A0A087XCX0_POEFO Loading...

Metaxin

Involved in transport of proteins into the mitochondrion. Essential for embryonic development.

AlphaFold DB , UniProt , Accession A0A087XCX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M42.1Very low70Confident245 Ų24555.3 Ų55.3100%1.20732%0.321SS*.  0116.50-75.2168.1134.900106.3
2A48.1Very low70.8Confident85 Ų8553.3 Ų53.370%0.70232%0.322SS*.PPolyproline II helixtrans-61.5144.8172.100000108.1
3A58.9Low71.4Confident57 Ų5754.1 Ų54.147%0.47132%0.323SS..PPolyproline II helixtrans-54.9155.1169.100000109.1N60A3-N60 VanDerWaalsContact C-OD1 3.24Å; A3-N60 PolarHBondContact O-ND2 3.31Å; A3-N60 PolarHBondContact O-OD1 3.49Å
4P68.8Low72Confident42 Ų4254.6 Ų54.627%0.27332%0.316SS..PPolyproline II helixtrans-76.7151.416630.9-32.3000110.1L38 N60P4-L38 HydrophobicContact CB-CG 4.47Å; P4-L38 HydrophobicContact CG-CD1 3.52Å; P4-L38 HydrophobicContact CG-CG 3.89Å; P4-N60 PolarHBondContact O-OD1 2.84Å
5D73.7Confident72.4Confident23 Ų2353.8 Ų53.812%0.12333%0.325CS..PPolyproline II helixtrans-63.7141.5175.3-59-44.1000108.9I37 L57 R58 T59 N60D5-I37 HydrophobicContact CB-CD1 4.41Å; D5-I37 HydrophobicContact CB-CG1 4.15Å; D5-I37 WeakPolarHBondContact O-CG2 3.48Å; D5-L57 HydrophobicContact CB-CD1 4.2Å; D5-R58 WeakPolarHBondContact CA-O 3.31Å; D5-T59 VanDerWaalsContact OD1-CA 3.25Å; D5-T59 WeakPolarHBondContact OD1-CA 3.32Å; D5-N60 PolarHBondContact N-OD1 2.91Å; D5-N60 PolarHBondContact OD1-N 3.5Å; D5-N60 PolarHBondContact OD1-ND2 2.93Å; D5-N60 VanDerWaalsContact OD1-ND2 3.16Å; D5-N60 PolarHBondContact OD1-OD1 3.22Å
6E77.6Confident73Confident23 Ų2350.9 Ų50.911%0.10731%0.307CS..EExtended strand (participates in β ladder)trans-113.6128.7-174.9-56-177.4-157.800110.8F8 Y40 R58E6-F8 HydrophobicContact CB-CE2 4.35Å; E6-Y40 HydrophobicContact CB-CD2 4.25Å; E6-Y40 HydrophobicContact CB-CE2 3.93Å; E6-Y40 VanDerWaalsContact CD-CE2 3.46Å; E6-Y40 HydrophobicContact CG-CD2 4.49Å; E6-Y40 HydrophobicContact CG-CE2 3.69Å; E6-Y40 VanDerWaalsContact OE2-CE2 3.28Å; E6-Y40 WeakPolarHBondContact OE2-CE2 3.26Å; E6-R58 HydrophobicContact CB-CB 4.36Å; E6-R58 PolarHBondContact N-O 3.01Å; E6-R58 PolarHBondContact O-N 2.66Å; E6-R58 IonicContact OE1-CZ 2.85Å; E6-R58 IonicContact OE1-NE 2.78Å; E6-R58 IonicContact OE1-NH2 2.85Å; E6-R58 PolarHBondContact OE1-NH2 3.47Å; E6-R58 IonicContact OE2-CZ 2.78Å; E6-R58 IonicContact OE2-NE 3.6Å; E6-R58 PolarHBondContact OE2-NE 3.3Å; E6-R58 IonicContact OE2-NH2 3.68Å; E6-R58 PolarHBondContact OE2-NH2 3.42Å
7L79.2Confident73.5Confident5 Ų550.3 Ų50.33%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-105.5126.9178-17675.4000111.1C9 V26 L27 L30 I37 L57L7-C9 WeakPolarHBondContact CD2-SG 3.28Å; L7-C9 VanDerWaalsContact CG-SG 3.55Å; L7-V26 HydrophobicContact CD1-CG1 3.75Å; L7-V26 HydrophobicContact CD2-CG1 4.33Å; L7-L27 HydrophobicContact CD2-CD2 3.58Å; L7-L27 HydrophobicContact CD2-CG 4.23Å; L7-L30 HydrophobicContact CB-CD1 4.42Å; L7-L30 HydrophobicContact CD1-CD1 3.94Å; L7-L30 HydrophobicContact CD2-CD1 3.48Å; L7-L30 VanDerWaalsContact CD2-CD1 3.48Å; L7-L30 HydrophobicContact CG-CD1 4.14Å; L7-I37 HydrophobicContact CB-CG2 4.01Å; L7-L57 HydrophobicContact CB-CD1 4.35Å; L7-L57 HydrophobicContact CD1-CD1 4.18Å
8F80.4Confident74.1Confident12 Ų1247.5 Ų47.55%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-100.5118.2170-57.3-88.7000109.2E6 I43 L54 P55 A56 R58E6-F8 HydrophobicContact CB-CE2 4.35Å; F8-I43 HydrophobicContact CD1-CD1 3.96Å; F8-I43 HydrophobicContact CD1-CG2 4.34Å; F8-I43 HydrophobicContact CE1-CD1 3.81Å; F8-L54 HydrophobicContact CB-CD2 3.54Å; F8-L54 WeakPolarHBondContact O-CD2 3.36Å; F8-P55 WeakPolarHBondContact O-CA 3.23Å; F8-A56 HydrophobicContact CB-CB 4.37Å; F8-A56 HydrophobicContact CD2-CB 4.46Å; F8-A56 WeakPolarHBondContact CD2-O 3.45Å; F8-A56 PolarHBondContact N-O 2.7Å; F8-A56 PolarHBondContact O-N 2.86Å; F8-R58 HydrophobicContact CE2-CB 3.92Å
9C81.1Confident74.6Confident18 Ų1845.7 Ų45.712%0.12228%0.277CS..  trans-130.4160.2177.9-750000111.3L7 C23 L27L7-C9 WeakPolarHBondContact CD2-SG 3.28Å; L7-C9 VanDerWaalsContact CG-SG 3.55Å; C9-C23 HydrophobicContact CB-CB 4.26Å; C9-L27 HydrophobicContact CB-CD1 4.23Å
10W80.3Confident75.1Confident13 Ų1344.3 Ų44.35%0.04927%0.269CS..PPolyproline II helixtrans-63.5151166.7-72105.8000111.2S20 P46 L54 W127 Y128 M132 M144W10-S20 VanDerWaalsContact CD1-CB 3.43Å; W10-P46 HydrophobicContact CH2-CG 3.43Å; W10-P46 VanDerWaalsContact CH2-CG 3.43Å; W10-P46 HydrophobicContact CZ2-CG 3.51Å; W10-P46 HydrophobicContact CZ3-CG 4.47Å; W10-L54 HydrophobicContact CD2-CD1 3.84Å; W10-L54 HydrophobicContact CE3-CD1 4.25Å; W10-L54 HydrophobicContact CG-CD1 4.23Å; W10-L54 HydrophobicContact CH2-CD1 4.44Å; W10-L54 HydrophobicContact CZ2-CD1 4.05Å; W10-W127 HydrophobicContact CB-CH2 4.38Å; W10-W127 HydrophobicContact CE3-CH2 4.4Å; W10-W127 HydrophobicContact CE3-CZ3 4.27Å; W10-Y128 HydrophobicContact CD2-CE1 4.09Å; W10-Y128 HydrophobicContact CE3-CD1 4.39Å; W10-Y128 HydrophobicContact CE3-CE1 4.14Å; W10-Y128 HydrophobicContact CH2-CD1 4.03Å; W10-Y128 HydrophobicContact CH2-CE1 4.06Å; W10-Y128 HydrophobicContact CZ2-CD1 4.41Å; W10-Y128 HydrophobicContact CZ2-CE1 4Å; W10-Y128 HydrophobicContact CZ3-CD1 4.02Å; W10-Y128 HydrophobicContact CZ3-CE1 4.13Å; W10-M132 HydrophobicContact CH2-CE 3.73Å; W10-M132 HydrophobicContact CZ3-CE 4.15Å; W10-M144 HydrophobicContact CH2-CE 4.34Å; W10-M144 HydrophobicContact CH2-SD 4.46Å; W10-M144 HydrophobicContact CZ2-CE 3.72Å; W10-M144 HydrophobicContact CZ2-SD 4.33Å
11E80.3Confident75.6Confident85 Ų8543.5 Ų43.540%0.39726%0.264SS..PPolyproline II helixtrans-63.5150.1174.5-170.4163-174.600111.3V19 C44 W127 H131E11-V19 PolarHBondContact O-N 3.29Å; E11-C44 PolarHBondContact OE2-SG 2.9Å; E11-W127 HydrophobicContact CB-CZ2 4.45Å; E11-W127 WeakPolarHBondContact O-CH2 3.42Å; E11-W127 WeakPolarHBondContact O-CZ2 3.32Å; E11-H131 IonicContact OE2-CD2 3.63Å; E11-H131 PolarHBondContact OE2-CD2 3.41Å
12G79.4Confident77.6Confident32 Ų3234 Ų3433%0.3322%0.218SC..PPolyproline II helixtrans-85.4134.7177.100000111.8L16 P17G12-L16 CarbonylContact C-O 3.58Å; G12-L16 WeakPolarHBondContact CA-O 3.44Å; G12-P17 VanDerWaalsContact CA-C 3.43Å; G12-P17 WeakPolarHBondContact CA-O 3.35Å; G12-P17 PolarHBondContact N-O 3.02Å
13D78.8Confident79.3Confident63 Ų6330 Ų3034%0.33719%0.185SC..  trans-139.9170.2169.3-165.15.5000109.4G15 L16 V19 W127D13-G15 PolarHBondContact O-N 2.9Å; D13-L16 PolarHBondContact N-O 2.99Å; D13-L16 WeakPolarHBondContact O-CB 3.4Å; D13-L16 PolarHBondContact O-N 3.16Å; D13-V19 HydrophobicContact CB-CG2 3.88Å; D13-W127 HydrophobicContact CB-CZ2 4.32Å; D13-W127 PolarHBondContact OD2-NE1 3.4Å
14W79.4Confident80.5Confident61 Ų6127.2 Ų27.223%0.23116%0.162CC..THydrogen-bonded Turntrans63.122.1-179.8-42.6-38.1000114L16 V19 V123 W127 K213 C214W14-L16 VanDerWaalsContact C-N 3.28Å; W14-V19 HydrophobicContact CE3-CG2 4.14Å; W14-V19 HydrophobicContact CH2-CG1 3.61Å; W14-V19 HydrophobicContact CH2-CG2 4.12Å; W14-V19 HydrophobicContact CZ3-CB 4.27Å; W14-V19 HydrophobicContact CZ3-CG1 3.59Å; W14-V19 HydrophobicContact CZ3-CG2 3.9Å; W14-V123 HydrophobicContact CH2-CG1 4.17Å; W14-V123 HydrophobicContact CZ2-CG1 3.82Å; W14-W127 HydrophobicContact CZ2-CB 4.46Å; W14-W127 HydrophobicContact CZ2-CG 4.21Å; W14-K213 HydrophobicContact CB-CB 4.18Å; W14-C214 HydrophobicContact CD2-CB 4.2Å; W14-C214 HydrophobicContact CE3-CB 3.77Å; W14-C214 HydrophobicContact CZ3-CB 3.92Å
15G77.6Confident81.3Confident43 Ų4325.4 Ų25.444%0.44315%0.15SC..THydrogen-bonded Turntrans75.216.9-174.400000113.7D13D13-G15 PolarHBondContact O-N 2.9Å
16L83.1Confident81.7Confident8 Ų824.3 Ų24.34%0.04215%0.145CC..SBendtrans-101.3152.3169.9-60.7176.8000110.4G12 D13 W14 S18 L24 A209 P210 K213 L239G12-L16 CarbonylContact C-O 3.58Å; G12-L16 WeakPolarHBondContact CA-O 3.44Å; D13-L16 PolarHBondContact N-O 2.99Å; D13-L16 WeakPolarHBondContact O-CB 3.4Å; D13-L16 PolarHBondContact O-N 3.16Å; W14-L16 VanDerWaalsContact C-N 3.28Å; L16-S18 VanDerWaalsContact C-N 3.26Å; L16-S18 PolarHBondContact O-N 3.17Å; L16-L24 HydrophobicContact CB-CD2 4.47Å; L16-L24 HydrophobicContact CD1-CD1 4.28Å; L16-A209 HydrophobicContact CD1-CB 4.47Å; L16-A209 HydrophobicContact CD2-CB 3.83Å; L16-P210 HydrophobicContact CD1-CG 4.44Å; L16-K213 HydrophobicContact CD1-CB 4.12Å; L16-K213 HydrophobicContact CD1-CG 4.38Å; L16-K213 HydrophobicContact CD2-CB 4.31Å; L16-K213 HydrophobicContact CD2-CG 3.69Å; L16-K213 HydrophobicContact CG-CB 4.07Å; L16-K213 HydrophobicContact CG-CG 3.99Å; L16-L239 HydrophobicContact CD2-CD1 3.92Å; L16-L239 HydrophobicContact CD2-CD2 3.82Å; L16-L239 HydrophobicContact CD2-CG 4.46Å
17P81Confident81.9Confident40 Ų4023.7 Ų23.726%0.2614%0.142SC..SBendtrans-73-16.3176.628.9-34.3000113.7G12 L24 L27 F243G12-P17 VanDerWaalsContact CA-C 3.43Å; G12-P17 WeakPolarHBondContact CA-O 3.35Å; G12-P17 PolarHBondContact N-O 3.02Å; P17-L24 HydrophobicContact CG-CD2 3.58Å; P17-L27 HydrophobicContact CB-CD1 4.36Å; P17-F243 HydrophobicContact CB-CD1 3.8Å; P17-F243 HydrophobicContact CB-CE1 4.01Å; P17-F243 HydrophobicContact CB-CG 4.31Å; P17-F243 HydrophobicContact CG-CD1 3.65Å; P17-F243 HydrophobicContact CG-CD2 4.06Å; P17-F243 HydrophobicContact CG-CE1 3.71Å; P17-F243 HydrophobicContact CG-CE2 4.1Å; P17-F243 HydrophobicContact CG-CG 3.81Å; P17-F243 HydrophobicContact CG-CZ 3.91Å
18S83.5Confident82Confident0 Ų023.5 Ų23.50%014%0.141CC..  trans-156.7150.8173.3158.90000109.9L16 S20 C23 L24L16-S18 VanDerWaalsContact C-N 3.26Å; L16-S18 PolarHBondContact O-N 3.17Å; S18-S20 PolarHBondContact OG-N 3.49Å; S18-S20 PolarHBondContact OG-O 2.87Å; S18-C23 WeakPolarHBondContact OG-CB 3.43Å; S18-L24 WeakPolarHBondContact O-CD1 3.27Å; S18-L24 VanDerWaalsContact O-CD2 3.26Å; S18-L24 WeakPolarHBondContact O-CD2 3.47Å; S18-L24 WeakPolarHBondContact O-CG 3.37Å
