ų55.42%0.02129%0.293CS..Hα-helixtrans-59.6-45.2174.5-60.7176.1000110.1F415 W447 N448 N449 K454 L455 V456F415-I452 HydrophobicContact CB-CD1 3.87Å; F415-I452 HydrophobicContact CB-CG2 4.41Å; F415-I452 HydrophobicContact CD1-CD1 3.85Å; F415-I452 HydrophobicContact CD1-CG2 4.17Å; F415-I452 HydrophobicContact CD2-CG2 3.75Å; F415-I452 HydrophobicContact CE1-CG2 4.36Å; F415-I452 HydrophobicContact CE2-CG2 3.98Å; F415-I452 HydrophobicContact CG-CD1 3.96Å; F415-I452 HydrophobicContact CG-CG2 3.85Å; F415-I452 HydrophobicContact CZ-CG2 4.27Å; W447-I452 HydrophobicContact CZ2-CD1 4.25Å; N448-I452 PolarHBondContact O-N 3.13Å; N449-I452 PolarHBondContact O-N 3.46Å; I452-K454 PolarHBondContact O-N 3.23Å; I452-L455 WeakPolarHBondContact O-CB 3.2Å; I452-L455 PolarHBondContact O-N 3.07Å; I452-V456 PolarHBondContact O-N 3.06Å; I452-V456 VanDerWaalsContact O-N 3.13Å
453Y87.4Confident78.5Confident18 Ų1857 Ų577%0.07129%0.29CS..Hα-helixtrans-59.9-35.5178.7-170.6-104.5000112.6Y335 L409 V412 N449 D450 F451 V456 R457Y335-Y453 AromaticContact CD2-CD2 3.96Å; Y335-Y453 HydrophobicContact CD2-CD2 3.96Å; Y335-Y453 HydrophobicContact CE2-CD2 4.25Å; L409-Y453 HydrophobicContact CD1-CD1 3.54Å; L409-Y453 HydrophobicContact CD1-CE1 3.36Å; L409-Y453 HydrophobicContact CG-CD1 4.42Å; L409-Y453 HydrophobicContact CG-CE1 4.41Å; V412-Y453 HydrophobicContact CG1-CD2 4.18Å; V412-Y453 HydrophobicContact CG2-CD2 3.79Å; V412-Y453 HydrophobicContact CG2-CE2 3.5Å; V412-Y453 VanDerWaalsContact CG2-CE2 3.5Å; N449-Y453 VanDerWaalsContact O-CB 3.25Å; N449-Y453 WeakPolarHBondContact O-CB 3.5Å; N449-Y453 PolarHBondContact O-N 3.45Å; D450-Y453 PolarHBondContact O-N 3.29Å; F451-Y453 VanDerWaalsContact C-N 3.28Å; F451-Y453 PolarHBondContact O-N 2.99Å; Y453-V456 WeakPolarHBondContact O-CG2 3.34Å; Y453-R457 PolarHBondContact OH-NH1 3.45Å; Y453-R457 PolarHBondContact OH-NH2 3.39Å
454K90.1Very high80.9Confident94 Ų9452 Ų5241%0.40926%0.263SS..Hα-helixtrans-68.7-33.3171.7-72.4165.9178.9164.20113.1D450 F451 I452 T464D450-K454 WeakPolarHBondContact O-CG 3.32Å; D450-K454 PolarHBondContact O-N 2.93Å; D450-K454 WeakPolarHBondContact OD1-CE 3.48Å; D450-K454 IonicContact OD1-NZ 2.95Å; D450-K454 PolarHBondContact OD1-NZ 2.89Å; D450-K454 WeakPolarHBondContact OD2-CE 3.45Å; D450-K454 IonicContact OD2-NZ 2.74Å; D450-K454 PolarHBondContact OD2-NZ 3.35Å; F451-K454 WeakPolarHBondContact O-CB 3.12Å; F451-K454 PolarHBondContact O-N 2.96Å; I452-K454 PolarHBondContact O-N 3.23Å; K454-T464 HydrophobicContact CB-CG2 3.93Å
455L92.3Very high83.2Confident0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-76.9-21.9-179.9-68.8177.8000114.2M427 L431 F451 I452 R457 I468 I471M427-L455 HydrophobicContact CE-CB 4.36Å; M427-L455 HydrophobicContact CE-CD1 3.43Å; M427-L455 VanDerWaalsContact CE-CD1 3.43Å; L431-L455 HydrophobicContact CD1-CD1 4.09Å; L431-L455 HydrophobicContact CD2-CD1 3.79Å; F451-L455 HydrophobicContact CD1-CD1 3.82Å; F451-L455 HydrophobicContact CD1-CG 4.26Å; F451-L455 HydrophobicContact CE1-CD1 3.42Å; F451-L455 VanDerWaalsContact CE1-CD1 3.42Å; F451-L455 HydrophobicContact CE1-CD2 4.18Å; F451-L455 HydrophobicContact CE1-CG 3.9Å; F451-L455 HydrophobicContact CZ-CD1 4.07Å; F451-L455 HydrophobicContact CZ-CD2 3.96Å; F451-L455 HydrophobicContact CZ-CG 4.11Å; F451-L455 WeakPolarHBondContact O-CG 3.35Å; F451-L455 PolarHBondContact O-N 3.44Å; I452-L455 WeakPolarHBondContact O-CB 3.2Å; I452-L455 PolarHBondContact O-N 3.07Å; L455-R457 VanDerWaalsContact C-N 3.29Å; L455-I468 HydrophobicContact CD2-CG1 4.07Å; L455-I468 WeakPolarHBondContact O-CG1 3.44Å; L455-I471 HydrophobicContact CD1-CD1 4.36Å
456V92.7Very high85.2Confident0 Ų044.8 Ų44.80%022%0.223CC..THydrogen-bonded Turntrans-9212176.7-57.60000113.1C333 Y334 Y335 F338 I452 Y453C333-V456 CarbonylContact C-O 3.46Å; C333-V456 WeakPolarHBondContact CA-O 3.36Å; Y334-V456 PolarHBondContact N-O 3.44Å; Y335-V456 HydrophobicContact CD2-CG2 3.97Å; F338-V456 HydrophobicContact CB-CG1 3.92Å; F338-V456 HydrophobicContact CD1-CG1 3.95Å; F338-V456 HydrophobicContact CD2-CB 4.38Å; F338-V456 HydrophobicContact CD2-CG1 3.86Å; F338-V456 HydrophobicContact CE1-CG1 4.42Å; F338-V456 HydrophobicContact CE2-CG1 4.31Å; F338-V456 HydrophobicContact CG-CG1 3.64Å; I452-V456 PolarHBondContact O-N 3.06Å; I452-V456 VanDerWaalsContact O-N 3.13Å; Y453-V456 WeakPolarHBondContact O-CG2 3.34Å
457R93.8Very high87.1Confident49 Ų4940 Ų4019%0.18519%0.192CC..SBendtrans-125.5159.3178.2-72.7178.5165.3-161.4-16.1110.3C333 L380 E408 Y453 L455C333-R457 HydrophobicContact CB-CG 4.01Å; C333-R457 PolarHBondContact SG-NE 3.28Å; C333-R457 VanDerWaalsContact SG-NE 3.4Å; L380-R457 VanDerWaalsContact CD2-C 3.45Å; E408-R457 IonicContact OE2-CZ 3.87Å; E408-R457 IonicContact OE2-NH1 3.15Å; E408-R457 PolarHBondContact OE2-NH1 3.4Å; E408-R457 IonicContact OE2-NH2 2.63Å; E408-R457 PolarHBondContact OE2-NH2 3.42Å; Y453-R457 PolarHBondContact OH-NH1 3.45Å; Y453-R457 PolarHBondContact OH-NH2 3.39Å; L455-R457 VanDerWaalsContact C-N 3.29Å
458P95.1Very high88.9Confident13 Ų1335.8 Ų35.88%0.08418%0.176CC..  trans-54.1128.5174.9-29.835.4000110.6N332 L380 K383N332-P458 HydrophobicContact CB-CG 3.69Å; N332-P458 WeakPolarHBondContact O-CD 3.41Å; L380-P458 HydrophobicContact CD2-CG 4.2Å; K383-P458 HydrophobicContact CB-CB 4.11Å; K383-P458 HydrophobicContact CB-CG 3.86Å; K383-P458 HydrophobicContact CD-CG 4.44Å
459P93.8Very high90.2Very high1 Ų132.3 Ų32.31%0.00616%0.157CC..  trans-70.2137-17827.2-33.1000110.8L380 L381 T464 A465 I468 F509L380-P459 VanDerWaalsContact O-CD 3.3Å; L380-P459 WeakPolarHBondContact O-CD 3.35Å; L381-P459 HydrophobicContact CD1-CG 3.88Å; P459-T464 WeakPolarHBondContact CA-OG1 3.45Å; P459-T464 VanDerWaalsContact CB-OG1 3.23Å; P459-T464 WeakPolarHBondContact CB-OG1 3.47Å; P459-A465 HydrophobicContact CB-CB 3.81Å; P459-A465 VanDerWaalsContact CB-N 3.34Å; P459-A465 HydrophobicContact CG-CB 3.98Å; P459-I468 HydrophobicContact CB-CD1 4.1Å; P459-I468 HydrophobicContact CG-CD1 3.92Å; P459-F509 HydrophobicContact CB-CE1 4.47Å; P459-F509 HydrophobicContact CB-CZ 4.38Å; P459-F509 HydrophobicContact CG-CE1 4.34Å; P459-F509 HydrophobicContact CG-CE2 4.29Å; P459-F509 HydrophobicContact CG-CZ 3.78Å
460T90.5Very high91.2Very high67 Ų6734 Ų3441%0.41116%0.16SC..SBendtrans-106.6-4.4176.961.90000112.8
461N89.6Confident92Very high60 Ų6031.8 Ų31.832%0.32115%0.148SC..SBendtrans-148.2171.3-179.760.233.9000111.3E463 T464 A465N461-E463 VanDerWaalsContact C-N 3.32Å; N461-E463 WeakPolarHBondContact CB-OE2 3.03Å; N461-E463 PolarHBondContact O-N 3.23Å; N461-E463 PolarHBondContact OD1-N 2.82Å; N461-E463 PolarHBondContact OD1-OE2 3.19Å; N461-T464 PolarHBondContact O-OG1 3.43Å; N461-T464 VanDerWaalsContact O-OG1 3.13Å; N461-T464 WeakPolarHBondContact OD1-CB 3.4Å; N461-T464 WeakPolarHBondContact OD1-CG2 3.36Å; N461-T464 PolarHBondContact OD1-N 3.17Å; N461-T464 PolarHBondContact OD1-OG1 2.69Å; N461-A465 WeakPolarHBondContact O-CB 3.32Å; N461-A465 PolarHBondContact O-N 2.89Å; N461-A465 VanDerWaalsContact O-N 3.1Å
462Y91.2Very high92.7Very high74 Ų7429.8 Ų29.829%0.2914%0.14SC..Hα-helixtrans-63.9-36.6-178.1179.6-93.5000112.6A465 S466 M506 F509 E510Y462-A465 PolarHBondContact O-N 2.96Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 2.96Å; Y462-M506 HydrophobicContact CD2-CE 3.49Å; Y462-M506 VanDerWaalsContact CD2-CE 3.49Å; Y462-M506 HydrophobicContact CE1-CE 4.45Å; Y462-M506 HydrophobicContact CE2-CE 3.24Å; Y462-M506 HydrophobicContact CG-CE 4.25Å; Y462-F509 HydrophobicContact CD2-CB 4.2Å; Y462-F509 WeakPolarHBondContact CD2-O 2.98Å; Y462-E510 HydrophobicContact CE2-CB 4.13Å; Y462-E510 VanDerWaalsContact CE2-OE2 3.31Å; Y462-E510 WeakPolarHBondContact CE2-OE2 3.32Å; Y462-E510 PolarHBondContact OH-OE2 3.47Å
463E89.9Confident93.2Very high122 Ų12229.7 Ų29.757%0.5714%0.139SC*.Hα-helixtrans-64.2-48.4-176.1-64.872.7-159.200111.2N461 S466 G467N461-E463 VanDerWaalsContact C-N 3.32Å; N461-E463 WeakPolarHBondContact CB-OE2 3.03Å; N461-E463 PolarHBondContact O-N 3.23Å; N461-E463 PolarHBondContact OD1-N 2.82Å; N461-E463 PolarHBondContact OD1-OE2 3.19Å; E463-S466 PolarHBondContact O-N 2.95Å; E463-G467 PolarHBondContact O-N 3.01Å
464T91.5Very high93.6Very high9 Ų929.2 Ų29.26%0.05514%0.138CC..Hα-helixtrans-68.2-42.7176.7520000111.6K454 P459 N461 S466 G467 I468K454-T464 HydrophobicContact CB-CG2 3.93Å; P459-T464 WeakPolarHBondContact CA-OG1 3.45Å; P459-T464 VanDerWaalsContact CB-OG1 3.23Å; P459-T464 WeakPolarHBondContact CB-OG1 3.47Å; N461-T464 PolarHBondContact O-OG1 3.43Å; N461-T464 VanDerWaalsContact O-OG1 3.13Å; N461-T464 WeakPolarHBondContact OD1-CB 3.4Å; N461-T464 WeakPolarHBondContact OD1-CG2 3.36Å; N461-T464 PolarHBondContact OD1-N 3.17Å; N461-T464 PolarHBondContact OD1-OG1 2.69Å; T464-S466 VanDerWaalsContact C-N 3.32Å; T464-S466 PolarHBondContact O-N 3.31Å; T464-G467 PolarHBondContact O-N 3.02Å; T464-G467 VanDerWaalsContact O-N 3.16Å; T464-I468 WeakPolarHBondContact O-CG1 3.43Å; T464-I468 PolarHBondContact O-N 3.39Å
465A94.7Very high94Very high0 Ų024.7 Ų24.70%012%0.118CC..Hα-helixtrans-59.9-42.9175.100000111.5L381 P459 N461 Y462 G467 I468 F469 M506 F509L381-A465 HydrophobicContact CD1-CB 3.96Å; P459-A465 HydrophobicContact CB-CB 3.81Å; P459-A465 VanDerWaalsContact CB-N 3.34Å; P459-A465 HydrophobicContact CG-CB 3.98Å; N461-A465 WeakPolarHBondContact O-CB 3.32Å; N461-A465 PolarHBondContact O-N 2.89Å; N461-A465 VanDerWaalsContact O-N 3.1Å; Y462-A465 PolarHBondContact O-N 2.96Å; A465-G467 VanDerWaalsContact C-N 3.33Å; A465-G467 PolarHBondContact O-N 3.08Å; A465-I468 PolarHBondContact O-N 2.66Å; A465-F469 WeakPolarHBondContact O-CB 3.38Å; A465-F469 PolarHBondContact O-N 3Å; A465-M506 HydrophobicContact CB-CE 4.39Å; A465-M506 HydrophobicContact CB-SD 3.97Å; A465-F509 HydrophobicContact CB-CB 4.08Å; A465-F509 HydrophobicContact CB-CD1 3.9Å; A465-F509 HydrophobicContact CB-CD2 3.61Å; A465-F509 HydrophobicContact CB-CE1 4.2Å; A465-F509 HydrophobicContact CB-CE2 3.93Å; A465-F509 HydrophobicContact CB-CG 3.59Å; A465-F509 HydrophobicContact CB-CZ 4.21Å
466S93.9Very high94.2Very high15 Ų1524.7 Ų24.711%0.10512%0.118CC..Hα-helixtrans-64.2-37.6176.6-179.70000111.7Y462 E463 T464 F469 R470Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 2.96Å; E463-S466 PolarHBondContact O-N 2.95Å; T464-S466 VanDerWaalsContact C-N 3.32Å; T464-S466 PolarHBondContact O-N 3.31Å; S466-F469 PolarHBondContact O-N 3.48Å; S466-R470 VanDerWaalsContact O-CG 3.26Å; S466-R470 WeakPolarHBondContact O-CG 3.33Å; S466-R470 PolarHBondContact O-N 3.02Å
467G93Very high94.3Very high2 Ų228.8 Ų28.82%0.02114%0.138CC..Hα-helixtrans-63.1-48.8176.200000111.9E463 T464 A465 F469 R470 I471E463-G467 PolarHBondContact O-N 3.01Å; T464-G467 PolarHBondContact O-N 3.02Å; T464-G467 VanDerWaalsContact O-N 3.16Å; A465-G467 VanDerWaalsContact C-N 3.33Å; A465-G467 PolarHBondContact O-N 3.08Å; G467-F469 VanDerWaalsContact C-N 3.32Å; G467-F469 PolarHBondContact O-N 3.4Å; G467-R470 PolarHBondContact O-N 3.1Å; G467-I471 WeakPolarHBondContact O-CG1 3.47Å; G467-I471 PolarHBondContact O-N 3.31Å; G467-I471 VanDerWaalsContact O-N 3.12Å
468I95.7Very high94.4Very high1 Ų127.9 Ų27.91%0.00514%0.136CC..Hα-helixtrans-61.1-42.9176-63.7170.3000110.7S377 L380 L381 L455 P459 T464 A465 R470 I471 I472S377-I468 WeakPolarHBondContact O-CG2 3.41Å; L380-I468 HydrophobicContact CB-CD1 4.29Å; L381-I468 HydrophobicContact CB-CG2 4.28Å; L455-I468 HydrophobicContact CD2-CG1 4.07Å; L455-I468 WeakPolarHBondContact O-CG1 3.44Å; P459-I468 HydrophobicContact CB-CD1 4.1Å; P459-I468 HydrophobicContact CG-CD1 3.92Å; T464-I468 WeakPolarHBondContact O-CG1 3.43Å; T464-I468 PolarHBondContact O-N 3.39Å; A465-I468 PolarHBondContact O-N 2.66Å; I468-R470 VanDerWaalsContact C-N 3.34Å; I468-R470 PolarHBondContact O-N 3.47Å; I468-I471 WeakPolarHBondContact O-CB 3.47Å; I468-I471 PolarHBondContact O-N 3.24Å; I468-I472 HydrophobicContact CG2-CD1 4.09Å; I468-I472 WeakPolarHBondContact O-CG1 3.26Å; I468-I472 PolarHBondContact O-N 2.78Å
469F96.6Very high94.5Very high19 Ų1927.3 Ų27.38%0.08313%0.132CC..Hα-helixtrans-60.3-40.4177.1-179.9-105.5000112.7A465 S466 G467 I472 L473 A502 Y503 M506A465-F469 WeakPolarHBondContact O-CB 3.38Å; A465-F469 PolarHBondContact O-N 3Å; S466-F469 PolarHBondContact O-N 3.48Å; G467-F469 VanDerWaalsContact C-N 3.32Å; G467-F469 PolarHBondContact O-N 3.4Å; F469-I472 PolarHBondContact O-N 3.4Å; F469-L473 HydrophobicContact CD1-CD1 4.1Å; F469-L473 HydrophobicContact CD1-CG 4.39Å; F469-L473 HydrophobicContact CE1-CD1 3.35Å; F469-L473 HydrophobicContact CE1-CG 3.95Å; F469-L473 HydrophobicContact CE2-CD1 4.32Å; F469-L473 HydrophobicContact CE2-CD2 4.18Å; F469-L473 HydrophobicContact CE2-CG 4.18Å; F469-L473 HydrophobicContact CZ-CD1 3.48Å; F469-L473 VanDerWaalsContact CZ-CD1 3.48Å; F469-L473 HydrophobicContact CZ-CD2 4.02Å; F469-L473 HydrophobicContact CZ-CG 3.83Å; F469-L473 WeakPolarHBondContact O-CG 3.49Å; F469-L473 PolarHBondContact O-N 3.49Å; F469-A502 HydrophobicContact CD2-CB 3.92Å; F469-A502 HydrophobicContact CE2-CB 3.74Å; F469-Y503 HydrophobicContact CE1-CE1 4.28Å; F469-Y503 HydrophobicContact CE2-CD1 4.19Å; F469-Y503 HydrophobicContact CE2-CE1 4.47Å; F469-Y503 HydrophobicContact CE2-CG 4.22Å; F469-Y503 AromaticContact CZ-CD1 3.64Å; F469-Y503 HydrophobicContact CZ-CD1 3.64Å; F469-Y503 HydrophobicContact CZ-CD2 4.31Å; F469-Y503 AromaticContact CZ-CE1 3.53Å; F469-Y503 HydrophobicContact CZ-CE1 3.53Å; F469-Y503 HydrophobicContact CZ-CE2 4.2Å; F469-Y503 HydrophobicContact CZ-CG 4.04Å; F469-Y503 AromaticContact CZ-CZ 3.82Å; F469-M506 HydrophobicContact CB-CG 4.27Å; F469-M506 HydrophobicContact CB-SD 3.85Å; F469-M506 HydrophobicContact CD1-CG 4.15Å; F469-M506 HydrophobicContact CD2-CB 3.69Å; F469-M506 HydrophobicContact CD2-CG 4.03Å; F469-M506 HydrophobicContact CE2-CB 4Å; F469-M506 HydrophobicContact CE2-CG 4.43Å; F469-M506 HydrophobicContact CG-CB 4.07Å; F469-M506 HydrophobicContact CG-CG 3.88Å; F469-M506 HydrophobicContact CG-SD 4.13Å
470R95.3Very high94.6Very high77 Ų7729.8 Ų29.829%0.29114%0.143SC..Hα-helixtrans-65-42.4175.4-71.2179.4-160.7-176.32.6112.2L430 L431 S466 G467 I468 I472 L473 N474L430-R470 CarbonylContact O-C 3.6Å; L431-R470 WeakPolarHBondContact O-CD 3.42Å; S466-R470 VanDerWaalsContact O-CG 3.26Å; S466-R470 WeakPolarHBondContact O-CG 3.33Å; S466-R470 PolarHBondContact O-N 3.02Å; G467-R470 PolarHBondContact O-N 3.1Å; I468-R470 VanDerWaalsContact C-N 3.34Å; I468-R470 PolarHBondContact O-N 3.47Å; R470-I472 VanDerWaalsContact C-N 3.31Å; R470-I472 PolarHBondContact O-N 3Å; R470-L473 PolarHBondContact O-N 3.1Å; R470-N474 WeakPolarHBondContact O-CB 3.25Å; R470-N474 PolarHBondContact O-N 3.48Å
471I95.7Very high94.8Very high1 Ų133 Ų331%0.00516%0.158CC..Hα-helixtrans-55.7-49.3173.9-66167.6000109.6F338 M427 L430 L431 L455 G467 I468 L473 N474 C475F338-I471 HydrophobicContact CE1-CD1 4.4Å; M427-I471 HydrophobicContact CE-CD1 3.67Å; M427-I471 HydrophobicContact SD-CD1 4.43Å; L430-I471 HydrophobicContact CB-CG1 4.26Å; L430-I471 HydrophobicContact CD1-CG2 4.47Å; L430-I471 PolarHBondContact O-N 3.48Å; L431-I471 HydrophobicContact CD2-CD1 4.12Å; L431-I471 HydrophobicContact CD2-CG1 3.96Å; L455-I471 HydrophobicContact CD1-CD1 4.36Å; G467-I471 WeakPolarHBondContact O-CG1 3.47Å; G467-I471 PolarHBondContact O-N 3.31Å; G467-I471 VanDerWaalsContact O-N 3.12Å; I468-I471 WeakPolarHBondContact O-CB 3.47Å; I468-I471 PolarHBondContact O-N 3.24Å; I471-L473 PolarHBondContact O-N 3.13Å; I471-N474 PolarHBondContact O-N 2.8Å; I471-C475 WeakPolarHBondContact O-CB 3.32Å; I471-C475 PolarHBondContact O-N 3.29Å; I471-C475 PolarHBondContact O-SG 3Å
472I97.8Very high95.1Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-56.3-52.7177.6-66.5161.9000110.6V374 S377 L378 L381 I468 F469 R470 N474 C475 I476 A502V374-I472 HydrophobicContact CG1-CG2 4.23Å; S377-I472 VanDerWaalsContact CB-CG1 3.4Å; L378-I472 HydrophobicContact CD2-CD1 3.94Å; L378-I472 HydrophobicContact CG-CD1 4.09Å; L381-I472 HydrophobicContact CD2-CD1 4.15Å; I468-I472 HydrophobicContact CG2-CD1 4.09Å; I468-I472 WeakPolarHBondContact O-CG1 3.26Å; I468-I472 PolarHBondContact O-N 2.78Å; F469-I472 PolarHBondContact O-N 3.4Å; R470-I472 VanDerWaalsContact C-N 3.31Å; R470-I472 PolarHBondContact O-N 3Å; I472-N474 PolarHBondContact O-N 2.78Å; I472-C475 PolarHBondContact O-N 3.09Å; I472-I476 HydrophobicContact CG2-CD1 3.62Å; I472-I476 HydrophobicContact CG2-CG1 4.26Å; I472-I476 VanDerWaalsContact O-CG1 3.25Å; I472-I476 WeakPolarHBondContact O-CG1 3.44Å; I472-I476 PolarHBondContact O-N 3.42Å; I472-A502 HydrophobicContact CD1-CB 4.36Å; I472-A502 HydrophobicContact CG2-CB 3.77Å
473L96.9Very high95.4Very high1 Ų129.9 Ų29.91%0.00514%0.143CC..Hα-helixtrans-64-39.2-176.2-67.5-169.1000113.2Y433 F469 R470 I471 M477 R499 Y503Y433-L473 HydrophobicContact CD1-CB 4.36Å; Y433-L473 HydrophobicContact CD1-CD1 3.93Å; Y433-L473 HydrophobicContact CD2-CB 3.84Å; Y433-L473 HydrophobicContact CE1-CB 4.02Å; Y433-L473 HydrophobicContact CE1-CD1 3.39Å; Y433-L473 HydrophobicContact CE1-CG 4.38Å; Y433-L473 HydrophobicContact CE2-CB 3.52Å; Y433-L473 HydrophobicContact CE2-CD1 4.43Å; Y433-L473 HydrophobicContact CG-CB 4.27Å; F469-L473 HydrophobicContact CD1-CD1 4.1Å; F469-L473 HydrophobicContact CD1-CG 4.39Å; F469-L473 HydrophobicContact CE1-CD1 3.35Å; F469-L473 HydrophobicContact CE1-CG 3.95Å; F469-L473 HydrophobicContact CE2-CD1 4.32Å; F469-L473 HydrophobicContact CE2-CD2 4.18Å; F469-L473 HydrophobicContact CE2-CG 4.18Å; F469-L473 HydrophobicContact CZ-CD1 3.48Å; F469-L473 VanDerWaalsContact CZ-CD1 3.48Å; F469-L473 HydrophobicContact CZ-CD2 4.02Å; F469-L473 HydrophobicContact CZ-CG 3.83Å; F469-L473 WeakPolarHBondContact O-CG 3.49Å; F469-L473 PolarHBondContact O-N 3.49Å; R470-L473 PolarHBondContact O-N 3.1Å; I471-L473 PolarHBondContact O-N 3.13Å; L473-M477 WeakPolarHBondContact O-CB 3.4Å; L473-M477 PolarHBondContact O-N 3.2Å; L473-R499 HydrophobicContact CD2-CG 3.86Å; L473-Y503 HydrophobicContact CD2-CE2 4.19Å
474N95.7Very high95.6Very high8 Ų826.1 Ų26.14%0.04313%0.128CC..Hα-helixtrans-66-46.2175.6-96.1-34.4000111.6E429 L430 Y433 R470 I471 I472 I476 M477 K478E429-N474 PolarHBondContact O-ND2 2.76Å; E429-N474 VanDerWaalsContact O-ND2 3.08Å; L430-N474 VanDerWaalsContact C-ND2 3.28Å; L430-N474 HydrophobicContact CD2-CB 3.96Å; L430-N474 PolarHBondContact O-ND2 3.07Å; Y433-N474 HydrophobicContact CD2-CB 4.31Å; Y433-N474 VanDerWaalsContact CD2-OD1 3.29Å; Y433-N474 WeakPolarHBondContact CD2-OD1 3.47Å; R470-N474 WeakPolarHBondContact O-CB 3.25Å; R470-N474 PolarHBondContact O-N 3.48Å; I471-N474 PolarHBondContact O-N 2.8Å; I472-N474 PolarHBondContact O-N 2.78Å; N474-I476 PolarHBondContact O-N 3.34Å; N474-M477 PolarHBondContact O-N 3.46Å; N474-M477 WeakPolarHBondContact OD1-CE 3.4Å; N474-K478 WeakPolarHBondContact O-CG 3.28Å; N474-K478 PolarHBondContact O-N 2.79Å
475C97.4Very high95.6Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-61-42.9176.8-71.20000111.9Y370 V374 I471 I472 K478 A479Y370-C475 HydrophobicContact CD1-CB 4.17Å; Y370-C475 HydrophobicContact CG-CB 4.48Å; V374-C475 HydrophobicContact CG2-CB 3.5Å; I471-C475 WeakPolarHBondContact O-CB 3.32Å; I471-C475 PolarHBondContact O-N 3.29Å; I471-C475 PolarHBondContact O-SG 3Å; I472-C475 PolarHBondContact O-N 3.09Å; C475-K478 PolarHBondContact O-N 2.83Å; C475-A479 WeakPolarHBondContact O-CB 3.39Å; C475-A479 PolarHBondContact O-N 2.9Å
476I97.5Very high95.5Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-61.8-47.5176.2-66.1173.8000110.3V374 I472 N474 K478 A479 E480 L495 D498 R499V374-I476 HydrophobicContact CG1-CD1 4.3Å; V374-I476 HydrophobicContact CG1-CG1 4.17Å; V374-I476 HydrophobicContact CG2-CG1 3.65Å; I472-I476 HydrophobicContact CG2-CD1 3.62Å; I472-I476 HydrophobicContact CG2-CG1 4.26Å; I472-I476 VanDerWaalsContact O-CG1 3.25Å; I472-I476 WeakPolarHBondContact O-CG1 3.44Å; I472-I476 PolarHBondContact O-N 3.42Å; N474-I476 PolarHBondContact O-N 3.34Å; I476-K478 VanDerWaalsContact C-N 3.27Å; I476-K478 PolarHBondContact O-N 3.08Å; I476-A479 PolarHBondContact O-N 3.02Å; I476-A479 VanDerWaalsContact O-N 3.17Å; I476-E480 HydrophobicContact CG2-CG 4.28Å; I476-E480 WeakPolarHBondContact O-CG 3.37Å; I476-E480 PolarHBondContact O-N 3.16Å; I476-L495 HydrophobicContact CG1-CD2 4.41Å; I476-L495 HydrophobicContact CG2-CB 4.14Å; I476-L495 HydrophobicContact CG2-CD2 4.35Å; I476-D498 HydrophobicContact CD1-CB 4.16Å; I476-R499 HydrophobicContact CD1-CB 3.77Å; I476-R499 HydrophobicContact CD1-CG 4.46Å; I476-R499 VanDerWaalsContact CG2-CZ 3.5Å
477M95.6Very high95.4Very high86 Ų8641.5 Ų41.542%0.42420%0.203SC..Hα-helixtrans-57.7-41177.6-179.9-176.96800111.8L473 N474L473-M477 WeakPolarHBondContact O-CB 3.4Å; L473-M477 PolarHBondContact O-N 3.2Å; N474-M477 PolarHBondContact O-N 3.46Å; N474-M477 WeakPolarHBondContact OD1-CE 3.4Å