19V83.8Confident82Confident14 Ų1423.2 Ų23.29%0.08514%0.14CC..SBendtrans-82.4-28.8174.9168.90000113.5E11 D13 W14 W127E11-V19 PolarHBondContact O-N 3.29Å; D13-V19 HydrophobicContact CB-CG2 3.88Å; W14-V19 HydrophobicContact CE3-CG2 4.14Å; W14-V19 HydrophobicContact CH2-CG1 3.61Å; W14-V19 HydrophobicContact CH2-CG2 4.12Å; W14-V19 HydrophobicContact CZ3-CB 4.27Å; W14-V19 HydrophobicContact CZ3-CG1 3.59Å; W14-V19 HydrophobicContact CZ3-CG2 3.9Å; V19-W127 HydrophobicContact CB-CD2 4.44Å; V19-W127 HydrophobicContact CB-CE3 4.29Å; V19-W127 HydrophobicContact CB-CH2 3.69Å; V19-W127 HydrophobicContact CB-CZ2 3.84Å; V19-W127 HydrophobicContact CB-CZ3 3.92Å; V19-W127 HydrophobicContact CG1-CD2 4.31Å; V19-W127 HydrophobicContact CG1-CE3 4.05Å; V19-W127 HydrophobicContact CG1-CH2 4.34Å; V19-W127 HydrophobicContact CG1-CZ3 4.07Å; V19-W127 HydrophobicContact CG2-CD2 4.06Å; V19-W127 VanDerWaalsContact CG2-CE2 3.48Å; V19-W127 HydrophobicContact CG2-CE3 4.4Å; V19-W127 HydrophobicContact CG2-CH2 3.74Å; V19-W127 HydrophobicContact CG2-CZ2 3.32Å; V19-W127 HydrophobicContact CG2-CZ3 4.25Å
20S84.4Confident81.7Confident17 Ų1722.6 Ų22.612%0.11914%0.135CC..SBendtrans-79.1133.7179.51700000111.9W10 S18 D22 C23 L24W10-S20 VanDerWaalsContact CD1-CB 3.43Å; S18-S20 PolarHBondContact OG-N 3.49Å; S18-S20 PolarHBondContact OG-O 2.87Å; S20-D22 PolarHBondContact O-N 3.29Å; S20-C23 PolarHBondContact O-N 2.97Å; S20-L24 WeakPolarHBondContact O-CG 3.28Å; S20-L24 PolarHBondContact O-N 2.86Å
21T85.8Confident81.4Confident27 Ų2723.9 Ų23.917%0.16615%0.145CC..Hα-helixtrans-53.6-52.2175.551.80000111.6C23 L24 V25 G206 P210T21-C23 VanDerWaalsContact C-N 3.31Å; T21-C23 PolarHBondContact O-N 3.29Å; T21-L24 WeakPolarHBondContact O-CB 3.34Å; T21-L24 PolarHBondContact O-N 3.28Å; T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 2.95Å; T21-G206 WeakPolarHBondContact CA-O 3.26Å; T21-G206 WeakPolarHBondContact CG2-O 3.1Å; T21-P210 HydrophobicContact CG2-CG 4.13Å
22D85.4Confident81Confident46 Ų4622.6 Ų22.625%0.24614%0.138CC..Hα-helixtrans-61.8-40.1-176.9-66.7-3.4000111.6S20 V26 P55 P68S20-D22 PolarHBondContact O-N 3.29Å; D22-V26 WeakPolarHBondContact O-CG2 2.89Å; D22-V26 PolarHBondContact O-N 3.38Å; D22-P55 HydrophobicContact CB-CG 4.2Å; D22-P68 HydrophobicContact CB-CG 3.65Å
23C83.1Confident80.3Confident0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-67.1-38.8175.2-69.10000111.8C9 S18 S20 T21 V26 L27 P55C9-C23 HydrophobicContact CB-CB 4.26Å; S18-C23 WeakPolarHBondContact OG-CB 3.43Å; S20-C23 PolarHBondContact O-N 2.97Å; T21-C23 VanDerWaalsContact C-N 3.31Å; T21-C23 PolarHBondContact O-N 3.29Å; C23-V26 PolarHBondContact O-N 3.26Å; C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.45Å; C23-L27 WeakPolarHBondContact O-CD1 3.17Å; C23-L27 WeakPolarHBondContact O-CG 3.44Å; C23-L27 PolarHBondContact O-N 3.48Å; C23-P55 VanDerWaalsContact SG-CD 3.58Å
24L83.6Confident79.5Confident0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-64.3-43.5177.6-74.8174.3000112.4L16 P17 S18 S20 T21 L27 F28 F205 P210L16-L24 HydrophobicContact CB-CD2 4.47Å; L16-L24 HydrophobicContact CD1-CD1 4.28Å; P17-L24 HydrophobicContact CG-CD2 3.58Å; S18-L24 WeakPolarHBondContact O-CD1 3.27Å; S18-L24 VanDerWaalsContact O-CD2 3.26Å; S18-L24 WeakPolarHBondContact O-CD2 3.47Å; S18-L24 WeakPolarHBondContact O-CG 3.37Å; S20-L24 WeakPolarHBondContact O-CG 3.28Å; S20-L24 PolarHBondContact O-N 2.86Å; T21-L24 WeakPolarHBondContact O-CB 3.34Å; T21-L24 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 2.78Å; L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 PolarHBondContact O-N 2.87Å; L24-F205 HydrophobicContact CD2-CE1 4.47Å; L24-P210 HydrophobicContact CD1-CG 3.6Å
25V85.2Confident78.3Confident3 Ų325.4 Ų25.42%0.01815%0.153CC..Hα-helixtrans-58-51.3176.4177.60000110T21 L27 F28 I29 A202 Y203T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 2.95Å; V25-L27 PolarHBondContact O-N 3.07Å; V25-F28 PolarHBondContact O-N 3.33Å; V25-I29 HydrophobicContact CG1-CD1 3.98Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.07Å; V25-I29 VanDerWaalsContact O-N 3.08Å; V25-A202 HydrophobicContact CG1-CB 4.23Å; V25-Y203 HydrophobicContact CG1-CD2 3.81Å; V25-Y203 HydrophobicContact CG1-CE2 3.85Å; V25-Y203 HydrophobicContact CG1-CG 4.17Å
26V82.7Confident77.1Confident1 Ų131.5 Ų31.51%0.00617%0.168CC..Hα-helixtrans-62.9-44.8179.7173.70000111L7 D22 C23 F28 I29 L30 P55 P68 I71L7-V26 HydrophobicContact CD1-CG1 3.75Å; L7-V26 HydrophobicContact CD2-CG1 4.33Å; D22-V26 WeakPolarHBondContact O-CG2 2.89Å; D22-V26 PolarHBondContact O-N 3.38Å; C23-V26 PolarHBondContact O-N 3.26Å; V26-F28 VanDerWaalsContact C-N 3.34Å; V26-F28 PolarHBondContact O-N 3.44Å; V26-I29 PolarHBondContact O-N 3.39Å; V26-L30 HydrophobicContact CG1-CD1 3.62Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 2.98Å; V26-P55 HydrophobicContact CG2-CG 4.1Å; V26-P68 HydrophobicContact CG2-CB 4.09Å; V26-I71 HydrophobicContact CG1-CG2 3.99Å; V26-I71 HydrophobicContact CG2-CD1 4.38Å; V26-I71 HydrophobicContact CG2-CG2 4.44Å
27L82.1Confident75.7Confident10 Ų1032.4 Ų32.45%0.05217%0.172CC..Hα-helixtrans-62.1-39.5178.5-78.4168.4000112.7L7 C9 P17 C23 L24 V25 T31 K39 F243L7-L27 HydrophobicContact CD2-CD2 3.58Å; L7-L27 HydrophobicContact CD2-CG 4.23Å; C9-L27 HydrophobicContact CB-CD1 4.23Å; P17-L27 HydrophobicContact CB-CD1 4.36Å; C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.45Å; C23-L27 WeakPolarHBondContact O-CD1 3.17Å; C23-L27 WeakPolarHBondContact O-CG 3.44Å; C23-L27 PolarHBondContact O-N 3.48Å; L24-L27 PolarHBondContact O-N 2.78Å; V25-L27 PolarHBondContact O-N 3.07Å; L27-T31 VanDerWaalsContact O-CB 3.24Å; L27-T31 WeakPolarHBondContact O-CB 3.23Å; L27-T31 PolarHBondContact O-N 3.11Å; L27-T31 PolarHBondContact O-OG1 3.2Å; L27-K39 HydrophobicContact CD2-CD 4.5Å; L27-F243 HydrophobicContact CB-CE1 4.34Å; L27-F243 HydrophobicContact CB-CZ 4.25Å
28F81.4Confident74.4Confident0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-64.2-51.7177178.1-84000110.4L24 V25 V26 L30 T31 K32 P197 D201 A202 F205 I238 Y242 F243L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 PolarHBondContact O-N 2.87Å; V25-F28 PolarHBondContact O-N 3.33Å; V26-F28 VanDerWaalsContact C-N 3.34Å; V26-F28 PolarHBondContact O-N 3.44Å; F28-L30 VanDerWaalsContact C-N 3.29Å; F28-L30 PolarHBondContact O-N 3.44Å; F28-T31 PolarHBondContact O-N 3.29Å; F28-K32 HydrophobicContact CD1-CG 4.01Å; F28-K32 HydrophobicContact CE1-CD 4.49Å; F28-K32 HydrophobicContact CE1-CG 3.75Å; F28-K32 HydrophobicContact CZ-CD 4.31Å; F28-K32 HydrophobicContact CZ-CG 4.03Å; F28-K32 WeakPolarHBondContact O-CB 3.36Å; F28-K32 VanDerWaalsContact O-CG 3.27Å; F28-K32 WeakPolarHBondContact O-CG 3.28Å; F28-K32 PolarHBondContact O-N 3.16Å; F28-P197 HydrophobicContact CE1-CB 4.06Å; F28-P197 HydrophobicContact CZ-CB 3.83Å; F28-D201 HydrophobicContact CZ-CB 4.45Å; F28-A202 HydrophobicContact CB-CB 4.37Å; F28-A202 HydrophobicContact CD1-CB 3.3Å; F28-A202 HydrophobicContact CE1-CB 3.82Å; F28-A202 HydrophobicContact CG-CB 4.13Å; F28-F205 HydrophobicContact CB-CD1 4.3Å; F28-F205 HydrophobicContact CD2-CD1 4.03Å; F28-F205 HydrophobicContact CD2-CE1 4.47Å; F28-F205 HydrophobicContact CG-CD1 4.42Å; F28-I238 HydrophobicContact CD2-CG2 3.6Å; F28-I238 HydrophobicContact CE2-CB 4.21Å; F28-I238 HydrophobicContact CE2-CD1 3.83Å; F28-I238 HydrophobicContact CE2-CG1 3.91Å; F28-I238 HydrophobicContact CE2-CG2 3.37Å; F28-I238 HydrophobicContact CZ-CD1 4.18Å; F28-I238 HydrophobicContact CZ-CG1 4.49Å; F28-Y242 HydrophobicContact CD2-CD2 4.13Å; F28-Y242 AromaticContact CE2-CD2 3.41Å; F28-Y242 HydrophobicContact CE2-CD2 3.41Å; F28-Y242 VanDerWaalsContact CE2-CD2 3.41Å; F28-Y242 AromaticContact CE2-CE2 3.69Å; F28-Y242 HydrophobicContact CE2-CE2 3.69Å; F28-Y242 HydrophobicContact CZ-CD2 4.02Å; F28-Y242 AromaticContact CZ-CE2 3.84Å; F28-Y242 HydrophobicContact CZ-CE2 3.84Å; F28-F243 HydrophobicContact CB-CE2 4.35Å; F28-F243 HydrophobicContact CB-CZ 4.25Å; F28-F243 HydrophobicContact CD2-CE2 4.15Å
29I80.1Confident73Confident6 Ų640 Ų403%0.03121%0.205CC..Hα-helixtrans-56.5-46.5178.4-67171.9000110V25 V26 K32 F33 I72 L75 A202V25-I29 HydrophobicContact CG1-CD1 3.98Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.07Å; V25-I29 VanDerWaalsContact O-N 3.08Å; V26-I29 PolarHBondContact O-N 3.39Å; I29-K32 PolarHBondContact O-N 3.07Å; I29-F33 HydrophobicContact CG2-CD2 3.97Å; I29-F33 WeakPolarHBondContact O-CB 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.45Å; I29-F33 PolarHBondContact O-N 2.83Å; I29-I72 HydrophobicContact CD1-CD1 3.9Å; I29-I72 HydrophobicContact CD1-CG1 3.88Å; I29-L75 HydrophobicContact CG2-CD1 4.03Å; I29-A202 HydrophobicContact CD1-CB 4.02Å; I29-A202 HydrophobicContact CG1-CB 3.56Å
30L75.3Confident71.6Confident5 Ų544.1 Ų44.13%0.02622%0.22CC..Hα-helixtrans-66.1-43.1-179.8-70178.7000112.7L7 V26 F28 K32 F33 T34 I37 L75L7-L30 HydrophobicContact CB-CD1 4.42Å; L7-L30 HydrophobicContact CD1-CD1 3.94Å; L7-L30 HydrophobicContact CD2-CD1 3.48Å; L7-L30 VanDerWaalsContact CD2-CD1 3.48Å; L7-L30 HydrophobicContact CG-CD1 4.14Å; V26-L30 HydrophobicContact CG1-CD1 3.62Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 2.98Å; F28-L30 VanDerWaalsContact C-N 3.29Å; F28-L30 PolarHBondContact O-N 3.44Å; L30-K32 PolarHBondContact O-N 3.46Å; L30-F33 PolarHBondContact O-N 3.44Å; L30-T34 CarbonylContact O-C 3Å; L30-T34 WeakPolarHBondContact O-CA 3.49Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3.47Å; L30-I37 HydrophobicContact CD1-CD1 4.28Å; L30-I37 HydrophobicContact CD2-CD1 3.48Å; L30-I37 VanDerWaalsContact CD2-CD1 3.48Å; L30-I37 HydrophobicContact CG-CD1 4.41Å; L30-L75 HydrophobicContact CD2-CD1 3.48Å; L30-L75 VanDerWaalsContact CD2-CD1 3.48Å; L30-L75 HydrophobicContact CD2-CD2 3.54Å; L30-L75 HydrophobicContact CD2-CG 4.14Å; L30-L75 HydrophobicContact CG-CD1 4.29Å
31T74.1Confident69.9Low41 Ų4149.1 Ų49.125%0.25225%0.252SS..Hα-helixtrans-67.1-25.6179.2-53.80000112.1L27 F28 K39 Y242 F243L27-T31 VanDerWaalsContact O-CB 3.24Å; L27-T31 WeakPolarHBondContact O-CB 3.23Å; L27-T31 PolarHBondContact O-N 3.11Å; L27-T31 PolarHBondContact O-OG1 3.2Å; F28-T31 PolarHBondContact O-N 3.29Å; T31-K39 PolarHBondContact OG1-NZ 3.14Å; T31-Y242 VanDerWaalsContact CG2-O 3.26Å; T31-Y242 WeakPolarHBondContact CG2-O 3.36Å; T31-F243 HydrophobicContact CG2-CE1 4.37Å; T31-F243 WeakPolarHBondContact OG1-CE1 3.46Å
32K70.9Confident68.3Low58 Ų5850.2 Ų50.225%0.25227%0.269SS..Hα-helixtrans-78.5-53.8173.6-70.9-63.784.5-140.80113.3F28 I29 L30 P197 Y242F28-K32 HydrophobicContact CD1-CG 4.01Å; F28-K32 HydrophobicContact CE1-CD 4.49Å; F28-K32 HydrophobicContact CE1-CG 3.75Å; F28-K32 HydrophobicContact CZ-CD 4.31Å; F28-K32 HydrophobicContact CZ-CG 4.03Å; F28-K32 WeakPolarHBondContact O-CB 3.36Å; F28-K32 VanDerWaalsContact O-CG 3.27Å; F28-K32 WeakPolarHBondContact O-CG 3.28Å; F28-K32 PolarHBondContact O-N 3.16Å; I29-K32 PolarHBondContact O-N 3.07Å; L30-K32 PolarHBondContact O-N 3.46Å; K32-P197 HydrophobicContact CD-CB 4.17Å; K32-P197 HydrophobicContact CD-CG 3.55Å; K32-P197 HydrophobicContact CG-CB 4.48Å; K32-P197 HydrophobicContact CG-CG 4.13Å; K32-Y242 HydrophobicContact CD-CD1 3.97Å; K32-Y242 HydrophobicContact CD-CD2 3.83Å; K32-Y242 HydrophobicContact CD-CE1 3.69Å; K32-Y242 HydrophobicContact CD-CE2 3.47Å; K32-Y242 VanDerWaalsContact CD-CE2 3.47Å; K32-Y242 HydrophobicContact CD-CG 4.02Å; K32-Y242 HydrophobicContact CG-CE2 4.5Å
33F65.5Low66.8Low51 Ų5149 Ų4922%0.22426%0.262CS..Hα-helixtrans-104.2-8.9-161.7-59.7-71.3000112.4I29 L30 F80 A82 P197I29-F33 HydrophobicContact CG2-CD2 3.97Å; I29-F33 WeakPolarHBondContact O-CB 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.45Å; I29-F33 PolarHBondContact O-N 2.83Å; L30-F33 PolarHBondContact O-N 3.44Å; F33-F80 HydrophobicContact CB-CB 4.4Å; F33-F80 WeakPolarHBondContact O-CD1 3.08Å; F33-F80 VanDerWaalsContact O-CE1 3.24Å; F33-F80 WeakPolarHBondContact O-CE1 3.46Å; F33-A82 HydrophobicContact CD2-CB 3.83Å; F33-A82 HydrophobicContact CE1-CB 4.36Å; F33-A82 HydrophobicContact CE2-CB 3.3Å; F33-A82 VanDerWaalsContact CZ-CA 3.48Å; F33-A82 HydrophobicContact CZ-CB 3.61Å; F33-P197 HydrophobicContact CZ-CG 4.43Å; F33-P197 WeakPolarHBondContact CZ-O 3.38Å
34T62.4Low65.5Low18 Ų1850.2 Ų50.211%0.1127%0.27CS..  trans-131.2116.5-178.1-45.90000112.2L30 F36 I37L30-T34 CarbonylContact O-C 3Å; L30-T34 WeakPolarHBondContact O-CA 3.49Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3.47Å; T34-F36 VanDerWaalsContact C-N 3.32Å; T34-I37 HydrophobicContact CG2-CB 4.36Å; T34-I37 HydrophobicContact CG2-CD1 3.6Å; T34-I37 HydrophobicContact CG2-CG1 3.67Å
35V53.8Low64.6Low145 Ų14551.3 Ų51.388%0.87928%0.278SS*.SBendtrans-83.3-10.4176.3179.40000112.1
36F51Low63.5Low172 Ų17251.6 Ų51.675%0.75428%0.28SS*.  trans-124.122.2-159.8-121.9-88000116.3T34T34-F36 VanDerWaalsContact C-N 3.32Å
37I55.4Low62.6Low26 Ų2659.4 Ų59.413%0.13331%0.309CS..  trans-104.2121.2175.1-73.2170.4000109.4D5 L7 L30 T34 K39D5-I37 HydrophobicContact CB-CD1 4.41Å; D5-I37 HydrophobicContact CB-CG1 4.15Å; D5-I37 WeakPolarHBondContact O-CG2 3.48Å; L7-I37 HydrophobicContact CB-CG2 4.01Å; L30-I37 HydrophobicContact CD1-CD1 4.28Å; L30-I37 HydrophobicContact CD2-CD1 3.48Å; L30-I37 VanDerWaalsContact CD2-CD1 3.48Å; L30-I37 HydrophobicContact CG-CD1 4.41Å; T34-I37 HydrophobicContact CG2-CB 4.36Å; T34-I37 HydrophobicContact CG2-CD1 3.6Å; T34-I37 HydrophobicContact CG2-CG1 3.67Å; I37-K39 PolarHBondContact O-N 3.04Å; I37-K39 VanDerWaalsContact O-N 3.13Å
38L52Low61.9Low99 Ų9967.2 Ų67.252%0.51834%0.338SS..EExtended strand (participates in β ladder)trans-70.5108.9173.6-71.9177.6000108.3P4 Y40P4-L38 HydrophobicContact CB-CG 4.47Å; P4-L38 HydrophobicContact CG-CD1 3.52Å; P4-L38 HydrophobicContact CG-CG 3.89Å; L38-Y40 PolarHBondContact O-N 3.18Å
39K55.8Low61.2Low102 Ų10267.5 Ų67.544%0.44334%0.34SS..EExtended strand (participates in β ladder)trans-66.7123.2164.2-66.1178.1179.9174.80106.7L27 T31 I37 P41L27-K39 HydrophobicContact CD2-CD 4.5Å; T31-K39 PolarHBondContact OG1-NZ 3.14Å; I37-K39 PolarHBondContact O-N 3.04Å; I37-K39 VanDerWaalsContact O-N 3.13Å; K39-P41 WeakPolarHBondContact O-CD 3.24Å
40Y53.7Low60.4Low100 Ų10070.7 Ų70.739%0.39236%0.361SS..  trans-84.2103.7165.9-83.6-89000108.5E6 L38 G42 I43E6-Y40 HydrophobicContact CB-CD2 4.25Å; E6-Y40 HydrophobicContact CB-CE2 3.93Å; E6-Y40 VanDerWaalsContact CD-CE2 3.46Å; E6-Y40 HydrophobicContact CG-CD2 4.49Å; E6-Y40 HydrophobicContact CG-CE2 3.69Å; E6-Y40 VanDerWaalsContact OE2-CE2 3.28Å; E6-Y40 WeakPolarHBondContact OE2-CE2 3.26Å; L38-Y40 PolarHBondContact O-N 3.18Å; Y40-G42 PolarHBondContact O-N 2.75Å; Y40-I43 HydrophobicContact CD1-CD1 4.23Å; Y40-I43 HydrophobicContact CG-CD1 4.16Å
41P48.6Very low59.8Low122 Ų12272.4 Ų72.479%0.79238%0.38SS*.THydrogen-bonded Turntrans-64.7124.9171.228.1-33.4000108.6K39K39-P41 WeakPolarHBondContact O-CD 3.24Å
42G52.3Low59.6Low50 Ų5072.7 Ų72.752%0.51539%0.391SS..THydrogen-bonded Turntrans91.729.9161.300000117.7Y40 C44Y40-G42 PolarHBondContact O-N 2.75Å; G42-C44 PolarHBondContact O-N 2.99Å
43I54Low59.7Low21 Ų2171 Ų7111%0.10839%0.386CS..  trans-93.691.1169.8-63.6173.7000110.8F8 Y40 S45 R48F8-I43 HydrophobicContact CD1-CD1 3.96Å; F8-I43 HydrophobicContact CD1-CG2 4.34Å; F8-I43 HydrophobicContact CE1-CD1 3.81Å; Y40-I43 HydrophobicContact CD1-CD1 4.23Å; Y40-I43 HydrophobicContact CG-CD1 4.16Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; I43-R48 HydrophobicContact CG2-CB 3.8Å; I43-R48 HydrophobicContact CG2-CG 4.09Å
44C55.5Low60.4Low25 Ų2569.3 Ų69.317%0.16938%0.38CS..  trans-86.434.7-173.3-113.10000114.9E11 G42 H131E11-C44 PolarHBondContact OE2-SG 2.9Å; G42-C44 PolarHBondContact O-N 2.99Å; C44-H131 VanDerWaalsContact CB-O 3.27Å; C44-H131 WeakPolarHBondContact CB-O 3.48Å
45S64.4Low61.4Low22 Ų2268.5 Ų68.515%0.15438%0.375CS..  trans-153.6119.6-179.7-74.80000113.1I43 W47 R48I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; S45-W47 PolarHBondContact O-N 2.95Å; S45-R48 PolarHBondContact O-N 3.27Å
46P62.1Low62.7Low9 Ų961.6 Ų61.66%0.05833%0.333CS..G310 helixtrans-52.5-27.1170.6-2836000113.4W10 R48 S49 G52 L54 L140W10-P46 HydrophobicContact CH2-CG 3.43Å; W10-P46 VanDerWaalsContact CH2-CG 3.43Å; W10-P46 HydrophobicContact CZ2-CG 3.51Å; W10-P46 HydrophobicContact CZ3-CG 4.47Å; P46-R48 VanDerWaalsContact C-N 3.27Å; P46-R48 PolarHBondContact O-N 3.04Å; P46-S49 WeakPolarHBondContact O-CB 3.25Å; P46-S49 PolarHBondContact O-N 3.46Å; P46-S49 PolarHBondContact O-OG 3.45Å; P46-G52 WeakPolarHBondContact CB-O 3.49Å; P46-G52 WeakPolarHBondContact O-CA 3.47Å; P46-L54 HydrophobicContact CG-CD1 4.22Å; P46-L140 HydrophobicContact CG-CD2 4.25Å
47W65.3Low64.1Low165 Ų16553.4 Ų53.463%0.62530%0.297SS*.G310 helixtrans-67.9-22.8177.3-49.993.5000114.6S45 S49 L136S45-W47 PolarHBondContact O-N 2.95Å; W47-S49 VanDerWaalsContact C-N 3.34Å; W47-L136 VanDerWaalsContact CD1-CD1 3.41Å; W47-L136 HydrophobicContact CD2-CD1 4.5Å; W47-L136 HydrophobicContact CG-CD1 4.17Å; W47-L136 HydrophobicContact CH2-CD2 4.44Å; W47-L136 HydrophobicContact CZ2-CD2 3.53Å; W47-L136 VanDerWaalsContact NE1-CD1 3.29Å
48R65.5Low65.4Low174 Ų17455.9 Ų55.966%0.65731%0.305SS*.G310 helixtrans-88.2-11.5173.9-158.1-176.8-107.1176.6-2.6110.9I43 S45 P46I43-R48 HydrophobicContact CG2-CB 3.8Å; I43-R48 HydrophobicContact CG2-CG 4.09Å; S45-R48 PolarHBondContact O-N 3.27Å; P46-R48 VanDerWaalsContact C-N 3.27Å; P46-R48 PolarHBondContact O-N 3.04Å
49S68.1Low66.6Low6 Ų651.6 Ų51.64%0.04228%0.282CS..SBendtrans-78.9138.5169.696.80000108.8P46 W47 G51 G52 S53P46-S49 WeakPolarHBondContact O-CB 3.25Å; P46-S49 PolarHBondContact O-N 3.46Å; P46-S49 PolarHBondContact O-OG 3.45Å; W47-S49 VanDerWaalsContact C-N 3.34Å; S49-G51 PolarHBondContact O-N 3.35Å; S49-G51 VanDerWaalsContact O-N 3.09Å; S49-G52 PolarHBondContact O-N 3.15Å; S49-G52 PolarHBondContact OG-N 2.79Å; S49-G52 VanDerWaalsContact OG-N 3.12Å; S49-S53 PolarHBondContact OG-N 3.41Å; S49-S53 PolarHBondContact OG-O 3.38Å
50P62.2Low67.5Low73 Ų7350.3 Ų50.347%0.47428%0.281SS..THydrogen-bonded Turntrans-66.1-16.1-176.2-12.723.8000113.4T64P50-T64 HydrophobicContact CB-CG2 3.73Å; P50-T64 VanDerWaalsContact CB-OG1 3.3Å; P50-T64 WeakPolarHBondContact CB-OG1 3.34Å; P50-T64 HydrophobicContact CG-CG2 3.81Å; P50-T64 WeakPolarHBondContact CG-OG1 3.41Å
51G63.9Low68.4Low42 Ų4252.8 Ų52.843%0.43330%0.296SS..THydrogen-bonded Turntrans-105.3-0.3179.800000115.5S49 S53S49-G51 PolarHBondContact O-N 3.35Å; S49-G51 VanDerWaalsContact O-N 3.09Å; G51-S53 PolarHBondContact O-N 3.16Å
52G70.1Confident69.4Low46 Ų4652.9 Ų52.947%0.47429%0.29SS..SBendtrans683.2-17800000115.1P46 S49P46-G52 WeakPolarHBondContact CB-O 3.49Å; P46-G52 WeakPolarHBondContact O-CA 3.47Å; S49-G52 PolarHBondContact O-N 3.15Å; S49-G52 PolarHBondContact OG-N 2.79Å; S49-G52 VanDerWaalsContact OG-N 3.12Å
53S73.2Confident70.7Confident22 Ų2255.2 Ų55.215%0.15429%0.287CS..SBendtrans-130.4157.117267.80000110.9S49 G51 S66S49-S53 PolarHBondContact OG-N 3.41Å; S49-S53 PolarHBondContact OG-O 3.38Å; G51-S53 PolarHBondContact O-N 3.16Å; S53-S66 WeakPolarHBondContact OG-CB 3.31Å
54L78.9Confident71.9Confident17 Ų1756.6 Ų56.69%0.08930%0.296CS..SBendtrans-125.7140.3177-65.9172.8000107.9F8 W10 P46F8-L54 HydrophobicContact CB-CD2 3.54Å; F8-L54 WeakPolarHBondContact O-CD2 3.36Å; W10-L54 HydrophobicContact CD2-CD1 3.84Å; W10-L54 HydrophobicContact CE3-CD1 4.25Å; W10-L54 HydrophobicContact CG-CD1 4.23Å; W10-L54 HydrophobicContact CH2-CD1 4.44Å; W10-L54 HydrophobicContact CZ2-CD1 4.05Å; P46-L54 HydrophobicContact CG-CD1 4.22Å