478K95.8Very high95.4Very high30 Ų3044.3 Ų44.313%0.1322%0.215CC..Hα-helixtrans-69-39.6176.4-70.2-167.8173-158.60112.7Y370 E429 N474 C475 I476 N481Y370-K478 HydrophobicContact CD1-CD 4.43Å; Y370-K478 HydrophobicContact CD2-CB 3.54Å; Y370-K478 HydrophobicContact CD2-CD 4.31Å; Y370-K478 HydrophobicContact CE1-CD 3.71Å; Y370-K478 HydrophobicContact CE2-CB 3.51Å; Y370-K478 HydrophobicContact CE2-CD 3.56Å; Y370-K478 HydrophobicContact CE2-CG 4.18Å; Y370-K478 HydrophobicContact CG-CB 4.1Å; Y370-K478 VanDerWaalsContact OH-CD 3.25Å; Y370-K478 WeakPolarHBondContact OH-CD 3.29Å; Y370-K478 PolarHBondContact OH-NZ 3.28Å; E429-K478 WeakPolarHBondContact OE1-CE 3.41Å; E429-K478 IonicContact OE1-NZ 3.92Å; E429-K478 PolarHBondContact OE1-NZ 3.16Å; E429-K478 IonicContact OE2-NZ 2.84Å; E429-K478 PolarHBondContact OE2-NZ 2.76Å; N474-K478 WeakPolarHBondContact O-CG 3.28Å; N474-K478 PolarHBondContact O-N 2.79Å; C475-K478 PolarHBondContact O-N 2.83Å; I476-K478 VanDerWaalsContact C-N 3.27Å; I476-K478 PolarHBondContact O-N 3.08Å; K478-N481 WeakPolarHBondContact O-CB 3.2Å; K478-N481 PolarHBondContact O-N 3.08Å
479A97.3Very high95.3Very high0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-67.6-35177.700000112.7R371 C475 I476 N481 F482 Y483 L495R371-A479 HydrophobicContact CG-CB 4.35Å; C475-A479 WeakPolarHBondContact O-CB 3.39Å; C475-A479 PolarHBondContact O-N 2.9Å; I476-A479 PolarHBondContact O-N 3.02Å; I476-A479 VanDerWaalsContact O-N 3.17Å; A479-N481 PolarHBondContact O-N 2.92Å; A479-F482 PolarHBondContact O-N 2.97Å; A479-F482 VanDerWaalsContact O-N 3.12Å; A479-Y483 HydrophobicContact CB-CD2 4.47Å; A479-Y483 PolarHBondContact O-N 3.49Å; A479-L495 HydrophobicContact CB-CD1 3.8Å; A479-L495 HydrophobicContact CB-CD2 3.97Å
480E95.7Very high95.2Very high54 Ų5449.6 Ų49.625%0.25225%0.245SC..Hα-helixtrans-64.7-22.8177.8-79.3-179.5157.700114.1I476 F482 L495 R499I476-E480 HydrophobicContact CG2-CG 4.28Å; I476-E480 WeakPolarHBondContact O-CG 3.37Å; I476-E480 PolarHBondContact O-N 3.16Å; E480-F482 PolarHBondContact O-N 2.86Å; E480-L495 HydrophobicContact CG-CD1 3.88Å; E480-R499 IonicContact OE1-CZ 3.11Å; E480-R499 IonicContact OE1-NH1 2.7Å; E480-R499 PolarHBondContact OE1-NH1 2.86Å; E480-R499 IonicContact OE1-NH2 3.95Å; E480-R499 PolarHBondContact OE1-NH2 3.47Å; E480-R499 IonicContact OE2-CZ 2.81Å; E480-R499 IonicContact OE2-NH1 2.66Å; E480-R499 IonicContact OE2-NH2 3.63Å; E480-R499 PolarHBondContact OE2-NH2 2.62Å
481N94.4Very high95.3Very high135 Ų13548 Ų4872%0.72224%0.242SC*.THydrogen-bonded Turntrans-60-29.3173.4-67.6-29.1000111.9K478 A479K478-N481 WeakPolarHBondContact O-CB 3.2Å; K478-N481 PolarHBondContact O-N 3.08Å; A479-N481 PolarHBondContact O-N 2.92Å
482F95.9Very high95.3Very high47 Ų4748.2 Ų48.221%0.20624%0.244CC..THydrogen-bonded Turntrans-100.5-51.9175.4-177.4-98.4000111.5D363 A367 A479 E480 T484 H488D363-F482 HydrophobicContact CB-CD2 3.9Å; A367-F482 HydrophobicContact CB-CB 3.66Å; A367-F482 HydrophobicContact CB-CD1 3.91Å; A367-F482 HydrophobicContact CB-CG 4.03Å; A479-F482 PolarHBondContact O-N 2.97Å; A479-F482 VanDerWaalsContact O-N 3.12Å; E480-F482 PolarHBondContact O-N 2.86Å; F482-T484 VanDerWaalsContact C-N 3.3Å; F482-T484 PolarHBondContact O-N 2.99Å; F482-H488 AromaticContact CE1-NE2 3.59Å; F482-H488 AromaticContact CZ-NE2 3.62Å; F482-H488 PolarHBondContact O-CD2 3.5Å
483Y96.1Very high95.3Very high20 Ų2048.2 Ų48.28%0.07824%0.244CC..SBendtrans-80.572.5-178.2-71.5-60.5000112.1A367 N368 R371 A479 H488 D491 A492 L495A367-Y483 HydrophobicContact CB-CD2 3.77Å; A367-Y483 HydrophobicContact CB-CE2 3.62Å; N368-Y483 PolarHBondContact OD1-OH 3.16Å; R371-Y483 HydrophobicContact CG-CE2 4.38Å; R371-Y483 PolarHBondContact NH1-OH 3.31Å; A479-Y483 HydrophobicContact CB-CD2 4.47Å; A479-Y483 PolarHBondContact O-N 3.49Å; Y483-H488 HydrophobicContact CD1-CB 3.59Å; Y483-H488 AromaticContact CD1-CG 3.74Å; Y483-H488 HydrophobicContact CE1-CB 4.3Å; Y483-D491 HydrophobicContact CD1-CB 3.3Å; Y483-D491 HydrophobicContact CE1-CB 3.63Å; Y483-D491 HydrophobicContact CG-CB 3.86Å; Y483-A492 VanDerWaalsContact O-CB 3.22Å; Y483-A492 WeakPolarHBondContact O-CB 3.45Å; Y483-L495 HydrophobicContact CD2-CD1 4.29Å; Y483-L495 HydrophobicContact CG-CD1 4.35Å
484T94.6Very high95.3Very high43 Ų4349 Ų4926%0.26425%0.252SS..  trans-85.1153.3176.365.60000111.7F482 Q486 N487 H488F482-T484 VanDerWaalsContact C-N 3.3Å; F482-T484 PolarHBondContact O-N 2.99Å; T484-Q486 PolarHBondContact O-N 3.48Å; T484-Q486 VanDerWaalsContact O-N 3.13Å; T484-N487 PolarHBondContact O-N 3.36Å; T484-N487 PolarHBondContact OG1-N 3.32Å; T484-H488 CarbonylContact O-C 3.58Å; T484-H488 VanDerWaalsContact O-C 3.29Å; T484-H488 WeakPolarHBondContact O-CA 3.43Å; T484-H488 PolarHBondContact O-N 3.45Å
485L92.4Very high95.4Very high49 Ų4948.6 Ų48.626%0.25725%0.25SC..THydrogen-bonded Turntrans-57.8-27.6176-74.8169.7000113C489 A492 I493L485-C489 WeakPolarHBondContact O-CA 3.43Å; L485-C489 WeakPolarHBondContact O-CB 3.44Å; L485-A492 HydrophobicContact CD2-CB 3.83Å; L485-A492 HydrophobicContact CG-CB 4.07Å; L485-I493 HydrophobicContact CD2-CG1 3.95Å
486Q92.2Very high95.4Very high177 Ų17749.4 Ų49.483%0.82725%0.254SS*.THydrogen-bonded Turntrans-76.2-46.4-177.8-69.1167.8-9.200112.5T484T484-Q486 PolarHBondContact O-N 3.48Å; T484-Q486 VanDerWaalsContact O-N 3.13Å
487N91.6Very high95.4Very high121 Ų12151.5 Ų51.565%0.64726%0.264SS*.THydrogen-bonded Turntrans-95.1-30.5-173.5-63.3-25.8000112.5T484T484-N487 PolarHBondContact O-N 3.36Å; T484-N487 PolarHBondContact OG1-N 3.32Å
488H93.3Very high95.5Very high61 Ų6149.7 Ų49.728%0.28226%0.256SS..  trans-139.756.1-173-59.2-75.8000111.2F482 Y483 T484 I490 D491 A492F482-H488 AromaticContact CE1-NE2 3.59Å; F482-H488 AromaticContact CZ-NE2 3.62Å; F482-H488 PolarHBondContact O-CD2 3.5Å; Y483-H488 HydrophobicContact CD1-CB 3.59Å; Y483-H488 AromaticContact CD1-CG 3.74Å; Y483-H488 HydrophobicContact CE1-CB 4.3Å; T484-H488 CarbonylContact O-C 3.58Å; T484-H488 VanDerWaalsContact O-C 3.29Å; T484-H488 WeakPolarHBondContact O-CA 3.43Å; T484-H488 PolarHBondContact O-N 3.45Å; H488-I490 VanDerWaalsContact C-N 3.31Å; H488-I490 PolarHBondContact O-N 3.48Å; H488-I490 VanDerWaalsContact O-N 3.16Å; H488-D491 HydrophobicContact CB-CB 4.28Å; H488-D491 PolarHBondContact O-N 3.1Å; H488-D491 VanDerWaalsContact O-N 3.14Å; H488-A492 WeakPolarHBondContact O-CB 3.27Å; H488-A492 PolarHBondContact O-N 3.09Å
489C93.6Very high95.6Very high19 Ų1949.7 Ų49.713%0.12826%0.255CS..Hα-helixtrans-46.6-48.3-173.3-176.10000113.9L485 A492 I493 Y539L485-C489 WeakPolarHBondContact O-CA 3.43Å; L485-C489 WeakPolarHBondContact O-CB 3.44Å; C489-A492 PolarHBondContact O-N 2.8Å; C489-I493 WeakPolarHBondContact O-CD1 3.4Å; C489-I493 WeakPolarHBondContact O-CG1 2.94Å; C489-I493 PolarHBondContact O-N 2.96Å; C489-Y539 HydrophobicContact CB-CE1 4.46Å
490I95Very high95.6Very high112 Ų11249.7 Ų49.757%0.57426%0.255SS*.Hα-helixtrans-65-47.9-177.7-61.3174.9000111.4H488 I493 G494 L542H488-I490 VanDerWaalsContact C-N 3.31Å; H488-I490 PolarHBondContact O-N 3.48Å; H488-I490 VanDerWaalsContact O-N 3.16Å; I490-I493 PolarHBondContact O-N 3.5Å; I490-G494 PolarHBondContact O-N 3.39Å; I490-L542 HydrophobicContact CG1-CD1 4.47Å
491D96.5Very high95.7Very high45 Ų4549.8 Ų49.824%0.24125%0.254CS..Hα-helixtrans-66.8-38.9-179.8-61.6-67.8000111.8R371 Y483 H488 G494 L495R371-D491 IonicContact CZ-OD1 3.54Å; R371-D491 VanDerWaalsContact CZ-OD1 3.28Å; R371-D491 IonicContact NH1-OD1 2.79Å; R371-D491 PolarHBondContact NH1-OD1 2.83Å; R371-D491 IonicContact NH2-OD1 3.45Å; R371-D491 PolarHBondContact NH2-OD1 3.28Å; Y483-D491 HydrophobicContact CD1-CB 3.3Å; Y483-D491 HydrophobicContact CE1-CB 3.63Å; Y483-D491 HydrophobicContact CG-CB 3.86Å; H488-D491 HydrophobicContact CB-CB 4.28Å; H488-D491 PolarHBondContact O-N 3.1Å; H488-D491 VanDerWaalsContact O-N 3.14Å; D491-G494 PolarHBondContact O-N 3.18Å; D491-L495 WeakPolarHBondContact O-CG 3.29Å; D491-L495 PolarHBondContact O-N 3.28Å
492A96.7Very high95.9Very high4 Ų443.3 Ų43.33%0.03322%0.22CC..Hα-helixtrans-62.4-41.8175.100000111.9Y483 L485 H488 C489 G494 L495 I496Y483-A492 VanDerWaalsContact O-CB 3.22Å; Y483-A492 WeakPolarHBondContact O-CB 3.45Å; L485-A492 HydrophobicContact CD2-CB 3.83Å; L485-A492 HydrophobicContact CG-CB 4.07Å; H488-A492 WeakPolarHBondContact O-CB 3.27Å; H488-A492 PolarHBondContact O-N 3.09Å; C489-A492 PolarHBondContact O-N 2.8Å; A492-G494 VanDerWaalsContact C-N 3.34Å; A492-L495 PolarHBondContact O-N 3.45Å; A492-I496 WeakPolarHBondContact O-CG1 2.98Å; A492-I496 PolarHBondContact O-N 3.09Å
493I96.7Very high96Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-63.3-42.6173.3-68.4161.7000110.4L485 C489 I490 L495 I496 Q497 V530 L534 L542 L546L485-I493 HydrophobicContact CD2-CG1 3.95Å; C489-I493 WeakPolarHBondContact O-CD1 3.4Å; C489-I493 WeakPolarHBondContact O-CG1 2.94Å; C489-I493 PolarHBondContact O-N 2.96Å; I490-I493 PolarHBondContact O-N 3.5Å; I493-L495 VanDerWaalsContact C-N 3.34Å; I493-L495 PolarHBondContact O-N 3.27Å; I493-I496 PolarHBondContact O-N 2.77Å; I493-Q497 HydrophobicContact CG2-CG 4.45Å; I493-Q497 PolarHBondContact O-N 3.44Å; I493-V530 HydrophobicContact CG1-CG1 4.04Å; I493-L534 HydrophobicContact CD1-CD1 3.78Å; I493-L534 HydrophobicContact CD1-CD2 3.71Å; I493-L534 HydrophobicContact CD1-CG 4.38Å; I493-L534 HydrophobicContact CG1-CD1 4.45Å; I493-L534 HydrophobicContact CG1-CD2 4.5Å; I493-L542 HydrophobicContact CD1-CD1 3.57Å; I493-L542 HydrophobicContact CG2-CD2 4.41Å; I493-L546 HydrophobicContact CG2-CD1 4.08Å; I493-L546 HydrophobicContact CG2-CD2 4.32Å
494G96.8Very high96.1Very high17 Ų1745.6 Ų45.618%0.17523%0.227CC..Hα-helixtrans-56.3-46175.800000112.5I490 D491 A492 I496 Q497 D498I490-G494 PolarHBondContact O-N 3.39Å; D491-G494 PolarHBondContact O-N 3.18Å; A492-G494 VanDerWaalsContact C-N 3.34Å; G494-I496 VanDerWaalsContact C-N 3.28Å; G494-I496 PolarHBondContact O-N 3.38Å; G494-Q497 PolarHBondContact O-N 3.03Å; G494-D498 WeakPolarHBondContact O-CB 3.21Å; G494-D498 PolarHBondContact O-N 3.22Å
495L97.6Very high96.2Very high1 Ų143.7 Ų43.71%0.00522%0.215CC..Hα-helixtrans-59.7-36174.9-73.9177.5000113R371 I476 A479 E480 Y483 D491 A492 I493 R499R371-L495 HydrophobicContact CG-CD2 3.83Å; I476-L495 HydrophobicContact CG1-CD2 4.41Å; I476-L495 HydrophobicContact CG2-CB 4.14Å; I476-L495 HydrophobicContact CG2-CD2 4.35Å; A479-L495 HydrophobicContact CB-CD1 3.8Å; A479-L495 HydrophobicContact CB-CD2 3.97Å; E480-L495 HydrophobicContact CG-CD1 3.88Å; Y483-L495 HydrophobicContact CD2-CD1 4.29Å; Y483-L495 HydrophobicContact CG-CD1 4.35Å; D491-L495 WeakPolarHBondContact O-CG 3.29Å; D491-L495 PolarHBondContact O-N 3.28Å; A492-L495 PolarHBondContact O-N 3.45Å; I493-L495 VanDerWaalsContact C-N 3.34Å; I493-L495 PolarHBondContact O-N 3.27Å; L495-R499 WeakPolarHBondContact O-CB 3.24Å; L495-R499 PolarHBondContact O-N 2.86Å
496I97.2Very high96.4Very high17 Ų1741.5 Ų41.59%0.08720%0.204CC..Hα-helixtrans-73.3-39.1178.1-64.6167.4000111.2A492 I493 G494 R499 S500 M526 V530A492-I496 WeakPolarHBondContact O-CG1 2.98Å; A492-I496 PolarHBondContact O-N 3.09Å; I493-I496 PolarHBondContact O-N 2.77Å; G494-I496 VanDerWaalsContact C-N 3.28Å; G494-I496 PolarHBondContact O-N 3.38Å; I496-R499 PolarHBondContact O-N 2.8Å; I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 3Å; I496-M526 HydrophobicContact CG2-CB 4.35Å; I496-V530 HydrophobicContact CB-CG2 4.38Å; I496-V530 HydrophobicContact CD1-CG2 3.27Å; I496-V530 HydrophobicContact CG1-CG2 4.33Å; I496-V530 HydrophobicContact CG2-CG2 3.88Å
497Q97.5Very high96.6Very high44 Ų4433.2 Ų33.221%0.20617%0.166CC..Hα-helixtrans-62.8-44172-70.5179.4-64.600111.1I493 G494 R499 S500 K501 L546I493-Q497 HydrophobicContact CG2-CG 4.45Å; I493-Q497 PolarHBondContact O-N 3.44Å; G494-Q497 PolarHBondContact O-N 3.03Å; Q497-R499 VanDerWaalsContact C-N 3.32Å; Q497-R499 PolarHBondContact O-N 3.06Å; Q497-S500 WeakPolarHBondContact O-CB 3.46Å; Q497-S500 PolarHBondContact O-N 3.26Å; Q497-S500 VanDerWaalsContact O-N 3.15Å; Q497-K501 WeakPolarHBondContact O-CB 3.2Å; Q497-K501 PolarHBondContact O-N 2.98Å; Q497-L546 HydrophobicContact CG-CD2 3.7Å
498D98Very high96.7Very high48 Ų4830.9 Ų30.926%0.25716%0.156SC..Hα-helixtrans-59.5-43.3175-77.2-22.2000111.5V374 L378 I476 G494 K501 A502V374-D498 HydrophobicContact CG1-CB 3.97Å; L378-D498 HydrophobicContact CD1-CB 3.83Å; I476-D498 HydrophobicContact CD1-CB 4.16Å; G494-D498 WeakPolarHBondContact O-CB 3.21Å; G494-D498 PolarHBondContact O-N 3.22Å; D498-K501 PolarHBondContact O-N 3.35Å; D498-A502 WeakPolarHBondContact O-CB 3.25Å; D498-A502 PolarHBondContact O-N 2.91Å
499R98Very high96.7Very high29 Ų2928 Ų2811%0.10914%0.143CC..Hα-helixtrans-61.8-45.2174.3-172.6-177.7-73.1127.7-14.2111.6L473 I476 E480 L495 I496 Q497 K501 A502 Y503 M526L473-R499 HydrophobicContact CD2-CG 3.86Å; I476-R499 HydrophobicContact CD1-CB 3.77Å; I476-R499 HydrophobicContact CD1-CG 4.46Å; I476-R499 VanDerWaalsContact CG2-CZ 3.5Å; E480-R499 IonicContact OE1-CZ 3.11Å; E480-R499 IonicContact OE1-NH1 2.7Å; E480-R499 PolarHBondContact OE1-NH1 2.86Å; E480-R499 IonicContact OE1-NH2 3.95Å; E480-R499 PolarHBondContact OE1-NH2 3.47Å; E480-R499 IonicContact OE2-CZ 2.81Å; E480-R499 IonicContact OE2-NH1 2.66Å; E480-R499 IonicContact OE2-NH2 3.63Å; E480-R499 PolarHBondContact OE2-NH2 2.62Å; L495-R499 WeakPolarHBondContact O-CB 3.24Å; L495-R499 PolarHBondContact O-N 2.86Å; I496-R499 PolarHBondContact O-N 2.8Å; Q497-R499 VanDerWaalsContact C-N 3.32Å; Q497-R499 PolarHBondContact O-N 3.06Å; R499-K501 VanDerWaalsContact C-N 3.35Å; R499-A502 WeakPolarHBondContact O-CB 3.49Å; R499-A502 PolarHBondContact O-N 3.07Å; R499-Y503 HydrophobicContact CG-CD2 4.11Å; R499-Y503 HydrophobicContact CG-CE2 3.94Å; R499-Y503 VanDerWaalsContact O-CD2 3.3Å; R499-Y503 WeakPolarHBondContact O-CD2 3.19Å; R499-Y503 PolarHBondContact O-N 3.28Å; R499-Y503 VanDerWaalsContact O-N 3.12Å; R499-M526 WeakPolarHBondContact CD-SD 3.45Å; R499-M526 HydrophobicContact CG-CE 4.01Å; R499-M526 HydrophobicContact CG-SD 3.99Å
500S97.9Very high96.7Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-62.2-43.3177.8-178.80000111.5I496 Q497 A502 Y503 R504 R523 E549I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 3Å; Q497-S500 WeakPolarHBondContact O-CB 3.46Å; Q497-S500 PolarHBondContact O-N 3.26Å; Q497-S500 VanDerWaalsContact O-N 3.15Å; S500-A502 VanDerWaalsContact C-N 3.35Å; S500-A502 PolarHBondContact O-N 2.88Å; S500-Y503 PolarHBondContact O-N 2.94Å; S500-R504 PolarHBondContact O-N 3.32Å; S500-R523 WeakPolarHBondContact O-CD 3.09Å; S500-R523 PolarHBondContact O-NE 3.41Å; S500-R523 PolarHBondContact OG-NE 2.86Å; S500-R523 PolarHBondContact OG-NH2 3.1Å; S500-E549 WeakPolarHBondContact CB-OE1 3.26Å; S500-E549 PolarHBondContact OG-OE1 3.5Å
501K98Very high96.6Very high56 Ų5630.8 Ų30.824%0.24315%0.148CC..Hα-helixtrans-59-44.4173.5-174.9178.1176.7-1790111.2L378 E382 Q497 D498 R499 Y503 R504 L505L378-K501 HydrophobicContact CD1-CD 4.48Å; L378-K501 HydrophobicContact CD2-CB 4.4Å; L378-K501 HydrophobicContact CD2-CD 4.37Å; L378-K501 HydrophobicContact CD2-CG 4.19Å; E382-K501 VanDerWaalsContact OE2-CE 3.24Å; E382-K501 WeakPolarHBondContact OE2-CE 3.22Å; E382-K501 IonicContact OE2-NZ 3.69Å; E382-K501 PolarHBondContact OE2-NZ 2.94Å; Q497-K501 WeakPolarHBondContact O-CB 3.2Å; Q497-K501 PolarHBondContact O-N 2.98Å; D498-K501 PolarHBondContact O-N 3.35Å; R499-K501 VanDerWaalsContact C-N 3.35Å; K501-Y503 PolarHBondContact O-N 3.22Å; K501-R504 WeakPolarHBondContact O-CB 3.41Å; K501-R504 PolarHBondContact O-N 3.29Å; K501-R504 VanDerWaalsContact O-N 3.15Å; K501-L505 HydrophobicContact CG-CD1 4.05Å; K501-L505 HydrophobicContact CG-CG 4.4Å; K501-L505 WeakPolarHBondContact O-CG 3.4Å; K501-L505 PolarHBondContact O-N 3.35Å
502A98.1Very high96.4Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-57.8-46.6177.300000111.9L378 F469 I472 D498 R499 S500 R504 L505 M506L378-A502 HydrophobicContact CD2-CB 3.93Å; F469-A502 HydrophobicContact CD2-CB 3.92Å; F469-A502 HydrophobicContact CE2-CB 3.74Å; I472-A502 HydrophobicContact CD1-CB 4.36Å; I472-A502 HydrophobicContact CG2-CB 3.77Å; D498-A502 WeakPolarHBondContact O-CB 3.25Å; D498-A502 PolarHBondContact O-N 2.91Å; R499-A502 WeakPolarHBondContact O-CB 3.49Å; R499-A502 PolarHBondContact O-N 3.07Å; S500-A502 VanDerWaalsContact C-N 3.35Å; S500-A502 PolarHBondContact O-N 2.88Å; A502-R504 VanDerWaalsContact C-N 3.34Å; A502-R504 PolarHBondContact O-N 3.2Å; A502-L505 PolarHBondContact O-N 3.46Å; A502-M506 VanDerWaalsContact O-CB 3.32Å; A502-M506 WeakPolarHBondContact O-CB 3.35Å; A502-M506 PolarHBondContact O-N 2.96Å
503Y98.2Very high96.2Very high7 Ų733.2 Ų33.23%0.02716%0.161CC..Hα-helixtrans-63.6-38.1176.6-84.6-73.5000112.5F469 L473 R499 S500 K501 A507 M519 R522 R523 M526F469-Y503 HydrophobicContact CE1-CE1 4.28Å; F469-Y503 HydrophobicContact CE2-CD1 4.19Å; F469-Y503 HydrophobicContact CE2-CE1 4.47Å; F469-Y503 HydrophobicContact CE2-CG 4.22Å; F469-Y503 AromaticContact CZ-CD1 3.64Å; F469-Y503 HydrophobicContact CZ-CD1 3.64Å; F469-Y503 HydrophobicContact CZ-CD2 4.31Å; F469-Y503 AromaticContact CZ-CE1 3.53Å; F469-Y503 HydrophobicContact CZ-CE1 3.53Å; F469-Y503 HydrophobicContact CZ-CE2 4.2Å; F469-Y503 HydrophobicContact CZ-CG 4.04Å; F469-Y503 AromaticContact CZ-CZ 3.82Å; L473-Y503 HydrophobicContact CD2-CE2 4.19Å; R499-Y503 HydrophobicContact CG-CD2 4.11Å; R499-Y503 HydrophobicContact CG-CE2 3.94Å; R499-Y503 VanDerWaalsContact O-CD2 3.3Å; R499-Y503 WeakPolarHBondContact O-CD2 3.19Å; R499-Y503 PolarHBondContact O-N 3.28Å; R499-Y503 VanDerWaalsContact O-N 3.12Å; S500-Y503 PolarHBondContact O-N 2.94Å; K501-Y503 PolarHBondContact O-N 3.22Å; Y503-A507 WeakPolarHBondContact O-CB 3.27Å; Y503-A507 PolarHBondContact O-N 3.45Å; Y503-A507 VanDerWaalsContact O-N 3.1Å; Y503-M519 HydrophobicContact CD1-CB 3.94Å; Y503-M519 HydrophobicContact CD1-CG 4.02Å; Y503-R522 HydrophobicContact CE1-CB 4.47Å; Y503-R522 WeakPolarHBondContact OH-CD 3.4Å; Y503-R522 PolarHBondContact OH-NH1 3.45Å; Y503-R522 VanDerWaalsContact OH-NH1 3.12Å; Y503-R523 HydrophobicContact CG-CG 4.33Å; Y503-M526 HydrophobicContact CD2-CE 3.74Å; Y503-M526 HydrophobicContact CE2-CE 3.85Å
504R97.7Very high96Very high107 Ų10735.7 Ų35.740%0.40418%0.178SC..Hα-helixtrans-61.3-46.7176.2-176.1175.761.998.1-2.4111.3S500 K501 A502S500-R504 PolarHBondContact O-N 3.32Å; K501-R504 WeakPolarHBondContact O-CB 3.41Å; K501-R504 PolarHBondContact O-N 3.29Å; K501-R504 VanDerWaalsContact O-N 3.15Å; A502-R504 VanDerWaalsContact C-N 3.34Å; A502-R504 PolarHBondContact O-N 3.2Å
505L97.5Very high95.9Very high4 Ų441.6 Ų41.62%0.02120%0.195CC..Hα-helixtrans-71.1-41.4-178.6-63.4173000111.6L378 L381 E382 T385 K501 A502 A507 V508L378-L505 HydrophobicContact CD2-CD1 4.19Å; L381-L505 HydrophobicContact CB-CD1 4.23Å; L381-L505 HydrophobicContact CD2-CB 3.62Å; L381-L505 HydrophobicContact CD2-CD1 4.25Å; L381-L505 HydrophobicContact CG-CB 3.73Å; L381-L505 HydrophobicContact CG-CD1 4.25Å; E382-L505 HydrophobicContact CB-CD1 3.99Å; E382-L505 HydrophobicContact CB-CD2 4.31Å; E382-L505 HydrophobicContact CG-CD2 4.33Å; T385-L505 HydrophobicContact CG2-CB 3.95Å; T385-L505 HydrophobicContact CG2-CD2 3.84Å; T385-L505 WeakPolarHBondContact CG2-O 3.47Å; K501-L505 HydrophobicContact CG-CD1 4.05Å; K501-L505 HydrophobicContact CG-CG 4.4Å; K501-L505 WeakPolarHBondContact O-CG 3.4Å; K501-L505 PolarHBondContact O-N 3.35Å; A502-L505 PolarHBondContact O-N 3.46Å; L505-A507 VanDerWaalsContact C-N 3.27Å; L505-A507 PolarHBondContact O-N 2.85Å; L505-V508 WeakPolarHBondContact O-CB 3.46Å; L505-V508 PolarHBondContact O-N 3Å
506M96.6Very high95.8Very high2 Ų243.2 Ų43.21%0.0120%0.203CC..Hα-helixtrans-62.9-33.1177.7-173.762.2-156.200112.6Y462 A465 F469 A502 V508 F509 E510 M519Y462-M506 HydrophobicContact CD2-CE 3.49Å; Y462-M506 VanDerWaalsContact CD2-CE 3.49Å; Y462-M506 HydrophobicContact CE1-CE 4.45Å; Y462-M506 HydrophobicContact CE2-CE 3.24Å; Y462-M506 HydrophobicContact CG-CE 4.25Å; A465-M506 HydrophobicContact CB-CE 4.39Å; A465-M506 HydrophobicContact CB-SD 3.97Å; F469-M506 HydrophobicContact CB-CG 4.27Å; F469-M506 HydrophobicContact CB-SD 3.85Å; F469-M506 HydrophobicContact CD1-CG 4.15Å; F469-M506 HydrophobicContact CD2-CB 3.69Å; F469-M506 HydrophobicContact CD2-CG 4.03Å; F469-M506 HydrophobicContact CE2-CB 4Å; F469-M506 HydrophobicContact CE2-CG 4.43Å; F469-M506 HydrophobicContact CG-CB 4.07Å; F469-M506 HydrophobicContact CG-CG 3.88Å; F469-M506 HydrophobicContact CG-SD 4.13Å; A502-M506 VanDerWaalsContact O-CB 3.32Å; A502-M506 WeakPolarHBondContact O-CB 3.35Å; A502-M506 PolarHBondContact O-N 2.96Å; M506-V508 PolarHBondContact O-N 3.25Å; M506-F509 PolarHBondContact O-N 3.01Å; M506-F509 VanDerWaalsContact O-N 3.13Å; M506-E510 PolarHBondContact O-N 3.38Å; M506-M519 HydrophobicContact CB-SD 4.39Å; M506-M519 HydrophobicContact CG-CE 3.96Å; M506-M519 HydrophobicContact CG-SD 4.2Å
507A95.8Very high95.8Very high4 Ų442.7 Ų42.73%0.03320%0.2CC..Hα-helixtrans-60.1-26.4178.800000113.4Y503 L505 F509 E510 M519Y503-A507 WeakPolarHBondContact O-CB 3.27Å; Y503-A507 PolarHBondContact O-N 3.45Å; Y503-A507 VanDerWaalsContact O-N 3.1Å; L505-A507 VanDerWaalsContact C-N 3.27Å; L505-A507 PolarHBondContact O-N 2.85Å; A507-F509 VanDerWaalsContact C-N 3.31Å; A507-F509 PolarHBondContact O-N 3.23Å; A507-E510 PolarHBondContact O-N 3.46Å; A507-M519 HydrophobicContact CB-SD 4.01Å