55P83.9Confident73.1Confident1 Ų157 Ų571%0.00630%0.297CS..SBendcis-73.1150.7429.9-33.6000113F8 D22 C23 V26 S66 P68 I71F8-P55 WeakPolarHBondContact O-CA 3.23Å; D22-P55 HydrophobicContact CB-CG 4.2Å; C23-P55 VanDerWaalsContact SG-CD 3.58Å; V26-P55 HydrophobicContact CG2-CG 4.1Å; P55-S66 CarbonylContact O-C 3.25Å; P55-P68 HydrophobicContact CG-CG 4.1Å; P55-I71 HydrophobicContact CB-CD1 4.42Å; P55-I71 HydrophobicContact CG-CD1 4.39Å
56A81.4Confident73.8Confident0 Ų057.9 Ų57.90%030%0.303CS..EExtended strand (participates in β ladder)trans-133.1133.2170.500000110.3F8 T64 L65F8-A56 HydrophobicContact CB-CB 4.37Å; F8-A56 HydrophobicContact CD2-CB 4.46Å; F8-A56 WeakPolarHBondContact CD2-O 3.45Å; F8-A56 PolarHBondContact N-O 2.7Å; F8-A56 PolarHBondContact O-N 2.86Å; A56-T64 HydrophobicContact CB-CG2 4.28Å; A56-L65 CarbonylContact C-O 3.49Å; A56-L65 VanDerWaalsContact CA-O 3.27Å; A56-L65 WeakPolarHBondContact CA-O 3.26Å
57L81Confident74.8Confident0 Ų065.2 Ų65.20%033%0.33CS..EExtended strand (participates in β ladder)trans-103.9125.4172.5-173.873.7000108.5D5 L7 T64 L65 I71D5-L57 HydrophobicContact CB-CD1 4.2Å; L7-L57 HydrophobicContact CB-CD1 4.35Å; L7-L57 HydrophobicContact CD1-CD1 4.18Å; L57-T64 WeakPolarHBondContact O-CA 3.38Å; L57-L65 HydrophobicContact CB-CB 4.45Å; L57-L65 PolarHBondContact N-O 3.13Å; L57-L65 PolarHBondContact O-N 2.9Å; L57-I71 HydrophobicContact CB-CD1 4.15Å; L57-I71 HydrophobicContact CB-CG1 3.92Å; L57-I71 HydrophobicContact CB-CG2 4.46Å; L57-I71 HydrophobicContact CD2-CG2 4.22Å
58R80.8Confident75.5Confident77 Ų7758.5 Ų58.529%0.29131%0.307SS..EExtended strand (participates in β ladder)trans-99112.3167.9179168.172.3-173.59.5108.3D5 E6 F8 E63D5-R58 WeakPolarHBondContact CA-O 3.31Å; E6-R58 HydrophobicContact CB-CB 4.36Å; E6-R58 PolarHBondContact N-O 3.01Å; E6-R58 PolarHBondContact O-N 2.66Å; E6-R58 IonicContact OE1-CZ 2.85Å; E6-R58 IonicContact OE1-NE 2.78Å; E6-R58 IonicContact OE1-NH2 2.85Å; E6-R58 PolarHBondContact OE1-NH2 3.47Å; E6-R58 IonicContact OE2-CZ 2.78Å; E6-R58 IonicContact OE2-NE 3.6Å; E6-R58 PolarHBondContact OE2-NE 3.3Å; E6-R58 IonicContact OE2-NH2 3.68Å; E6-R58 PolarHBondContact OE2-NH2 3.42Å; F8-R58 HydrophobicContact CE2-CB 3.92Å; R58-E63 WeakPolarHBondContact CA-O 3.47Å
59T78.3Confident76.2Confident9 Ų952.9 Ų52.96%0.05530%0.295CS..  trans-76.7158.6178-48.90000110.1D5 Q61 N62 E63D5-T59 VanDerWaalsContact OD1-CA 3.25Å; D5-T59 WeakPolarHBondContact OD1-CA 3.32Å; T59-Q61 PolarHBondContact O-N 2.88Å; T59-N62 WeakPolarHBondContact O-CA 3.29Å; T59-N62 PolarHBondContact O-N 3.33Å; T59-E63 PolarHBondContact N-O 3.37Å
60N73.8Confident77Confident76 Ų7655.2 Ų55.241%0.40631%0.307SS..THydrogen-bonded Turntrans-54.3-21.7174.7-56.8-27.3000115A3 P4 D5 N62A3-N60 VanDerWaalsContact C-OD1 3.24Å; A3-N60 PolarHBondContact O-ND2 3.31Å; A3-N60 PolarHBondContact O-OD1 3.49Å; P4-N60 PolarHBondContact O-OD1 2.84Å; D5-N60 PolarHBondContact N-OD1 2.91Å; D5-N60 PolarHBondContact OD1-N 3.5Å; D5-N60 PolarHBondContact OD1-ND2 2.93Å; D5-N60 VanDerWaalsContact OD1-ND2 3.16Å; D5-N60 PolarHBondContact OD1-OD1 3.22Å; N60-N62 VanDerWaalsContact C-N 3.27Å
61Q72.6Confident78Confident151 Ų15151.7 Ų51.771%0.70628%0.284SS*.THydrogen-bonded Turntrans-88.611.1175.8-63.5178.9-7.600112.9T59 E63T59-Q61 PolarHBondContact O-N 2.88Å; Q61-E63 HydrophobicContact CB-CG 4.38Å; Q61-E63 PolarHBondContact O-N 2.9Å
62N70.4Confident78.9Confident125 Ų12551 Ų5167%0.66827%0.27SS*.SBendtrans62.214.9-175.7-152.947.1000114.4T59 N60T59-N62 WeakPolarHBondContact O-CA 3.29Å; T59-N62 PolarHBondContact O-N 3.33Å; N60-N62 VanDerWaalsContact C-N 3.27Å
63E79.1Confident79.6Confident98 Ų9852.5 Ų52.546%0.45827%0.266SS..  trans-71.4138.8168-63.7-173.3159.300109.8R58 T59 Q61R58-E63 WeakPolarHBondContact CA-O 3.47Å; T59-E63 PolarHBondContact N-O 3.37Å; Q61-E63 HydrophobicContact CB-CG 4.38Å; Q61-E63 PolarHBondContact O-N 2.9Å
64T79.4Confident80Confident50 Ų5052.4 Ų52.431%0.30726%0.264SS..EExtended strand (participates in β ladder)trans-114.2119.9177.1-54.90000110.2P50 A56 L57P50-T64 HydrophobicContact CB-CG2 3.73Å; P50-T64 VanDerWaalsContact CB-OG1 3.3Å; P50-T64 WeakPolarHBondContact CB-OG1 3.34Å; P50-T64 HydrophobicContact CG-CG2 3.81Å; P50-T64 WeakPolarHBondContact CG-OG1 3.41Å; A56-T64 HydrophobicContact CB-CG2 4.28Å; L57-T64 WeakPolarHBondContact O-CA 3.38Å
65L81.7Confident80.1Confident33 Ų3351.9 Ų51.917%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-106.3121.3175.5-58.2176.1000109A56 L57 D70 I71 H74A56-L65 CarbonylContact C-O 3.49Å; A56-L65 VanDerWaalsContact CA-O 3.27Å; A56-L65 WeakPolarHBondContact CA-O 3.26Å; L57-L65 HydrophobicContact CB-CB 4.45Å; L57-L65 PolarHBondContact N-O 3.13Å; L57-L65 PolarHBondContact O-N 2.9Å; L65-D70 HydrophobicContact CD2-CB 4.4Å; L65-I71 HydrophobicContact CB-CG1 3.86Å; L65-H74 HydrophobicContact CD1-CB 3.39Å
66S78.6Confident80Confident42 Ų4257.5 Ų57.529%0.29428%0.282SS..  trans-111.9-9-172.461.80000114.5S53 P55S53-S66 WeakPolarHBondContact OG-CB 3.31Å; P55-S66 CarbonylContact O-C 3.25Å
67R81.9Confident80.1Confident163 Ų16365.2 Ų65.262%0.61532%0.315SS*.SBendtrans-101.2136.3176.3-63.6-179.5174.9158.9-3.4110.2S69 D70 I71R67-S69 VanDerWaalsContact C-N 3.27Å; R67-S69 PolarHBondContact O-N 3.3Å; R67-D70 HydrophobicContact CB-CB 4.2Å; R67-D70 WeakPolarHBondContact CB-OD2 3.38Å; R67-D70 WeakPolarHBondContact CD-OD2 3.25Å; R67-D70 PolarHBondContact O-N 3.12Å; R67-D70 VanDerWaalsContact O-N 3.1Å; R67-I71 WeakPolarHBondContact O-CG1 3.29Å; R67-I71 PolarHBondContact O-N 2.88Å
68P80.4Confident79.9Confident23 Ų2369.9 Ų69.915%0.14934%0.337CS..Hα-helixtrans-55-40.5176.3-27.635.7000113.3D22 V26 P55 D70 I71 I72D22-P68 HydrophobicContact CB-CG 3.65Å; V26-P68 HydrophobicContact CG2-CB 4.09Å; P55-P68 HydrophobicContact CG-CG 4.1Å; P68-D70 VanDerWaalsContact C-N 3.34Å; P68-D70 PolarHBondContact O-N 3.08Å; P68-I71 PolarHBondContact O-N 2.96Å; P68-I72 WeakPolarHBondContact O-CD1 3.44Å; P68-I72 VanDerWaalsContact O-CG1 3.23Å; P68-I72 WeakPolarHBondContact O-CG1 3.17Å; P68-I72 PolarHBondContact O-N 2.99Å
69S81.8Confident79.6Confident56 Ų5675.4 Ų75.439%0.39236%0.363SS..Hα-helixtrans-58-45.6176.155.50000112.4R67 I71 I72 I73R67-S69 VanDerWaalsContact C-N 3.27Å; R67-S69 PolarHBondContact O-N 3.3Å; S69-I71 VanDerWaalsContact C-N 3.34Å; S69-I72 PolarHBondContact O-N 3.06Å; S69-I73 WeakPolarHBondContact O-CD1 3.3Å; S69-I73 VanDerWaalsContact O-CG1 3.24Å; S69-I73 WeakPolarHBondContact O-CG1 3.27Å; S69-I73 PolarHBondContact O-N 2.6Å
70D84.7Confident79.4Confident55 Ų5579.3 Ų79.329%0.29438%0.379SS..Hα-helixtrans-70.2-37.2-176.6-58.7-11.2000110.3L65 R67 P68 I73 H74L65-D70 HydrophobicContact CD2-CB 4.4Å; R67-D70 HydrophobicContact CB-CB 4.2Å; R67-D70 WeakPolarHBondContact CB-OD2 3.38Å; R67-D70 WeakPolarHBondContact CD-OD2 3.25Å; R67-D70 PolarHBondContact O-N 3.12Å; R67-D70 VanDerWaalsContact O-N 3.1Å; P68-D70 VanDerWaalsContact C-N 3.34Å; P68-D70 PolarHBondContact O-N 3.08Å; D70-I73 PolarHBondContact O-N 3.37Å; D70-H74 WeakPolarHBondContact O-CB 3.42Å; D70-H74 PolarHBondContact O-N 3.42Å
71I82.9Confident79.4Confident0 Ų077.9 Ų77.90%037%0.372CS..Hα-helixtrans-61.5-48.4172.3-65.7168.2000110.1V26 P55 L57 L65 R67 P68 S69 I73 H74 L75V26-I71 HydrophobicContact CG1-CG2 3.99Å; V26-I71 HydrophobicContact CG2-CD1 4.38Å; V26-I71 HydrophobicContact CG2-CG2 4.44Å; P55-I71 HydrophobicContact CB-CD1 4.42Å; P55-I71 HydrophobicContact CG-CD1 4.39Å; L57-I71 HydrophobicContact CB-CD1 4.15Å; L57-I71 HydrophobicContact CB-CG1 3.92Å; L57-I71 HydrophobicContact CB-CG2 4.46Å; L57-I71 HydrophobicContact CD2-CG2 4.22Å; L65-I71 HydrophobicContact CB-CG1 3.86Å; R67-I71 WeakPolarHBondContact O-CG1 3.29Å; R67-I71 PolarHBondContact O-N 2.88Å; P68-I71 PolarHBondContact O-N 2.96Å; S69-I71 VanDerWaalsContact C-N 3.34Å; I71-I73 VanDerWaalsContact C-N 3.35Å; I71-I73 PolarHBondContact O-N 3.35Å; I71-H74 WeakPolarHBondContact O-CB 3.37Å; I71-H74 PolarHBondContact O-N 2.6Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.47Å; I71-L75 VanDerWaalsContact O-CG 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.34Å
72I81.9Confident79.4Confident26 Ų2671.3 Ų71.313%0.13334%0.344CS..Hα-helixtrans-62.5-42.3178.9-66.9163.3000111I29 P68 S69 H74 L75 R76 Y203I29-I72 HydrophobicContact CD1-CD1 3.9Å; I29-I72 HydrophobicContact CD1-CG1 3.88Å; P68-I72 WeakPolarHBondContact O-CD1 3.44Å; P68-I72 VanDerWaalsContact O-CG1 3.23Å; P68-I72 WeakPolarHBondContact O-CG1 3.17Å; P68-I72 PolarHBondContact O-N 2.99Å; S69-I72 PolarHBondContact O-N 3.06Å; I72-H74 VanDerWaalsContact C-N 3.32Å; I72-H74 PolarHBondContact O-N 3.19Å; I72-L75 PolarHBondContact O-N 3.44Å; I72-R76 WeakPolarHBondContact O-CB 3.46Å; I72-R76 PolarHBondContact O-N 3.16Å; I72-Y203 HydrophobicContact CD1-CE2 3.81Å; I72-Y203 WeakPolarHBondContact CD1-OH 3.34Å
73I84.5Confident79.8Confident79 Ų7966.8 Ų66.841%0.40532%0.319SS..Hα-helixtrans-62-41.9175.6-69.8163.8000110.7S69 D70 I71 R76 K77S69-I73 WeakPolarHBondContact O-CD1 3.3Å; S69-I73 VanDerWaalsContact O-CG1 3.24Å; S69-I73 WeakPolarHBondContact O-CG1 3.27Å; S69-I73 PolarHBondContact O-N 2.6Å; D70-I73 PolarHBondContact O-N 3.37Å; I71-I73 VanDerWaalsContact C-N 3.35Å; I71-I73 PolarHBondContact O-N 3.35Å; I73-R76 PolarHBondContact O-N 2.92Å; I73-K77 WeakPolarHBondContact O-CG 3.01Å; I73-K77 PolarHBondContact O-N 2.9Å
74H83.2Confident79.7Confident20 Ų2070.1 Ų70.19%0.09333%0.333CS..Hα-helixtrans-61.9-46.9175.9-175.589000111.6L65 D70 I71 I72 R76 K77 Q78L65-H74 HydrophobicContact CD1-CB 3.39Å; D70-H74 WeakPolarHBondContact O-CB 3.42Å; D70-H74 PolarHBondContact O-N 3.42Å; I71-H74 WeakPolarHBondContact O-CB 3.37Å; I71-H74 PolarHBondContact O-N 2.6Å; I72-H74 VanDerWaalsContact C-N 3.32Å; I72-H74 PolarHBondContact O-N 3.19Å; H74-R76 VanDerWaalsContact C-N 3.29Å; H74-R76 PolarHBondContact O-N 3.37Å; H74-K77 WeakPolarHBondContact O-CB 3.36Å; H74-K77 PolarHBondContact O-N 3.36Å; H74-Q78 PolarHBondContact NE2-NE2 3.37Å; H74-Q78 WeakPolarHBondContact O-CG 3.48Å; H74-Q78 PolarHBondContact O-N 3.31Å
75L80.3Confident79.7Confident5 Ų573.7 Ų73.73%0.02635%0.35CS..Hα-helixtrans-59.6-41.2176.9-67.4168.6000111.8I29 L30 I71 I72 K77 Q78 K79 F80I29-L75 HydrophobicContact CG2-CD1 4.03Å; L30-L75 HydrophobicContact CD2-CD1 3.48Å; L30-L75 VanDerWaalsContact CD2-CD1 3.48Å; L30-L75 HydrophobicContact CD2-CD2 3.54Å; L30-L75 HydrophobicContact CD2-CG 4.14Å; L30-L75 HydrophobicContact CG-CD1 4.29Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.47Å; I71-L75 VanDerWaalsContact O-CG 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.34Å; I72-L75 PolarHBondContact O-N 3.44Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.06Å; L75-Q78 CarbonylContact O-C 3.45Å; L75-Q78 WeakPolarHBondContact O-CA 3.47Å; L75-Q78 PolarHBondContact O-N 3.17Å; L75-Q78 VanDerWaalsContact O-N 3.07Å; L75-K79 PolarHBondContact O-N 2.92Å; L75-F80 CarbonylContact C-O 3.53Å; L75-F80 VanDerWaalsContact C-O 3.25Å; L75-F80 HydrophobicContact CB-CB 4.41Å; L75-F80 CarbonylContact O-C 3.49Å; L75-F80 PolarHBondContact O-N 3Å
76R81.2Confident79.8Confident120 Ų12073.7 Ų73.745%0.45335%0.35SS..Hα-helixtrans-60.5-39.9174.6-170-179.2-70159.9-2.9111.9I72 I73 H74 Q78 K79 F80 N81 D83I72-R76 WeakPolarHBondContact O-CB 3.46Å; I72-R76 PolarHBondContact O-N 3.16Å; I73-R76 PolarHBondContact O-N 2.92Å; H74-R76 VanDerWaalsContact C-N 3.29Å; H74-R76 PolarHBondContact O-N 3.37Å; R76-Q78 VanDerWaalsContact C-N 3.3Å; R76-Q78 PolarHBondContact O-N 2.92Å; R76-K79 PolarHBondContact O-N 3.36Å; R76-K79 VanDerWaalsContact O-N 3.16Å; R76-F80 PolarHBondContact N-O 3.48Å; R76-N81 HydrophobicContact CG-CB 4.29Å; R76-D83 IonicContact NH2-OD2 3.4Å
77K82.9Confident80.3Confident162 Ų16274.3 Ų74.370%0.70435%0.354SS*.Hα-helixtrans-64.1-34.2174.4-70.5174.5-179.6179.30112.4I73 H74 L75 K79I73-K77 WeakPolarHBondContact O-CG 3.01Å; I73-K77 PolarHBondContact O-N 2.9Å; H74-K77 WeakPolarHBondContact O-CB 3.36Å; H74-K77 PolarHBondContact O-N 3.36Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.06Å; K77-K79 PolarHBondContact O-N 3.46Å
78Q77.3Confident80.6Confident97 Ų9771.1 Ų71.145%0.45336%0.363SS..THydrogen-bonded Turntrans-78.112.7175.4-59.9-61.7-14.800113.6H74 L75 R76 F80H74-Q78 PolarHBondContact NE2-NE2 3.37Å; H74-Q78 WeakPolarHBondContact O-CG 3.48Å; H74-Q78 PolarHBondContact O-N 3.31Å; L75-Q78 CarbonylContact O-C 3.45Å; L75-Q78 WeakPolarHBondContact O-CA 3.47Å; L75-Q78 PolarHBondContact O-N 3.17Å; L75-Q78 VanDerWaalsContact O-N 3.07Å; R76-Q78 VanDerWaalsContact C-N 3.3Å; R76-Q78 PolarHBondContact O-N 2.92Å; Q78-F80 HydrophobicContact CB-CD2 3.83Å; Q78-F80 HydrophobicContact CB-CE2 4.23Å; Q78-F80 PolarHBondContact O-N 3.37Å
79K74.3Confident81.2Confident194 Ų19477.5 Ų77.584%0.84339%0.388SS*.THydrogen-bonded Turntrans68.19.5-176.4-51.2-177.3177.6-178.20115.2L75 R76 K77 N81L75-K79 PolarHBondContact O-N 2.92Å; R76-K79 PolarHBondContact O-N 3.36Å; R76-K79 VanDerWaalsContact O-N 3.16Å; K77-K79 PolarHBondContact O-N 3.46Å; K79-N81 PolarHBondContact O-N 3.09Å
80F74.3Confident81.6Confident90 Ų9077.6 Ų77.640%0.39538%0.382SS..  trans-90.885.1170.5-60.3-64.4000108.8F33 L75 R76 Q78F33-F80 HydrophobicContact CB-CB 4.4Å; F33-F80 WeakPolarHBondContact O-CD1 3.08Å; F33-F80 VanDerWaalsContact O-CE1 3.24Å; F33-F80 WeakPolarHBondContact O-CE1 3.46Å; L75-F80 CarbonylContact C-O 3.53Å; L75-F80 VanDerWaalsContact C-O 3.25Å; L75-F80 HydrophobicContact CB-CB 4.41Å; L75-F80 CarbonylContact O-C 3.49Å; L75-F80 PolarHBondContact O-N 3Å; R76-F80 PolarHBondContact N-O 3.48Å; Q78-F80 HydrophobicContact CB-CD2 3.83Å; Q78-F80 HydrophobicContact CB-CE2 4.23Å; Q78-F80 PolarHBondContact O-N 3.37Å
81N74.8Confident81.8Confident46 Ų4676.4 Ų76.425%0.24638%0.384CS..  trans-106.7118177.4-1709.6000110.3R76 K79 D83 F84R76-N81 HydrophobicContact CG-CB 4.29Å; K79-N81 PolarHBondContact O-N 3.09Å; N81-D83 PolarHBondContact O-N 2.57Å; N81-D83 PolarHBondContact OD1-N 2.8Å; N81-D83 VanDerWaalsContact OD1-N 3.11Å; N81-F84 HydrophobicContact CB-CB 4.33Å; N81-F84 PolarHBondContact O-N 3.48Å
82A71.6Confident82.2Confident14 Ų1479.3 Ų79.312%0.11641%0.407CS..THydrogen-bonded Turntrans-65.9-19.7174.900000112.9F33F33-A82 HydrophobicContact CD2-CB 3.83Å; F33-A82 HydrophobicContact CE1-CB 4.36Å; F33-A82 HydrophobicContact CE2-CB 3.3Å; F33-A82 VanDerWaalsContact CZ-CA 3.48Å; F33-A82 HydrophobicContact CZ-CB 3.61Å
83D79.4Confident82.7Confident30 Ų3080.7 Ų80.716%0.1642%0.415CS..THydrogen-bonded Turntrans-106.817.1-174.6-55-42.2000112.6R76 N81 D85 L86 S199R76-D83 IonicContact NH2-OD2 3.4Å; N81-D83 PolarHBondContact O-N 2.57Å; N81-D83 PolarHBondContact OD1-N 2.8Å; N81-D83 VanDerWaalsContact OD1-N 3.11Å; D83-D85 VanDerWaalsContact C-N 3.32Å; D83-D85 PolarHBondContact O-N 3.37Å; D83-L86 HydrophobicContact CB-CD1 3.8Å; D83-L86 HydrophobicContact CB-CG 4.31Å; D83-L86 PolarHBondContact O-N 3.06Å; D83-L86 WeakPolarHBondContact OD1-CD1 3.28Å; D83-S199 WeakPolarHBondContact OD1-CB 3.38Å; D83-S199 PolarHBondContact OD1-N 3.49Å; D83-S199 PolarHBondContact OD1-OG 2.94Å; D83-S199 PolarHBondContact OD2-OG 3.47Å; D83-S199 VanDerWaalsContact OD2-OG 3.09Å
84F76.5Confident83Confident167 Ų16777.1 Ų77.173%0.73240%0.397SS*.THydrogen-bonded Turntrans-63.4-37.7-175.5-174.3-95.8000112.8N81 L86N81-F84 HydrophobicContact CB-CB 4.33Å; N81-F84 PolarHBondContact O-N 3.48Å; F84-L86 VanDerWaalsContact C-N 3.28Å; F84-L86 PolarHBondContact O-N 2.89Å
85D79.7Confident83.4Confident125 Ų12581.5 Ų81.567%0.66842%0.421SS*.THydrogen-bonded Turntrans-83.9-2.9-177.5-61.4-32000113D83D83-D85 VanDerWaalsContact C-N 3.32Å; D83-D85 PolarHBondContact O-N 3.37Å
86L84.3Confident84.1Confident33 Ų3384.1 Ų84.117%0.17344%0.443CS..  trans-82.1136.8-177.2-62.7-176.9000111.7D83 F84 E90 F193D83-L86 HydrophobicContact CB-CD1 3.8Å; D83-L86 HydrophobicContact CB-CG 4.31Å; D83-L86 PolarHBondContact O-N 3.06Å; D83-L86 WeakPolarHBondContact OD1-CD1 3.28Å; F84-L86 VanDerWaalsContact C-N 3.28Å; F84-L86 PolarHBondContact O-N 2.89Å; L86-E90 HydrophobicContact CB-CB 4.17Å; L86-E90 HydrophobicContact CD2-CB 4.19Å; L86-F193 HydrophobicContact CD1-CD2 4.19Å; L86-F193 HydrophobicContact CD1-CE2 4.27Å; L86-F193 HydrophobicContact CD2-CB 3.52Å; L86-F193 HydrophobicContact CD2-CD1 4.23Å; L86-F193 HydrophobicContact CD2-CD2 3.68Å; L86-F193 HydrophobicContact CD2-CE2 4.44Å; L86-F193 HydrophobicContact CD2-CG 3.55Å
87S88.7Confident84.7Confident56 Ų5680.4 Ų80.439%0.39243%0.43SS..  trans-66.5159.3167.768.30000111.3K89 E90 G91S87-K89 PolarHBondContact O-N 3.01Å; S87-K89 VanDerWaalsContact O-N 3.14Å; S87-E90 VanDerWaalsContact CB-OE2 3.28Å; S87-E90 WeakPolarHBondContact CB-OE2 3.17Å; S87-E90 PolarHBondContact N-OE2 3.38Å; S87-E90 PolarHBondContact O-N 3.17Å; S87-E90 VanDerWaalsContact OG-CD 3.22Å; S87-E90 VanDerWaalsContact OG-CG 3.23Å; S87-E90 WeakPolarHBondContact OG-CG 3.35Å; S87-E90 PolarHBondContact OG-N 3.04Å; S87-E90 PolarHBondContact OG-OE2 3.07Å; S87-G91 PolarHBondContact O-N 2.91Å
88A88.9Confident85.2Confident96 Ų9673.6 Ų73.679%0.79340%0.401SS*.Hα-helixtrans-57.1-32.4178.400000113.1A92A88-A92 PolarHBondContact O-N 2.91Å
89K91.7Very high86Confident156 Ų15671.7 Ų71.768%0.67840%0.399SS*.Hα-helixtrans-68.6-47.4174.8-174.7-177.9176-174.50111.1S87 G91 A92 D93S87-K89 PolarHBondContact O-N 3.01Å; S87-K89 VanDerWaalsContact O-N 3.14Å; K89-G91 VanDerWaalsContact C-N 3.31Å; K89-G91 PolarHBondContact O-N 2.82Å; K89-A92 WeakPolarHBondContact O-CB 3.25Å; K89-A92 PolarHBondContact O-N 3.15Å; K89-A92 VanDerWaalsContact O-N 3.17Å; K89-D93 PolarHBondContact O-N 3.29Å
90E90.6Very high86.9Confident58 Ų5864.4 Ų64.427%0.27137%0.369SS..Hα-helixtrans-65.9-34.5178.7-69.9164.514500112.3L86 S87 D93 S94 F193L86-E90 HydrophobicContact CB-CB 4.17Å; L86-E90 HydrophobicContact CD2-CB 4.19Å; S87-E90 VanDerWaalsContact CB-OE2 3.28Å; S87-E90 WeakPolarHBondContact CB-OE2 3.17Å; S87-E90 PolarHBondContact N-OE2 3.38Å; S87-E90 PolarHBondContact O-N 3.17Å; S87-E90 VanDerWaalsContact OG-CD 3.22Å; S87-E90 VanDerWaalsContact OG-CG 3.23Å; S87-E90 WeakPolarHBondContact OG-CG 3.35Å; S87-E90 PolarHBondContact OG-N 3.04Å; S87-E90 PolarHBondContact OG-OE2 3.07Å; E90-D93 PolarHBondContact O-N 3.42Å; E90-S94 VanDerWaalsContact O-CB 3.3Å; E90-S94 WeakPolarHBondContact O-CB 3.15Å; E90-S94 PolarHBondContact O-N 3.31Å; E90-F193 HydrophobicContact CB-CD1 3.67Å; E90-F193 HydrophobicContact CB-CE1 3.57Å; E90-F193 HydrophobicContact CB-CG 4.47Å; E90-F193 HydrophobicContact CB-CZ 4.31Å; E90-F193 HydrophobicContact CG-CD1 3.62Å; E90-F193 HydrophobicContact CG-CE1 3.8Å; E90-F193 VanDerWaalsContact O-CZ 3.27Å; E90-F193 WeakPolarHBondContact O-CZ 3.46Å
91G88.6Confident87.9Confident31 Ų3160.1 Ų60.132%0.3235%0.35SS..Hα-helixtrans-62.7-40.7171.700000112.6S87 K89 S94 L95S87-G91 PolarHBondContact O-N 2.91Å; K89-G91 VanDerWaalsContact C-N 3.31Å; K89-G91 PolarHBondContact O-N 2.82Å; G91-S94 PolarHBondContact O-N 3.35Å; G91-L95 PolarHBondContact O-N 2.9Å; G91-L95 VanDerWaalsContact O-N 3.13Å
92A91.1Very high88.7Confident60 Ų6062 Ų6250%0.49636%0.357SS..Hα-helixtrans-66.8-43.217400000111.8A88 K89 S94 L95 A96A88-A92 PolarHBondContact O-N 2.91Å; K89-A92 WeakPolarHBondContact O-CB 3.25Å; K89-A92 PolarHBondContact O-N 3.15Å; K89-A92 VanDerWaalsContact O-N 3.17Å; A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3.29Å; A92-L95 PolarHBondContact O-N 3.41Å; A92-A96 PolarHBondContact O-N 3.19Å