508V94.7Very high95.7Very high71 Ų7144.3 Ų44.343%0.4322%0.215SC..Hα-helixtrans-65.3-34.7177.5178.70000111.9T385 Y388 L505 M506T385-V508 HydrophobicContact CG2-CB 3.99Å; T385-V508 HydrophobicContact CG2-CG1 4.33Å; T385-V508 HydrophobicContact CG2-CG2 4Å; Y388-V508 HydrophobicContact CD1-CG1 4.08Å; L505-V508 WeakPolarHBondContact O-CB 3.46Å; L505-V508 PolarHBondContact O-N 3Å; M506-V508 PolarHBondContact O-N 3.25Å
509F93.5Very high95.6Very high2 Ų243 Ų431%0.00921%0.208CC..Hα-helixtrans-84.6-16.7-179.3-63.5-85.8000113.1L381 T385 Y388 P459 Y462 A465 M506 A507 K511L381-F509 HydrophobicContact CD1-CD2 4.31Å; L381-F509 HydrophobicContact CD1-CE2 3.79Å; T385-F509 HydrophobicContact CG2-CD2 4.38Å; T385-F509 HydrophobicContact CG2-CE2 3.6Å; T385-F509 HydrophobicContact CG2-CZ 4.25Å; Y388-F509 HydrophobicContact CD1-CD1 4.25Å; Y388-F509 HydrophobicContact CD1-CE1 4.42Å; Y388-F509 AromaticContact CD2-CD1 3.86Å; Y388-F509 HydrophobicContact CD2-CD1 3.86Å; Y388-F509 AromaticContact CD2-CE1 3.8Å; Y388-F509 HydrophobicContact CD2-CE1 3.8Å; Y388-F509 HydrophobicContact CE2-CD1 4.18Å; Y388-F509 AromaticContact CG-CD1 3.91Å; Y388-F509 HydrophobicContact CG-CD1 3.91Å; Y388-F509 AromaticContact CG-CE1 3.73Å; Y388-F509 HydrophobicContact CG-CE1 3.73Å; P459-F509 HydrophobicContact CB-CE1 4.47Å; P459-F509 HydrophobicContact CB-CZ 4.38Å; P459-F509 HydrophobicContact CG-CE1 4.34Å; P459-F509 HydrophobicContact CG-CE2 4.29Å; P459-F509 HydrophobicContact CG-CZ 3.78Å; Y462-F509 HydrophobicContact CD2-CB 4.2Å; Y462-F509 WeakPolarHBondContact CD2-O 2.98Å; A465-F509 HydrophobicContact CB-CB 4.08Å; A465-F509 HydrophobicContact CB-CD1 3.9Å; A465-F509 HydrophobicContact CB-CD2 3.61Å; A465-F509 HydrophobicContact CB-CE1 4.2Å; A465-F509 HydrophobicContact CB-CE2 3.93Å; A465-F509 HydrophobicContact CB-CG 3.59Å; A465-F509 HydrophobicContact CB-CZ 4.21Å; M506-F509 PolarHBondContact O-N 3.01Å; M506-F509 VanDerWaalsContact O-N 3.13Å; A507-F509 VanDerWaalsContact C-N 3.31Å; A507-F509 PolarHBondContact O-N 3.23Å; F509-K511 PolarHBondContact O-N 3.06Å
510E93.6Very high95.6Very high11 Ų1142.1 Ų42.15%0.05121%0.205CC..  trans-81.4116.5-177.7175.756.3-106.200110.4Y462 M506 A507 N512 R515 Q516 M519Y462-E510 HydrophobicContact CE2-CB 4.13Å; Y462-E510 VanDerWaalsContact CE2-OE2 3.31Å; Y462-E510 WeakPolarHBondContact CE2-OE2 3.32Å; Y462-E510 PolarHBondContact OH-OE2 3.47Å; M506-E510 PolarHBondContact O-N 3.38Å; A507-E510 PolarHBondContact O-N 3.46Å; E510-N512 VanDerWaalsContact OE1-CB 3.32Å; E510-N512 WeakPolarHBondContact OE1-CB 3.28Å; E510-N512 PolarHBondContact OE1-N 3.37Å; E510-R515 VanDerWaalsContact CD-CD 3.5Å; E510-R515 HydrophobicContact CG-CB 3.59Å; E510-R515 WeakPolarHBondContact OE2-CD 3.38Å; E510-R515 IonicContact OE2-NH1 2.69Å; E510-Q516 HydrophobicContact CB-CG 4.08Å; E510-Q516 HydrophobicContact CG-CG 4Å; E510-Q516 PolarHBondContact O-NE2 3.17Å; E510-M519 HydrophobicContact CB-CE 4.07Å; E510-M519 HydrophobicContact CG-CE 4.18Å
511K91.7Very high95.6Very high177 Ų17747.6 Ų47.677%0.7723%0.229SC*.  trans-73.4-30.7-179.8-65.5-178.6179.4178.80112.8F509 I513F509-K511 PolarHBondContact O-N 3.06Å; K511-I513 PolarHBondContact O-N 3.48Å
512N92.5Very high95.6Very high78 Ų7850 Ų5042%0.41724%0.236SC..  trans-81.3112.5-175.1-175.6-54.5000111.2E510 S514 R515 Q516E510-N512 VanDerWaalsContact OE1-CB 3.32Å; E510-N512 WeakPolarHBondContact OE1-CB 3.28Å; E510-N512 PolarHBondContact OE1-N 3.37Å; N512-S514 PolarHBondContact O-N 2.85Å; N512-S514 WeakPolarHBondContact OD1-CA 3.35Å; N512-S514 VanDerWaalsContact OD1-CB 3.24Å; N512-S514 WeakPolarHBondContact OD1-CB 3.3Å; N512-S514 PolarHBondContact OD1-N 3.33Å; N512-R515 HydrophobicContact CB-CB 4.16Å; N512-R515 HydrophobicContact CB-CG 4.07Å; N512-R515 WeakPolarHBondContact O-CA 3.49Å; N512-R515 WeakPolarHBondContact O-CB 3.37Å; N512-R515 PolarHBondContact O-N 2.96Å; N512-R515 PolarHBondContact OD1-N 3.36Å; N512-R515 VanDerWaalsContact OD1-N 3.1Å; N512-Q516 PolarHBondContact O-N 3.5Å
513I93Very high95.5Very high23 Ų2350.1 Ų50.112%0.11824%0.237CC..Hα-helixtrans-58.8-34.3-178.6-57.3175.4000112.5K511 R515 Q516 C517 L560 K563 L564 E567K511-I513 PolarHBondContact O-N 3.48Å; I513-R515 VanDerWaalsContact C-N 3.34Å; I513-R515 PolarHBondContact O-N 2.89Å; I513-Q516 WeakPolarHBondContact O-CB 3.4Å; I513-Q516 PolarHBondContact O-N 2.95Å; I513-C517 PolarHBondContact O-N 3.47Å; I513-C517 PolarHBondContact O-SG 3.41Å; I513-L560 HydrophobicContact CG2-CB 4.13Å; I513-L560 HydrophobicContact CG2-CD2 4.25Å; I513-K563 HydrophobicContact CD1-CB 4.32Å; I513-L564 HydrophobicContact CB-CD2 3.95Å; I513-L564 HydrophobicContact CB-CG 4.27Å; I513-L564 HydrophobicContact CG2-CD1 4.03Å; I513-L564 HydrophobicContact CG2-CD2 3.89Å; I513-L564 HydrophobicContact CG2-CG 3.63Å; I513-E567 VanDerWaalsContact CD1-OE1 3.23Å; I513-E567 WeakPolarHBondContact CD1-OE1 3.4Å
514S92.6Very high95.5Very high52 Ų5249.9 Ų49.936%0.36424%0.236SC..Hα-helixtrans-66.5-36.4176-67.80000112N512 C517 C518N512-S514 PolarHBondContact O-N 2.85Å; N512-S514 WeakPolarHBondContact OD1-CA 3.35Å; N512-S514 VanDerWaalsContact OD1-CB 3.24Å; N512-S514 WeakPolarHBondContact OD1-CB 3.3Å; N512-S514 PolarHBondContact OD1-N 3.33Å; S514-C517 WeakPolarHBondContact O-CB 3.39Å; S514-C517 PolarHBondContact O-N 3.09Å; S514-C518 PolarHBondContact O-N 3.43Å; S514-C518 VanDerWaalsContact O-N 3.1Å; S514-C518 PolarHBondContact O-SG 2.92Å; S514-C518 VanDerWaalsContact O-SG 3.33Å
515R93.9Very high95.5Very high140 Ų14048.8 Ų48.853%0.52824%0.238SC..Hα-helixtrans-70-40.6173-69.7-175.5175.9-175.9-0.4111.8E510 N512 I513 C517 C518 M519E510-R515 VanDerWaalsContact CD-CD 3.5Å; E510-R515 HydrophobicContact CG-CB 3.59Å; E510-R515 WeakPolarHBondContact OE2-CD 3.38Å; E510-R515 IonicContact OE2-NH1 2.69Å; N512-R515 HydrophobicContact CB-CB 4.16Å; N512-R515 HydrophobicContact CB-CG 4.07Å; N512-R515 WeakPolarHBondContact O-CA 3.49Å; N512-R515 WeakPolarHBondContact O-CB 3.37Å; N512-R515 PolarHBondContact O-N 2.96Å; N512-R515 PolarHBondContact OD1-N 3.36Å; N512-R515 VanDerWaalsContact OD1-N 3.1Å; I513-R515 VanDerWaalsContact C-N 3.34Å; I513-R515 PolarHBondContact O-N 2.89Å; R515-C517 VanDerWaalsContact C-N 3.29Å; R515-C517 PolarHBondContact O-N 3.26Å; R515-C518 WeakPolarHBondContact O-CB 3.35Å; R515-C518 PolarHBondContact O-N 2.94Å; R515-C518 VanDerWaalsContact O-N 3.09Å; R515-M519 WeakPolarHBondContact O-CG 3.2Å; R515-M519 PolarHBondContact O-N 3.39Å
516Q96.1Very high95.5Very high36 Ų3650.5 Ų50.517%0.16825%0.247CC..Hα-helixtrans-56.2-45.8171.2-62.8178.715.500110.8E510 N512 I513 C518 M519 H520 L560E510-Q516 HydrophobicContact CB-CG 4.08Å; E510-Q516 HydrophobicContact CG-CG 4Å; E510-Q516 PolarHBondContact O-NE2 3.17Å; N512-Q516 PolarHBondContact O-N 3.5Å; I513-Q516 WeakPolarHBondContact O-CB 3.4Å; I513-Q516 PolarHBondContact O-N 2.95Å; Q516-C518 VanDerWaalsContact C-N 3.29Å; Q516-C518 PolarHBondContact O-N 3.43Å; Q516-M519 WeakPolarHBondContact O-CB 3.32Å; Q516-M519 PolarHBondContact O-N 3.41Å; Q516-M519 VanDerWaalsContact O-N 3.1Å; Q516-H520 PolarHBondContact O-CD2 3.12Å; Q516-H520 VanDerWaalsContact O-CD2 3.26Å; Q516-H520 PolarHBondContact O-N 3.2Å; Q516-L560 HydrophobicContact CB-CD1 3.71Å
517C96.1Very high95.5Very high6 Ų650.4 Ų50.44%0.04125%0.246CC..Hα-helixtrans-56.2-43.4175-71.30000112I513 S514 R515 H520 K521 L557I513-C517 PolarHBondContact O-N 3.47Å; I513-C517 PolarHBondContact O-SG 3.41Å; S514-C517 WeakPolarHBondContact O-CB 3.39Å; S514-C517 PolarHBondContact O-N 3.09Å; R515-C517 VanDerWaalsContact C-N 3.29Å; R515-C517 PolarHBondContact O-N 3.26Å; C517-H520 PolarHBondContact O-N 3.38Å; C517-K521 VanDerWaalsContact O-CB 3.31Å; C517-K521 WeakPolarHBondContact O-CB 3.34Å; C517-K521 PolarHBondContact O-N 2.97Å; C517-L557 HydrophobicContact CB-CD1 3.66Å; C517-L557 WeakPolarHBondContact O-CD1 3.23Å
518C96.4Very high95.5Very high77 Ų7753.1 Ų53.152%0.5226%0.26SS..Hα-helixtrans-63.5-40.3177-69.50000112.1S514 R515 Q516 K521 R522S514-C518 PolarHBondContact O-N 3.43Å; S514-C518 VanDerWaalsContact O-N 3.1Å; S514-C518 PolarHBondContact O-SG 2.92Å; S514-C518 VanDerWaalsContact O-SG 3.33Å; R515-C518 WeakPolarHBondContact O-CB 3.35Å; R515-C518 PolarHBondContact O-N 2.94Å; R515-C518 VanDerWaalsContact O-N 3.09Å; Q516-C518 VanDerWaalsContact C-N 3.29Å; Q516-C518 PolarHBondContact O-N 3.43Å; C518-K521 PolarHBondContact O-N 2.96Å; C518-R522 WeakPolarHBondContact O-CG 3.24Å; C518-R522 PolarHBondContact O-N 3.33Å
519M96.8Very high95.6Very high22 Ų2254.6 Ų54.611%0.10827%0.265CS..Hα-helixtrans-62-48.9176.1-66.8-177.5-176.600111.5Y503 M506 A507 E510 R515 Q516 K521 R522 R523Y503-M519 HydrophobicContact CD1-CB 3.94Å; Y503-M519 HydrophobicContact CD1-CG 4.02Å; M506-M519 HydrophobicContact CB-SD 4.39Å; M506-M519 HydrophobicContact CG-CE 3.96Å; M506-M519 HydrophobicContact CG-SD 4.2Å; A507-M519 HydrophobicContact CB-SD 4.01Å; E510-M519 HydrophobicContact CB-CE 4.07Å; E510-M519 HydrophobicContact CG-CE 4.18Å; R515-M519 WeakPolarHBondContact O-CG 3.2Å; R515-M519 PolarHBondContact O-N 3.39Å; Q516-M519 WeakPolarHBondContact O-CB 3.32Å; Q516-M519 PolarHBondContact O-N 3.41Å; Q516-M519 VanDerWaalsContact O-N 3.1Å; M519-K521 VanDerWaalsContact C-N 3.33Å; M519-K521 PolarHBondContact O-N 3.49Å; M519-R522 WeakPolarHBondContact O-CB 3.23Å; M519-R522 PolarHBondContact O-N 3.18Å; M519-R523 PolarHBondContact O-N 3.07Å; M519-R523 VanDerWaalsContact O-N 3.13Å
520H97.7Very high95.7Very high10 Ų1054.6 Ų54.65%0.04627%0.266CS..Hα-helixtrans-66.3-34.5177.2-74.7-79.3000112.8Q516 C517 R523 I524 T556 L557Q516-H520 PolarHBondContact O-CD2 3.12Å; Q516-H520 VanDerWaalsContact O-CD2 3.26Å; Q516-H520 PolarHBondContact O-N 3.2Å; C517-H520 PolarHBondContact O-N 3.38Å; H520-R523 PolarHBondContact ND1-NH1 2.81Å; H520-R523 WeakPolarHBondContact O-CB 3.47Å; H520-R523 PolarHBondContact O-N 3.46Å; H520-I524 WeakPolarHBondContact O-CD1 3.37Å; H520-I524 VanDerWaalsContact O-CG1 3.31Å; H520-I524 WeakPolarHBondContact O-CG1 3.38Å; H520-I524 PolarHBondContact O-N 3.42Å; H520-T556 WeakPolarHBondContact CE1-CG2 3.38Å; H520-L557 HydrophobicContact CB-CB 4.13Å; H520-L557 HydrophobicContact CB-CD1 4.37Å
521K97.1Very high95.7Very high114 Ų11455.8 Ų55.850%0.49627%0.272SS..Hα-helixtrans-61.5-44.3172.3178.6161.7178.2159.90111.8C517 C518 M519 R523 I524 D525 L557C517-K521 VanDerWaalsContact O-CB 3.31Å; C517-K521 WeakPolarHBondContact O-CB 3.34Å; C517-K521 PolarHBondContact O-N 2.97Å; C518-K521 PolarHBondContact O-N 2.96Å; M519-K521 VanDerWaalsContact C-N 3.33Å; M519-K521 PolarHBondContact O-N 3.49Å; K521-R523 VanDerWaalsContact C-N 3.3Å; K521-R523 PolarHBondContact O-N 3.1Å; K521-I524 WeakPolarHBondContact O-CB 3.28Å; K521-I524 PolarHBondContact O-N 3.48Å; K521-D525 VanDerWaalsContact O-CG 3.24Å; K521-D525 PolarHBondContact O-N 3.31Å; K521-L557 HydrophobicContact CB-CD2 4.36Å
522R97.2Very high95.8Very high107 Ų10750.8 Ų50.840%0.40427%0.271SS..Hα-helixtrans-57.9-42.9174.4-71.8178.2-174.3174.83.6111.7Y503 C518 M519 I524 D525 M526Y503-R522 HydrophobicContact CE1-CB 4.47Å; Y503-R522 WeakPolarHBondContact OH-CD 3.4Å; Y503-R522 PolarHBondContact OH-NH1 3.45Å; Y503-R522 VanDerWaalsContact OH-NH1 3.12Å; C518-R522 WeakPolarHBondContact O-CG 3.24Å; C518-R522 PolarHBondContact O-N 3.33Å; M519-R522 WeakPolarHBondContact O-CB 3.23Å; M519-R522 PolarHBondContact O-N 3.18Å; R522-I524 PolarHBondContact O-N 3.28Å; R522-D525 PolarHBondContact O-N 3.41Å; R522-M526 WeakPolarHBondContact O-CE 3.28Å; R522-M526 VanDerWaalsContact O-CG 3.28Å; R522-M526 WeakPolarHBondContact O-CG 3.21Å; R522-M526 PolarHBondContact O-N 3.15Å
523R97.9Very high95.9Very high2 Ų252.3 Ų52.31%0.00828%0.275CS..Hα-helixtrans-55.9-51.2174.4-64.7178.963.1-149.2-5.3111.4S500 Y503 M519 H520 K521 D525 M526 L527 E549 A553S500-R523 WeakPolarHBondContact O-CD 3.09Å; S500-R523 PolarHBondContact O-NE 3.41Å; S500-R523 PolarHBondContact OG-NE 2.86Å; S500-R523 PolarHBondContact OG-NH2 3.1Å; Y503-R523 HydrophobicContact CG-CG 4.33Å; M519-R523 PolarHBondContact O-N 3.07Å; M519-R523 VanDerWaalsContact O-N 3.13Å; H520-R523 PolarHBondContact ND1-NH1 2.81Å; H520-R523 WeakPolarHBondContact O-CB 3.47Å; H520-R523 PolarHBondContact O-N 3.46Å; K521-R523 VanDerWaalsContact C-N 3.3Å; K521-R523 PolarHBondContact O-N 3.1Å; R523-D525 VanDerWaalsContact C-N 3.34Å; R523-D525 PolarHBondContact O-N 3.03Å; R523-M526 PolarHBondContact O-N 3.1Å; R523-L527 WeakPolarHBondContact O-CB 3.21Å; R523-L527 VanDerWaalsContact O-CG 3.27Å; R523-L527 WeakPolarHBondContact O-CG 3.41Å; R523-L527 PolarHBondContact O-N 3.17Å; R523-E549 IonicContact CZ-OE1 3.3Å; R523-E549 IonicContact NH2-OE1 3.1Å; R523-E549 PolarHBondContact NH2-OE1 3.2Å; R523-A553 HydrophobicContact CB-CB 4.45Å
524I97.9Very high95.8Very high3 Ų352 Ų522%0.01527%0.274CS..Hα-helixtrans-58-46.2179.5-69.5159.4000111.2H520 K521 R522 N528 L550 A553 L554 L557H520-I524 WeakPolarHBondContact O-CD1 3.37Å; H520-I524 VanDerWaalsContact O-CG1 3.31Å; H520-I524 WeakPolarHBondContact O-CG1 3.38Å; H520-I524 PolarHBondContact O-N 3.42Å; K521-I524 WeakPolarHBondContact O-CB 3.28Å; K521-I524 PolarHBondContact O-N 3.48Å; R522-I524 PolarHBondContact O-N 3.28Å; I524-N528 WeakPolarHBondContact CG2-ND2 3.42Å; I524-N528 WeakPolarHBondContact O-CB 3.49Å; I524-N528 PolarHBondContact O-N 3.44Å; I524-N528 PolarHBondContact O-ND2 3.34Å; I524-L550 HydrophobicContact CB-CD1 4.26Å; I524-L550 HydrophobicContact CG1-CD1 4.3Å; I524-L550 HydrophobicContact CG2-CD1 3.93Å; I524-A553 HydrophobicContact CG1-CB 3.82Å; I524-L554 HydrophobicContact CD1-CD2 3.78Å; I524-L554 HydrophobicContact CD1-CG 4.14Å; I524-L554 HydrophobicContact CG1-CD2 4.19Å; I524-L554 HydrophobicContact CG1-CG 4.18Å; I524-L554 HydrophobicContact CG2-CD2 4.07Å; I524-L557 HydrophobicContact CD1-CB 4.04Å; I524-L557 HydrophobicContact CD1-CD2 3.51Å; I524-L557 HydrophobicContact CD1-CG 4.42Å
525D97.7Very high95.7Very high83 Ų8353 Ų5344%0.44428%0.275SS..Hα-helixtrans-64.9-41.2-177.8-63.7-21.3000111K521 R522 R523 N529K521-D525 VanDerWaalsContact O-CG 3.24Å; K521-D525 PolarHBondContact O-N 3.31Å; R522-D525 PolarHBondContact O-N 3.41Å; R523-D525 VanDerWaalsContact C-N 3.34Å; R523-D525 PolarHBondContact O-N 3.03Å; D525-N529 WeakPolarHBondContact O-CB 3.39Å; D525-N529 PolarHBondContact O-N 3.49Å; D525-N529 VanDerWaalsContact O-N 3.1Å
526M96.5Very high95.5Very high41 Ų4148.9 Ų48.920%0.20227%0.267CS..Hα-helixtrans-66.8-46.7176.8-67.3-179.5-59.100112.6I496 R499 Y503 R522 R523 N529 V530I496-M526 HydrophobicContact CG2-CB 4.35Å; R499-M526 WeakPolarHBondContact CD-SD 3.45Å; R499-M526 HydrophobicContact CG-CE 4.01Å; R499-M526 HydrophobicContact CG-SD 3.99Å; Y503-M526 HydrophobicContact CD2-CE 3.74Å; Y503-M526 HydrophobicContact CE2-CE 3.85Å; R522-M526 WeakPolarHBondContact O-CE 3.28Å; R522-M526 VanDerWaalsContact O-CG 3.28Å; R522-M526 WeakPolarHBondContact O-CG 3.21Å; R522-M526 PolarHBondContact O-N 3.15Å; R523-M526 PolarHBondContact O-N 3.1Å; M526-N529 PolarHBondContact O-N 2.91Å; M526-V530 WeakPolarHBondContact O-CG2 3.45Å; M526-V530 PolarHBondContact O-N 3.07Å
527L97.4Very high95.1Very high0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-65-42-179.7-67.7171.6000111.7R523 N529 V530 L531 L546 E549 L550R523-L527 WeakPolarHBondContact O-CB 3.21Å; R523-L527 VanDerWaalsContact O-CG 3.27Å; R523-L527 WeakPolarHBondContact O-CG 3.41Å; R523-L527 PolarHBondContact O-N 3.17Å; L527-N529 PolarHBondContact O-N 3.43Å; L527-V530 PolarHBondContact O-N 3.19Å; L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.33Å; L527-L531 PolarHBondContact O-N 3.43Å; L527-L546 HydrophobicContact CD2-CD2 3.69Å; L527-E549 HydrophobicContact CD1-CB 4.22Å; L527-E549 HydrophobicContact CD1-CG 3.93Å; L527-L550 HydrophobicContact CB-CB 4.28Å; L527-L550 HydrophobicContact CB-CD1 4.24Å; L527-L550 HydrophobicContact CD1-CB 4.28Å
528N95.9Very high94.8Very high60 Ų6060.7 Ų60.732%0.32133%0.326SS..Hα-helixtrans-61.7-42.9174.9-80.6-51.3000112.1I524 V530 L531 G532 L550I524-N528 WeakPolarHBondContact CG2-ND2 3.42Å; I524-N528 WeakPolarHBondContact O-CB 3.49Å; I524-N528 PolarHBondContact O-N 3.44Å; I524-N528 PolarHBondContact O-ND2 3.34Å; N528-V530 VanDerWaalsContact C-N 3.33Å; N528-V530 PolarHBondContact O-N 3.17Å; N528-L531 PolarHBondContact O-N 2.87Å; N528-G532 PolarHBondContact O-N 3.36Å; N528-L550 WeakPolarHBondContact OD1-CD2 3.45Å
529N95.8Very high94.6Very high102 Ų10260.9 Ų60.955%0.54532%0.316SS..Hα-helixtrans-61.1-43.2-179.4-174.622.9000111.7D525 M526 L527 Q533D525-N529 WeakPolarHBondContact O-CB 3.39Å; D525-N529 PolarHBondContact O-N 3.49Å; D525-N529 VanDerWaalsContact O-N 3.1Å; M526-N529 PolarHBondContact O-N 2.91Å; L527-N529 PolarHBondContact O-N 3.43Å; N529-Q533 WeakPolarHBondContact O-CG 3.48Å; N529-Q533 PolarHBondContact O-NE2 3.07Å; N529-Q533 PolarHBondContact OD1-NE2 3.37Å
530V95.3Very high94.4Very high3 Ų362.6 Ų62.62%0.01833%0.325CS..Hα-helixtrans-68.5-47.1177.91780000111.3I493 I496 M526 L527 N528 G532 Q533 L534 L546I493-V530 HydrophobicContact CG1-CG1 4.04Å; I496-V530 HydrophobicContact CB-CG2 4.38Å; I496-V530 HydrophobicContact CD1-CG2 3.27Å; I496-V530 HydrophobicContact CG1-CG2 4.33Å; I496-V530 HydrophobicContact CG2-CG2 3.88Å; M526-V530 WeakPolarHBondContact O-CG2 3.45Å; M526-V530 PolarHBondContact O-N 3.07Å; L527-V530 PolarHBondContact O-N 3.19Å; N528-V530 VanDerWaalsContact C-N 3.33Å; N528-V530 PolarHBondContact O-N 3.17Å; V530-G532 PolarHBondContact O-N 2.76Å; V530-Q533 PolarHBondContact O-N 3.01Å; V530-L534 HydrophobicContact CG1-CD1 3.89Å; V530-L534 HydrophobicContact CG1-CG 4.15Å; V530-L534 WeakPolarHBondContact O-CG 3.48Å; V530-L534 PolarHBondContact O-N 2.84Å; V530-L546 HydrophobicContact CG1-CD1 3.84Å
531L95.1Very high94.2Very high36 Ų3668.4 Ų68.419%0.18835%0.352CS..Hα-helixtrans-56.6-35.9178.5-80.9168.9000112.5L527 N528 Q533 L534 C543 L546 L550L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.33Å; L527-L531 PolarHBondContact O-N 3.43Å; N528-L531 PolarHBondContact O-N 2.87Å; L531-Q533 PolarHBondContact O-N 3.33Å; L531-L534 PolarHBondContact O-N 2.87Å; L531-C543 HydrophobicContact CD2-CB 4.46Å; L531-L546 HydrophobicContact CD1-CB 4.17Å; L531-L546 HydrophobicContact CD2-CB 3.67Å; L531-L546 HydrophobicContact CD2-CD1 4.21Å; L531-L546 HydrophobicContact CG-CB 3.86Å; L531-L546 HydrophobicContact CG-CD1 4.4Å; L531-L550 HydrophobicContact CD1-CB 4.42Å; L531-L550 HydrophobicContact CD1-CD2 3.75Å
532G93.2Very high94Very high71 Ų7164.3 Ų64.373%0.73234%0.336SS*.THydrogen-bonded Turntrans-68.9-15.8176.100000115N528 V530N528-G532 PolarHBondContact O-N 3.36Å; V530-G532 PolarHBondContact O-N 2.76Å
533Q93.6Very high93.9Very high110 Ų11059.4 Ų59.451%0.51432%0.318SS..THydrogen-bonded Turntrans-100.2-17.2-180-66.6175.855.100113.1N529 V530 L531N529-Q533 WeakPolarHBondContact O-CG 3.48Å; N529-Q533 PolarHBondContact O-NE2 3.07Å; N529-Q533 PolarHBondContact OD1-NE2 3.37Å; V530-Q533 PolarHBondContact O-N 3.01Å; L531-Q533 PolarHBondContact O-N 3.33Å
534L92.8Very high93.7Very high18 Ų1860.9 Ų60.99%0.09432%0.323CS..  trans-88140.5-176.6-62.1179.5000111.8I493 V530 L531 P536 Y539 L546I493-L534 HydrophobicContact CD1-CD1 3.78Å; I493-L534 HydrophobicContact CD1-CD2 3.71Å; I493-L534 HydrophobicContact CD1-CG 4.38Å; I493-L534 HydrophobicContact CG1-CD1 4.45Å; I493-L534 HydrophobicContact CG1-CD2 4.5Å; V530-L534 HydrophobicContact CG1-CD1 3.89Å; V530-L534 HydrophobicContact CG1-CG 4.15Å; V530-L534 WeakPolarHBondContact O-CG 3.48Å; V530-L534 PolarHBondContact O-N 2.84Å; L531-L534 PolarHBondContact O-N 2.87Å; L534-P536 WeakPolarHBondContact O-CD 3.47Å; L534-Y539 HydrophobicContact CD2-CD2 4.19Å; L534-L546 HydrophobicContact CD1-CD1 3.68Å
535N90.1Very high93.6Very high71 Ų7165.6 Ų65.638%0.3835%0.345SS..  trans-87.4114.6167.8-175.2-20.9000109.5N537 H538 Y539N535-N537 PolarHBondContact O-N 2.69Å; N535-N537 VanDerWaalsContact O-N 3.1Å; N535-N537 WeakPolarHBondContact OD1-CB 3.34Å; N535-N537 PolarHBondContact OD1-N 2.77Å; N535-H538 PolarHBondContact ND2-ND1 3.24Å; N535-H538 PolarHBondContact O-N 2.96Å; N535-H538 VanDerWaalsContact O-N 3.09Å; N535-Y539 PolarHBondContact O-N 2.95Å; N535-Y539 VanDerWaalsContact O-N 3.15Å
536P89.3Confident93.5Very high55 Ų5561.7 Ų61.736%0.35732%0.324SS..THydrogen-bonded Turntrans-57.6-26.7-178.5-25.735.6000114.2L534 H538 L540 L600L534-P536 WeakPolarHBondContact O-CD 3.47Å; P536-H538 VanDerWaalsContact C-N 3.31Å; P536-H538 PolarHBondContact O-N 3.07Å; P536-L540 WeakPolarHBondContact O-CA 3.26Å; P536-L540 VanDerWaalsContact O-CB 3.26Å; P536-L540 WeakPolarHBondContact O-CB 3.37Å; P536-L540 PolarHBondContact O-N 2.63Å; P536-L540 VanDerWaalsContact O-N 3.07Å; P536-L600 HydrophobicContact CB-CD2 4.39Å
537N88.2Confident93.6Very high146 Ų14659.9 Ų59.978%0.78132%0.315SS*.THydrogen-bonded Turntrans-68.3-29.9-179.9-64.4-22.6000112.9N535N535-N537 PolarHBondContact O-N 2.69Å; N535-N537 VanDerWaalsContact O-N 3.1Å; N535-N537 WeakPolarHBondContact OD1-CB 3.34Å; N535-N537 PolarHBondContact OD1-N 2.77Å
538H89.9Confident93.5Very high144 Ų14461.7 Ų61.767%0.66732%0.323SS*.THydrogen-bonded Turntrans-97.9-31.3-178.3-66.187000112.4N535 P536N535-H538 PolarHBondContact ND2-ND1 3.24Å; N535-H538 PolarHBondContact O-N 2.96Å; N535-H538 VanDerWaalsContact O-N 3.09Å; P536-H538 VanDerWaalsContact C-N 3.31Å; P536-H538 PolarHBondContact O-N 3.07Å