93D92.3Very high89.7Confident55 Ų5567.4 Ų67.429%0.29438%0.38SS..Hα-helixtrans-61.3-42.5175.5-67.7-20.4000111K89 E90 L95 A96 F97 F193K89-D93 PolarHBondContact O-N 3.29Å; E90-D93 PolarHBondContact O-N 3.42Å; D93-L95 PolarHBondContact O-N 3.22Å; D93-A96 WeakPolarHBondContact O-CB 3.19Å; D93-A96 PolarHBondContact O-N 3.28Å; D93-F97 WeakPolarHBondContact O-CD2 3.36Å; D93-F97 PolarHBondContact O-N 3.04Å; D93-F193 HydrophobicContact CB-CE1 4.31Å; D93-F193 HydrophobicContact CB-CZ 4.32Å
94S91.5Very high90.3Very high4 Ų468.9 Ų68.93%0.02839%0.385CS..Hα-helixtrans-57.3-49.8176.4-178.40000111.3E90 G91 A92 A96 F97 I98 S199E90-S94 VanDerWaalsContact O-CB 3.3Å; E90-S94 WeakPolarHBondContact O-CB 3.15Å; E90-S94 PolarHBondContact O-N 3.31Å; G91-S94 PolarHBondContact O-N 3.35Å; A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3.29Å; S94-A96 VanDerWaalsContact C-N 3.3Å; S94-A96 PolarHBondContact O-N 3.39Å; S94-F97 PolarHBondContact O-N 2.76Å; S94-I98 VanDerWaalsContact O-CG1 3.28Å; S94-I98 WeakPolarHBondContact O-CG1 3.33Å; S94-I98 PolarHBondContact O-N 2.58Å; S94-S199 PolarHBondContact OG-OG 3.33Å
95L91.6Very high91.1Very high113 Ų11360.9 Ų60.959%0.59235%0.35SS*.Hα-helixtrans-62.6-37.4177.9-177.962.6000112.5G91 A92 D93 S99G91-L95 PolarHBondContact O-N 2.9Å; G91-L95 VanDerWaalsContact O-N 3.13Å; A92-L95 PolarHBondContact O-N 3.41Å; D93-L95 PolarHBondContact O-N 3.22Å; L95-S99 WeakPolarHBondContact O-CB 3.33Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.25Å
96A94.3Very high91.8Very high59 Ų5955.5 Ų55.549%0.48832%0.321SS..Hα-helixtrans-64.5-45.4176.500000111.5A92 D93 S94 S99 L100A92-A96 PolarHBondContact O-N 3.19Å; D93-A96 WeakPolarHBondContact O-CB 3.19Å; D93-A96 PolarHBondContact O-N 3.28Å; S94-A96 VanDerWaalsContact C-N 3.3Å; S94-A96 PolarHBondContact O-N 3.39Å; A96-S99 PolarHBondContact O-N 2.72Å; A96-L100 PolarHBondContact O-N 3.34Å
97F94.4Very high92.2Very high42 Ų4254.1 Ų54.118%0.18431%0.314CS..Hα-helixtrans-68.9-36.1177.3-75.5-65.2000113.1D93 S94 L100 L101 L182 R185 L200D93-F97 WeakPolarHBondContact O-CD2 3.36Å; D93-F97 PolarHBondContact O-N 3.04Å; S94-F97 PolarHBondContact O-N 2.76Å; F97-L100 HydrophobicContact CD1-CD2 4.31Å; F97-L100 WeakPolarHBondContact O-CB 3.32Å; F97-L100 PolarHBondContact O-N 2.89Å; F97-L101 WeakPolarHBondContact O-CG 3.46Å; F97-L101 PolarHBondContact O-N 3.49Å; F97-L182 HydrophobicContact CD1-CD2 4.13Å; F97-R185 HydrophobicContact CE1-CB 4.38Å; F97-R185 HydrophobicContact CE1-CG 4.46Å; F97-R185 HydrophobicContact CE2-CG 3.77Å; F97-R185 HydrophobicContact CZ-CB 3.99Å; F97-R185 HydrophobicContact CZ-CG 3.72Å; F97-L200 HydrophobicContact CB-CD1 3.56Å; F97-L200 HydrophobicContact CB-CD2 4.01Å; F97-L200 HydrophobicContact CB-CG 4.47Å; F97-L200 HydrophobicContact CD2-CD2 4.1Å; F97-L200 HydrophobicContact CG-CD2 4.33Å
98I92.9Very high92.4Very high19 Ų1951.4 Ų51.410%0.09730%0.295CS..Hα-helixtrans-62.4-45.3173.4-68.9166.9000110.1S94 L100 L101 E102 L200 Y203S94-I98 VanDerWaalsContact O-CG1 3.28Å; S94-I98 WeakPolarHBondContact O-CG1 3.33Å; S94-I98 PolarHBondContact O-N 2.58Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 2.84Å; I98-L101 WeakPolarHBondContact O-CB 3.33Å; I98-L101 PolarHBondContact O-N 3.37Å; I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.03Å; I98-L200 HydrophobicContact CG1-CD1 3.95Å; I98-Y203 HydrophobicContact CD1-CD2 4.06Å; I98-Y203 HydrophobicContact CD1-CE2 4.35Å; I98-Y203 HydrophobicContact CD1-CG 4.43Å; I98-Y203 HydrophobicContact CG1-CD2 4.31Å; I98-Y203 HydrophobicContact CG1-CG 4.17Å; I98-Y203 HydrophobicContact CG2-CD1 4Å; I98-Y203 HydrophobicContact CG2-CE1 4.01Å; I98-Y203 HydrophobicContact CG2-CG 4.36Å
99S93.8Very high92.6Very high58 Ų5847.1 Ų47.141%0.40626%0.259SS..Hα-helixtrans-59.4-43.1174.9-55.50000111.8L95 A96 L101 E102 E103L95-S99 WeakPolarHBondContact O-CB 3.33Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.25Å; A96-S99 PolarHBondContact O-N 2.72Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.47Å; S99-E102 PolarHBondContact O-N 3.48Å; S99-E103 WeakPolarHBondContact O-CB 3.47Å; S99-E103 PolarHBondContact O-N 3.41Å
100L94.6Very high92.6Very high41 Ų4139.9 Ų39.922%0.21523%0.227CC..Hα-helixtrans-61.1-41.6177.1-177.868.4000112.3A96 F97 I98 E103 K104 L181A96-L100 PolarHBondContact O-N 3.34Å; F97-L100 HydrophobicContact CD1-CD2 4.31Å; F97-L100 WeakPolarHBondContact O-CB 3.32Å; F97-L100 PolarHBondContact O-N 2.89Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 2.84Å; L100-E103 PolarHBondContact O-N 3.26Å; L100-K104 HydrophobicContact CD1-CB 4.49Å; L100-K104 HydrophobicContact CD1-CG 3.76Å; L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.91Å; L100-L181 HydrophobicContact CD2-CD1 3.96Å
101L93.9Very high92.7Very high0 Ų037.7 Ų37.70%022%0.217CC..Iπ-helixtrans-62.5-45.8175.4-77.6162.8000111.7F97 I98 S99 E103 L105 M106 L182 L200 V204F97-L101 WeakPolarHBondContact O-CG 3.46Å; F97-L101 PolarHBondContact O-N 3.49Å; I98-L101 WeakPolarHBondContact O-CB 3.33Å; I98-L101 PolarHBondContact O-N 3.37Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.47Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 3.23Å; L101-L105 HydrophobicContact CD2-CB 4.12Å; L101-L105 HydrophobicContact CD2-CD2 3.41Å; L101-L105 VanDerWaalsContact CD2-CD2 3.41Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CA 3.42Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 PolarHBondContact O-N 3.41Å; L101-M106 PolarHBondContact O-N 3.37Å; L101-L182 HydrophobicContact CD2-CD1 3.52Å; L101-L182 HydrophobicContact CG-CD1 4.25Å; L101-L200 HydrophobicContact CD1-CD1 4.23Å; L101-V204 HydrophobicContact CD1-CG2 3.67Å
102E91.7Very high92.9Very high86 Ų8636.2 Ų36.240%0.40220%0.202SC..Iπ-helixtrans-67.9-31.8-179.5-70.9-174.6170.300112.7I98 S99 M106I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.03Å; S99-E102 PolarHBondContact O-N 3.48Å; E102-M106 WeakPolarHBondContact O-CB 3.44Å
103E92.6Very high92.9Very high126 Ų12634.4 Ų34.459%0.58918%0.182SC*.Iπ-helixtrans-85.8-40.2180-168.1-177.8160.300112.9S99 L100 L101 P107S99-E103 WeakPolarHBondContact O-CB 3.47Å; S99-E103 PolarHBondContact O-N 3.41Å; L100-E103 PolarHBondContact O-N 3.26Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 3.23Å; E103-P107 WeakPolarHBondContact O-CD 3.23Å; E103-P107 VanDerWaalsContact O-CG 3.24Å; E103-P107 WeakPolarHBondContact O-CG 3.36Å
104K93.3Very high92.9Very high61 Ų6132.8 Ų32.827%0.26517%0.172SC..Iπ-helixtrans-103.3-43.1-172.2-61.5-59.9-167.2177.10113.9L100 D174 C178L100-K104 HydrophobicContact CD1-CB 4.49Å; L100-K104 HydrophobicContact CD1-CG 3.76Å; L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.91Å; K104-D174 HydrophobicContact CD-CB 4.09Å; K104-D174 IonicContact NZ-OD2 2.94Å; K104-D174 PolarHBondContact NZ-OD2 2.88Å; K104-C178 HydrophobicContact CB-CB 3.92Å
105L93.6Very high92.8Very high0 Ų033.7 Ų33.70%018%0.178CC..Iπ-helixtrans-86.5-41-174.8-174.964.9000112.6L101 A108 L109 A175 M179 H207 L208 I211L101-L105 HydrophobicContact CD2-CB 4.12Å; L101-L105 HydrophobicContact CD2-CD2 3.41Å; L101-L105 VanDerWaalsContact CD2-CD2 3.41Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CA 3.42Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 2.92Å; L105-L109 HydrophobicContact CD2-CD1 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 HydrophobicContact CG-CG 4.43Å; L105-L109 PolarHBondContact O-N 2.95Å; L105-A175 HydrophobicContact CD1-CB 3.91Å; L105-M179 HydrophobicContact CD1-CG 4.29Å; L105-M179 HydrophobicContact CD1-SD 4.48Å; L105-H207 HydrophobicContact CD2-CB 3.83Å; L105-L208 HydrophobicContact CD2-CD2 3.79Å; L105-I211 HydrophobicContact CD1-CD1 4.47Å
106M92.8Very high92.8Very high12 Ų1229.3 Ų29.36%0.05915%0.154CC..Hα-helixtrans-58.9-43.5-178.6176.374.372.600113L101 E102 A108 L109 I110 K151 L155 H207L101-M106 PolarHBondContact O-N 3.37Å; E102-M106 WeakPolarHBondContact O-CB 3.44Å; M106-A108 PolarHBondContact O-N 3.14Å; M106-L109 WeakPolarHBondContact O-CB 3.47Å; M106-L109 PolarHBondContact O-N 2.85Å; M106-I110 HydrophobicContact CG-CD1 3.91Å; M106-I110 HydrophobicContact CG-CG1 4.47Å; M106-I110 WeakPolarHBondContact O-CG1 3.41Å; M106-I110 PolarHBondContact O-N 3.48Å; M106-I110 HydrophobicContact SD-CD1 4.18Å; M106-I110 HydrophobicContact SD-CG1 4.31Å; M106-K151 PolarHBondContact SD-NZ 2.96Å; M106-L155 HydrophobicContact CG-CD1 4.06Å; M106-H207 WeakPolarHBondContact CE-NE2 3.11Å
107P93.4Very high92.5Very high3 Ų330.5 Ų30.52%0.01916%0.157CC..Hα-helixtrans-58.5-43.3174.4-31.341.2000113.7E103 L109 I110 Y111 L152 L155 L171E103-P107 WeakPolarHBondContact O-CD 3.23Å; E103-P107 VanDerWaalsContact O-CG 3.24Å; E103-P107 WeakPolarHBondContact O-CG 3.36Å; P107-L109 VanDerWaalsContact C-N 3.34Å; P107-L109 PolarHBondContact O-N 3.28Å; P107-I110 PolarHBondContact O-N 2.89Å; P107-Y111 WeakPolarHBondContact O-CB 3.39Å; P107-Y111 PolarHBondContact O-N 2.86Å; P107-L152 HydrophobicContact CB-CD1 3.56Å; P107-L155 HydrophobicContact CG-CB 4.28Å; P107-L155 HydrophobicContact CG-CD1 4.05Å; P107-L171 HydrophobicContact CB-CD2 3.68Å
108A93.4Very high92.2Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-66.1-37.4178.500000112.3L105 M106 Y111 T112 L171 Y172 A175 L221L105-A108 PolarHBondContact O-N 2.92Å; M106-A108 PolarHBondContact O-N 3.14Å; A108-Y111 PolarHBondContact O-N 2.72Å; A108-T112 WeakPolarHBondContact O-CB 3.28Å; A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 2.82Å; A108-L171 HydrophobicContact CB-CB 4.33Å; A108-Y172 HydrophobicContact CB-CD1 4.2Å; A108-A175 HydrophobicContact CB-CB 3.45Å; A108-A175 VanDerWaalsContact CB-CB 3.45Å; A108-L221 HydrophobicContact CB-CD2 4.27Å