539Y92.2Very high93.5Very high80 Ų8060.1 Ų60.131%0.31431%0.314SS..SBendtrans-12133.4-172.6-58.9-73.6000112.2C489 L534 N535 H541 L542 C543C489-Y539 HydrophobicContact CB-CE1 4.46Å; L534-Y539 HydrophobicContact CD2-CD2 4.19Å; N535-Y539 PolarHBondContact O-N 2.95Å; N535-Y539 VanDerWaalsContact O-N 3.15Å; Y539-H541 VanDerWaalsContact C-N 3.3Å; Y539-H541 PolarHBondContact O-N 3.33Å; Y539-L542 HydrophobicContact CD1-CD1 4Å; Y539-L542 PolarHBondContact O-N 3.37Å; Y539-C543 PolarHBondContact O-N 3.47Å; Y539-C543 PolarHBondContact O-SG 3.35Å
540L92.4Very high93.6Very high59 Ų5955.4 Ų55.431%0.30929%0.289SS..Hα-helixtrans-50.3-47.3-171.8-176.458.3000113.1P536 L542 C543 R544 L600P536-L540 WeakPolarHBondContact O-CA 3.26Å; P536-L540 VanDerWaalsContact O-CB 3.26Å; P536-L540 WeakPolarHBondContact O-CB 3.37Å; P536-L540 PolarHBondContact O-N 2.63Å; P536-L540 VanDerWaalsContact O-N 3.07Å; L540-L542 PolarHBondContact O-N 3.15Å; L540-C543 PolarHBondContact O-N 3.08Å; L540-R544 WeakPolarHBondContact O-CG 3.35Å; L540-R544 PolarHBondContact O-N 2.93Å; L540-L600 HydrophobicContact CD1-CB 4.45Å; L540-L600 HydrophobicContact CD1-CD2 4.11Å
541H92Very high93.7Very high132 Ų13255.2 Ų55.261%0.61129%0.288SS*.Hα-helixtrans-61.9-42.1179.2-66.9-71.9000112.5Y539 R544 Q545Y539-H541 VanDerWaalsContact C-N 3.3Å; Y539-H541 PolarHBondContact O-N 3.33Å; H541-R544 PolarHBondContact O-N 2.67Å; H541-Q545 WeakPolarHBondContact O-CG 3.4Å; H541-Q545 PolarHBondContact O-N 3.28Å; H541-Q545 VanDerWaalsContact O-N 3.09Å
542L93.5Very high93.8Very high28 Ų2857.1 Ų57.115%0.14730%0.296CS..Hα-helixtrans-68.9-39.9176.5-63.3175.3000111.1I490 I493 Y539 L540 R544 Q545 L546I490-L542 HydrophobicContact CG1-CD1 4.47Å; I493-L542 HydrophobicContact CD1-CD1 3.57Å; I493-L542 HydrophobicContact CG2-CD2 4.41Å; Y539-L542 HydrophobicContact CD1-CD1 4Å; Y539-L542 PolarHBondContact O-N 3.37Å; L540-L542 PolarHBondContact O-N 3.15Å; L542-R544 VanDerWaalsContact C-N 3.3Å; L542-R544 PolarHBondContact O-N 3.24Å; L542-Q545 PolarHBondContact O-N 3.19Å; L542-L546 WeakPolarHBondContact O-CB 3.47Å; L542-L546 VanDerWaalsContact O-CG 3.26Å; L542-L546 WeakPolarHBondContact O-CG 3.27Å; L542-L546 PolarHBondContact O-N 2.88Å
543C95.4Very high94Very high4 Ų453.7 Ų53.73%0.02726%0.261CS..Hα-helixtrans-60.3-42.2175.7-65.10000111L531 Y539 L540 T547 L600L531-C543 HydrophobicContact CD2-CB 4.46Å; Y539-C543 PolarHBondContact O-N 3.47Å; Y539-C543 PolarHBondContact O-SG 3.35Å; L540-C543 PolarHBondContact O-N 3.08Å; C543-T547 WeakPolarHBondContact O-CB 3.37Å; C543-T547 PolarHBondContact O-N 3.02Å; C543-T547 PolarHBondContact O-OG1 3.26Å; C543-L600 HydrophobicContact CB-CD1 4.36Å
544R94.4Very high94.2Very high32 Ų3248.5 Ų48.512%0.12124%0.237CC..Hα-helixtrans-60.1-50.4174.5-73.2166.5173.5-177.33.2111.5L540 H541 L542 T547 F548 F597 L600 Y601L540-R544 WeakPolarHBondContact O-CG 3.35Å; L540-R544 PolarHBondContact O-N 2.93Å; H541-R544 PolarHBondContact O-N 2.67Å; L542-R544 VanDerWaalsContact C-N 3.3Å; L542-R544 PolarHBondContact O-N 3.24Å; R544-T547 PolarHBondContact O-N 2.93Å; R544-F548 WeakPolarHBondContact O-CB 3.42Å; R544-F548 PolarHBondContact O-N 2.97Å; R544-F597 HydrophobicContact CB-CE2 4.12Å; R544-F597 WeakPolarHBondContact O-CD2 3.47Å; R544-F597 WeakPolarHBondContact O-CE2 3.43Å; R544-L600 HydrophobicContact CG-CB 3.99Å; R544-L600 HydrophobicContact CG-CD1 4.21Å; R544-L600 PolarHBondContact NE-O 3.07Å; R544-L600 VanDerWaalsContact NE-O 3.16Å; R544-L600 PolarHBondContact NH2-O 3.44Å; R544-Y601 HydrophobicContact CB-CE2 4.19Å; R544-Y601 VanDerWaalsContact CD-CE2 3.45Å; R544-Y601 HydrophobicContact CG-CD2 4.22Å; R544-Y601 HydrophobicContact CG-CE2 3.71Å
545Q94.8Very high94.3Very high103 Ų10348.3 Ų48.348%0.48124%0.237SC..Hα-helixtrans-59.2-50.4178.7-71.6175.6-13.400112.5H541 L542 T547 F548 E549H541-Q545 WeakPolarHBondContact O-CG 3.4Å; H541-Q545 PolarHBondContact O-N 3.28Å; H541-Q545 VanDerWaalsContact O-N 3.09Å; L542-Q545 PolarHBondContact O-N 3.19Å; Q545-T547 PolarHBondContact O-N 3.47Å; Q545-F548 PolarHBondContact O-N 3.24Å; Q545-E549 PolarHBondContact O-N 3.13Å
546L96.6Very high94.6Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-65.4-38.1-179.4-67.9172.3000112I493 Q497 L527 V530 L531 L534 L542 E549 L550I493-L546 HydrophobicContact CG2-CD1 4.08Å; I493-L546 HydrophobicContact CG2-CD2 4.32Å; Q497-L546 HydrophobicContact CG-CD2 3.7Å; L527-L546 HydrophobicContact CD2-CD2 3.69Å; V530-L546 HydrophobicContact CG1-CD1 3.84Å; L531-L546 HydrophobicContact CD1-CB 4.17Å; L531-L546 HydrophobicContact CD2-CB 3.67Å; L531-L546 HydrophobicContact CD2-CD1 4.21Å; L531-L546 HydrophobicContact CG-CB 3.86Å; L531-L546 HydrophobicContact CG-CD1 4.4Å; L534-L546 HydrophobicContact CD1-CD1 3.68Å; L542-L546 WeakPolarHBondContact O-CB 3.47Å; L542-L546 VanDerWaalsContact O-CG 3.26Å; L542-L546 WeakPolarHBondContact O-CG 3.27Å; L542-L546 PolarHBondContact O-N 2.88Å; L546-E549 PolarHBondContact O-N 3.27Å; L546-L550 VanDerWaalsContact O-CB 3.23Å; L546-L550 WeakPolarHBondContact O-CB 3.44Å; L546-L550 PolarHBondContact O-N 3.45Å
547T96.9Very high95Very high3 Ų345.2 Ų45.22%0.01822%0.219CC..Hα-helixtrans-66.1-42.5177.8-58.20000110.8C543 R544 Q545 L550 A551 V593 F597 L600C543-T547 WeakPolarHBondContact O-CB 3.37Å; C543-T547 PolarHBondContact O-N 3.02Å; C543-T547 PolarHBondContact O-OG1 3.26Å; R544-T547 PolarHBondContact O-N 2.93Å; Q545-T547 PolarHBondContact O-N 3.47Å; T547-L550 PolarHBondContact O-N 3.23Å; T547-A551 PolarHBondContact O-N 2.93Å; T547-A551 VanDerWaalsContact O-N 3.08Å; T547-V593 HydrophobicContact CG2-CG1 3.6Å; T547-V593 WeakPolarHBondContact CG2-O 3.43Å; T547-V593 VanDerWaalsContact O-CG1 3.27Å; T547-V593 WeakPolarHBondContact O-CG1 3.47Å; T547-F597 HydrophobicContact CG2-CB 3.83Å; T547-L600 HydrophobicContact CG2-CD1 4.49Å
548F95.9Very high95.3Very high38 Ų3838.8 Ų38.817%0.16718%0.184CC..Hα-helixtrans-62.3-48.9175.1-168.9-89.9000111.4R544 Q545 L550 A551 E552 F597 P618 V621 T622R544-F548 WeakPolarHBondContact O-CB 3.42Å; R544-F548 PolarHBondContact O-N 2.97Å; Q545-F548 PolarHBondContact O-N 3.24Å; F548-L550 VanDerWaalsContact C-N 3.31Å; F548-L550 PolarHBondContact O-N 3.46Å; F548-A551 WeakPolarHBondContact O-CB 3.25Å; F548-A551 PolarHBondContact O-N 2.93Å; F548-A551 VanDerWaalsContact O-N 3.13Å; F548-E552 HydrophobicContact CD1-CG 4.15Å; F548-E552 VanDerWaalsContact CE1-CD 3.48Å; F548-E552 HydrophobicContact CE1-CG 3.88Å; F548-E552 WeakPolarHBondContact CE1-OE1 3.47Å; F548-E552 PolarHBondContact O-N 3.41Å; F548-F597 HydrophobicContact CB-CD2 3.93Å; F548-F597 HydrophobicContact CB-CE2 3.75Å; F548-F597 HydrophobicContact CB-CZ 4.45Å; F548-F597 HydrophobicContact CD2-CD1 4.48Å; F548-F597 HydrophobicContact CD2-CD2 4.33Å; F548-F597 HydrophobicContact CD2-CE1 4.11Å; F548-F597 AromaticContact CD2-CE2 3.96Å; F548-F597 HydrophobicContact CD2-CE2 3.96Å; F548-F597 AromaticContact CD2-CZ 3.84Å; F548-F597 HydrophobicContact CD2-CZ 3.84Å; F548-F597 HydrophobicContact CG-CE2 4.29Å; F548-P618 HydrophobicContact CE2-CB 4.47Å; F548-V621 HydrophobicContact CE2-CG1 4.34Å; F548-V621 HydrophobicContact CZ-CG1 3.93Å; F548-T622 WeakPolarHBondContact CE2-OG1 3.38Å
549E96.9Very high95.5Very high27 Ų2735.3 Ų35.313%0.12617%0.17CC..Hα-helixtrans-62-38.8179.3-167.8-174.4165.300112.4S500 R523 L527 Q545 L546 A551 E552 A553S500-E549 WeakPolarHBondContact CB-OE1 3.26Å; S500-E549 PolarHBondContact OG-OE1 3.5Å; R523-E549 IonicContact CZ-OE1 3.3Å; R523-E549 IonicContact NH2-OE1 3.1Å; R523-E549 PolarHBondContact NH2-OE1 3.2Å; L527-E549 HydrophobicContact CD1-CB 4.22Å; L527-E549 HydrophobicContact CD1-CG 3.93Å; Q545-E549 PolarHBondContact O-N 3.13Å; L546-E549 PolarHBondContact O-N 3.27Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 3.25Å; E549-E552 PolarHBondContact O-N 3.16Å; E549-A553 WeakPolarHBondContact O-CB 3.34Å; E549-A553 PolarHBondContact O-N 3.12Å
550L98Very high95.6Very high3 Ų332 Ų322%0.01616%0.158CC..Hα-helixtrans-61.3-43.2175.3172.263.1000111.3I524 L527 N528 L531 L546 T547 F548 A553 L554 V593I524-L550 HydrophobicContact CB-CD1 4.26Å; I524-L550 HydrophobicContact CG1-CD1 4.3Å; I524-L550 HydrophobicContact CG2-CD1 3.93Å; L527-L550 HydrophobicContact CB-CB 4.28Å; L527-L550 HydrophobicContact CB-CD1 4.24Å; L527-L550 HydrophobicContact CD1-CB 4.28Å; N528-L550 WeakPolarHBondContact OD1-CD2 3.45Å; L531-L550 HydrophobicContact CD1-CB 4.42Å; L531-L550 HydrophobicContact CD1-CD2 3.75Å; L546-L550 VanDerWaalsContact O-CB 3.23Å; L546-L550 WeakPolarHBondContact O-CB 3.44Å; L546-L550 PolarHBondContact O-N 3.45Å; T547-L550 PolarHBondContact O-N 3.23Å; F548-L550 VanDerWaalsContact C-N 3.31Å; F548-L550 PolarHBondContact O-N 3.46Å; L550-A553 PolarHBondContact O-N 3.37Å; L550-L554 HydrophobicContact CD1-CD1 4.16Å; L550-L554 HydrophobicContact CD1-CG 4.33Å; L550-L554 HydrophobicContact CG-CD1 4.1Å; L550-L554 WeakPolarHBondContact O-CG 3.42Å; L550-L554 PolarHBondContact O-N 3.17Å; L550-V593 HydrophobicContact CB-CG1 4.27Å; L550-V593 HydrophobicContact CD2-CG1 3.89Å; L550-V593 HydrophobicContact CD2-CG2 3.98Å; L550-V593 HydrophobicContact CG-CG1 4.03Å; L550-V593 HydrophobicContact CG-CG2 4.36Å
551A97.3Very high95.6Very high0 Ų030.1 Ų30.10%015%0.147CC..Hα-helixtrans-65.7-40.6178.900000112T547 F548 E549 L554 S555 V593 Y594T547-A551 PolarHBondContact O-N 2.93Å; T547-A551 VanDerWaalsContact O-N 3.08Å; F548-A551 WeakPolarHBondContact O-CB 3.25Å; F548-A551 PolarHBondContact O-N 2.93Å; F548-A551 VanDerWaalsContact O-N 3.13Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 3.25Å; A551-L554 PolarHBondContact O-N 2.81Å; A551-S555 WeakPolarHBondContact O-CB 3.31Å; A551-S555 PolarHBondContact O-N 3.25Å; A551-S555 PolarHBondContact O-OG 2.96Å; A551-V593 HydrophobicContact CB-CB 4.22Å; A551-V593 HydrophobicContact CB-CG1 3.81Å; A551-Y594 HydrophobicContact CB-CD1 3.46Å; A551-Y594 VanDerWaalsContact CB-CD1 3.46Å; A551-Y594 HydrophobicContact CB-CD2 3.9Å; A551-Y594 HydrophobicContact CB-CE1 3.27Å; A551-Y594 HydrophobicContact CB-CE2 3.71Å; A551-Y594 HydrophobicContact CB-CG 3.77Å
552E96.2Very high95.5Very high75 Ų7528 Ų2835%0.3513%0.134SC..Hα-helixtrans-63-41.8172.6-70-170135.900112F548 E549 S555 T556F548-E552 HydrophobicContact CD1-CG 4.15Å; F548-E552 VanDerWaalsContact CE1-CD 3.48Å; F548-E552 HydrophobicContact CE1-CG 3.88Å; F548-E552 WeakPolarHBondContact CE1-OE1 3.47Å; F548-E552 PolarHBondContact O-N 3.41Å; E549-E552 PolarHBondContact O-N 3.16Å; E552-S555 PolarHBondContact O-N 2.9Å; E552-T556 WeakPolarHBondContact O-CB 3.29Å; E552-T556 PolarHBondContact O-N 3.49Å; E552-T556 PolarHBondContact O-OG1 3.26Å
553A97.3Very high95.4Very high0 Ų032.1 Ų32.10%015%0.151CC..Hα-helixtrans-65.2-40.4178.600000111.9R523 I524 E549 L550 L557R523-A553 HydrophobicContact CB-CB 4.45Å; I524-A553 HydrophobicContact CG1-CB 3.82Å; E549-A553 WeakPolarHBondContact O-CB 3.34Å; E549-A553 PolarHBondContact O-N 3.12Å; L550-A553 PolarHBondContact O-N 3.37Å; A553-L557 WeakPolarHBondContact O-CB 3.37Å; A553-L557 PolarHBondContact O-N 3.14Å
554L97.7Very high95.1Very high1 Ų132.8 Ų32.81%0.00515%0.154CC..Hα-helixtrans-63.3-46.3173.5-76164.5000111.8I524 L550 A551 L557 R558 L586 R589 A590 V593I524-L554 HydrophobicContact CD1-CD2 3.78Å; I524-L554 HydrophobicContact CD1-CG 4.14Å; I524-L554 HydrophobicContact CG1-CD2 4.19Å; I524-L554 HydrophobicContact CG1-CG 4.18Å; I524-L554 HydrophobicContact CG2-CD2 4.07Å; L550-L554 HydrophobicContact CD1-CD1 4.16Å; L550-L554 HydrophobicContact CD1-CG 4.33Å; L550-L554 HydrophobicContact CG-CD1 4.1Å; L550-L554 WeakPolarHBondContact O-CG 3.42Å; L550-L554 PolarHBondContact O-N 3.17Å; A551-L554 PolarHBondContact O-N 2.81Å; L554-L557 PolarHBondContact O-N 3.46Å; L554-R558 WeakPolarHBondContact O-CB 3.35Å; L554-R558 PolarHBondContact O-N 3.01Å; L554-L586 HydrophobicContact CD2-CD2 4.02Å; L554-R589 HydrophobicContact CD1-CB 4.39Å; L554-R589 HydrophobicContact CD2-CB 4.35Å; L554-A590 HydrophobicContact CB-CB 3.86Å; L554-V593 HydrophobicContact CD1-CB 4.39Å; L554-V593 HydrophobicContact CD1-CG2 3.77Å
555S96.2Very high94.8Very high14 Ų1432.3 Ų32.310%0.09815%0.154CC..Hα-helixtrans-61.4-45.4178-57.50000111A551 E552 L557 R558 D559A551-S555 WeakPolarHBondContact O-CB 3.31Å; A551-S555 PolarHBondContact O-N 3.25Å; A551-S555 PolarHBondContact O-OG 2.96Å; E552-S555 PolarHBondContact O-N 2.9Å; S555-L557 PolarHBondContact O-N 3.31Å; S555-R558 WeakPolarHBondContact O-CB 3.4Å; S555-R558 PolarHBondContact O-N 3.13Å; S555-D559 PolarHBondContact O-N 3.2Å
556T96.3Very high94.4Very high50 Ų5032.7 Ų32.731%0.30716%0.159SC..Hα-helixtrans-60.4-46.5175.6-51.20000111.5H520 E552 R558 D559 L560H520-T556 WeakPolarHBondContact CE1-CG2 3.38Å; E552-T556 WeakPolarHBondContact O-CB 3.29Å; E552-T556 PolarHBondContact O-N 3.49Å; E552-T556 PolarHBondContact O-OG1 3.26Å; T556-R558 PolarHBondContact O-N 3.02Å; T556-D559 PolarHBondContact O-N 3.35Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.72Å
557L96.6Very high93.8Very high11 Ų1138.9 Ų38.96%0.05819%0.188CC..Hα-helixtrans-61.8-36.6178.4178.958.6000111.7C517 H520 K521 I524 A553 L554 S555 L560 K561 L586C517-L557 HydrophobicContact CB-CD1 3.66Å; C517-L557 WeakPolarHBondContact O-CD1 3.23Å; H520-L557 HydrophobicContact CB-CB 4.13Å; H520-L557 HydrophobicContact CB-CD1 4.37Å; K521-L557 HydrophobicContact CB-CD2 4.36Å; I524-L557 HydrophobicContact CD1-CB 4.04Å; I524-L557 HydrophobicContact CD1-CD2 3.51Å; I524-L557 HydrophobicContact CD1-CG 4.42Å; A553-L557 WeakPolarHBondContact O-CB 3.37Å; A553-L557 PolarHBondContact O-N 3.14Å; L554-L557 PolarHBondContact O-N 3.46Å; S555-L557 PolarHBondContact O-N 3.31Å; L557-L560 PolarHBondContact O-N 2.82Å; L557-K561 WeakPolarHBondContact O-CG 3.18Å; L557-K561 PolarHBondContact O-N 3.48Å; L557-L586 HydrophobicContact CB-CD1 4.49Å; L557-L586 HydrophobicContact CD2-CD1 4.14Å; L557-L586 HydrophobicContact CD2-CD2 3.79Å; L557-L586 HydrophobicContact CG-CD1 3.8Å; L557-L586 HydrophobicContact CG-CD2 4.25Å
558R94.8Very high93Very high10 Ų1040.3 Ų40.34%0.03820%0.195CC..Hα-helixtrans-63.6-46175.4-178.2-85.9-122.7164.12.2111.5L554 S555 T556 L560 K561 R562 S583 L586 T587L554-R558 WeakPolarHBondContact O-CB 3.35Å; L554-R558 PolarHBondContact O-N 3.01Å; S555-R558 WeakPolarHBondContact O-CB 3.4Å; S555-R558 PolarHBondContact O-N 3.13Å; T556-R558 PolarHBondContact O-N 3.02Å; R558-L560 VanDerWaalsContact C-N 3.3Å; R558-L560 PolarHBondContact O-N 3.22Å; R558-K561 CarbonylContact O-C 3.34Å; R558-K561 WeakPolarHBondContact O-CB 3.36Å; R558-K561 PolarHBondContact O-N 3.04Å; R558-K561 VanDerWaalsContact O-N 3.07Å; R558-R562 PolarHBondContact O-N 3.02Å; R558-S583 WeakPolarHBondContact CG-O 3.34Å; R558-L586 HydrophobicContact CB-CB 3.82Å; R558-L586 HydrophobicContact CB-CD1 4.37Å; R558-L586 HydrophobicContact CG-CB 4.17Å; R558-T587 WeakPolarHBondContact CG-OG1 3.1Å; R558-T587 PolarHBondContact NE-OG1 3.09Å
559D94Very high91.9Very high72 Ų7242.6 Ų42.639%0.38521%0.213SC..Hα-helixtrans-63.3-38178.7-65.5-21.5000111.6S555 T556 K561 R562 K563S555-D559 PolarHBondContact O-N 3.2Å; T556-D559 PolarHBondContact O-N 3.35Å; D559-K561 VanDerWaalsContact C-N 3.35Å; D559-K561 PolarHBondContact O-N 3.31Å; D559-R562 PolarHBondContact O-N 3.4Å; D559-K563 WeakPolarHBondContact O-CG 3.34Å; D559-K563 PolarHBondContact O-N 2.75Å
560L94.1Very high90.4Very high9 Ų950 Ų505%0.04725%0.253CS..Hα-helixtrans-64.1-38.1172.2-64.4177.3000112.7I513 Q516 T556 L557 R558 R562 K563 L564I513-L560 HydrophobicContact CG2-CB 4.13Å; I513-L560 HydrophobicContact CG2-CD2 4.25Å; Q516-L560 HydrophobicContact CB-CD1 3.71Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.72Å; L557-L560 PolarHBondContact O-N 2.82Å; R558-L560 VanDerWaalsContact C-N 3.3Å; R558-L560 PolarHBondContact O-N 3.22Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-K563 PolarHBondContact O-N 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 2.77Å; L560-L564 VanDerWaalsContact O-N 3.09Å
561K92.4Very high88.6Confident21 Ų2159.6 Ų59.69%0.09130%0.295CS..Hα-helixtrans-68.6-32.8174.7-71.8-70.2165.1-149.70112.2L557 R558 D559 L564 L565 Y579 K582 L586L557-K561 WeakPolarHBondContact O-CG 3.18Å; L557-K561 PolarHBondContact O-N 3.48Å; R558-K561 CarbonylContact O-C 3.34Å; R558-K561 WeakPolarHBondContact O-CB 3.36Å; R558-K561 PolarHBondContact O-N 3.04Å; R558-K561 VanDerWaalsContact O-N 3.07Å; D559-K561 VanDerWaalsContact C-N 3.35Å; D559-K561 PolarHBondContact O-N 3.31Å; K561-L564 HydrophobicContact CD-CD1 4.29Å; K561-L565 PolarHBondContact O-N 2.67Å; K561-L565 VanDerWaalsContact O-N 3.1Å; K561-Y579 HydrophobicContact CD-CD1 3.95Å; K561-Y579 HydrophobicContact CD-CE1 4.17Å; K561-K582 HydrophobicContact CD-CD 4.23Å; K561-L586 HydrophobicContact CB-CD1 4.43Å; K561-L586 HydrophobicContact CG-CD1 3.87Å
562R90.9Very high87.1Confident87 Ų8764.5 Ų64.533%0.32832%0.318SS..Hα-helixtrans-68.3-43.8172.9-173.556.8176.4-112.61.6111.5R558 D559 L560 L564 L565 D566R558-R562 PolarHBondContact O-N 3.02Å; D559-R562 PolarHBondContact O-N 3.4Å; L560-R562 VanDerWaalsContact C-N 3.32Å; R562-L564 VanDerWaalsContact C-N 3.31Å; R562-L564 PolarHBondContact O-N 2.92Å; R562-L565 WeakPolarHBondContact O-CA 3.41Å; R562-L565 VanDerWaalsContact O-CB 3.25Å; R562-L565 WeakPolarHBondContact O-CB 3.3Å; R562-L565 PolarHBondContact O-N 3.09Å; R562-D566 IonicContact NE-OD1 3.46Å; R562-D566 PolarHBondContact NE-OD1 3.47Å; R562-D566 VanDerWaalsContact O-CG 3.23Å; R562-D566 PolarHBondContact O-N 3.32Å
563K91.2Very high85.7Confident115 Ų11563.3 Ų63.350%0.533%0.326SS..Hα-helixtrans-56.1-43.7172.5-71.6179.4-179.2-176.50112.6I513 D559 L560 L565 D566 E567I513-K563 HydrophobicContact CD1-CB 4.32Å; D559-K563 WeakPolarHBondContact O-CG 3.34Å; D559-K563 PolarHBondContact O-N 2.75Å; L560-K563 PolarHBondContact O-N 3.25Å; K563-L565 VanDerWaalsContact C-N 3.28Å; K563-L565 PolarHBondContact O-N 3.01Å; K563-D566 PolarHBondContact O-N 3.13Å; K563-E567 WeakPolarHBondContact O-CG 3.47Å; K563-E567 PolarHBondContact O-N 3.41Å
564L89.4Confident84.5Confident17 Ų1771.9 Ų71.99%0.08937%0.365CS..Hα-helixtrans-62.6-33.7174-73.3171000112.8I513 L560 K561 R562 I568 Y579I513-L564 HydrophobicContact CB-CD2 3.95Å; I513-L564 HydrophobicContact CB-CG 4.27Å; I513-L564 HydrophobicContact CG2-CD1 4.03Å; I513-L564 HydrophobicContact CG2-CD2 3.89Å; I513-L564 HydrophobicContact CG2-CG 3.63Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 2.77Å; L560-L564 VanDerWaalsContact O-N 3.09Å; K561-L564 HydrophobicContact CD-CD1 4.29Å; R562-L564 VanDerWaalsContact C-N 3.31Å; R562-L564 PolarHBondContact O-N 2.92Å; L564-I568 VanDerWaalsContact O-CD1 3.28Å; L564-I568 WeakPolarHBondContact O-CD1 3.44Å; L564-I568 VanDerWaalsContact O-CG1 3.25Å; L564-I568 WeakPolarHBondContact O-CG1 3.42Å; L564-Y579 HydrophobicContact CB-CD1 4.21Å; L564-Y579 HydrophobicContact CB-CE1 4.12Å; L564-Y579 HydrophobicContact CD1-CE1 3.88Å
565L87.3Confident83.4Confident23 Ų2374.6 Ų74.612%0.1238%0.381CS..Hα-helixtrans-66.5-41.9174.4178.262.6000111.2K561 R562 K563 E567 I568 S576 A580 I634K561-L565 PolarHBondContact O-N 2.67Å; K561-L565 VanDerWaalsContact O-N 3.1Å; R562-L565 WeakPolarHBondContact O-CA 3.41Å; R562-L565 VanDerWaalsContact O-CB 3.25Å; R562-L565 WeakPolarHBondContact O-CB 3.3Å; R562-L565 PolarHBondContact O-N 3.09Å; K563-L565 VanDerWaalsContact C-N 3.28Å; K563-L565 PolarHBondContact O-N 3.01Å; L565-E567 VanDerWaalsContact C-N 3.33Å; L565-E567 PolarHBondContact O-N 3.1Å; L565-I568 PolarHBondContact O-N 3.35Å; L565-S576 VanDerWaalsContact CD1-O 3.3Å; L565-S576 WeakPolarHBondContact CD1-O 3.48Å; L565-S576 VanDerWaalsContact CD1-OG 3.28Å; L565-S576 WeakPolarHBondContact CD1-OG 3.38Å; L565-A580 HydrophobicContact CD2-CB 4.09Å; L565-I634 HydrophobicContact CD2-CD1 4.33Å
566D85.6Confident82.5Confident110 Ų11076.1 Ų76.159%0.58839%0.392SS*.Hα-helixtrans-71-27.1-177.9-56.9-27.1000112.3R562 K563R562-D566 IonicContact NE-OD1 3.46Å; R562-D566 PolarHBondContact NE-OD1 3.47Å; R562-D566 VanDerWaalsContact O-CG 3.23Å; R562-D566 PolarHBondContact O-N 3.32Å; K563-D566 PolarHBondContact O-N 3.13Å
567E85.1Confident81.9Confident130 Ų13075.3 Ų75.361%0.60739%0.39SS*.THydrogen-bonded Turntrans-78.8-15.2176.1-74177.8-179.400114.1I513 K563 L565 P569I513-E567 VanDerWaalsContact CD1-OE1 3.23Å; I513-E567 WeakPolarHBondContact CD1-OE1 3.4Å; K563-E567 WeakPolarHBondContact O-CG 3.47Å; K563-E567 PolarHBondContact O-N 3.41Å; L565-E567 VanDerWaalsContact C-N 3.33Å; L565-E567 PolarHBondContact O-N 3.1Å; E567-P569 WeakPolarHBondContact O-CD 3.45Å
568I80.4Confident81.4Confident33 Ų3379.3 Ų79.317%0.16941%0.409CS..SBendtrans-76.9124.4-177.3-70.5159.3000110.3L564 L565 L570 E572 V575 Y579L564-I568 VanDerWaalsContact O-CD1 3.28Å; L564-I568 WeakPolarHBondContact O-CD1 3.44Å; L564-I568 VanDerWaalsContact O-CG1 3.25Å; L564-I568 WeakPolarHBondContact O-CG1 3.42Å; L565-I568 PolarHBondContact O-N 3.35Å; I568-L570 PolarHBondContact O-N 2.86Å; I568-E572 HydrophobicContact CG2-CB 4Å; I568-V575 HydrophobicContact CD1-CG1 3.87Å; I568-Y579 HydrophobicContact CD1-CD2 3.29Å; I568-Y579 HydrophobicContact CD1-CE2 3.57Å; I568-Y579 HydrophobicContact CD1-CG 4.25Å
569P72.6Confident81Confident86 Ų8681.1 Ų81.156%0.55842%0.416SS*.  trans-58.5136.6172.7-20.831.7000111.1E567 K571 E572E567-P569 WeakPolarHBondContact O-CD 3.45Å; P569-K571 PolarHBondContact O-N 3.49Å; P569-E572 PolarHBondContact O-N 3.27Å; P569-E572 VanDerWaalsContact O-N 3.11Å
570L65.2Low80.6Confident183 Ų18378.5 Ų78.596%0.95840%0.404SS*.THydrogen-bonded Turntrans-49.3-15-178.1-71.3163.3000115.6I568I568-L570 PolarHBondContact O-N 2.86Å
571K59.9Low80.4Confident204 Ų20486.6 Ų86.689%0.88743%0.434SS*.THydrogen-bonded Turntrans-77.7-12.7-179-62.5-174.2179.8-178.90114.2P569P569-K571 PolarHBondContact O-N 3.49Å
572E64.9Low80.4Confident104 Ų10489.4 Ų89.449%0.48645%0.447SS..  trans-105.358.9-178.7-64.6-171.6177.400113.4I568 P569 H574 V575 S576I568-E572 HydrophobicContact CG2-CB 4Å; P569-E572 PolarHBondContact O-N 3.27Å; P569-E572 VanDerWaalsContact O-N 3.11Å; E572-H574 VanDerWaalsContact C-N 3.32Å; E572-H574 PolarHBondContact O-N 2.98Å; E572-H574 VanDerWaalsContact O-N 3.15Å; E572-V575 HydrophobicContact CB-CB 4.23Å; E572-V575 HydrophobicContact CB-CG2 4.21Å; E572-V575 PolarHBondContact O-N 3.42Å; E572-S576 PolarHBondContact O-N 3Å; E572-S576 VanDerWaalsContact O-N 3.11Å
573G68.5Low80.4Confident50 Ų5085.4 Ų85.452%0.51543%0.432SS..Hα-helixtrans-54.5-36.5-171.800000116A577G573-A577 PolarHBondContact O-N 3.12Å; G573-A577 VanDerWaalsContact O-N 3.08Å
574H72.1Confident80.4Confident180 Ų18081.1 Ų81.183%0.83341%0.414SS*.Hα-helixtrans-67.7-37.1177.6-75-65.6000113.1E572 H578E572-H574 VanDerWaalsContact C-N 3.32Å; E572-H574 PolarHBondContact O-N 2.98Å; E572-H574 VanDerWaalsContact O-N 3.15Å; H574-H578 PolarHBondContact O-N 3.43Å
575V73.7Confident80.6Confident57 Ų5784.2 Ų84.235%0.34543%0.431SS..Hα-helixtrans-71.1-43.4179.7-175.20000109.5I568 E572 A577 H578 Y579I568-V575 HydrophobicContact CD1-CG1 3.87Å; E572-V575 HydrophobicContact CB-CB 4.23Å; E572-V575 HydrophobicContact CB-CG2 4.21Å; E572-V575 PolarHBondContact O-N 3.42Å; V575-A577 PolarHBondContact O-N 2.99Å; V575-H578 PolarHBondContact O-N 3.49Å; V575-Y579 HydrophobicContact CG1-CD2 3.89Å; V575-Y579 HydrophobicContact CG1-CE2 3.56Å; V575-Y579 VanDerWaalsContact O-CD2 3.25Å; V575-Y579 WeakPolarHBondContact O-CD2 3.43Å; V575-Y579 PolarHBondContact O-N 3.47Å
576S78.3Confident81Confident46 Ų4683.3 Ų83.332%0.32243%0.426SS..Hα-helixtrans-54.9-49.3173.7176.90000112L565 E572 H578 Y579 A580L565-S576 VanDerWaalsContact CD1-O 3.3Å; L565-S576 WeakPolarHBondContact CD1-O 3.48Å; L565-S576 VanDerWaalsContact CD1-OG 3.28Å; L565-S576 WeakPolarHBondContact CD1-OG 3.38Å; E572-S576 PolarHBondContact O-N 3Å; E572-S576 VanDerWaalsContact O-N 3.11Å; S576-H578 VanDerWaalsContact C-N 3.29Å; S576-H578 PolarHBondContact O-N 2.97Å; S576-Y579 PolarHBondContact O-N 3.46Å; S576-A580 WeakPolarHBondContact O-CB 3.26Å; S576-A580 PolarHBondContact O-N 2.9Å
577A83.2Confident81.5Confident33 Ų3378.1 Ų78.127%0.27340%0.398SS..Hα-helixtrans-60.7-35.5178.600000113.4G573 V575 R581G573-A577 PolarHBondContact O-N 3.12Å; G573-A577 VanDerWaalsContact O-N 3.08Å; V575-A577 PolarHBondContact O-N 2.99Å; A577-R581 WeakPolarHBondContact O-CG 3.37Å; A577-R581 PolarHBondContact O-N 3.25Å; A577-R581 VanDerWaalsContact O-N 3.08Å
578H86.1Confident82Confident95 Ų9578.3 Ų78.344%0.4440%0.397SS..Hα-helixtrans-66.2-45.7176.6166-93.2000112H574 V575 S576 K582H574-H578 PolarHBondContact O-N 3.43Å; V575-H578 PolarHBondContact O-N 3.49Å; S576-H578 VanDerWaalsContact C-N 3.29Å; S576-H578 PolarHBondContact O-N 2.97Å; H578-K582 WeakPolarHBondContact O-CB 3.24Å; H578-K582 PolarHBondContact O-N 3.36Å
579Y85.2Confident82.8Confident48 Ų4881.1 Ų81.119%0.18841%0.406CS..Hα-helixtrans-67.4-38.2178-75.2-73.4000112.4K561 L564 I568 V575 S576 K582 S583K561-Y579 HydrophobicContact CD-CD1 3.95Å; K561-Y579 HydrophobicContact CD-CE1 4.17Å; L564-Y579 HydrophobicContact CB-CD1 4.21Å; L564-Y579 HydrophobicContact CB-CE1 4.12Å; L564-Y579 HydrophobicContact CD1-CE1 3.88Å; I568-Y579 HydrophobicContact CD1-CD2 3.29Å; I568-Y579 HydrophobicContact CD1-CE2 3.57Å; I568-Y579 HydrophobicContact CD1-CG 4.25Å; V575-Y579 HydrophobicContact CG1-CD2 3.89Å; V575-Y579 HydrophobicContact CG1-CE2 3.56Å; V575-Y579 VanDerWaalsContact O-CD2 3.25Å; V575-Y579 WeakPolarHBondContact O-CD2 3.43Å; V575-Y579 PolarHBondContact O-N 3.47Å; S576-Y579 PolarHBondContact O-N 3.46Å; Y579-K582 PolarHBondContact O-N 3.2Å; Y579-S583 WeakPolarHBondContact O-CB 3.44Å; Y579-S583 PolarHBondContact O-N 3.49Å
580A87Confident83.9Confident17 Ų1777 Ų7714%0.1438%0.379CS..Hα-helixtrans-57.3-54.5173.200000111.7L565 S576 K582 S583 D584 I634L565-A580 HydrophobicContact CD2-CB 4.09Å; S576-A580 WeakPolarHBondContact O-CB 3.26Å; S576-A580 PolarHBondContact O-N 2.9Å; A580-K582 VanDerWaalsContact C-N 3.27Å; A580-K582 PolarHBondContact O-N 3.41Å; A580-S583 WeakPolarHBondContact O-CB 3.41Å; A580-S583 PolarHBondContact O-N 2.89Å; A580-S583 VanDerWaalsContact O-N 3.13Å; A580-D584 PolarHBondContact O-N 2.88Å; A580-I634 HydrophobicContact CB-CD1 3.6Å
581R89.9Confident85.4Confident179 Ų17968.6 Ų68.668%0.67534%0.335SS*.Hα-helixtrans-57.9-40.2177.8-71.5-179.2-142.6147.53.2112.6A577 D584 D585A577-R581 WeakPolarHBondContact O-CG 3.37Å; A577-R581 PolarHBondContact O-N 3.25Å; A577-R581 VanDerWaalsContact O-N 3.08Å; R581-D584 PolarHBondContact O-N 3.25Å; R581-D585 PolarHBondContact O-N 2.92Å
582K91.1Very high87.2Confident81 Ų8162.6 Ų62.635%0.35232%0.318SS..Hα-helixtrans-68.9-37.8179.5-167.9164.6-171163.40112.1K561 H578 Y579 A580 L586K561-K582 HydrophobicContact CD-CD 4.23Å; H578-K582 WeakPolarHBondContact O-CB 3.24Å; H578-K582 PolarHBondContact O-N 3.36Å; Y579-K582 PolarHBondContact O-N 3.2Å; A580-K582 VanDerWaalsContact C-N 3.27Å; A580-K582 PolarHBondContact O-N 3.41Å; K582-L586 HydrophobicContact CG-CD1 4.45Å; K582-L586 WeakPolarHBondContact O-CD1 3.37Å; K582-L586 VanDerWaalsContact O-CG 3.25Å; K582-L586 WeakPolarHBondContact O-CG 3.13Å; K582-L586 PolarHBondContact O-N 2.85Å; K582-L586 VanDerWaalsContact O-N 3.07Å
583S91.3Very high88.7Confident2 Ų258.7 Ų58.71%0.01430%0.302CS..Hα-helixtrans-62-43.6172.8-179.70000111.2R558 Y579 A580 L586 T587R558-S583 WeakPolarHBondContact CG-O 3.34Å; Y579-S583 WeakPolarHBondContact O-CB 3.44Å; Y579-S583 PolarHBondContact O-N 3.49Å; A580-S583 WeakPolarHBondContact O-CB 3.41Å; A580-S583 PolarHBondContact O-N 2.89Å; A580-S583 VanDerWaalsContact O-N 3.13Å; S583-L586 PolarHBondContact O-N 2.69Å; S583-T587 WeakPolarHBondContact O-CB 3.45Å; S583-T587 PolarHBondContact O-N 3.03Å; S583-T587 PolarHBondContact O-OG1 3.36Å
584D91.9Very high90Very high26 Ų2656.4 Ų56.414%0.13928%0.277CS..Hα-helixtrans-68.4-40.5177.9-71.3-23000112.9A580 R581 L586 T587 K588 L633 I634A580-D584 PolarHBondContact O-N 2.88Å; R581-D584 PolarHBondContact O-N 3.25Å; D584-L586 PolarHBondContact O-N 3.14Å; D584-T587 WeakPolarHBondContact O-CB 3.48Å; D584-T587 PolarHBondContact O-N 2.57Å; D584-K588 WeakPolarHBondContact O-CG 3.12Å; D584-K588 PolarHBondContact O-N 3.16Å; D584-L633 HydrophobicContact CB-CD2 4.49Å; D584-I634 WeakPolarHBondContact OD1-CG1 3.36Å; D584-I634 PolarHBondContact OD1-N 3Å; D584-I634 WeakPolarHBondContact OD2-CB 3.32Å
585D93.8Very high91.1Very high82 Ų8252.2 Ų52.244%0.43925%0.254SS..Hα-helixtrans-57.1-49.2173.2171.149.3000111R581 T587 K588 R589R581-D585 PolarHBondContact O-N 2.92Å; D585-T587 VanDerWaalsContact C-N 3.29Å; D585-T587 PolarHBondContact O-N 3.01Å; D585-K588 PolarHBondContact O-N 3.5Å; D585-R589 WeakPolarHBondContact O-CB 3.18Å; D585-R589 VanDerWaalsContact O-CG 3.32Å; D585-R589 WeakPolarHBondContact O-CG 3.42Å; D585-R589 PolarHBondContact O-N 3.16Å
586L95.2Very high92.1Very high4 Ų452.8 Ų52.82%0.02126%0.256CS..Hα-helixtrans-61.3-38.6176.4-69.8166.8000112.2L554 L557 R558 K561 K582 S583 D584 R589 A590L554-L586 HydrophobicContact CD2-CD2 4.02Å; L557-L586 HydrophobicContact CB-CD1 4.49Å; L557-L586 HydrophobicContact CD2-CD1 4.14Å; L557-L586 HydrophobicContact CD2-CD2 3.79Å; L557-L586 HydrophobicContact CG-CD1 3.8Å; L557-L586 HydrophobicContact CG-CD2 4.25Å; R558-L586 HydrophobicContact CB-CB 3.82Å; R558-L586 HydrophobicContact CB-CD1 4.37Å; R558-L586 HydrophobicContact CG-CB 4.17Å; K561-L586 HydrophobicContact CB-CD1 4.43Å; K561-L586 HydrophobicContact CG-CD1 3.87Å; K582-L586 HydrophobicContact CG-CD1 4.45Å; K582-L586 WeakPolarHBondContact O-CD1 3.37Å; K582-L586 VanDerWaalsContact O-CG 3.25Å; K582-L586 WeakPolarHBondContact O-CG 3.13Å; K582-L586 PolarHBondContact O-N 2.85Å; K582-L586 VanDerWaalsContact O-N 3.07Å; S583-L586 PolarHBondContact O-N 2.69Å; D584-L586 PolarHBondContact O-N 3.14Å; L586-R589 PolarHBondContact O-N 3.05Å; L586-A590 WeakPolarHBondContact O-CB 3.39Å; L586-A590 PolarHBondContact O-N 3.48Å
587T95.3Very high92.9Very high0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-62.2-48.5175.9-57.90000111R558 S583 D584 D585 R589 A590 I591 L629 L633R558-T587 WeakPolarHBondContact CG-OG1 3.1Å; R558-T587 PolarHBondContact NE-OG1 3.09Å; S583-T587 WeakPolarHBondContact O-CB 3.45Å; S583-T587 PolarHBondContact O-N 3.03Å; S583-T587 PolarHBondContact O-OG1 3.36Å; D584-T587 WeakPolarHBondContact O-CB 3.48Å; D584-T587 PolarHBondContact O-N 2.57Å; D585-T587 VanDerWaalsContact C-N 3.29Å; D585-T587 PolarHBondContact O-N 3.01Å; T587-R589 VanDerWaalsContact C-N 3.33Å; T587-R589 PolarHBondContact O-N 3.14Å; T587-A590 PolarHBondContact O-N 2.96Å; T587-I591 HydrophobicContact CG2-CD1 3.99Å; T587-I591 VanDerWaalsContact O-CG1 3.29Å; T587-I591 WeakPolarHBondContact O-CG1 2.98Å; T587-I591 PolarHBondContact O-N 3.49Å; T587-L629 HydrophobicContact CG2-CB 3.9Å; T587-L629 HydrophobicContact CG2-CD2 4.15Å; T587-L629 VanDerWaalsContact CG2-O 3.27Å; T587-L629 WeakPolarHBondContact CG2-O 3.3Å; T587-L633 HydrophobicContact CG2-CD2 3.47Å; T587-L633 VanDerWaalsContact CG2-CD2 3.47Å; T587-L633 HydrophobicContact CG2-CG 3.8Å
588K95.7Very high93.3Very high135 Ų13549.6 Ų49.659%0.58723%0.23SC*.Hα-helixtrans-61.5-41.7177.8-71.3172.3-176.7176.30111.6D584 D585 S592 L633D584-K588 WeakPolarHBondContact O-CG 3.12Å; D584-K588 PolarHBondContact O-N 3.16Å; D585-K588 PolarHBondContact O-N 3.5Å; K588-S592 PolarHBondContact O-N 2.75Å; K588-L633 HydrophobicContact CG-CD2 4.33Å
589R96.8Very high93.6Very high92 Ų9250.5 Ų50.535%0.34724%0.235SC..Hα-helixtrans-63.5-47.5175.2-71.9174.361.5-158.7-1.5111.9L554 D585 L586 T587 I591 S592 V593L554-R589 HydrophobicContact CD1-CB 4.39Å; L554-R589 HydrophobicContact CD2-CB 4.35Å; D585-R589 WeakPolarHBondContact O-CB 3.18Å; D585-R589 VanDerWaalsContact O-CG 3.32Å; D585-R589 WeakPolarHBondContact O-CG 3.42Å; D585-R589 PolarHBondContact O-N 3.16Å; L586-R589 PolarHBondContact O-N 3.05Å; T587-R589 VanDerWaalsContact C-N 3.33Å; T587-R589 PolarHBondContact O-N 3.14Å; R589-I591 VanDerWaalsContact C-N 3.34Å; R589-I591 PolarHBondContact O-N 3.39Å; R589-S592 WeakPolarHBondContact O-CB 3.38Å; R589-S592 PolarHBondContact O-N 3.29Å; R589-S592 VanDerWaalsContact O-N 3.15Å; R589-V593 WeakPolarHBondContact O-CG2 3.25Å; R589-V593 PolarHBondContact O-N 3.06Å
590A97.1Very high93.8Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-58.7-45.5177.600000111.6L554 L586 T587 S592 V593 Y594 L629L554-A590 HydrophobicContact CB-CB 3.86Å; L586-A590 WeakPolarHBondContact O-CB 3.39Å; L586-A590 PolarHBondContact O-N 3.48Å; T587-A590 PolarHBondContact O-N 2.96Å; A590-S592 VanDerWaalsContact C-N 3.33Å; A590-S592 PolarHBondContact O-N 3.27Å; A590-V593 PolarHBondContact O-N 3.06Å; A590-Y594 VanDerWaalsContact O-CD2 3.28Å; A590-Y594 WeakPolarHBondContact O-CD2 3.32Å; A590-Y594 PolarHBondContact O-N 2.8Å; A590-L629 HydrophobicContact CB-CD1 3.6Å
591I96.6Very high93.9Very high6 Ų650.5 Ų50.53%0.03123%0.233CC..Hα-helixtrans-57.7-44.4174.5-71.5167.7000111.4T587 R589 V593 Y594 R595 T626 L629 Y630 L633T587-I591 HydrophobicContact CG2-CD1 3.99Å; T587-I591 VanDerWaalsContact O-CG1 3.29Å; T587-I591 WeakPolarHBondContact O-CG1 2.98Å; T587-I591 PolarHBondContact O-N 3.49Å; R589-I591 VanDerWaalsContact C-N 3.34Å; R589-I591 PolarHBondContact O-N 3.39Å; I591-V593 VanDerWaalsContact C-N 3.33Å; I591-V593 PolarHBondContact O-N 3.23Å; I591-Y594 PolarHBondContact O-N 3.49Å; I591-R595 WeakPolarHBondContact O-CB 3.43Å; I591-R595 WeakPolarHBondContact O-CG 3.39Å; I591-R595 PolarHBondContact O-N 3.35Å; I591-T626 HydrophobicContact CG1-CG2 4.44Å; I591-T626 HydrophobicContact CG2-CG2 4.23Å; I591-L629 HydrophobicContact CD1-CB 3.91Å; I591-L629 HydrophobicContact CG1-CB 3.67Å; I591-L629 HydrophobicContact CG1-CD1 3.94Å; I591-L629 HydrophobicContact CG1-CG 4.48Å; I591-Y630 HydrophobicContact CD1-CD1 3.93Å; I591-Y630 HydrophobicContact CD1-CD2 4.08Å; I591-Y630 HydrophobicContact CD1-CE1 3.86Å; I591-Y630 HydrophobicContact CD1-CE2 4.01Å; I591-Y630 HydrophobicContact CD1-CG 4.02Å; I591-Y630 HydrophobicContact CG1-CE2 4.31Å; I591-Y630 HydrophobicContact CG2-CE1 4.46Å; I591-Y630 HydrophobicContact CG2-CE2 3.67Å; I591-Y630 VanDerWaalsContact CG2-OH 3.28Å; I591-Y630 WeakPolarHBondContact CG2-OH 3.37Å; I591-L633 HydrophobicContact CD1-CD1 4.41Å
592S96.6Very high93.6Very high77 Ų7743.5 Ų43.554%0.53822%0.217SC..Hα-helixtrans-61.6-41.6178.1-169.30000112K588 R589 A590 R595 N596K588-S592 PolarHBondContact O-N 2.75Å; R589-S592 WeakPolarHBondContact O-CB 3.38Å; R589-S592 PolarHBondContact O-N 3.29Å; R589-S592 VanDerWaalsContact O-N 3.15Å; A590-S592 VanDerWaalsContact C-N 3.33Å; A590-S592 PolarHBondContact O-N 3.27Å; S592-R595 PolarHBondContact O-N 3.01Å; S592-N596 PolarHBondContact O-N 3.49Å
593V97Very high93Very high22 Ų2240 Ų4013%0.13320%0.202CC..Hα-helixtrans-69.7-42.2179.1178.70000111T547 L550 A551 L554 R589 A590 I591 R595 N596 F597T547-V593 HydrophobicContact CG2-CG1 3.6Å; T547-V593 WeakPolarHBondContact CG2-O 3.43Å; T547-V593 VanDerWaalsContact O-CG1 3.27Å; T547-V593 WeakPolarHBondContact O-CG1 3.47Å; L550-V593 HydrophobicContact CB-CG1 4.27Å; L550-V593 HydrophobicContact CD2-CG1 3.89Å; L550-V593 HydrophobicContact CD2-CG2 3.98Å; L550-V593 HydrophobicContact CG-CG1 4.03Å; L550-V593 HydrophobicContact CG-CG2 4.36Å; A551-V593 HydrophobicContact CB-CB 4.22Å; A551-V593 HydrophobicContact CB-CG1 3.81Å; L554-V593 HydrophobicContact CD1-CB 4.39Å; L554-V593 HydrophobicContact CD1-CG2 3.77Å; R589-V593 WeakPolarHBondContact O-CG2 3.25Å; R589-V593 PolarHBondContact O-N 3.06Å; A590-V593 PolarHBondContact O-N 3.06Å; I591-V593 VanDerWaalsContact C-N 3.33Å; I591-V593 PolarHBondContact O-N 3.23Å; V593-R595 VanDerWaalsContact C-N 3.32Å; V593-R595 PolarHBondContact O-N 3.4Å; V593-N596 WeakPolarHBondContact O-CB 3.46Å; V593-N596 PolarHBondContact O-N 2.91Å; V593-F597 PolarHBondContact O-N 3.45Å
594Y96.5Very high92.1Very high2 Ų245.3 Ų45.31%0.00823%0.226CC..Hα-helixtrans-62.7-37.3174.5-81.3-52.8000112.7A551 A590 I591 F597 L598 T622 H625 T626 L629A551-Y594 HydrophobicContact CB-CD1 3.46Å; A551-Y594 VanDerWaalsContact CB-CD1 3.46Å; A551-Y594 HydrophobicContact CB-CD2 3.9Å; A551-Y594 HydrophobicContact CB-CE1 3.27Å; A551-Y594 HydrophobicContact CB-CE2 3.71Å; A551-Y594 HydrophobicContact CB-CG 3.77Å; A590-Y594 VanDerWaalsContact O-CD2 3.28Å; A590-Y594 WeakPolarHBondContact O-CD2 3.32Å; A590-Y594 PolarHBondContact O-N 2.8Å; I591-Y594 PolarHBondContact O-N 3.49Å; Y594-F597 WeakPolarHBondContact O-CB 3.18Å; Y594-F597 PolarHBondContact O-N 3.3Å; Y594-L598 WeakPolarHBondContact O-CG 3.32Å; Y594-L598 PolarHBondContact O-N 2.97Å; Y594-T622 HydrophobicContact CD1-CG2 3.51Å; Y594-T622 HydrophobicContact CE1-CG2 4.43Å; Y594-T622 HydrophobicContact CG-CG2 3.96Å; Y594-H625 HydrophobicContact CD2-CB 4.48Å; Y594-H625 HydrophobicContact CE1-CB 4.39Å; Y594-H625 HydrophobicContact CE2-CB 3.82Å; Y594-T626 VanDerWaalsContact CB-OG1 3.26Å; Y594-T626 WeakPolarHBondContact CB-OG1 3.45Å; Y594-L629 HydrophobicContact CD2-CD1 3.76Å; Y594-L629 HydrophobicContact CE2-CD1 3.74Å
595R94.8Very high90.5Very high93 Ų9349.6 Ų49.635%0.35126%0.258SS..Hα-helixtrans-63.5-45.6172.2-78.6177.1162.2164.6-5.5112.4I591 S592 V593 F597 L598 E599 Y630 F651I591-R595 WeakPolarHBondContact O-CB 3.43Å; I591-R595 WeakPolarHBondContact O-CG 3.39Å; I591-R595 PolarHBondContact O-N 3.35Å; S592-R595 PolarHBondContact O-N 3.01Å; V593-R595 VanDerWaalsContact C-N 3.32Å; V593-R595 PolarHBondContact O-N 3.4Å; R595-F597 PolarHBondContact O-N 2.89Å; R595-L598 WeakPolarHBondContact O-CB 3.28Å; R595-L598 PolarHBondContact O-N 3.5Å; R595-L598 VanDerWaalsContact O-N 3.09Å; R595-E599 WeakPolarHBondContact O-CG 3.26Å; R595-E599 PolarHBondContact O-N 3.33Å; R595-Y630 PolarHBondContact NH1-OH 3.15Å; R595-Y630 PolarHBondContact NH2-OH 3.37Å; R595-F651 HydrophobicContact CG-CZ 4.19Å
596N94Very high88.8Confident69 Ų6949.6 Ų49.637%0.36928%0.278SS..Hα-helixtrans-58.6-39.2173.9-177.539000111.3S592 V593 L598 E599 L600S592-N596 PolarHBondContact O-N 3.49Å; V593-N596 WeakPolarHBondContact O-CB 3.46Å; V593-N596 PolarHBondContact O-N 2.91Å; N596-L598 PolarHBondContact O-N 2.64Å; N596-E599 WeakPolarHBondContact O-CB 3.46Å; N596-E599 PolarHBondContact O-N 3Å; N596-L600 WeakPolarHBondContact O-CG 3.25Å; N596-L600 PolarHBondContact O-N 3.33Å
597F94.8Very high87.3Confident4 Ų452 Ų522%0.01829%0.293CS..Hα-helixtrans-58.4-45.4173.4178.1-93.1000112.3R544 T547 F548 V593 Y594 R595 E599 L600 Y601 P618 L619 T622R544-F597 HydrophobicContact CB-CE2 4.12Å; R544-F597 WeakPolarHBondContact O-CD2 3.47Å; R544-F597 WeakPolarHBondContact O-CE2 3.43Å; T547-F597 HydrophobicContact CG2-CB 3.83Å; F548-F597 HydrophobicContact CB-CD2 3.93Å; F548-F597 HydrophobicContact CB-CE2 3.75Å; F548-F597 HydrophobicContact CB-CZ 4.45Å; F548-F597 HydrophobicContact CD2-CD1 4.48Å; F548-F597 HydrophobicContact CD2-CD2 4.33Å; F548-F597 HydrophobicContact CD2-CE1 4.11Å; F548-F597 AromaticContact CD2-CE2 3.96Å; F548-F597 HydrophobicContact CD2-CE2 3.96Å; F548-F597 AromaticContact CD2-CZ 3.84Å; F548-F597 HydrophobicContact CD2-CZ 3.84Å; F548-F597 HydrophobicContact CG-CE2 4.29Å; V593-F597 PolarHBondContact O-N 3.45Å; Y594-F597 WeakPolarHBondContact O-CB 3.18Å; Y594-F597 PolarHBondContact O-N 3.3Å; R595-F597 PolarHBondContact O-N 2.89Å; F597-E599 VanDerWaalsContact C-N 3.34Å; F597-E599 PolarHBondContact O-N 2.91Å; F597-L600 WeakPolarHBondContact O-CB 3.48Å; F597-L600 PolarHBondContact O-N 3.46Å; F597-Y601 HydrophobicContact CE1-CD2 4.19Å; F597-Y601 HydrophobicContact CE1-CE2 4Å; F597-Y601 AromaticContact CE2-CE2 3.86Å; F597-Y601 HydrophobicContact CE2-CE2 3.86Å; F597-Y601 HydrophobicContact CZ-CD2 4.14Å; F597-Y601 AromaticContact CZ-CE2 3.52Å; F597-Y601 HydrophobicContact CZ-CE2 3.52Å; F597-P618 HydrophobicContact CE1-CB 4.22Å; F597-P618 HydrophobicContact CZ-CB 3.8Å; F597-L619 HydrophobicContact CD1-CD2 4.48Å; F597-L619 HydrophobicContact CE1-CD2 3.97Å; F597-T622 HydrophobicContact CD1-CG2 3.91Å; F597-T622 VanDerWaalsContact CD1-OG1 3.28Å; F597-T622 WeakPolarHBondContact CD1-OG1 3.38Å; F597-T622 VanDerWaalsContact CE1-OG1 3.31Å; F597-T622 WeakPolarHBondContact CE1-OG1 3.48Å
598L92.7Very high85.8Confident7 Ų756.9 Ų56.94%0.03732%0.323CS..Hα-helixtrans-61.9-40.8175-67.7177.6000111.8Y594 R595 N596 L600 Y601 G602 V603 L619 T622 F651Y594-L598 WeakPolarHBondContact O-CG 3.32Å; Y594-L598 PolarHBondContact O-N 2.97Å; R595-L598 WeakPolarHBondContact O-CB 3.28Å; R595-L598 PolarHBondContact O-N 3.5Å; R595-L598 VanDerWaalsContact O-N 3.09Å; N596-L598 PolarHBondContact O-N 2.64Å; L598-L600 PolarHBondContact O-N 3.27Å; L598-Y601 PolarHBondContact O-N 2.73Å; L598-Y601 VanDerWaalsContact O-N 3.1Å; L598-G602 PolarHBondContact O-N 3.35Å; L598-V603 HydrophobicContact CB-CB 4.05Å; L598-V603 HydrophobicContact CB-CG2 4.35Å; L598-V603 HydrophobicContact CD2-CB 4.41Å; L598-V603 HydrophobicContact CD2-CG1 4.47Å; L598-V603 HydrophobicContact CD2-CG2 4.16Å; L598-V603 WeakPolarHBondContact O-CB 3.5Å; L598-V603 WeakPolarHBondContact O-CG2 3.47Å; L598-V603 PolarHBondContact O-N 3.12Å; L598-L619 HydrophobicContact CD2-CD2 3.77Å; L598-T622 HydrophobicContact CD1-CG2 4.23Å; L598-T622 HydrophobicContact CD2-CG2 3.83Å; L598-T622 HydrophobicContact CG-CG2 3.77Å; L598-F651 HydrophobicContact CD1-CE1 3.89Å
599E91.3Very high84.6Confident115 Ų11552.2 Ų52.254%0.53730%0.304SS..Hα-helixtrans-63.8-36.4175.9-70.8170-169.400112.5R595 N596 F597 Y601 G602R595-E599 WeakPolarHBondContact O-CG 3.26Å; R595-E599 PolarHBondContact O-N 3.33Å; N596-E599 WeakPolarHBondContact O-CB 3.46Å; N596-E599 PolarHBondContact O-N 3Å; F597-E599 VanDerWaalsContact C-N 3.34Å; F597-E599 PolarHBondContact O-N 2.91Å; E599-Y601 PolarHBondContact O-N 3.08Å; E599-Y601 VanDerWaalsContact O-N 3.13Å; E599-G602 PolarHBondContact O-N 3.13Å
600L91.2Very high83.3Confident29 Ų2953.9 Ų53.915%0.15232%0.32CS..THydrogen-bonded Turntrans-62.9-17.1173.7-69.9174.8000113.3P536 L540 C543 R544 T547 N596 F597 L598P536-L600 HydrophobicContact CB-CD2 4.39Å; L540-L600 HydrophobicContact CD1-CB 4.45Å; L540-L600 HydrophobicContact CD1-CD2 4.11Å; C543-L600 HydrophobicContact CB-CD1 4.36Å; R544-L600 HydrophobicContact CG-CB 3.99Å; R544-L600 HydrophobicContact CG-CD1 4.21Å; R544-L600 PolarHBondContact NE-O 3.07Å; R544-L600 VanDerWaalsContact NE-O 3.16Å; R544-L600 PolarHBondContact NH2-O 3.44Å; T547-L600 HydrophobicContact CG2-CD1 4.49Å; N596-L600 WeakPolarHBondContact O-CG 3.25Å; N596-L600 PolarHBondContact O-N 3.33Å; F597-L600 WeakPolarHBondContact O-CB 3.48Å; F597-L600 PolarHBondContact O-N 3.46Å; L598-L600 PolarHBondContact O-N 3.27Å