109L92.3Very high92.1Very high5 Ų533.8 Ų33.83%0.02617%0.171CC..Hα-helixtrans-60.6-50.7172.1-84.6169.5000111.9L105 M106 P107 Y111 T112 F113 H207 I211L105-L109 HydrophobicContact CD2-CD1 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 HydrophobicContact CG-CG 4.43Å; L105-L109 PolarHBondContact O-N 2.95Å; M106-L109 WeakPolarHBondContact O-CB 3.47Å; M106-L109 PolarHBondContact O-N 2.85Å; P107-L109 VanDerWaalsContact C-N 3.34Å; P107-L109 PolarHBondContact O-N 3.28Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.24Å; L109-T112 PolarHBondContact O-N 3.48Å; L109-F113 HydrophobicContact CD2-CD2 4.11Å; L109-F113 HydrophobicContact CD2-CE2 3.69Å; L109-F113 VanDerWaalsContact O-CD2 3.31Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.99Å; L109-H207 HydrophobicContact CD1-CB 3.79Å; L109-I211 HydrophobicContact CD2-CD1 3.38Å; L109-I211 HydrophobicContact CD2-CG1 3.26Å; L109-I211 HydrophobicContact CG-CD1 4.02Å; L109-I211 HydrophobicContact CG-CG1 4.4Å
110I92.8Very high92Very high5 Ų531.7 Ų31.73%0.02615%0.154CC..Hα-helixtrans-58.4-45.8178.6-68.2165.9000110M106 P107 T112 F113 W114 Q148 K151 L152 L155M106-I110 HydrophobicContact CG-CD1 3.91Å; M106-I110 HydrophobicContact CG-CG1 4.47Å; M106-I110 WeakPolarHBondContact O-CG1 3.41Å; M106-I110 PolarHBondContact O-N 3.48Å; M106-I110 HydrophobicContact SD-CD1 4.18Å; M106-I110 HydrophobicContact SD-CG1 4.31Å; P107-I110 PolarHBondContact O-N 2.89Å; I110-T112 PolarHBondContact O-N 2.91Å; I110-F113 PolarHBondContact O-N 3.2Å; I110-W114 WeakPolarHBondContact O-CB 3.11Å; I110-W114 PolarHBondContact O-N 2.91Å; I110-Q148 HydrophobicContact CG2-CB 3.98Å; I110-Q148 WeakPolarHBondContact CG2-O 3.39Å; I110-K151 HydrophobicContact CD1-CB 4.4Å; I110-K151 HydrophobicContact CD1-CD 3.87Å; I110-K151 HydrophobicContact CD1-CG 4.06Å; I110-L152 HydrophobicContact CG2-CB 3.94Å; I110-L152 HydrophobicContact CG2-CD2 4.36Å; I110-L155 HydrophobicContact CD1-CD1 4.32Å
111Y92.8Very high91.8Very high11 Ų1133.6 Ų33.64%0.04317%0.167CC..Iπ-helixtrans-58.1-51177.4-174.3-85.7000111.8P107 A108 L109 F113 V115 E116 L167 E168 L171 Y172P107-Y111 WeakPolarHBondContact O-CB 3.39Å; P107-Y111 PolarHBondContact O-N 2.86Å; A108-Y111 PolarHBondContact O-N 2.72Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.24Å; Y111-F113 VanDerWaalsContact C-N 3.35Å; Y111-F113 PolarHBondContact O-N 2.83Å; Y111-V115 HydrophobicContact CD2-CB 3.83Å; Y111-V115 HydrophobicContact CD2-CG1 3.8Å; Y111-V115 HydrophobicContact CD2-CG2 4.34Å; Y111-V115 HydrophobicContact CE2-CB 4.2Å; Y111-V115 HydrophobicContact CE2-CG1 3.72Å; Y111-V115 HydrophobicContact CG-CB 4.22Å; Y111-V115 WeakPolarHBondContact O-CB 3.24Å; Y111-V115 PolarHBondContact O-N 3.19Å; Y111-E116 HydrophobicContact CE1-CB 4.49Å; Y111-E116 PolarHBondContact O-N 3.45Å; Y111-L167 HydrophobicContact CD2-CD2 4.3Å; Y111-L167 HydrophobicContact CE2-CD2 4.06Å; Y111-L167 HydrophobicContact CE2-CG 4.39Å; Y111-E168 HydrophobicContact CD1-CG 4.42Å; Y111-E168 HydrophobicContact CE1-CB 3.82Å; Y111-E168 HydrophobicContact CE1-CG 3.67Å; Y111-L171 HydrophobicContact CD2-CD1 3.68Å; Y111-L171 HydrophobicContact CG-CD1 3.78Å; Y111-Y172 HydrophobicContact CD1-CE1 4.14Å
112T92.3Very high91.5Very high1 Ų139.1 Ų39.11%0.00619%0.193CC..Iπ-helixtrans-60.4-40.5-176.5-55.60000112.8A108 L109 I110 N119 Y172 L216A108-T112 WeakPolarHBondContact O-CB 3.28Å; A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 2.82Å; L109-T112 PolarHBondContact O-N 3.48Å; I110-T112 PolarHBondContact O-N 2.91Å; T112-N119 WeakPolarHBondContact O-CB 3.11Å; T112-N119 PolarHBondContact O-ND2 2.91Å; T112-Y172 WeakPolarHBondContact OG1-CE1 3.38Å; T112-Y172 PolarHBondContact OG1-OH 3.17Å; T112-L216 HydrophobicContact CG2-CD1 3.64Å
113F91.4Very high91.4Very high21 Ų2136 Ų369%0.09218%0.18CC..Iπ-helixtrans-92.9-31.3-174.4-74.9-74000114.1L109 I110 Y111 T124 P210 I211 C214 L216L109-F113 HydrophobicContact CD2-CD2 4.11Å; L109-F113 HydrophobicContact CD2-CE2 3.69Å; L109-F113 VanDerWaalsContact O-CD2 3.31Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.99Å; I110-F113 PolarHBondContact O-N 3.2Å; Y111-F113 VanDerWaalsContact C-N 3.35Å; Y111-F113 PolarHBondContact O-N 2.83Å; F113-T124 VanDerWaalsContact O-CB 3.3Å; F113-T124 WeakPolarHBondContact O-CB 3.45Å; F113-T124 PolarHBondContact O-OG1 3.22Å; F113-P210 HydrophobicContact CE2-CB 4.34Å; F113-P210 HydrophobicContact CZ-CB 4.05Å; F113-I211 HydrophobicContact CE2-CG1 4.4Å; F113-C214 HydrophobicContact CE1-CB 4.21Å; F113-C214 HydrophobicContact CZ-CB 4.4Å; F113-L216 HydrophobicContact CD1-CD2 4.19Å; F113-L216 HydrophobicContact CE1-CD1 4.42Å; F113-L216 HydrophobicContact CE1-CD2 3.85Å; F113-L216 HydrophobicContact CZ-CD1 4.35Å
114W91.1Very high91.2Very high21 Ų2130.2 Ų30.28%0.0815%0.153CC..Iπ-helixtrans-117.6-24.7-169.2-61.493.7000114.8I110 F120 T124 Y128 M144 Q145 Q148I110-W114 WeakPolarHBondContact O-CB 3.11Å; I110-W114 PolarHBondContact O-N 2.91Å; W114-F120 HydrophobicContact CE3-CD2 4.17Å; W114-F120 AromaticContact CE3-CE2 3.74Å; W114-F120 HydrophobicContact CE3-CE2 3.74Å; W114-F120 HydrophobicContact CZ3-CE2 4.04Å; W114-T124 HydrophobicContact CD2-CG2 4.21Å; W114-T124 HydrophobicContact CE3-CG2 4.18Å; W114-T124 HydrophobicContact CH2-CG2 4.06Å; W114-T124 HydrophobicContact CZ2-CG2 4.09Å; W114-T124 HydrophobicContact CZ3-CG2 4.11Å; W114-Y128 AromaticContact CH2-CD2 3.91Å; W114-Y128 HydrophobicContact CH2-CD2 3.91Å; W114-Y128 AromaticContact CH2-CE2 3.55Å; W114-Y128 HydrophobicContact CH2-CE2 3.55Å; W114-Y128 HydrophobicContact CZ2-CD2 4.5Å; W114-Y128 AromaticContact CZ2-CE2 3.71Å; W114-Y128 HydrophobicContact CZ2-CE2 3.71Å; W114-M144 HydrophobicContact CH2-CB 3.63Å; W114-M144 HydrophobicContact CH2-CE 3.89Å; W114-M144 HydrophobicContact CH2-SD 4.41Å; W114-M144 HydrophobicContact CZ2-CE 4.41Å; W114-M144 HydrophobicContact CZ3-CB 3.6Å; W114-Q145 HydrophobicContact CE3-CB 3.91Å; W114-Q145 HydrophobicContact CE3-CG 4.37Å; W114-Q145 HydrophobicContact CZ3-CB 4.39Å; W114-Q145 WeakPolarHBondContact O-CG 3.5Å; W114-Q145 PolarHBondContact O-NE2 2.87Å; W114-Q148 HydrophobicContact CB-CB 4.15Å; W114-Q148 HydrophobicContact CD2-CB 4.1Å; W114-Q148 HydrophobicContact CD2-CG 3.82Å; W114-Q148 HydrophobicContact CE3-CG 4.46Å; W114-Q148 HydrophobicContact CG-CB 3.8Å; W114-Q148 HydrophobicContact CG-CG 3.95Å; W114-Q148 HydrophobicContact CZ2-CG 4.25Å
115V90.9Very high91.1Very high24 Ų2432.6 Ų32.615%0.14516%0.161CC..Iπ-helixtrans-102.4-42.7-176.1-176.30000111.3Y111 P117 L149 L152 A163Y111-V115 HydrophobicContact CD2-CB 3.83Å; Y111-V115 HydrophobicContact CD2-CG1 3.8Å; Y111-V115 HydrophobicContact CD2-CG2 4.34Å; Y111-V115 HydrophobicContact CE2-CB 4.2Å; Y111-V115 HydrophobicContact CE2-CG1 3.72Å; Y111-V115 HydrophobicContact CG-CB 4.22Å; Y111-V115 WeakPolarHBondContact O-CB 3.24Å; Y111-V115 PolarHBondContact O-N 3.19Å; V115-P117 WeakPolarHBondContact O-CD 3.46Å; V115-P117 VanDerWaalsContact O-N 3.16Å; V115-L149 HydrophobicContact CG2-CD1 4.12Å; V115-L152 HydrophobicContact CG2-CD2 3.96Å; V115-A163 HydrophobicContact CG1-CB 3.65Å
116E90.2Very high90.8Very high20 Ų2040 Ų409%0.09319%0.188CC..SBendtrans-60.3115.7177.8174.863.3-123.400110.4Y111 K118 N119 F120 N218Y111-E116 HydrophobicContact CE1-CB 4.49Å; Y111-E116 PolarHBondContact O-N 3.45Å; E116-K118 PolarHBondContact O-N 3.04Å; E116-N119 HydrophobicContact CB-CB 4.17Å; E116-N119 HydrophobicContact CG-CB 3.92Å; E116-N119 PolarHBondContact O-N 3.34Å; E116-F120 VanDerWaalsContact O-CB 3.3Å; E116-F120 WeakPolarHBondContact O-CB 3.36Å; E116-F120 PolarHBondContact O-N 3.43Å; E116-N218 HydrophobicContact CG-CB 4.21Å; E116-N218 PolarHBondContact OE2-ND2 3.23Å
117P87.9Confident90.6Very high84 Ų8439.7 Ų39.755%0.54519%0.187SC..Hα-helixtrans-62.5-39.7-169.521.5-34.2000113V115 V121V115-P117 WeakPolarHBondContact O-CD 3.46Å; V115-P117 VanDerWaalsContact O-N 3.16Å; P117-V121 WeakPolarHBondContact O-CB 3.38Å; P117-V121 WeakPolarHBondContact O-CG2 3.48Å; P117-V121 PolarHBondContact O-N 2.9Å; P117-V121 VanDerWaalsContact O-N 3.07Å
118K89.3Confident90.2Very high131 Ų13140.2 Ų40.257%0.5719%0.188SC*.Hα-helixtrans-66.8-49.3-178.7-66.3-178.5-179.8176.20111.3E116 E122 P217E116-K118 PolarHBondContact O-N 3.04Å; K118-E122 WeakPolarHBondContact O-CB 3.39Å; K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 3.28Å; K118-E122 VanDerWaalsContact O-N 3.14Å; K118-P217 HydrophobicContact CB-CB 4.42Å
119N90.4Very high89.9Confident0 Ų041 Ų410%019%0.194CC..Hα-helixtrans-65.2-42.3179.5-68.9-5.5000111.4T112 E116 V123 T124 L216 P217 N218T112-N119 WeakPolarHBondContact O-CB 3.11Å; T112-N119 PolarHBondContact O-ND2 2.91Å; E116-N119 HydrophobicContact CB-CB 4.17Å; E116-N119 HydrophobicContact CG-CB 3.92Å; E116-N119 PolarHBondContact O-N 3.34Å; N119-V123 WeakPolarHBondContact O-CB 3.4Å; N119-V123 PolarHBondContact O-N 2.96Å; N119-T124 PolarHBondContact O-N 3.35Å; N119-L216 HydrophobicContact CB-CD2 4.24Å; N119-P217 VanDerWaalsContact OD1-CD 3.26Å; N119-P217 WeakPolarHBondContact OD1-CD 3.32Å; N119-N218 PolarHBondContact ND2-O 3.36Å; N119-N218 PolarHBondContact OD1-N 3.29Å
120F90.7Very high89.6Confident13 Ų1346.3 Ų46.36%0.05722%0.219CC..Iπ-helixtrans-63.9-48.6-179.2177.4-110.4000112W114 E116 T124 R125 Q145W114-F120 HydrophobicContact CE3-CD2 4.17Å; W114-F120 AromaticContact CE3-CE2 3.74Å; W114-F120 HydrophobicContact CE3-CE2 3.74Å; W114-F120 HydrophobicContact CZ3-CE2 4.04Å; E116-F120 VanDerWaalsContact O-CB 3.3Å; E116-F120 WeakPolarHBondContact O-CB 3.36Å; E116-F120 PolarHBondContact O-N 3.43Å; F120-T124 HydrophobicContact CD2-CG2 4.26Å; F120-T124 PolarHBondContact O-N 3.13Å; F120-R125 HydrophobicContact CD1-CB 4.43Å; F120-R125 HydrophobicContact CD2-CB 4.44Å; F120-R125 HydrophobicContact CE1-CB 4.13Å; F120-R125 HydrophobicContact CE1-CG 4.47Å; F120-R125 HydrophobicContact CE2-CB 4.12Å; F120-R125 HydrophobicContact CZ-CB 3.97Å; F120-R125 HydrophobicContact CZ-CG 4.34Å; F120-R125 WeakPolarHBondContact O-CB 3.26Å; F120-R125 PolarHBondContact O-N 3.44Å; F120-Q145 HydrophobicContact CE2-CB 4Å; F120-Q145 HydrophobicContact CE2-CG 4.05Å; F120-Q145 HydrophobicContact CZ-CB 3.92Å; F120-Q145 VanDerWaalsContact CZ-CD 3.47Å; F120-Q145 HydrophobicContact CZ-CG 4.02Å