601Y88.4Confident82.3Confident35 Ų3554.7 Ų54.714%0.13733%0.325CS..THydrogen-bonded Turntrans-99.8-1.5171.5-82.9-90.1000113.3R544 F597 L598 E599 V603 D615 L619R544-Y601 HydrophobicContact CB-CE2 4.19Å; R544-Y601 VanDerWaalsContact CD-CE2 3.45Å; R544-Y601 HydrophobicContact CG-CD2 4.22Å; R544-Y601 HydrophobicContact CG-CE2 3.71Å; F597-Y601 HydrophobicContact CE1-CD2 4.19Å; F597-Y601 HydrophobicContact CE1-CE2 4Å; F597-Y601 AromaticContact CE2-CE2 3.86Å; F597-Y601 HydrophobicContact CE2-CE2 3.86Å; F597-Y601 HydrophobicContact CZ-CD2 4.14Å; F597-Y601 AromaticContact CZ-CE2 3.52Å; F597-Y601 HydrophobicContact CZ-CE2 3.52Å; L598-Y601 PolarHBondContact O-N 2.73Å; L598-Y601 VanDerWaalsContact O-N 3.1Å; E599-Y601 PolarHBondContact O-N 3.08Å; E599-Y601 VanDerWaalsContact O-N 3.13Å; Y601-V603 VanDerWaalsContact C-N 3.27Å; Y601-D615 HydrophobicContact CE1-CB 3.87Å; Y601-D615 WeakPolarHBondContact CE1-OD1 3.47Å; Y601-D615 PolarHBondContact OH-OD1 3Å; Y601-L619 HydrophobicContact CD1-CD1 4.24Å; Y601-L619 HydrophobicContact CD1-CD2 4.33Å; Y601-L619 HydrophobicContact CD2-CD2 3.76Å; Y601-L619 HydrophobicContact CE2-CD2 4.36Å; Y601-L619 HydrophobicContact CG-CD1 4.38Å; Y601-L619 HydrophobicContact CG-CD2 3.74Å; Y601-L619 HydrophobicContact CG-CG 4.42Å
602G83.7Confident81.5Confident33 Ų3357 Ų5734%0.3434%0.342SS..THydrogen-bonded Turntrans71.620.7-174.400000113.5L598 E599 H604L598-G602 PolarHBondContact O-N 3.35Å; E599-G602 PolarHBondContact O-N 3.13Å; G602-H604 PolarHBondContact O-N 3.43Å
603V78.7Confident80.5Confident6 Ų656.5 Ų56.54%0.03633%0.333CS..  trans-77.3110.1179.3-171.90000109L598 Y601 I609 L619 L658L598-V603 HydrophobicContact CB-CB 4.05Å; L598-V603 HydrophobicContact CB-CG2 4.35Å; L598-V603 HydrophobicContact CD2-CB 4.41Å; L598-V603 HydrophobicContact CD2-CG1 4.47Å; L598-V603 HydrophobicContact CD2-CG2 4.16Å; L598-V603 WeakPolarHBondContact O-CB 3.5Å; L598-V603 WeakPolarHBondContact O-CG2 3.47Å; L598-V603 PolarHBondContact O-N 3.12Å; Y601-V603 VanDerWaalsContact C-N 3.27Å; V603-I609 VanDerWaalsContact CA-CD1 3.41Å; V603-I609 HydrophobicContact CB-CD1 3.51Å; V603-I609 HydrophobicContact CG1-CD1 3.9Å; V603-I609 HydrophobicContact CG2-CD1 3.03Å; V603-L619 HydrophobicContact CG2-CD1 4.21Å; V603-L619 HydrophobicContact CG2-CD2 3.71Å; V603-L658 HydrophobicContact CG1-CD1 4.25Å; V603-L658 HydrophobicContact CG1-CD2 4.49Å
604H71Confident79.7Confident115 Ų11562.1 Ų62.153%0.53236%0.362SS..  trans-114.8163.8165.4-53.9-53.1000110.1G602 G606 T607G602-H604 PolarHBondContact O-N 3.43Å; H604-G606 PolarHBondContact O-N 3.24Å; H604-G606 VanDerWaalsContact O-N 3.08Å; H604-T607 WeakPolarHBondContact CB-OG1 3.33Å; H604-T607 PolarHBondContact N-OG1 2.88Å; H604-T607 PolarHBondContact O-N 3.03Å; H604-T607 PolarHBondContact O-OG1 2.88Å; H604-T607 VanDerWaalsContact O-OG1 3.12Å
605S59.4Low79.1Confident115 Ų11564 Ų6480%0.80437%0.373SS*.THydrogen-bonded Turntrans-56.7117.3177.3-61.80000110.1
606G58.1Low78.9Confident83 Ų8359.8 Ų59.886%0.85636%0.357SS*.THydrogen-bonded Turntrans89.63.5-179.500000115.9H604H604-G606 PolarHBondContact O-N 3.24Å; H604-G606 VanDerWaalsContact O-N 3.08Å
607T63.9Low78.7Confident54 Ų5462 Ų6233%0.33136%0.363SS..  trans-81.2128.1178.2-45.80000111.6H604 I609H604-T607 WeakPolarHBondContact CB-OG1 3.33Å; H604-T607 PolarHBondContact N-OG1 2.88Å; H604-T607 PolarHBondContact O-N 3.03Å; H604-T607 PolarHBondContact O-OG1 2.88Å; H604-T607 VanDerWaalsContact O-OG1 3.12Å; T607-I609 HydrophobicContact CG2-CG1 4.15Å
608T62.9Low78.5Confident103 Ų10363.5 Ų63.563%0.63237%0.373SS*.  trans-80.8116.5165.845.40000109
609I70.2Confident78.5Confident36 Ų3663.1 Ų63.119%0.18537%0.372CS..  trans-106.3128.1179.8-61.4171.8000109.3V603 T607 C611V603-I609 VanDerWaalsContact CA-CD1 3.41Å; V603-I609 HydrophobicContact CB-CD1 3.51Å; V603-I609 HydrophobicContact CG1-CD1 3.9Å; V603-I609 HydrophobicContact CG2-CD1 3.03Å; T607-I609 HydrophobicContact CG2-CG1 4.15Å; I609-C611 HydrophobicContact CG2-CB 4.03Å; I609-C611 PolarHBondContact O-N 3.47Å
610N70.3Confident78.6Confident128 Ų12857.7 Ų57.768%0.68435%0.346SS*.  trans-89.981.4172.1-69.2-17.9000109.6R665N610-R665 PolarHBondContact OD1-NH1 2.92Å
611C75.8Confident78.7Confident16 Ų1657.2 Ų57.211%0.10834%0.344CS..  trans-108165.417367.70000111.4I609 D615I609-C611 HydrophobicContact CG2-CB 4.03Å; I609-C611 PolarHBondContact O-N 3.47Å; C611-D615 HydrophobicContact CB-CB 3.64Å
612S79.8Confident79Confident55 Ų5555.5 Ų55.539%0.38534%0.338SS..  trans-77.5167.9172.360.40000111.6D614 D615 I616S612-D614 PolarHBondContact O-N 2.93Å; S612-D615 PolarHBondContact O-N 3.32Å; S612-D615 PolarHBondContact OG-N 2.99Å; S612-D615 PolarHBondContact OG-OD2 3.38Å; S612-I616 PolarHBondContact O-N 3.4Å
613D75.5Confident79.5Confident66 Ų6654 Ų5435%0.35332%0.321SS..Hα-helixtrans-54.8-33.4171.2-74.447.8000112.8D615 I616 H662 T669D613-D615 VanDerWaalsContact C-N 3.31Å; D613-D615 PolarHBondContact O-N 3.16Å; D613-I616 WeakPolarHBondContact O-CG2 3.39Å; D613-H662 IonicContact OD1-CE1 2.65Å; D613-H662 PolarHBondContact OD1-CE1 3.07Å; D613-H662 IonicContact OD1-NE2 3.54Å; D613-H662 PolarHBondContact OD1-NE2 3.41Å; D613-H662 IonicContact OD2-CE1 3.85Å; D613-T669 PolarHBondContact OD2-OG1 2.92Å
614D80.6Confident80.3Confident141 Ų14153.9 Ų53.975%0.75432%0.321SS*.Hα-helixtrans-70.2-29.1178.1-68.5-30.9000112.6S612 P618S612-D614 PolarHBondContact O-N 2.93Å; D614-P618 WeakPolarHBondContact O-CD 3.45Å
615D85Confident81.5Confident42 Ų4250.9 Ų50.923%0.22531%0.307CS..Hα-helixtrans-91.5-31-178.8-81.6-38.2000112.6Y601 C611 S612 D613 K617 P618 L619Y601-D615 HydrophobicContact CE1-CB 3.87Å; Y601-D615 WeakPolarHBondContact CE1-OD1 3.47Å; Y601-D615 PolarHBondContact OH-OD1 3Å; C611-D615 HydrophobicContact CB-CB 3.64Å; S612-D615 PolarHBondContact O-N 3.32Å; S612-D615 PolarHBondContact OG-N 2.99Å; S612-D615 PolarHBondContact OG-OD2 3.38Å; D613-D615 VanDerWaalsContact C-N 3.31Å; D613-D615 PolarHBondContact O-N 3.16Å; D615-K617 PolarHBondContact O-N 3.04Å; D615-P618 WeakPolarHBondContact O-CD 3.5Å; D615-L619 WeakPolarHBondContact O-CG 3.41Å; D615-L619 PolarHBondContact O-N 2.96Å
616I89.1Confident83.2Confident4 Ų445.4 Ų45.42%0.02127%0.269CS..Hα-helixtrans-68.4-36.3-177.2-168.563.8000111.9S612 D613 L619 I620 L658 H662 I671S612-I616 PolarHBondContact O-N 3.4Å; D613-I616 WeakPolarHBondContact O-CG2 3.39Å; I616-L619 WeakPolarHBondContact O-CB 3.25Å; I616-L619 PolarHBondContact O-N 2.92Å; I616-L619 VanDerWaalsContact O-N 3.17Å; I616-I620 HydrophobicContact CD1-CG2 4.38Å; I616-I620 HydrophobicContact CG1-CG2 4.26Å; I616-I620 PolarHBondContact O-N 3.44Å; I616-L658 HydrophobicContact CD1-CB 4.38Å; I616-H662 HydrophobicContact CD1-CB 4.36Å; I616-H662 HydrophobicContact CG1-CB 4.09Å; I616-I671 HydrophobicContact CG2-CD1 3.66Å; I616-I671 HydrophobicContact CG2-CG1 3.63Å
617K90Very high85Confident114 Ų11441.5 Ų41.550%0.49623%0.228SC..Hα-helixtrans-62.4-49.5-178.4-175173.1-174.7174.80112.4D615 L619 I620 V621 I671D615-K617 PolarHBondContact O-N 3.04Å; K617-L619 VanDerWaalsContact C-N 3.25Å; K617-L619 PolarHBondContact O-N 3.16Å; K617-I620 WeakPolarHBondContact O-CG1 3.5Å; K617-I620 PolarHBondContact O-N 3.23Å; K617-V621 HydrophobicContact CG-CG2 4.34Å; K617-V621 WeakPolarHBondContact O-CB 3.41Å; K617-V621 WeakPolarHBondContact O-CG2 3.3Å; K617-V621 PolarHBondContact O-N 3.34Å; K617-I671 HydrophobicContact CB-CD1 4.15Å
618P91.4Very high86.5Confident36 Ų3643 Ų4323%0.23423%0.227CC..Hα-helixtrans-55.9-35.5171.7-27.734.1000114.5F548 F597 D614 D615 T622F548-P618 HydrophobicContact CE2-CB 4.47Å; F597-P618 HydrophobicContact CE1-CB 4.22Å; F597-P618 HydrophobicContact CZ-CB 3.8Å; D614-P618 WeakPolarHBondContact O-CD 3.45Å; D615-P618 WeakPolarHBondContact O-CD 3.5Å; P618-T622 VanDerWaalsContact O-CB 3.29Å; P618-T622 WeakPolarHBondContact O-CB 3.19Å; P618-T622 PolarHBondContact O-N 2.82Å; P618-T622 PolarHBondContact O-OG1 2.9Å
619L92.9Very high88.1Confident0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-68.3-50.2178.8-67.9176.2000112.2F597 L598 Y601 V603 D615 I616 K617 V621 T622 C623F597-L619 HydrophobicContact CD1-CD2 4.48Å; F597-L619 HydrophobicContact CE1-CD2 3.97Å; L598-L619 HydrophobicContact CD2-CD2 3.77Å; Y601-L619 HydrophobicContact CD1-CD1 4.24Å; Y601-L619 HydrophobicContact CD1-CD2 4.33Å; Y601-L619 HydrophobicContact CD2-CD2 3.76Å; Y601-L619 HydrophobicContact CE2-CD2 4.36Å; Y601-L619 HydrophobicContact CG-CD1 4.38Å; Y601-L619 HydrophobicContact CG-CD2 3.74Å; Y601-L619 HydrophobicContact CG-CG 4.42Å; V603-L619 HydrophobicContact CG2-CD1 4.21Å; V603-L619 HydrophobicContact CG2-CD2 3.71Å; D615-L619 WeakPolarHBondContact O-CG 3.41Å; D615-L619 PolarHBondContact O-N 2.96Å; I616-L619 WeakPolarHBondContact O-CB 3.25Å; I616-L619 PolarHBondContact O-N 2.92Å; I616-L619 VanDerWaalsContact O-N 3.17Å; K617-L619 VanDerWaalsContact C-N 3.25Å; K617-L619 PolarHBondContact O-N 3.16Å; L619-V621 VanDerWaalsContact C-N 3.31Å; L619-V621 PolarHBondContact O-N 3.08Å; L619-T622 WeakPolarHBondContact O-CB 3.42Å; L619-T622 PolarHBondContact O-N 3.02Å; L619-C623 PolarHBondContact O-N 3.23Å; L619-C623 PolarHBondContact O-SG 3.27Å
620I92.3Very high89.3Confident0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-63.5-39.7178.663.6175.8000111.2I616 K617 T622 C623 L624 L655 A659 I671I616-I620 HydrophobicContact CD1-CG2 4.38Å; I616-I620 HydrophobicContact CG1-CG2 4.26Å; I616-I620 PolarHBondContact O-N 3.44Å; K617-I620 WeakPolarHBondContact O-CG1 3.5Å; K617-I620 PolarHBondContact O-N 3.23Å; I620-T622 VanDerWaalsContact C-N 3.33Å; I620-T622 PolarHBondContact O-N 3.44Å; I620-C623 PolarHBondContact O-N 3.34Å; I620-L624 PolarHBondContact O-N 3.49Å; I620-L655 HydrophobicContact CB-CD2 4.28Å; I620-L655 HydrophobicContact CB-CG 3.99Å; I620-L655 HydrophobicContact CG2-CD2 4.5Å; I620-L655 HydrophobicContact CG2-CG 4.4Å; I620-L655 WeakPolarHBondContact O-CD1 3.31Å; I620-A659 HydrophobicContact CG2-CB 4.28Å; I620-I671 HydrophobicContact CD1-CD1 4.12Å; I620-I671 HydrophobicContact CD1-CG2 4.2Å
621V93.4Very high90.3Very high19 Ų1933.3 Ų33.312%0.11518%0.176CC..Hα-helixtrans-63.5-41.1176.5169.70000110.3F548 K617 L619 L624 H625 E676F548-V621 HydrophobicContact CE2-CG1 4.34Å; F548-V621 HydrophobicContact CZ-CG1 3.93Å; K617-V621 HydrophobicContact CG-CG2 4.34Å; K617-V621 WeakPolarHBondContact O-CB 3.41Å; K617-V621 WeakPolarHBondContact O-CG2 3.3Å; K617-V621 PolarHBondContact O-N 3.34Å; L619-V621 VanDerWaalsContact C-N 3.31Å; L619-V621 PolarHBondContact O-N 3.08Å; V621-L624 WeakPolarHBondContact O-CB 3.33Å; V621-L624 PolarHBondContact O-N 2.77Å; V621-H625 WeakPolarHBondContact CG1-CD2 3.37Å; V621-H625 VanDerWaalsContact CG1-NE2 3.29Å; V621-H625 WeakPolarHBondContact CG1-NE2 3.3Å; V621-H625 PolarHBondContact O-CD2 2.97Å; V621-H625 PolarHBondContact O-N 2.99Å; V621-E676 HydrophobicContact CG2-CG 4.09Å
622T95Very high90.9Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-62-45.8174.8-65.70000112.3F548 Y594 F597 L598 P618 L619 I620 L624 H625 T626F548-T622 WeakPolarHBondContact CE2-OG1 3.38Å; Y594-T622 HydrophobicContact CD1-CG2 3.51Å; Y594-T622 HydrophobicContact CE1-CG2 4.43Å; Y594-T622 HydrophobicContact CG-CG2 3.96Å; F597-T622 HydrophobicContact CD1-CG2 3.91Å; F597-T622 VanDerWaalsContact CD1-OG1 3.28Å; F597-T622 WeakPolarHBondContact CD1-OG1 3.38Å; F597-T622 VanDerWaalsContact CE1-OG1 3.31Å; F597-T622 WeakPolarHBondContact CE1-OG1 3.48Å; L598-T622 HydrophobicContact CD1-CG2 4.23Å; L598-T622 HydrophobicContact CD2-CG2 3.83Å; L598-T622 HydrophobicContact CG-CG2 3.77Å; P618-T622 VanDerWaalsContact O-CB 3.29Å; P618-T622 WeakPolarHBondContact O-CB 3.19Å; P618-T622 PolarHBondContact O-N 2.82Å; P618-T622 PolarHBondContact O-OG1 2.9Å; L619-T622 WeakPolarHBondContact O-CB 3.42Å; L619-T622 PolarHBondContact O-N 3.02Å; I620-T622 VanDerWaalsContact C-N 3.33Å; I620-T622 PolarHBondContact O-N 3.44Å; T622-L624 VanDerWaalsContact C-N 3.32Å; T622-L624 PolarHBondContact O-N 3.04Å; T622-H625 PolarHBondContact O-N 3.4Å; T622-T626 WeakPolarHBondContact O-CB 3.35Å; T622-T626 PolarHBondContact O-N 3.48Å; T622-T626 PolarHBondContact O-OG1 2.92Å
623C94.5Very high91.5Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-60.5-43.1175.5-68.90000111.2L619 I620 T626 A627 L655L619-C623 PolarHBondContact O-N 3.23Å; L619-C623 PolarHBondContact O-SG 3.27Å; I620-C623 PolarHBondContact O-N 3.34Å; C623-T626 PolarHBondContact O-N 2.84Å; C623-A627 WeakPolarHBondContact O-CB 3.33Å; C623-A627 PolarHBondContact O-N 3.17Å; C623-L655 HydrophobicContact CB-CB 3.75Å; C623-L655 HydrophobicContact CB-CD1 4.2Å; C623-L655 HydrophobicContact CB-CG 4.19Å
624L95.6Very high91.9Very high4 Ų434.9 Ų34.92%0.02118%0.175CC..Hα-helixtrans-61.4-49.8178.3179.663.4000111.6I620 V621 T622 T626 A627 R628 Y652 L655 E676 I679I620-L624 PolarHBondContact O-N 3.49Å; V621-L624 WeakPolarHBondContact O-CB 3.33Å; V621-L624 PolarHBondContact O-N 2.77Å; T622-L624 VanDerWaalsContact C-N 3.32Å; T622-L624 PolarHBondContact O-N 3.04Å; L624-T626 VanDerWaalsContact C-N 3.34Å; L624-T626 PolarHBondContact O-N 3.09Å; L624-A627 PolarHBondContact O-N 2.81Å; L624-R628 WeakPolarHBondContact O-CG 3.5Å; L624-R628 PolarHBondContact O-N 3.26Å; L624-Y652 HydrophobicContact CD1-CD1 4.41Å; L624-Y652 HydrophobicContact CD1-CE1 3.65Å; L624-L655 HydrophobicContact CB-CD1 3.64Å; L624-L655 HydrophobicContact CD1-CD1 4.45Å; L624-E676 HydrophobicContact CD2-CB 3.76Å; L624-E676 HydrophobicContact CD2-CG 3.53Å; L624-I679 HydrophobicContact CD1-CG2 4.16Å
625H95.7Very high92Very high53 Ų5329.9 Ų29.925%0.24515%0.151CC..Hα-helixtrans-62.7-42.5178.6-71.9-53000111.3Y594 V621 T622 A627 R628 L629Y594-H625 HydrophobicContact CD2-CB 4.48Å; Y594-H625 HydrophobicContact CE1-CB 4.39Å; Y594-H625 HydrophobicContact CE2-CB 3.82Å; V621-H625 WeakPolarHBondContact CG1-CD2 3.37Å; V621-H625 VanDerWaalsContact CG1-NE2 3.29Å; V621-H625 WeakPolarHBondContact CG1-NE2 3.3Å; V621-H625 PolarHBondContact O-CD2 2.97Å; V621-H625 PolarHBondContact O-N 2.99Å; T622-H625 PolarHBondContact O-N 3.4Å; H625-A627 PolarHBondContact O-N 2.9Å; H625-R628 PolarHBondContact O-N 3.2Å; H625-L629 WeakPolarHBondContact O-CB 3.12Å; H625-L629 VanDerWaalsContact O-CG 3.25Å; H625-L629 WeakPolarHBondContact O-CG 3.35Å; H625-L629 PolarHBondContact O-N 2.83Å
626T96.2Very high91.8Very high0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-61.2-44.5177.2-54.40000111.4I591 Y594 T622 C623 L624 R628 L629 Y630 F651I591-T626 HydrophobicContact CG1-CG2 4.44Å; I591-T626 HydrophobicContact CG2-CG2 4.23Å; Y594-T626 VanDerWaalsContact CB-OG1 3.26Å; Y594-T626 WeakPolarHBondContact CB-OG1 3.45Å; T622-T626 WeakPolarHBondContact O-CB 3.35Å; T622-T626 PolarHBondContact O-N 3.48Å; T622-T626 PolarHBondContact O-OG1 2.92Å; C623-T626 PolarHBondContact O-N 2.84Å; L624-T626 VanDerWaalsContact C-N 3.34Å; L624-T626 PolarHBondContact O-N 3.09Å; T626-R628 PolarHBondContact O-N 3.47Å; T626-L629 PolarHBondContact O-N 2.99Å; T626-Y630 HydrophobicContact CG2-CD2 4.02Å; T626-Y630 HydrophobicContact CG2-CE2 3.81Å; T626-Y630 VanDerWaalsContact O-CD2 3.27Å; T626-Y630 WeakPolarHBondContact O-CD2 3.48Å; T626-Y630 PolarHBondContact O-N 2.95Å; T626-F651 HydrophobicContact CG2-CD1 3.87Å; T626-F651 HydrophobicContact CG2-CD2 3.84Å; T626-F651 HydrophobicContact CG2-CE1 3.67Å; T626-F651 HydrophobicContact CG2-CE2 3.66Å; T626-F651 HydrophobicContact CG2-CG 3.96Å; T626-F651 HydrophobicContact CG2-CZ 3.57Å
627A96Very high91.6Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-61.6-44.1176.700000112.3C623 L624 H625 Y630 S631 A648 F651 Y652C623-A627 WeakPolarHBondContact O-CB 3.33Å; C623-A627 PolarHBondContact O-N 3.17Å; L624-A627 PolarHBondContact O-N 2.81Å; H625-A627 PolarHBondContact O-N 2.9Å; A627-Y630 PolarHBondContact O-N 3.34Å; A627-S631 PolarHBondContact O-N 3.36Å; A627-S631 PolarHBondContact O-OG 2.96Å; A627-A648 WeakPolarHBondContact CB-O 3.34Å; A627-A648 WeakPolarHBondContact O-CB 3.34Å; A627-F651 HydrophobicContact CB-CB 3.73Å; A627-Y652 HydrophobicContact CB-CD1 4.01Å; A627-Y652 HydrophobicContact CB-CD2 3.69Å; A627-Y652 HydrophobicContact CB-CE1 3.89Å; A627-Y652 HydrophobicContact CB-CE2 3.51Å; A627-Y652 HydrophobicContact CB-CG 3.92Å
628R94.7Very high91.5Very high85 Ų8534.8 Ų34.832%0.32119%0.194SC..Hα-helixtrans-63-40.1175.5-73.7176173.6175.70.2112.4L624 H625 T626 Y630 S631 Q632L624-R628 WeakPolarHBondContact O-CG 3.5Å; L624-R628 PolarHBondContact O-N 3.26Å; H625-R628 PolarHBondContact O-N 3.2Å; T626-R628 PolarHBondContact O-N 3.47Å; R628-Y630 VanDerWaalsContact C-N 3.35Å; R628-S631 WeakPolarHBondContact CA-OG 3.47Å; R628-S631 PolarHBondContact O-N 3.41Å; R628-S631 PolarHBondContact O-OG 3.25Å; R628-Q632 WeakPolarHBondContact O-CB 3.18Å; R628-Q632 WeakPolarHBondContact O-CG 3.32Å; R628-Q632 PolarHBondContact O-N 3.46Å; R628-Q632 PolarHBondContact O-OE1 3.38Å
629L95.2Very high91.4Very high6 Ų636.2 Ų36.23%0.03121%0.209CC..Hα-helixtrans-63.6-42.3177.1-72.9173.8000111.1T587 A590 I591 Y594 H625 T626 Q632 L633T587-L629 HydrophobicContact CG2-CB 3.9Å; T587-L629 HydrophobicContact CG2-CD2 4.15Å; T587-L629 VanDerWaalsContact CG2-O 3.27Å; T587-L629 WeakPolarHBondContact CG2-O 3.3Å; A590-L629 HydrophobicContact CB-CD1 3.6Å; I591-L629 HydrophobicContact CD1-CB 3.91Å; I591-L629 HydrophobicContact CG1-CB 3.67Å; I591-L629 HydrophobicContact CG1-CD1 3.94Å; I591-L629 HydrophobicContact CG1-CG 4.48Å; Y594-L629 HydrophobicContact CD2-CD1 3.76Å; Y594-L629 HydrophobicContact CE2-CD1 3.74Å; H625-L629 WeakPolarHBondContact O-CB 3.12Å; H625-L629 VanDerWaalsContact O-CG 3.25Å; H625-L629 WeakPolarHBondContact O-CG 3.35Å; H625-L629 PolarHBondContact O-N 2.83Å; T626-L629 PolarHBondContact O-N 2.99Å; L629-Q632 PolarHBondContact O-N 3.29Å; L629-L633 PolarHBondContact O-N 3.25Å
630Y95.6Very high91.2Very high11 Ų1139.9 Ų39.94%0.04323%0.226CC..Hα-helixtrans-61.2-45.6174.1-87.3-63.6000112.9I591 R595 T626 A627 R628 Q632 L633 K647 F651I591-Y630 HydrophobicContact CD1-CD1 3.93Å; I591-Y630 HydrophobicContact CD1-CD2 4.08Å; I591-Y630 HydrophobicContact CD1-CE1 3.86Å; I591-Y630 HydrophobicContact CD1-CE2 4.01Å; I591-Y630 HydrophobicContact CD1-CG 4.02Å; I591-Y630 HydrophobicContact CG1-CE2 4.31Å; I591-Y630 HydrophobicContact CG2-CE1 4.46Å; I591-Y630 HydrophobicContact CG2-CE2 3.67Å; I591-Y630 VanDerWaalsContact CG2-OH 3.28Å; I591-Y630 WeakPolarHBondContact CG2-OH 3.37Å; R595-Y630 PolarHBondContact NH1-OH 3.15Å; R595-Y630 PolarHBondContact NH2-OH 3.37Å; T626-Y630 HydrophobicContact CG2-CD2 4.02Å; T626-Y630 HydrophobicContact CG2-CE2 3.81Å; T626-Y630 VanDerWaalsContact O-CD2 3.27Å; T626-Y630 WeakPolarHBondContact O-CD2 3.48Å; T626-Y630 PolarHBondContact O-N 2.95Å; A627-Y630 PolarHBondContact O-N 3.34Å; R628-Y630 VanDerWaalsContact C-N 3.35Å; Y630-Q632 PolarHBondContact O-N 2.98Å; Y630-L633 HydrophobicContact CD1-CD1 3.84Å; Y630-L633 HydrophobicContact CE1-CD1 4.34Å; Y630-L633 PolarHBondContact O-N 3.1Å; Y630-K647 HydrophobicContact CD1-CB 3.78Å; Y630-K647 HydrophobicContact CD1-CD 3.95Å; Y630-K647 HydrophobicContact CD2-CB 4.14Å; Y630-K647 HydrophobicContact CE1-CB 3.93Å; Y630-K647 HydrophobicContact CE1-CD 3.41Å; Y630-K647 VanDerWaalsContact CE1-CD 3.41Å; Y630-K647 HydrophobicContact CE1-CG 4.31Å; Y630-K647 HydrophobicContact CE2-CB 4.28Å; Y630-K647 HydrophobicContact CG-CB 3.9Å; Y630-F651 AromaticContact CD2-CD2 3.92Å; Y630-F651 HydrophobicContact CD2-CD2 3.92Å; Y630-F651 HydrophobicContact CD2-CE2 4.05Å; Y630-F651 AromaticContact CE2-CD2 3.84Å; Y630-F651 HydrophobicContact CE2-CD2 3.84Å; Y630-F651 AromaticContact CE2-CE2 3.47Å; Y630-F651 HydrophobicContact CE2-CE2 3.47Å; Y630-F651 VanDerWaalsContact CE2-CE2 3.47Å; Y630-F651 HydrophobicContact CE2-CZ 4.43Å
631S92Very high91.1Very high48 Ų4841.6 Ų41.634%0.33623%0.234SC..Hα-helixtrans-67.9-18.6-178.466.10000113.8A627 R628A627-S631 PolarHBondContact O-N 3.36Å; A627-S631 PolarHBondContact O-OG 2.96Å; R628-S631 WeakPolarHBondContact CA-OG 3.47Å; R628-S631 PolarHBondContact O-N 3.41Å; R628-S631 PolarHBondContact O-OG 3.25Å
632Q89.4Confident91Very high91 Ų9143.1 Ų43.143%0.42524%0.241SC..THydrogen-bonded Turntrans-101.51.5-178.2-71.7173.7-28.300114.1R628 L629 Y630 I634R628-Q632 WeakPolarHBondContact O-CB 3.18Å; R628-Q632 WeakPolarHBondContact O-CG 3.32Å; R628-Q632 PolarHBondContact O-N 3.46Å; R628-Q632 PolarHBondContact O-OE1 3.38Å; L629-Q632 PolarHBondContact O-N 3.29Å; Y630-Q632 PolarHBondContact O-N 2.98Å; Q632-I634 PolarHBondContact O-N 3.4Å
633L90.7Very high91Very high19 Ų1948 Ų4810%0.09926%0.264CS..SBendtrans-62.8131.5173.9-80.6167.7000110.9D584 T587 K588 I591 L629 Y630 S635 N644D584-L633 HydrophobicContact CB-CD2 4.49Å; T587-L633 HydrophobicContact CG2-CD2 3.47Å; T587-L633 VanDerWaalsContact CG2-CD2 3.47Å; T587-L633 HydrophobicContact CG2-CG 3.8Å; K588-L633 HydrophobicContact CG-CD2 4.33Å; I591-L633 HydrophobicContact CD1-CD1 4.41Å; L629-L633 PolarHBondContact O-N 3.25Å; Y630-L633 HydrophobicContact CD1-CD1 3.84Å; Y630-L633 HydrophobicContact CE1-CD1 4.34Å; Y630-L633 PolarHBondContact O-N 3.1Å; L633-S635 PolarHBondContact O-N 3.04Å; L633-S635 PolarHBondContact O-OG 3.03Å; L633-N644 WeakPolarHBondContact CD1-OD1 3.27Å
634I84.7Confident90.9Very high60 Ų6049 Ų4931%0.30827%0.269SS..  trans-69.6121176.2-54.9170.2000107.7L565 A580 D584 Q632L565-I634 HydrophobicContact CD2-CD1 4.33Å; A580-I634 HydrophobicContact CB-CD1 3.6Å; D584-I634 WeakPolarHBondContact OD1-CG1 3.36Å; D584-I634 PolarHBondContact OD1-N 3Å; D584-I634 WeakPolarHBondContact OD2-CB 3.32Å; Q632-I634 PolarHBondContact O-N 3.4Å
635S83Confident90.8Very high36 Ų3649.3 Ų49.325%0.25227%0.271SS..  trans-109.5128.3-175.9-56.20000109.3L633 K641 N644L633-S635 PolarHBondContact O-N 3.04Å; L633-S635 PolarHBondContact O-OG 3.03Å; S635-K641 WeakPolarHBondContact OG-CA 3.45Å; S635-N644 PolarHBondContact OG-ND2 2.98Å; S635-N644 VanDerWaalsContact OG-ND2 3.1Å
636T81.5Confident90.8Very high124 Ų12449.3 Ų49.376%0.76127%0.274SS*.SBendtrans-83.7-23.6-178.460.90000112.7E640T636-E640 PolarHBondContact N-OE2 2.9Å; T636-E640 PolarHBondContact OG1-OE2 3.35Å
637C84.9Confident90.8Very high62 Ų6252 Ų5242%0.41929%0.286SS..SBendtrans-139161.717769.40000111.9A639 E640 K641C637-A639 PolarHBondContact O-N 3.27Å; C637-E640 PolarHBondContact O-N 2.98Å; C637-K641 PolarHBondContact O-N 3.47Å; C637-K641 VanDerWaalsContact O-N 3.1Å
638T86.1Confident90.8Very high76 Ų7652 Ų5247%0.46629%0.286SS..Hα-helixtrans-59.3-33.6179.8-48.50000112.4K641 I642 L694T638-K641 PolarHBondContact O-N 2.92Å; T638-I642 HydrophobicContact CG2-CD1 4.06Å; T638-I642 HydrophobicContact CG2-CG1 4.42Å; T638-I642 WeakPolarHBondContact O-CB 3.47Å; T638-I642 VanDerWaalsContact O-CG1 3.3Å; T638-I642 WeakPolarHBondContact O-CG1 3.12Å; T638-I642 PolarHBondContact O-N 3.17Å; T638-L694 HydrophobicContact CG2-CB 4.34Å; T638-L694 HydrophobicContact CG2-CD2 4.44Å
639A89.9Confident90.8Very high67 Ų6749.5 Ų49.555%0.55428%0.279SS*.Hα-helixtrans-64-43.5178.100000112.2C637 I642 Q643C637-A639 PolarHBondContact O-N 3.27Å; A639-I642 PolarHBondContact O-N 2.94Å; A639-Q643 WeakPolarHBondContact O-CB 3.44Å; A639-Q643 PolarHBondContact O-N 2.99Å
640E89.1Confident90.8Very high76 Ų7654.3 Ų54.336%0.35530%0.301SS..Hα-helixtrans-63.5-42.3173.1-73.8178.7164.400111.4T636 C637 I642 Q643 N644T636-E640 PolarHBondContact N-OE2 2.9Å; T636-E640 PolarHBondContact OG1-OE2 3.35Å; C637-E640 PolarHBondContact O-N 2.98Å; E640-I642 VanDerWaalsContact C-N 3.34Å; E640-I642 PolarHBondContact O-N 3.46Å; E640-Q643 PolarHBondContact O-N 3.45Å; E640-N644 WeakPolarHBondContact O-CB 2.98Å; E640-N644 VanDerWaalsContact O-CG 3.24Å; E640-N644 PolarHBondContact O-N 3.25Å; E640-N644 PolarHBondContact O-ND2 3.16Å
641K90Very high90.8Very high37 Ų3754.3 Ų54.316%0.16130%0.301CS..Hα-helixtrans-60.7-43.7177.7-165.6169.6-173.7165.80111.3S635 C637 T638 L645 L694 D702S635-K641 WeakPolarHBondContact OG-CA 3.45Å; C637-K641 PolarHBondContact O-N 3.47Å; C637-K641 VanDerWaalsContact O-N 3.1Å; T638-K641 PolarHBondContact O-N 2.92Å; K641-L645 HydrophobicContact CG-CD1 4.32Å; K641-L645 WeakPolarHBondContact O-CB 3.15Å; K641-L645 WeakPolarHBondContact O-CG 3.24Å; K641-L645 PolarHBondContact O-N 3.34Å; K641-L694 HydrophobicContact CD-CD1 4.23Å; K641-L694 HydrophobicContact CD-CD2 4.24Å; K641-L694 HydrophobicContact CG-CD1 4.08Å; K641-D702 IonicContact NZ-OD1 2.71Å; K641-D702 PolarHBondContact NZ-OD1 2.94Å
642I91.8Very high91Very high50 Ų5052.3 Ų52.326%0.25629%0.287SS..Hα-helixtrans-61.2-50.4174.4-72.1169.2000109.9T638 A639 E640 N644 L645 T646 L691 L694T638-I642 HydrophobicContact CG2-CD1 4.06Å; T638-I642 HydrophobicContact CG2-CG1 4.42Å; T638-I642 WeakPolarHBondContact O-CB 3.47Å; T638-I642 VanDerWaalsContact O-CG1 3.3Å; T638-I642 WeakPolarHBondContact O-CG1 3.12Å; T638-I642 PolarHBondContact O-N 3.17Å; A639-I642 PolarHBondContact O-N 2.94Å; E640-I642 VanDerWaalsContact C-N 3.34Å; E640-I642 PolarHBondContact O-N 3.46Å; I642-N644 VanDerWaalsContact C-N 3.34Å; I642-N644 PolarHBondContact O-N 3.05Å; I642-L645 PolarHBondContact O-N 2.94Å; I642-T646 PolarHBondContact O-N 3.17Å; I642-T646 PolarHBondContact O-OG1 2.96Å; I642-L691 HydrophobicContact CB-CD2 4.43Å; I642-L691 HydrophobicContact CG2-CD2 4.09Å; I642-L694 HydrophobicContact CD1-CB 4.25Å; I642-L694 HydrophobicContact CG1-CB 3.91Å
643Q93.7Very high91.3Very high104 Ų10451.4 Ų51.449%0.48629%0.287SS..Hα-helixtrans-59.5-43.5-179.2-171.4-175.315.900112.6A639 E640 T646 K647A639-Q643 WeakPolarHBondContact O-CB 3.44Å; A639-Q643 PolarHBondContact O-N 2.99Å; E640-Q643 PolarHBondContact O-N 3.45Å; Q643-T646 PolarHBondContact O-N 3.39Å; Q643-K647 WeakPolarHBondContact O-CG 3.3Å; Q643-K647 PolarHBondContact O-N 3.45Å; Q643-K647 VanDerWaalsContact O-N 3.07Å
644N93.4Very high91.4Very high20 Ų2051.9 Ų51.911%0.10729%0.289CS..Hα-helixtrans-65.4-42.6179-72.4-25.7000111.6L633 S635 E640 I642 K647 A648L633-N644 WeakPolarHBondContact CD1-OD1 3.27Å; S635-N644 PolarHBondContact OG-ND2 2.98Å; S635-N644 VanDerWaalsContact OG-ND2 3.1Å; E640-N644 WeakPolarHBondContact O-CB 2.98Å; E640-N644 VanDerWaalsContact O-CG 3.24Å; E640-N644 PolarHBondContact O-N 3.25Å; E640-N644 PolarHBondContact O-ND2 3.16Å; I642-N644 VanDerWaalsContact C-N 3.34Å; I642-N644 PolarHBondContact O-N 3.05Å; N644-K647 PolarHBondContact O-N 3.37Å; N644-A648 PolarHBondContact O-N 2.89Å
645L94Very high91.8Very high11 Ų1149 Ų496%0.05827%0.274CS..Hα-helixtrans-68.8-35.1176.4-73.7174.4000112.8K641 I642 A648 L649 I687 K690 L691 L694K641-L645 HydrophobicContact CG-CD1 4.32Å; K641-L645 WeakPolarHBondContact O-CB 3.15Å; K641-L645 WeakPolarHBondContact O-CG 3.24Å; K641-L645 PolarHBondContact O-N 3.34Å; I642-L645 PolarHBondContact O-N 2.94Å; L645-A648 WeakPolarHBondContact O-CB 3.2Å; L645-A648 PolarHBondContact O-N 3.25Å; L645-L649 PolarHBondContact O-N 3.02Å; L645-I687 HydrophobicContact CB-CG2 4.36Å; L645-K690 HydrophobicContact CD1-CD 4.11Å; L645-K690 HydrophobicContact CD1-CG 4.24Å; L645-L691 HydrophobicContact CB-CD2 3.6Å; L645-L691 HydrophobicContact CB-CG 4.2Å; L645-L691 HydrophobicContact CD1-CD2 4.45Å; L645-L694 HydrophobicContact CD1-CD1 3.44Å; L645-L694 VanDerWaalsContact CD1-CD1 3.44Å
646T95.4Very high92.3Very high53 Ų5348.3 Ų48.333%0.32527%0.268SS..Hα-helixtrans-61.5-46.1172.6-61.10000110.7I642 Q643 A648 L649 E650I642-T646 PolarHBondContact O-N 3.17Å; I642-T646 PolarHBondContact O-OG1 2.96Å; Q643-T646 PolarHBondContact O-N 3.39Å; T646-A648 VanDerWaalsContact C-N 3.35Å; T646-A648 PolarHBondContact O-N 3.22Å; T646-L649 WeakPolarHBondContact O-CB 3.39Å; T646-L649 PolarHBondContact O-N 3.4Å; T646-E650 WeakPolarHBondContact O-CG 3.4Å; T646-E650 PolarHBondContact O-N 3.13Å
647K95.4Very high92.8Very high57 Ų5744.4 Ų44.425%0.24825%0.248CC..Hα-helixtrans-62.9-40.4174.7-71.2177.7-176.11700112.3Y630 Q643 N644 L649 E650 F651Y630-K647 HydrophobicContact CD1-CB 3.78Å; Y630-K647 HydrophobicContact CD1-CD 3.95Å; Y630-K647 HydrophobicContact CD2-CB 4.14Å; Y630-K647 HydrophobicContact CE1-CB 3.93Å; Y630-K647 HydrophobicContact CE1-CD 3.41Å; Y630-K647 VanDerWaalsContact CE1-CD 3.41Å; Y630-K647 HydrophobicContact CE1-CG 4.31Å; Y630-K647 HydrophobicContact CE2-CB 4.28Å; Y630-K647 HydrophobicContact CG-CB 3.9Å; Q643-K647 WeakPolarHBondContact O-CG 3.3Å; Q643-K647 PolarHBondContact O-N 3.45Å; Q643-K647 VanDerWaalsContact O-N 3.07Å; N644-K647 PolarHBondContact O-N 3.37Å; K647-L649 VanDerWaalsContact C-N 3.3Å; K647-L649 PolarHBondContact O-N 3.03Å; K647-E650 WeakPolarHBondContact O-CB 3.49Å; K647-E650 PolarHBondContact O-N 3.43Å; K647-F651 WeakPolarHBondContact O-CD2 3.48Å; K647-F651 PolarHBondContact O-N 3.35Å
648A95.6Very high93Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-58.3-45.3174.700000111.1A627 N644 L645 T646 E650 F651 Y652A627-A648 WeakPolarHBondContact CB-O 3.34Å; A627-A648 WeakPolarHBondContact O-CB 3.34Å; N644-A648 PolarHBondContact O-N 2.89Å; L645-A648 WeakPolarHBondContact O-CB 3.2Å; L645-A648 PolarHBondContact O-N 3.25Å; T646-A648 VanDerWaalsContact C-N 3.35Å; T646-A648 PolarHBondContact O-N 3.22Å; A648-E650 PolarHBondContact O-N 3.07Å; A648-F651 PolarHBondContact O-N 3.38Å; A648-Y652 HydrophobicContact CB-CE2 4.36Å; A648-Y652 WeakPolarHBondContact O-CD2 3.36Å; A648-Y652 PolarHBondContact O-N 3.48Å
649L96Very high93.3Very high31 Ų3138.4 Ų38.416%0.16221%0.209CC..Hα-helixtrans-59.5-44.2176.7179.261000112.3L645 T646 K647 F651 Y652 V653 V684 I687 P688 L691L645-L649 PolarHBondContact O-N 3.02Å; T646-L649 WeakPolarHBondContact O-CB 3.39Å; T646-L649 PolarHBondContact O-N 3.4Å; K647-L649 VanDerWaalsContact C-N 3.3Å; K647-L649 PolarHBondContact O-N 3.03Å; L649-F651 VanDerWaalsContact C-N 3.28Å; L649-F651 PolarHBondContact O-N 3.05Å; L649-Y652 PolarHBondContact O-N 3.1Å; L649-Y652 VanDerWaalsContact O-N 3.17Å; L649-V653 HydrophobicContact CD1-CG2 4.04Å; L649-V653 HydrophobicContact CG-CG2 4.34Å; L649-V653 WeakPolarHBondContact O-CG2 3.36Å; L649-V653 PolarHBondContact O-N 3.31Å; L649-V684 HydrophobicContact CD1-CG2 4.48Å; L649-I687 HydrophobicContact CB-CG2 3.94Å; L649-I687 HydrophobicContact CD1-CB 4.31Å; L649-P688 HydrophobicContact CD1-CG 4.19Å; L649-P688 HydrophobicContact CD2-CG 3.91Å; L649-L691 HydrophobicContact CD2-CD1 4.17Å
650E95.1Very high93.3Very high107 Ų10738.7 Ų38.750%0.520%0.199SC..Hα-helixtrans-53.9-45.4176.5-70.2165.8-169.300111.8T646 K647 A648 V653 Q654T646-E650 WeakPolarHBondContact O-CG 3.4Å; T646-E650 PolarHBondContact O-N 3.13Å; K647-E650 WeakPolarHBondContact O-CB 3.49Å; K647-E650 PolarHBondContact O-N 3.43Å; A648-E650 PolarHBondContact O-N 3.07Å; E650-V653 PolarHBondContact O-N 3.36Å; E650-Q654 WeakPolarHBondContact O-CB 3.35Å; E650-Q654 PolarHBondContact O-N 3.32Å
651F95.2Very high93.3Very high12 Ų1238 Ų385%0.05320%0.198CC..Hα-helixtrans-70.6-36.1178.3-82.8-78.8000113.4R595 L598 T626 A627 Y630 K647 A648 L649 Q654 L655R595-F651 HydrophobicContact CG-CZ 4.19Å; L598-F651 HydrophobicContact CD1-CE1 3.89Å; T626-F651 HydrophobicContact CG2-CD1 3.87Å; T626-F651 HydrophobicContact CG2-CD2 3.84Å; T626-F651 HydrophobicContact CG2-CE1 3.67Å; T626-F651 HydrophobicContact CG2-CE2 3.66Å; T626-F651 HydrophobicContact CG2-CG 3.96Å; T626-F651 HydrophobicContact CG2-CZ 3.57Å; A627-F651 HydrophobicContact CB-CB 3.73Å; Y630-F651 AromaticContact CD2-CD2 3.92Å; Y630-F651 HydrophobicContact CD2-CD2 3.92Å; Y630-F651 HydrophobicContact CD2-CE2 4.05Å; Y630-F651 AromaticContact CE2-CD2 3.84Å; Y630-F651 HydrophobicContact CE2-CD2 3.84Å; Y630-F651 AromaticContact CE2-CE2 3.47Å; Y630-F651 HydrophobicContact CE2-CE2 3.47Å; Y630-F651 VanDerWaalsContact CE2-CE2 3.47Å; Y630-F651 HydrophobicContact CE2-CZ 4.43Å; K647-F651 WeakPolarHBondContact O-CD2 3.48Å; K647-F651 PolarHBondContact O-N 3.35Å; A648-F651 PolarHBondContact O-N 3.38Å; L649-F651 VanDerWaalsContact C-N 3.28Å; L649-F651 PolarHBondContact O-N 3.05Å; F651-Q654 PolarHBondContact O-N 2.81Å; F651-L655 WeakPolarHBondContact O-CB 3.27Å; F651-L655 PolarHBondContact O-N 3.41Å
652Y96Very high93.2Very high6 Ų636.7 Ų36.72%0.02419%0.192CC..Hα-helixtrans-64.1-42.6173.3-76.2-63.2000111.8L624 A627 A648 L649 L655 V656 A680 M683 I687L624-Y652 HydrophobicContact CD1-CD1 4.41Å; L624-Y652 HydrophobicContact CD1-CE1 3.65Å; A627-Y652 HydrophobicContact CB-CD1 4.01Å; A627-Y652 HydrophobicContact CB-CD2 3.69Å; A627-Y652 HydrophobicContact CB-CE1 3.89Å; A627-Y652 HydrophobicContact CB-CE2 3.51Å; A627-Y652 HydrophobicContact CB-CG 3.92Å; A648-Y652 HydrophobicContact CB-CE2 4.36Å; A648-Y652 WeakPolarHBondContact O-CD2 3.36Å; A648-Y652 PolarHBondContact O-N 3.48Å; L649-Y652 PolarHBondContact O-N 3.1Å; L649-Y652 VanDerWaalsContact O-N 3.17Å; Y652-L655 WeakPolarHBondContact O-CB 3.33Å; Y652-L655 PolarHBondContact O-N 3.21Å; Y652-V656 WeakPolarHBondContact O-CG2 3.29Å; Y652-V656 PolarHBondContact O-N 3.41Å; Y652-V656 VanDerWaalsContact O-N 3.08Å; Y652-A680 HydrophobicContact CD1-CB 3.97Å; Y652-M683 HydrophobicContact CD1-CB 3.89Å; Y652-M683 HydrophobicContact CD1-CG 4.41Å; Y652-M683 HydrophobicContact CD2-CB 3.92Å; Y652-M683 HydrophobicContact CE1-CB 3.81Å; Y652-M683 HydrophobicContact CE1-CG 3.84Å; Y652-M683 HydrophobicContact CE2-CB 3.89Å; Y652-M683 HydrophobicContact CE2-CE 4.15Å; Y652-M683 HydrophobicContact CE2-CG 4.22Å; Y652-M683 HydrophobicContact CG-CB 3.94Å; Y652-I687 HydrophobicContact CD2-CD1 3.31Å; Y652-I687 HydrophobicContact CE2-CD1 3.4Å; Y652-I687 VanDerWaalsContact CE2-CD1 3.4Å; Y652-I687 HydrophobicContact CG-CD1 4.46Å
653V94.9Very high93.1Very high71 Ų7135.9 Ų35.943%0.4319%0.188SC..Hα-helixtrans-64-43.3175.41720000110.7L649 E650 L655 V656 A657 V684L649-V653 HydrophobicContact CD1-CG2 4.04Å; L649-V653 HydrophobicContact CG-CG2 4.34Å; L649-V653 WeakPolarHBondContact O-CG2 3.36Å; L649-V653 PolarHBondContact O-N 3.31Å; E650-V653 PolarHBondContact O-N 3.36Å; V653-L655 VanDerWaalsContact C-N 3.33Å; V653-L655 PolarHBondContact O-N 2.95Å; V653-V656 PolarHBondContact O-N 3.5Å; V653-A657 WeakPolarHBondContact O-CB 3.44Å; V653-A657 PolarHBondContact O-N 2.88Å; V653-V684 HydrophobicContact CG2-CG1 4.14Å; V653-V684 HydrophobicContact CG2-CG2 3.9Å
654Q92.9Very high92.9Very high30 Ų3037.8 Ų37.814%0.1420%0.197CC..Hα-helixtrans-60.7-42176.3-173.3176.11700112E650 F651 A657 L658E650-Q654 WeakPolarHBondContact O-CB 3.35Å; E650-Q654 PolarHBondContact O-N 3.32Å; F651-Q654 PolarHBondContact O-N 2.81Å; Q654-A657 PolarHBondContact O-N 3.36Å; Q654-L658 HydrophobicContact CG-CD1 4.18Å; Q654-L658 HydrophobicContact CG-CG 4.47Å; Q654-L658 WeakPolarHBondContact O-CB 3.45Å; Q654-L658 VanDerWaalsContact O-CG 3.29Å; Q654-L658 WeakPolarHBondContact O-CG 3.08Å; Q654-L658 PolarHBondContact O-N 3.34Å
655L93.5Very high92.5Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-58.3-51.7175.1-173.6166.3000111.1I620 C623 L624 F651 Y652 V653 A657 L658 A659 L677 A680I620-L655 HydrophobicContact CB-CD2 4.28Å; I620-L655 HydrophobicContact CB-CG 3.99Å; I620-L655 HydrophobicContact CG2-CD2 4.5Å; I620-L655 HydrophobicContact CG2-CG 4.4Å; I620-L655 WeakPolarHBondContact O-CD1 3.31Å; C623-L655 HydrophobicContact CB-CB 3.75Å; C623-L655 HydrophobicContact CB-CD1 4.2Å; C623-L655 HydrophobicContact CB-CG 4.19Å; L624-L655 HydrophobicContact CB-CD1 3.64Å; L624-L655 HydrophobicContact CD1-CD1 4.45Å; F651-L655 WeakPolarHBondContact O-CB 3.27Å; F651-L655 PolarHBondContact O-N 3.41Å; Y652-L655 WeakPolarHBondContact O-CB 3.33Å; Y652-L655 PolarHBondContact O-N 3.21Å; V653-L655 VanDerWaalsContact C-N 3.33Å; V653-L655 PolarHBondContact O-N 2.95Å; L655-A657 VanDerWaalsContact C-N 3.31Å; L655-A657 PolarHBondContact O-N 2.83Å; L655-L658 PolarHBondContact O-N 2.99Å; L655-A659 WeakPolarHBondContact O-CB 3.22Å; L655-A659 PolarHBondContact O-N 3.07Å; L655-L677 HydrophobicContact CD2-CD1 3.99Å; L655-A680 HydrophobicContact CB-CB 4.4Å; L655-A680 HydrophobicContact CD1-CB 3.87Å; L655-A680 HydrophobicContact CD2-CB 3.58Å; L655-A680 HydrophobicContact CG-CB 4.16Å
656V93.6Very high92.1Very high20 Ų2045.7 Ų45.712%0.12123%0.229CC..Hα-helixtrans-58.7-45.9179.9173.40000110.2Y652 V653 L658 A659 E660 L677 A680 K681 V684Y652-V656 WeakPolarHBondContact O-CG2 3.29Å; Y652-V656 PolarHBondContact O-N 3.41Å; Y652-V656 VanDerWaalsContact O-N 3.08Å; V653-V656 PolarHBondContact O-N 3.5Å; V656-L658 PolarHBondContact O-N 3.05Å; V656-A659 PolarHBondContact O-N 3.15Å; V656-E660 HydrophobicContact CG1-CG 4.14Å; V656-E660 WeakPolarHBondContact O-CB 3.5Å; V656-E660 VanDerWaalsContact O-CG 3.3Å; V656-E660 WeakPolarHBondContact O-CG 3.3Å; V656-E660 PolarHBondContact O-N 3.07Å; V656-L677 HydrophobicContact CG2-CD1 4.22Å; V656-A680 HydrophobicContact CG2-CB 3.89Å; V656-K681 HydrophobicContact CG1-CG 4.38Å; V656-K681 HydrophobicContact CG2-CG 3.92Å; V656-V684 HydrophobicContact CG2-CG2 4.19Å
657A91.9Very high91.7Very high42 Ų4248.2 Ų48.235%0.34724%0.244SC..Hα-helixtrans-61.4-44.217800000112.6V653 Q654 L655 N661V653-A657 WeakPolarHBondContact O-CB 3.44Å; V653-A657 PolarHBondContact O-N 2.88Å; Q654-A657 PolarHBondContact O-N 3.36Å; L655-A657 VanDerWaalsContact C-N 3.31Å; L655-A657 PolarHBondContact O-N 2.83Å; A657-N661 VanDerWaalsContact O-CB 3.27Å; A657-N661 WeakPolarHBondContact O-CB 3.24Å; A657-N661 PolarHBondContact O-N 3.42Å; A657-N661 PolarHBondContact O-ND2 3.45Å
658L90.3Very high91.2Very high13 Ų1350.1 Ų50.17%0.06826%0.264CS..Hα-helixtrans-61.2-47177-75172.6000111.6V603 I616 Q654 L655 V656 H662V603-L658 HydrophobicContact CG1-CD1 4.25Å; V603-L658 HydrophobicContact CG1-CD2 4.49Å; I616-L658 HydrophobicContact CD1-CB 4.38Å; Q654-L658 HydrophobicContact CG-CD1 4.18Å; Q654-L658 HydrophobicContact CG-CG 4.47Å; Q654-L658 WeakPolarHBondContact O-CB 3.45Å; Q654-L658 VanDerWaalsContact O-CG 3.29Å; Q654-L658 WeakPolarHBondContact O-CG 3.08Å; Q654-L658 PolarHBondContact O-N 3.34Å; L655-L658 PolarHBondContact O-N 2.99Å; V656-L658 PolarHBondContact O-N 3.05Å; L658-H662 PolarHBondContact O-N 3.2Å; L658-H662 VanDerWaalsContact O-N 3.16Å
659A91Very high90.8Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-66.6-44.918000000112.1I620 L655 V656 H662 I663 I671 L677I620-A659 HydrophobicContact CG2-CB 4.28Å; L655-A659 WeakPolarHBondContact O-CB 3.22Å; L655-A659 PolarHBondContact O-N 3.07Å; V656-A659 PolarHBondContact O-N 3.15Å; A659-H662 WeakPolarHBondContact O-CB 3.45Å; A659-H662 PolarHBondContact O-N 3.32Å; A659-I663 WeakPolarHBondContact O-CD1 3.45Å; A659-I663 WeakPolarHBondContact O-CG1 3.16Å; A659-I663 PolarHBondContact O-N 3.42Å; A659-I671 HydrophobicContact CB-CG2 4.07Å; A659-L677 HydrophobicContact CB-CD1 3.62Å; A659-L677 HydrophobicContact CB-CD2 3.96Å; A659-L677 HydrophobicContact CB-CG 4.29Å
660E90.9Very high90.5Very high72 Ų7252.5 Ų52.534%0.33629%0.288SS..Hα-helixtrans-66.7-40.2-179.5-72.2-178.116600112.2V656 H662 I663 Q664 K681V656-E660 HydrophobicContact CG1-CG 4.14Å; V656-E660 WeakPolarHBondContact O-CB 3.5Å; V656-E660 VanDerWaalsContact O-CG 3.3Å; V656-E660 WeakPolarHBondContact O-CG 3.3Å; V656-E660 PolarHBondContact O-N 3.07Å; E660-H662 VanDerWaalsContact C-N 3.27Å; E660-H662 PolarHBondContact O-N 2.92Å; E660-I663 PolarHBondContact O-N 2.84Å; E660-Q664 WeakPolarHBondContact O-CB 3.42Å; E660-Q664 VanDerWaalsContact O-CG 3.27Å; E660-Q664 WeakPolarHBondContact O-CG 3.45Å; E660-Q664 PolarHBondContact O-N 2.99Å; E660-K681 WeakPolarHBondContact OE1-CE 3.38Å; E660-K681 IonicContact OE1-NZ 2.78Å; E660-K681 PolarHBondContact OE1-NZ 3.15Å
661N88.3Confident90.2Very high61 Ų6147.9 Ų47.933%0.32627%0.266SS..Hα-helixtrans-60.7-37.6172.8-73.2-26.6000111.8A657 R665A657-N661 VanDerWaalsContact O-CB 3.27Å; A657-N661 WeakPolarHBondContact O-CB 3.24Å; A657-N661 PolarHBondContact O-N 3.42Å; A657-N661 PolarHBondContact O-ND2 3.45Å; N661-R665 WeakPolarHBondContact O-CG 3.33Å; N661-R665 PolarHBondContact O-N 2.96Å
662H88.4Confident89.8Confident11 Ų1151.9 Ų51.95%0.05128%0.284CS..Hα-helixtrans-68.8-46.4176-169.9-81.3000111.8D613 I616 L658 A659 E660 Q664 R665 D666D613-H662 IonicContact OD1-CE1 2.65Å; D613-H662 PolarHBondContact OD1-CE1 3.07Å; D613-H662 IonicContact OD1-NE2 3.54Å; D613-H662 PolarHBondContact OD1-NE2 3.41Å; D613-H662 IonicContact OD2-CE1 3.85Å; I616-H662 HydrophobicContact CD1-CB 4.36Å; I616-H662 HydrophobicContact CG1-CB 4.09Å; L658-H662 PolarHBondContact O-N 3.2Å; L658-H662 VanDerWaalsContact O-N 3.16Å; A659-H662 WeakPolarHBondContact O-CB 3.45Å; A659-H662 PolarHBondContact O-N 3.32Å; E660-H662 VanDerWaalsContact C-N 3.27Å; E660-H662 PolarHBondContact O-N 2.92Å; H662-Q664 VanDerWaalsContact C-N 3.27Å; H662-Q664 PolarHBondContact O-N 3.23Å; H662-R665 PolarHBondContact O-N 2.86Å; H662-D666 PolarHBondContact O-N 3.14Å
663I90.3Very high89.5Confident33 Ų3357.7 Ų57.717%0.16932%0.316CS..Hα-helixtrans-61.8-34.6178-65.6159.3000111.6A659 E660 R665 D666 V667 T669 K672 L677A659-I663 WeakPolarHBondContact O-CD1 3.45Å; A659-I663 WeakPolarHBondContact O-CG1 3.16Å; A659-I663 PolarHBondContact O-N 3.42Å; E660-I663 PolarHBondContact O-N 2.84Å; I663-R665 VanDerWaalsContact C-N 3.28Å; I663-R665 PolarHBondContact O-N 2.77Å; I663-D666 CarbonylContact O-C 3.29Å; I663-V667 WeakPolarHBondContact O-CA 3.45Å; I663-V667 PolarHBondContact O-N 3.43Å; I663-V667 VanDerWaalsContact O-N 3.17Å; I663-T669 HydrophobicContact CB-CG2 4.44Å; I663-T669 HydrophobicContact CG1-CG2 3.84Å; I663-K672 HydrophobicContact CD1-CB 3.86Å; I663-K672 HydrophobicContact CG1-CB 4.03Å; I663-K672 HydrophobicContact CG2-CB 4.31Å; I663-L677 HydrophobicContact CD1-CD2 3.75Å
664Q88.1Confident89.3Confident144 Ų14455.2 Ų55.267%0.67330%0.301SS*.Hα-helixtrans-65.7-32174.7-75.8174.513.100112.6E660 H662E660-Q664 WeakPolarHBondContact O-CB 3.42Å; E660-Q664 VanDerWaalsContact O-CG 3.27Å; E660-Q664 WeakPolarHBondContact O-CG 3.45Å; E660-Q664 PolarHBondContact O-N 2.99Å; H662-Q664 VanDerWaalsContact C-N 3.27Å; H662-Q664 PolarHBondContact O-N 3.23Å
665R85.7Confident89.3Confident144 Ų14458.1 Ų58.154%0.54332%0.315SS..Hα-helixtrans-80.9-36.8177.7-69174.865.3-137.9-5.5112.1N610 N661 H662 I663N610-R665 PolarHBondContact OD1-NH1 2.92Å; N661-R665 WeakPolarHBondContact O-CG 3.33Å; N661-R665 PolarHBondContact O-N 2.96Å; H662-R665 PolarHBondContact O-N 2.86Å; I663-R665 VanDerWaalsContact C-N 3.28Å; I663-R665 PolarHBondContact O-N 2.77Å
666D86.1Confident89.3Confident53 Ų5360.4 Ų60.428%0.28333%0.325SS..  trans-133.398.8173.3-179.310.6000110.9H662 I663 S668 T669H662-D666 PolarHBondContact O-N 3.14Å; I663-D666 CarbonylContact O-C 3.29Å; D666-S668 PolarHBondContact O-N 3.46Å; D666-S668 WeakPolarHBondContact OD1-CA 3.48Å; D666-S668 WeakPolarHBondContact OD1-CB 3.34Å; D666-S668 PolarHBondContact OD1-N 3.32Å; D666-S668 PolarHBondContact OD1-OG 3.3Å; D666-T669 WeakPolarHBondContact O-CB 3.43Å; D666-T669 WeakPolarHBondContact O-CG2 3.45Å; D666-T669 PolarHBondContact O-N 2.86Å; D666-T669 PolarHBondContact OD1-N 2.8Å
667V86.1Confident89.3Confident106 Ų10659.7 Ų59.764%0.64232%0.321SS*.THydrogen-bonded Turntrans-66.7-20.6179.4-175.70000111.9I663 K672I663-V667 WeakPolarHBondContact O-CA 3.45Å; I663-V667 PolarHBondContact O-N 3.43Å; I663-V667 VanDerWaalsContact O-N 3.17Å; V667-K672 PolarHBondContact O-NZ 2.7Å
668S86.1Confident89.5Confident96 Ų9663.1 Ų63.167%0.67133%0.325SS*.THydrogen-bonded Turntrans-86.4-9.2-179.1740000114.1D666D666-S668 PolarHBondContact O-N 3.46Å; D666-S668 WeakPolarHBondContact OD1-CA 3.48Å; D666-S668 WeakPolarHBondContact OD1-CB 3.34Å; D666-S668 PolarHBondContact OD1-N 3.32Å; D666-S668 PolarHBondContact OD1-OG 3.3Å
669T87.2Confident89.7Confident2 Ų264 Ų641%0.01233%0.329CS..  trans-58.3141.9-178.5-171.70000112.7D613 I663 D666 I671 K672D613-T669 PolarHBondContact OD2-OG1 2.92Å; I663-T669 HydrophobicContact CB-CG2 4.44Å; I663-T669 HydrophobicContact CG1-CG2 3.84Å; D666-T669 WeakPolarHBondContact O-CB 3.43Å; D666-T669 WeakPolarHBondContact O-CG2 3.45Å; D666-T669 PolarHBondContact O-N 2.86Å; D666-T669 PolarHBondContact OD1-N 2.8Å; T669-I671 HydrophobicContact CG2-CB 3.94Å; T669-I671 HydrophobicContact CG2-CG1 4.47Å; T669-I671 PolarHBondContact O-N 2.84Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.49Å; T669-I671 PolarHBondContact OG1-N 2.68Å; T669-K672 WeakPolarHBondContact O-CG 3.48Å
670A89Confident89.9Confident79 Ų7964 Ų6465%0.65333%0.329SS*.G310 helixtrans-68.9-12.117500000113.1K672 D673A670-K672 PolarHBondContact O-N 2.94Å; A670-D673 PolarHBondContact O-N 3.38Å
671I88.4Confident90.1Very high10 Ų1064.9 Ų64.95%0.05133%0.332CS..G310 helixtrans-62.5-27179.1-59.6-63.2000112.4I616 K617 I620 A659 T669 D673 C674I616-I671 HydrophobicContact CG2-CD1 3.66Å; I616-I671 HydrophobicContact CG2-CG1 3.63Å; K617-I671 HydrophobicContact CB-CD1 4.15Å; I620-I671 HydrophobicContact CD1-CD1 4.12Å; I620-I671 HydrophobicContact CD1-CG2 4.2Å; A659-I671 HydrophobicContact CB-CG2 4.07Å; T669-I671 HydrophobicContact CG2-CB 3.94Å; T669-I671 HydrophobicContact CG2-CG1 4.47Å; T669-I671 PolarHBondContact O-N 2.84Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.49Å; T669-I671 PolarHBondContact OG1-N 2.68Å; I671-D673 PolarHBondContact O-N 3.47Å; I671-C674 PolarHBondContact O-N 2.88Å; I671-C674 PolarHBondContact O-SG 3Å
672K87.5Confident90.5Very high96 Ų9666.4 Ų66.442%0.41734%0.337SS..G310 helixtrans-62.2-29178.774.2-170.1176.2-174.40113.5I663 V667 T669 A670I663-K672 HydrophobicContact CD1-CB 3.86Å; I663-K672 HydrophobicContact CG1-CB 4.03Å; I663-K672 HydrophobicContact CG2-CB 4.31Å; V667-K672 PolarHBondContact O-NZ 2.7Å; T669-K672 WeakPolarHBondContact O-CG 3.48Å; A670-K672 PolarHBondContact O-N 2.94Å
673D89.6Confident90.8Very high129 Ų12968.3 Ų68.369%0.6935%0.347SS*.G310 helixtrans-105.611.6-176.3-58.7-48.7000111.7A670 I671A670-D673 PolarHBondContact O-N 3.38Å; I671-D673 PolarHBondContact O-N 3.47Å
674C90.4Very high91Very high18 Ų1868.8 Ų68.812%0.12235%0.351CS..  trans-74.9139-179.778.30000111.9I671 E676 L677 R678I671-C674 PolarHBondContact O-N 2.88Å; I671-C674 PolarHBondContact O-SG 3Å; C674-E676 PolarHBondContact O-N 2.62Å; C674-L677 PolarHBondContact O-N 3.07Å; C674-L677 WeakPolarHBondContact SG-CB 3.33Å; C674-L677 PolarHBondContact SG-N 2.91Å; C674-R678 PolarHBondContact O-N 3.1Å
675E93.3Very high91.3Very high92 Ų9266.8 Ų66.843%0.4335%0.348SS..Hα-helixtrans-63.2-34.4-177.9177.561.4-17400111.6L677 R678 I679E675-L677 VanDerWaalsContact C-N 3.33Å; E675-L677 PolarHBondContact O-N 3.43Å; E675-R678 PolarHBondContact O-N 3.48Å; E675-R678 IonicContact OE1-CZ 2.69Å; E675-R678 IonicContact OE1-NE 2.8Å; E675-R678 IonicContact OE1-NH2 3.23Å; E675-R678 PolarHBondContact OE1-NH2 2.96Å; E675-R678 IonicContact OE2-CZ 2.89Å; E675-R678 IonicContact OE2-NE 3.47Å; E675-R678 PolarHBondContact OE2-NE 3.36Å; E675-R678 IonicContact OE2-NH2 3.32Å; E675-R678 PolarHBondContact OE2-NH2 2.85Å; E675-I679 HydrophobicContact CG-CD1 3.91Å; E675-I679 HydrophobicContact CG-CG1 4.47Å; E675-I679 VanDerWaalsContact O-CG1 3.26Å; E675-I679 WeakPolarHBondContact O-CG1 3.48Å; E675-I679 PolarHBondContact O-N 3.26Å
676E93.6Very high91.7Very high48 Ų4864.8 Ų64.822%0.22435%0.348CS..Hα-helixtrans-60.5-41.2177.2-63.387.5169.800112.3V621 L624 C674 A680V621-E676 HydrophobicContact CG2-CG 4.09Å; L624-E676 HydrophobicContact CD2-CB 3.76Å; L624-E676 HydrophobicContact CD2-CG 3.53Å; C674-E676 PolarHBondContact O-N 2.62Å; E676-A680 WeakPolarHBondContact O-CB 3.41Å; E676-A680 PolarHBondContact O-N 3.1Å
677L93.8Very high92Very high5 Ų562.5 Ų62.53%0.02634%0.335CS..Hα-helixtrans-68.9-43176.7178.559000111.3L655 V656 A659 I663 C674 E675 I679 A680 K681L655-L677 HydrophobicContact CD2-CD1 3.99Å; V656-L677 HydrophobicContact CG2-CD1 4.22Å; A659-L677 HydrophobicContact CB-CD1 3.62Å; A659-L677 HydrophobicContact CB-CD2 3.96Å; A659-L677 HydrophobicContact CB-CG 4.29Å; I663-L677 HydrophobicContact CD1-CD2 3.75Å; C674-L677 PolarHBondContact O-N 3.07Å; C674-L677 WeakPolarHBondContact SG-CB 3.33Å; C674-L677 PolarHBondContact SG-N 2.91Å; E675-L677 VanDerWaalsContact C-N 3.33Å; E675-L677 PolarHBondContact O-N 3.43Å; L677-I679 VanDerWaalsContact C-N 3.35Å; L677-I679 PolarHBondContact O-N 3.46Å; L677-A680 PolarHBondContact O-N 3.38Å; L677-K681 HydrophobicContact CD1-CD 4.42Å; L677-K681 HydrophobicContact CD1-CG 4.29Å; L677-K681 HydrophobicContact CG-CD 4.4Å; L677-K681 WeakPolarHBondContact O-CG 3.44Å; L677-K681 PolarHBondContact O-N 2.73Å
678R94.8Very high92.4Very high114 Ų11459.7 Ų59.743%0.4332%0.32SS..Hα-helixtrans-56.5-50.5176.3-170.7-170.569.275.5-1.1110.8C674 E675 A680 K681 E682C674-R678 PolarHBondContact O-N 3.1Å; E675-R678 PolarHBondContact O-N 3.48Å; E675-R678 IonicContact OE1-CZ 2.69Å; E675-R678 IonicContact OE1-NE 2.8Å; E675-R678 IonicContact OE1-NH2 3.23Å; E675-R678 PolarHBondContact OE1-NH2 2.96Å; E675-R678 IonicContact OE2-CZ 2.89Å; E675-R678 IonicContact OE2-NE 3.47Å; E675-R678 PolarHBondContact OE2-NE 3.36Å; E675-R678 IonicContact OE2-NH2 3.32Å; E675-R678 PolarHBondContact OE2-NH2 2.85Å; R678-A680 VanDerWaalsContact C-N 3.34Å; R678-A680 PolarHBondContact O-N 3.07Å; R678-K681 PolarHBondContact O-N 2.97Å; R678-E682 IonicContact CZ-OE1 3.49Å; R678-E682 IonicContact NH1-OE1 2.66Å; R678-E682 PolarHBondContact NH1-OE1 3.08Å; R678-E682 IonicContact NH1-OE2 3.38Å; R678-E682 PolarHBondContact NH1-OE2 2.92Å; R678-E682 VanDerWaalsContact NH1-OE2 3.11Å; R678-E682 PolarHBondContact O-N 3.48Å; R678-E682 VanDerWaalsContact O-N 3.16Å
679I94.6Very high92.7Very high32 Ų3259.1 Ų59.116%0.16431%0.312CS..Hα-helixtrans-59.9-44.7177.4-66.9169.4000110.7L624 E675 L677 K681 E682 M683L624-I679 HydrophobicContact CD1-CG2 4.16Å; E675-I679 HydrophobicContact CG-CD1 3.91Å; E675-I679 HydrophobicContact CG-CG1 4.47Å; E675-I679 VanDerWaalsContact O-CG1 3.26Å; E675-I679 WeakPolarHBondContact O-CG1 3.48Å; E675-I679 PolarHBondContact O-N 3.26Å; L677-I679 VanDerWaalsContact C-N 3.35Å; L677-I679 PolarHBondContact O-N 3.46Å; I679-K681 PolarHBondContact O-N 3.29Å; I679-E682 PolarHBondContact O-N 2.88Å; I679-M683 HydrophobicContact CG2-CG 4.22Å; I679-M683 VanDerWaalsContact O-CG 3.26Å; I679-M683 WeakPolarHBondContact O-CG 3.12Å; I679-M683 PolarHBondContact O-N 3.18Å
680A95.4Very high92.9Very high0 Ų062.3 Ų62.30%033%0.325CS..Hα-helixtrans-62-43.7-179.400000112.3Y652 L655 V656 E676 L677 R678 E682 M683 V684Y652-A680 HydrophobicContact CD1-CB 3.97Å; L655-A680 HydrophobicContact CB-CB 4.4Å; L655-A680 HydrophobicContact CD1-CB 3.87Å; L655-A680 HydrophobicContact CD2-CB 3.58Å; L655-A680 HydrophobicContact CG-CB 4.16Å; V656-A680 HydrophobicContact CG2-CB 3.89Å; E676-A680 WeakPolarHBondContact O-CB 3.41Å; E676-A680 PolarHBondContact O-N 3.1Å; L677-A680 PolarHBondContact O-N 3.38Å; R678-A680 VanDerWaalsContact C-N 3.34Å; R678-A680 PolarHBondContact O-N 3.07Å; A680-E682 VanDerWaalsContact C-N 3.34Å; A680-E682 PolarHBondContact O-N 3.24Å; A680-M683 PolarHBondContact O-N 2.95Å; A680-V684 WeakPolarHBondContact O-CG2 3.48Å; A680-V684 PolarHBondContact O-N 2.66Å
681K95.8Very high93Very high90 Ų9059.6 Ų59.639%0.39130%0.3SS..Hα-helixtrans-59.4-43.5176.5-74.6-176.2171.8-167.10112.1V656 E660 L677 R678 I679 V684 V685V656-K681 HydrophobicContact CG1-CG 4.38Å; V656-K681 HydrophobicContact CG2-CG 3.92Å; E660-K681 WeakPolarHBondContact OE1-CE 3.38Å; E660-K681 IonicContact OE1-NZ 2.78Å; E660-K681 PolarHBondContact OE1-NZ 3.15Å; L677-K681 HydrophobicContact CD1-CD 4.42Å; L677-K681 HydrophobicContact CD1-CG 4.29Å; L677-K681 HydrophobicContact CG-CD 4.4Å; L677-K681 WeakPolarHBondContact O-CG 3.44Å; L677-K681 PolarHBondContact O-N 2.73Å; R678-K681 PolarHBondContact O-N 2.97Å; I679-K681 PolarHBondContact O-N 3.29Å; K681-V684 PolarHBondContact O-N 3.28Å; K681-V685 PolarHBondContact O-N 2.81Å
682E95.8Very high93.1Very high93 Ų9362.2 Ų62.244%0.43532%0.317SS..Hα-helixtrans-62.5-44.6175.1-71.2173.8-174.900111.6R678 I679 A680 V684 V685 L686R678-E682 IonicContact CZ-OE1 3.49Å; R678-E682 IonicContact NH1-OE1 2.66Å; R678-E682 PolarHBondContact NH1-OE1 3.08Å; R678-E682 IonicContact NH1-OE2 3.38Å; R678-E682 PolarHBondContact NH1-OE2 2.92Å; R678-E682 VanDerWaalsContact NH1-OE2 3.11Å; R678-E682 PolarHBondContact O-N 3.48Å; R678-E682 VanDerWaalsContact O-N 3.16Å; I679-E682 PolarHBondContact O-N 2.88Å; A680-E682 VanDerWaalsContact C-N 3.34Å; A680-E682 PolarHBondContact O-N 3.24Å; E682-V684 PolarHBondContact O-N 3.22Å; E682-V685 PolarHBondContact O-N 2.9Å; E682-V685 VanDerWaalsContact O-N 3.16Å; E682-L686 WeakPolarHBondContact O-CG 3.18Å; E682-L686 PolarHBondContact O-N 3.49Å
683M95Very high93.3Very high51 Ų5162.8 Ų62.825%0.25132%0.316SS..Hα-helixtrans-67.8-33.5-179.4-67.1-58.8-64.500113.2Y652 I679 A680 V685 L686 I687Y652-M683 HydrophobicContact CD1-CB 3.89Å; Y652-M683 HydrophobicContact CD1-CG 4.41Å; Y652-M683 HydrophobicContact CD2-CB 3.92Å; Y652-M683 HydrophobicContact CE1-CB 3.81Å; Y652-M683 HydrophobicContact CE1-CG 3.84Å; Y652-M683 HydrophobicContact CE2-CB 3.89Å; Y652-M683 HydrophobicContact CE2-CE 4.15Å; Y652-M683 HydrophobicContact CE2-CG 4.22Å; Y652-M683 HydrophobicContact CG-CB 3.94Å; I679-M683 HydrophobicContact CG2-CG 4.22Å; I679-M683 VanDerWaalsContact O-CG 3.26Å; I679-M683 WeakPolarHBondContact O-CG 3.12Å; I679-M683 PolarHBondContact O-N 3.18Å; A680-M683 PolarHBondContact O-N 2.95Å; M683-V685 PolarHBondContact O-N 2.82Å; M683-L686 PolarHBondContact O-N 2.77Å; M683-I687 HydrophobicContact CB-CD1 4.14Å; M683-I687 HydrophobicContact CE-CD1 3.78Å; M683-I687 HydrophobicContact CE-CG1 3.74Å; M683-I687 WeakPolarHBondContact O-CB 3.14Å; M683-I687 VanDerWaalsContact O-CG1 3.29Å; M683-I687 WeakPolarHBondContact O-CG1 3.48Å; M683-I687 PolarHBondContact O-N 2.93Å
684V95.2Very high93.2Very high42 Ų4257 Ų5726%0.25529%0.285SS..Hα-helixtrans-61.2-30.7173.7170.60000111.4L649 V653 V656 A680 K681 E682 P688L649-V684 HydrophobicContact CD1-CG2 4.48Å; V653-V684 HydrophobicContact CG2-CG1 4.14Å; V653-V684 HydrophobicContact CG2-CG2 3.9Å; V656-V684 HydrophobicContact CG2-CG2 4.19Å; A680-V684 WeakPolarHBondContact O-CG2 3.48Å; A680-V684 PolarHBondContact O-N 2.66Å; K681-V684 PolarHBondContact O-N 3.28Å; E682-V684 PolarHBondContact O-N 3.22Å; V684-P688 WeakPolarHBondContact O-CD 3.43Å; V684-P688 WeakPolarHBondContact O-CG 3.48Å
685V95Very high93Very high103 Ų10360.1 Ų60.162%0.62431%0.307SS*.Hα-helixtrans-81.7-40.9175.4179.10000111.6K681 E682 M683K681-V685 PolarHBondContact O-N 2.81Å; E682-V685 PolarHBondContact O-N 2.9Å; E682-V685 VanDerWaalsContact O-N 3.16Å; M683-V685 PolarHBondContact O-N 2.82Å
686L94.3Very high92.8Very high102 Ų10264.7 Ų64.753%0.53432%0.32SS..Hα-helixtrans-79.7-38.7-172-67.1173.4000114.3E682 M683 V689 K690E682-L686 WeakPolarHBondContact O-CG 3.18Å; E682-L686 PolarHBondContact O-N 3.49Å; M683-L686 PolarHBondContact O-N 2.77Å; L686-V689 WeakPolarHBondContact O-CB 3.38Å; L686-V689 PolarHBondContact O-N 3.12Å; L686-K690 PolarHBondContact O-N 2.55Å; L686-K690 VanDerWaalsContact O-N 3.12Å
687I92.2Very high92.1Very high4 Ų465 Ų652%0.02134%0.337CS..Hα-helixtrans-64.1-43.6-175.9-65.5169.4000112.6L645 L649 Y652 M683 V689 K690 L691L645-I687 HydrophobicContact CB-CG2 4.36Å; L649-I687 HydrophobicContact CB-CG2 3.94Å; L649-I687 HydrophobicContact CD1-CB 4.31Å; Y652-I687 HydrophobicContact CD2-CD1 3.31Å; Y652-I687 HydrophobicContact CE2-CD1 3.4Å; Y652-I687 VanDerWaalsContact CE2-CD1 3.4Å; Y652-I687 HydrophobicContact CG-CD1 4.46Å; M683-I687 HydrophobicContact CB-CD1 4.14Å; M683-I687 HydrophobicContact CE-CD1 3.78Å; M683-I687 HydrophobicContact CE-CG1 3.74Å; M683-I687 WeakPolarHBondContact O-CB 3.14Å; M683-I687 VanDerWaalsContact O-CG1 3.29Å; M683-I687 WeakPolarHBondContact O-CG1 3.48Å; M683-I687 PolarHBondContact O-N 2.93Å; I687-V689 PolarHBondContact O-N 3.37Å; I687-K690 CarbonylContact O-C 3.53Å; I687-K690 WeakPolarHBondContact O-CA 3.29Å; I687-K690 WeakPolarHBondContact O-CB 3.43Å; I687-K690 PolarHBondContact O-N 3.34Å; I687-L691 HydrophobicContact CG2-CD1 3.86Å; I687-L691 HydrophobicContact CG2-CG 4.06Å; I687-L691 WeakPolarHBondContact O-CG 3.21Å; I687-L691 PolarHBondContact O-N 3.19Å
688P94Very high91.5Very high48 Ų4868 Ų6831%0.31235%0.351SS..Hα-helixtrans-57.1-37.1176-27.135.9000113.3L649 V684 L691 T692L649-P688 HydrophobicContact CD1-CG 4.19Å; L649-P688 HydrophobicContact CD2-CG 3.91Å; V684-P688 WeakPolarHBondContact O-CD 3.43Å; V684-P688 WeakPolarHBondContact O-CG 3.48Å; P688-L691 PolarHBondContact O-N 3.06Å; P688-T692 WeakPolarHBondContact O-CB 3.23Å; P688-T692 PolarHBondContact O-N 3.37Å; P688-T692 PolarHBondContact O-OG1 2.57Å
689V92.5Very high90.4Very high84 Ų8470.7 Ų70.751%0.50937%0.372SS..Hα-helixtrans-63.8-46.2174-179.30000110.2L686 I687 L691 T692 R693L686-V689 WeakPolarHBondContact O-CB 3.38Å; L686-V689 PolarHBondContact O-N 3.12Å; I687-V689 PolarHBondContact O-N 3.37Å; V689-L691 PolarHBondContact O-N 2.97Å; V689-T692 PolarHBondContact O-N 2.94Å; V689-R693 WeakPolarHBondContact O-CG 3.21Å; V689-R693 PolarHBondContact O-N 3.43Å; V689-R693 VanDerWaalsContact O-N 3.12Å
690K90.4Very high89.2Confident68 Ų6870 Ų7030%0.29637%0.368SS..Hα-helixtrans-61.2-42.9176.8-165.4171.6-175.4170.30112.1L645 L686 I687 R693 L694 L700L645-K690 HydrophobicContact CD1-CD 4.11Å; L645-K690 HydrophobicContact CD1-CG 4.24Å; L686-K690 PolarHBondContact O-N 2.55Å; L686-K690 VanDerWaalsContact O-N 3.12Å; I687-K690 CarbonylContact O-C 3.53Å; I687-K690 WeakPolarHBondContact O-CA 3.29Å; I687-K690 WeakPolarHBondContact O-CB 3.43Å; I687-K690 PolarHBondContact O-N 3.34Å; K690-R693 PolarHBondContact O-N 3.26Å; K690-L694 HydrophobicContact CG-CD1 4.38Å; K690-L694 WeakPolarHBondContact O-CG 3.43Å; K690-L694 PolarHBondContact O-N 3.31Å; K690-L700 HydrophobicContact CD-CD1 4.39Å; K690-L700 HydrophobicContact CG-CD1 3.56Å
691L91.7Very high87.5Confident23 Ų2375.4 Ų75.412%0.1240%0.404CS..Hα-helixtrans-61.4-43.7176.6-76.8171.2000111.9I642 L645 L649 I687 P688 V689 R693 L694 S695I642-L691 HydrophobicContact CB-CD2 4.43Å; I642-L691 HydrophobicContact CG2-CD2 4.09Å; L645-L691 HydrophobicContact CB-CD2 3.6Å; L645-L691 HydrophobicContact CB-CG 4.2Å; L645-L691 HydrophobicContact CD1-CD2 4.45Å; L649-L691 HydrophobicContact CD2-CD1 4.17Å; I687-L691 HydrophobicContact CG2-CD1 3.86Å; I687-L691 HydrophobicContact CG2-CG 4.06Å; I687-L691 WeakPolarHBondContact O-CG 3.21Å; I687-L691 PolarHBondContact O-N 3.19Å; P688-L691 PolarHBondContact O-N 3.06Å; V689-L691 PolarHBondContact O-N 2.97Å; L691-R693 VanDerWaalsContact C-N 3.3Å; L691-R693 PolarHBondContact O-N 3.16Å; L691-L694 PolarHBondContact O-N 2.92Å; L691-S695 WeakPolarHBondContact O-CB 3.35Å; L691-S695 PolarHBondContact O-N 3.03Å; L691-S695 PolarHBondContact O-OG 3.08Å
692T91.1Very high85.4Confident65 Ų6580.1 Ų80.140%0.39943%0.433SS..Hα-helixtrans-63.8-35.2178.1-55.70000112.2P688 V689 S695 R696P688-T692 WeakPolarHBondContact O-CB 3.23Å; P688-T692 PolarHBondContact O-N 3.37Å; P688-T692 PolarHBondContact O-OG1 2.57Å; V689-T692 PolarHBondContact O-N 2.94Å; T692-S695 WeakPolarHBondContact CA-OG 3.29Å; T692-S695 PolarHBondContact O-OG 3.24Å; T692-R696 VanDerWaalsContact O-CG 3.3Å; T692-R696 WeakPolarHBondContact O-CG 3.16Å; T692-R696 PolarHBondContact O-N 2.98Å
693R90.1Very high84.9Confident108 Ų10879.5 Ų79.541%0.40843%0.433SS..Hα-helixtrans-72.5-42.9176.9-67.9176.168.9-169-1.3111.8V689 K690 L691 S695 R696 G697 E698 L700V689-R693 WeakPolarHBondContact O-CG 3.21Å; V689-R693 PolarHBondContact O-N 3.43Å; V689-R693 VanDerWaalsContact O-N 3.12Å; K690-R693 PolarHBondContact O-N 3.26Å; L691-R693 VanDerWaalsContact C-N 3.3Å; L691-R693 PolarHBondContact O-N 3.16Å; R693-S695 VanDerWaalsContact C-N 3.34Å; R693-S695 PolarHBondContact O-N 3.26Å; R693-R696 PolarHBondContact O-N 3.48Å; R693-G697 PolarHBondContact O-N 3.03Å; R693-E698 HydrophobicContact CB-CB 4.39Å; R693-E698 IonicContact CZ-OE2 3.86Å; R693-E698 VanDerWaalsContact CZ-OE2 3.3Å; R693-E698 IonicContact NE-OE2 2.73Å; R693-E698 PolarHBondContact NE-OE2 3.34Å; R693-E698 IonicContact NH2-OE2 2.74Å; R693-E698 PolarHBondContact NH2-OE2 3.18Å; R693-E698 WeakPolarHBondContact O-CB 3.35Å; R693-E698 PolarHBondContact O-N 3.06Å; R693-E698 VanDerWaalsContact O-N 3.15Å; R693-L700 HydrophobicContact CB-CD1 4.28Å; R693-L700 HydrophobicContact CB-CD2 4.43Å
694L87.9Confident84.4Confident7 Ų781 Ų814%0.03744%0.443CS..Hα-helixtrans-64.4-37.6175.8-71.3170.9000112.3T638 K641 I642 L645 K690 L691 R696 G697 L700T638-L694 HydrophobicContact CG2-CB 4.34Å; T638-L694 HydrophobicContact CG2-CD2 4.44Å; K641-L694 HydrophobicContact CD-CD1 4.23Å; K641-L694 HydrophobicContact CD-CD2 4.24Å; K641-L694 HydrophobicContact CG-CD1 4.08Å; I642-L694 HydrophobicContact CD1-CB 4.25Å; I642-L694 HydrophobicContact CG1-CB 3.91Å; L645-L694 HydrophobicContact CD1-CD1 3.44Å; L645-L694 VanDerWaalsContact CD1-CD1 3.44Å; K690-L694 HydrophobicContact CG-CD1 4.38Å; K690-L694 WeakPolarHBondContact O-CG 3.43Å; K690-L694 PolarHBondContact O-N 3.31Å; L691-L694 PolarHBondContact O-N 2.92Å; L694-R696 VanDerWaalsContact C-N 3.25Å; L694-R696 PolarHBondContact O-N 3.12Å; L694-G697 PolarHBondContact O-N 3.46Å; L694-L700 HydrophobicContact CD1-CD1 4.48Å; L694-L700 HydrophobicContact CD2-CB 4.45Å; L694-L700 HydrophobicContact CD2-CD1 3.86Å; L694-L700 HydrophobicContact CD2-CG 4.07Å; L694-L700 HydrophobicContact CG-CD1 3.8Å
695S86.7Confident83.8Confident84 Ų8483.2 Ų83.259%0.58745%0.453SS*.Hα-helixtrans-68.7-23.4176.865.50000113.3L691 T692 R693 G697L691-S695 WeakPolarHBondContact O-CB 3.35Å; L691-S695 PolarHBondContact O-N 3.03Å; L691-S695 PolarHBondContact O-OG 3.08Å; T692-S695 WeakPolarHBondContact CA-OG 3.29Å; T692-S695 PolarHBondContact O-OG 3.24Å; R693-S695 VanDerWaalsContact C-N 3.34Å; R693-S695 PolarHBondContact O-N 3.26Å; S695-G697 VanDerWaalsContact C-N 3.26Å
696R88.2Confident83.1Confident187 Ų18782 Ų8271%0.70644%0.443SS*.THydrogen-bonded Turntrans-79.3-3.9169.8-69.1171.7-175.9-178.30.7113.8T692 R693 L694T692-R696 VanDerWaalsContact O-CG 3.3Å; T692-R696 WeakPolarHBondContact O-CG 3.16Å; T692-R696 PolarHBondContact O-N 2.98Å; R693-R696 PolarHBondContact O-N 3.48Å; L694-R696 VanDerWaalsContact C-N 3.25Å; L694-R696 PolarHBondContact O-N 3.12Å
697G80.2Confident82.4Confident56 Ų5680.8 Ų80.858%0.57744%0.438SS*.THydrogen-bonded Turntrans83.514.5-178.400000114.7R693 L694 S695 I699R693-G697 PolarHBondContact O-N 3.03Å; L694-G697 PolarHBondContact O-N 3.46Å; S695-G697 VanDerWaalsContact C-N 3.26Å; G697-I699 PolarHBondContact O-N 2.82Å
698E81.3Confident81.8Confident67 Ų6785.9 Ų85.931%0.31347%0.465SS..  trans-67.5127.9175.6-65.4178.9-146.600111R693 L700R693-E698 HydrophobicContact CB-CB 4.39Å; R693-E698 IonicContact CZ-OE2 3.86Å; R693-E698 VanDerWaalsContact CZ-OE2 3.3Å; R693-E698 IonicContact NE-OE2 2.73Å; R693-E698 PolarHBondContact NE-OE2 3.34Å; R693-E698 IonicContact NH2-OE2 2.74Å; R693-E698 PolarHBondContact NH2-OE2 3.18Å; R693-E698 WeakPolarHBondContact O-CB 3.35Å; R693-E698 PolarHBondContact O-N 3.06Å; R693-E698 VanDerWaalsContact O-N 3.15Å; E698-L700 HydrophobicContact CB-CD2 4.38Å; E698-L700 PolarHBondContact O-N 3.2Å
699I71.2Confident80.9Confident170 Ų17088.6 Ų88.687%0.87248%0.476SS*.  trans-77.4103.7171.2-55.4176.4000107.6G697G697-I699 PolarHBondContact O-N 2.82Å
700L69Low80Confident17 Ų1788.9 Ų88.99%0.08947%0.474CS..  trans-89.7134.7174.7-58.7179.6000109.7K690 R693 L694 E698K690-L700 HydrophobicContact CD-CD1 4.39Å; K690-L700 HydrophobicContact CG-CD1 3.56Å; R693-L700 HydrophobicContact CB-CD1 4.28Å; R693-L700 HydrophobicContact CB-CD2 4.43Å; L694-L700 HydrophobicContact CD1-CD1 4.48Å; L694-L700 HydrophobicContact CD2-CB 4.45Å; L694-L700 HydrophobicContact CD2-CD1 3.86Å; L694-L700 HydrophobicContact CD2-CG 4.07Å; L694-L700 HydrophobicContact CG-CD1 3.8Å; E698-L700 HydrophobicContact CB-CD2 4.38Å; E698-L700 PolarHBondContact O-N 3.2Å
701P59.9Low79.1Confident115 Ų11590.7 Ų90.775%0.74749%0.489SS*.  trans-56.3142.7166.924.9-31.2000109.2
702D52.7Low78Confident189 Ų18996.8 Ų96.8100%1.01152%0.522SS*.  trans-61.40-178-82.6-24.7000112.9K641K641-D702 IonicContact NZ-OD1 2.71Å; K641-D702 PolarHBondContact NZ-OD1 2.94Å

Retrieved 702 of 702 residues in 382.2 ms (Link to these results)

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