121V90.3Very high89Confident82 Ų8248 Ų4850%0.49723%0.227SC..Iπ-helixtrans-71.4-45.6-175.1174.90000111.8P117P117-V121 WeakPolarHBondContact O-CB 3.38Å; P117-V121 WeakPolarHBondContact O-CG2 3.48Å; P117-V121 PolarHBondContact O-N 2.9Å; P117-V121 VanDerWaalsContact O-N 3.07Å
122E89.1Confident88.3Confident115 Ų11548.1 Ų48.154%0.53723%0.228SC..Iπ-helixtrans-79.6-34.6-172.3-66.1-178-170.900113.1K118 R126 P217K118-E122 WeakPolarHBondContact O-CB 3.39Å; K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 3.28Å; K118-E122 VanDerWaalsContact O-N 3.14Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 WeakPolarHBondContact O-CD 3.33Å; E122-P217 HydrophobicContact CB-CG 4.29Å; E122-P217 WeakPolarHBondContact OE2-CG 3.1Å
123V89.1Confident87.7Confident20 Ų2053.8 Ų53.812%0.12126%0.256CS..Iπ-helixtrans-111.4-69.3-171.8-175.90000111W14 N119 R126 W127 C214 P217W14-V123 HydrophobicContact CH2-CG1 4.17Å; W14-V123 HydrophobicContact CZ2-CG1 3.82Å; N119-V123 WeakPolarHBondContact O-CB 3.4Å; N119-V123 PolarHBondContact O-N 2.96Å; V123-R126 PolarHBondContact O-N 3.48Å; V123-W127 VanDerWaalsContact O-CB 3.28Å; V123-W127 WeakPolarHBondContact O-CB 3.42Å; V123-W127 PolarHBondContact O-N 2.9Å; V123-C214 WeakPolarHBondContact CG1-SG 3.43Å; V123-P217 HydrophobicContact CG2-CG 4.33Å
124T88.8Confident87.1Confident5 Ų560.4 Ų60.43%0.03129%0.285CS..Iπ-helixtrans-63.4-58.1-167.9-51.40000111.7F113 W114 N119 F120 R126 W127 Y128F113-T124 VanDerWaalsContact O-CB 3.3Å; F113-T124 WeakPolarHBondContact O-CB 3.45Å; F113-T124 PolarHBondContact O-OG1 3.22Å; W114-T124 HydrophobicContact CD2-CG2 4.21Å; W114-T124 HydrophobicContact CE3-CG2 4.18Å; W114-T124 HydrophobicContact CH2-CG2 4.06Å; W114-T124 HydrophobicContact CZ2-CG2 4.09Å; W114-T124 HydrophobicContact CZ3-CG2 4.11Å; N119-T124 PolarHBondContact O-N 3.35Å; F120-T124 HydrophobicContact CD2-CG2 4.26Å; F120-T124 PolarHBondContact O-N 3.13Å; T124-R126 VanDerWaalsContact C-N 3.32Å; T124-R126 PolarHBondContact O-N 3.39Å; T124-W127 PolarHBondContact O-N 2.8Å; T124-Y128 HydrophobicContact CG2-CD2 3.79Å; T124-Y128 HydrophobicContact CG2-CE2 3.66Å; T124-Y128 WeakPolarHBondContact O-CD2 3.08Å; T124-Y128 PolarHBondContact O-N 2.93Å
125R90Very high86.6Confident112 Ų11262.5 Ų62.542%0.42330%0.301SS..Hα-helixtrans-60.2-43.8-178.7-179-178.6178.2-177.51.2111.1F120 A129 P141F120-R125 HydrophobicContact CD1-CB 4.43Å; F120-R125 HydrophobicContact CD2-CB 4.44Å; F120-R125 HydrophobicContact CE1-CB 4.13Å; F120-R125 HydrophobicContact CE1-CG 4.47Å; F120-R125 HydrophobicContact CE2-CB 4.12Å; F120-R125 HydrophobicContact CZ-CB 3.97Å; F120-R125 HydrophobicContact CZ-CG 4.34Å; F120-R125 WeakPolarHBondContact O-CB 3.26Å; F120-R125 PolarHBondContact O-N 3.44Å; R125-A129 WeakPolarHBondContact O-CB 3.37Å; R125-A129 PolarHBondContact O-N 3.2Å; R125-P141 HydrophobicContact CG-CB 4.08Å
126R88.4Confident86.1Confident154 Ų15463.3 Ų63.358%0.58131%0.305SS*.Hα-helixtrans-60.1-49.8179.5-178.1177.1177.3173.90.1111E122 V123 T124 A129 E130E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 WeakPolarHBondContact O-CD 3.33Å; V123-R126 PolarHBondContact O-N 3.48Å; T124-R126 VanDerWaalsContact C-N 3.32Å; T124-R126 PolarHBondContact O-N 3.39Å; R126-A129 PolarHBondContact O-N 3.37Å; R126-E130 HydrophobicContact CG-CG 4.47Å; R126-E130 WeakPolarHBondContact CG-OE1 3.49Å; R126-E130 IonicContact CZ-OE1 3.16Å; R126-E130 IonicContact NE-OE1 3.22Å; R126-E130 PolarHBondContact NE-OE1 3.43Å; R126-E130 IonicContact NH2-OE1 2.58Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 3.29Å
127W88.2Confident85.8Confident7 Ų764.6 Ų64.63%0.02731%0.312CS..Hα-helixtrans-58.3-53.3178.7-173.286000111.5W10 E11 D13 W14 V19 V123 T124 A129 E130 H131W10-W127 HydrophobicContact CB-CH2 4.38Å; W10-W127 HydrophobicContact CE3-CH2 4.4Å; W10-W127 HydrophobicContact CE3-CZ3 4.27Å; E11-W127 HydrophobicContact CB-CZ2 4.45Å; E11-W127 WeakPolarHBondContact O-CH2 3.42Å; E11-W127 WeakPolarHBondContact O-CZ2 3.32Å; D13-W127 HydrophobicContact CB-CZ2 4.32Å; D13-W127 PolarHBondContact OD2-NE1 3.4Å; W14-W127 HydrophobicContact CZ2-CB 4.46Å; W14-W127 HydrophobicContact CZ2-CG 4.21Å; V19-W127 HydrophobicContact CB-CD2 4.44Å; V19-W127 HydrophobicContact CB-CE3 4.29Å; V19-W127 HydrophobicContact CB-CH2 3.69Å; V19-W127 HydrophobicContact CB-CZ2 3.84Å; V19-W127 HydrophobicContact CB-CZ3 3.92Å; V19-W127 HydrophobicContact CG1-CD2 4.31Å; V19-W127 HydrophobicContact CG1-CE3 4.05Å; V19-W127 HydrophobicContact CG1-CH2 4.34Å; V19-W127 HydrophobicContact CG1-CZ3 4.07Å; V19-W127 HydrophobicContact CG2-CD2 4.06Å; V19-W127 VanDerWaalsContact CG2-CE2 3.48Å; V19-W127 HydrophobicContact CG2-CE3 4.4Å; V19-W127 HydrophobicContact CG2-CH2 3.74Å; V19-W127 HydrophobicContact CG2-CZ2 3.32Å; V19-W127 HydrophobicContact CG2-CZ3 4.25Å; V123-W127 VanDerWaalsContact O-CB 3.28Å; V123-W127 WeakPolarHBondContact O-CB 3.42Å; V123-W127 PolarHBondContact O-N 2.9Å; T124-W127 PolarHBondContact O-N 2.8Å; W127-A129 VanDerWaalsContact C-N 3.28Å; W127-A129 PolarHBondContact O-N 2.92Å; W127-E130 PolarHBondContact O-N 2.73Å; W127-H131 AromaticContact CD1-CE1 3.56Å; W127-H131 AromaticContact CD1-ND1 3.89Å; W127-H131 AromaticContact CD2-ND1 3.79Å; W127-H131 AromaticContact CE2-CE1 3.45Å; W127-H131 VanDerWaalsContact CE2-CE1 3.45Å; W127-H131 AromaticContact CE2-ND1 3.58Å; W127-H131 AromaticContact CE2-NE2 3.92Å; W127-H131 AromaticContact CG-ND1 3.97Å; W127-H131 AromaticContact CZ2-CE1 3.96Å; W127-H131 AromaticContact CZ2-NE2 3.98Å; W127-H131 AromaticContact NE1-CE1 3.14Å; W127-H131 PolarHBondContact NE1-CE1 3Å; W127-H131 AromaticContact NE1-ND1 3.66Å; W127-H131 AromaticContact NE1-NE2 3.77Å; W127-H131 PolarHBondContact O-N 3.43Å; W127-H131 PolarHBondContact O-ND1 3.29Å
128Y85.4Confident85.6Confident14 Ų1466.3 Ų66.36%0.05531%0.311CS..Hα-helixtrans-61.9-35.9178.9-77.1-71.2000112.3W10 W114 T124 M132 M144W10-Y128 HydrophobicContact CD2-CE1 4.09Å; W10-Y128 HydrophobicContact CE3-CD1 4.39Å; W10-Y128 HydrophobicContact CE3-CE1 4.14Å; W10-Y128 HydrophobicContact CH2-CD1 4.03Å; W10-Y128 HydrophobicContact CH2-CE1 4.06Å; W10-Y128 HydrophobicContact CZ2-CD1 4.41Å; W10-Y128 HydrophobicContact CZ2-CE1 4Å; W10-Y128 HydrophobicContact CZ3-CD1 4.02Å; W10-Y128 HydrophobicContact CZ3-CE1 4.13Å; W114-Y128 AromaticContact CH2-CD2 3.91Å; W114-Y128 HydrophobicContact CH2-CD2 3.91Å; W114-Y128 AromaticContact CH2-CE2 3.55Å; W114-Y128 HydrophobicContact CH2-CE2 3.55Å; W114-Y128 HydrophobicContact CZ2-CD2 4.5Å; W114-Y128 AromaticContact CZ2-CE2 3.71Å; W114-Y128 HydrophobicContact CZ2-CE2 3.71Å; T124-Y128 HydrophobicContact CG2-CD2 3.79Å; T124-Y128 HydrophobicContact CG2-CE2 3.66Å; T124-Y128 WeakPolarHBondContact O-CD2 3.08Å; T124-Y128 PolarHBondContact O-N 2.93Å; Y128-M132 HydrophobicContact CD1-CE 3.81Å; Y128-M132 HydrophobicContact CG-CE 4.2Å; Y128-M132 WeakPolarHBondContact O-CB 3.39Å; Y128-M132 WeakPolarHBondContact O-CG 3.21Å; Y128-M132 PolarHBondContact O-N 3.02Å; Y128-M144 HydrophobicContact CD1-CE 4.08Å; Y128-M144 HydrophobicContact CD1-SD 4.25Å; Y128-M144 HydrophobicContact CE1-CE 3.66Å; Y128-M144 HydrophobicContact CE1-SD 4.43Å
129A86.9Confident85.3Confident15 Ų1567.5 Ų67.512%0.12432%0.317CS..Hα-helixtrans-71.1-34.2179.500000113.5R125 R126 W127 N137R125-A129 WeakPolarHBondContact O-CB 3.37Å; R125-A129 PolarHBondContact O-N 3.2Å; R126-A129 PolarHBondContact O-N 3.37Å; W127-A129 VanDerWaalsContact C-N 3.28Å; W127-A129 PolarHBondContact O-N 2.92Å; A129-N137 PolarHBondContact O-ND2 3.06Å
130E85.9Confident85.1Confident117 Ų11768.3 Ų68.355%0.54732%0.321SS..Hα-helixtrans-70.1-35176.2-74.5173.2-177.300111.7R126 W127 M132R126-E130 HydrophobicContact CG-CG 4.47Å; R126-E130 WeakPolarHBondContact CG-OE1 3.49Å; R126-E130 IonicContact CZ-OE1 3.16Å; R126-E130 IonicContact NE-OE1 3.22Å; R126-E130 PolarHBondContact NE-OE1 3.43Å; R126-E130 IonicContact NH2-OE1 2.58Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 3.29Å; W127-E130 PolarHBondContact O-N 2.73Å; E130-M132 VanDerWaalsContact C-N 3.32Å
131H79.4Confident84.9Confident41 Ų4167.7 Ų67.719%0.1932%0.318CS..SBendtrans-85.2-3.5-179-7081.9000113.4E11 C44 W127E11-H131 IonicContact OE2-CD2 3.63Å; E11-H131 PolarHBondContact OE2-CD2 3.41Å; C44-H131 VanDerWaalsContact CB-O 3.27Å; C44-H131 WeakPolarHBondContact CB-O 3.48Å; W127-H131 AromaticContact CD1-CE1 3.56Å; W127-H131 AromaticContact CD1-ND1 3.89Å; W127-H131 AromaticContact CD2-ND1 3.79Å; W127-H131 AromaticContact CE2-CE1 3.45Å; W127-H131 VanDerWaalsContact CE2-CE1 3.45Å; W127-H131 AromaticContact CE2-ND1 3.58Å; W127-H131 AromaticContact CE2-NE2 3.92Å; W127-H131 AromaticContact CG-ND1 3.97Å; W127-H131 AromaticContact CZ2-CE1 3.96Å; W127-H131 AromaticContact CZ2-NE2 3.98Å; W127-H131 AromaticContact NE1-CE1 3.14Å; W127-H131 PolarHBondContact NE1-CE1 3Å; W127-H131 AromaticContact NE1-ND1 3.66Å; W127-H131 AromaticContact NE1-NE2 3.77Å; W127-H131 PolarHBondContact O-N 3.43Å; W127-H131 PolarHBondContact O-ND1 3.29Å
132M79.6Confident84.8Confident13 Ų1365.3 Ų65.36%0.06431%0.31CS..SBendtrans-109141.4-180-72.4169.3-167.500112.1W10 Y128 E130 N137 L140 P141 M144W10-M132 HydrophobicContact CH2-CE 3.73Å; W10-M132 HydrophobicContact CZ3-CE 4.15Å; Y128-M132 HydrophobicContact CD1-CE 3.81Å; Y128-M132 HydrophobicContact CG-CE 4.2Å; Y128-M132 WeakPolarHBondContact O-CB 3.39Å; Y128-M132 WeakPolarHBondContact O-CG 3.21Å; Y128-M132 PolarHBondContact O-N 3.02Å; E130-M132 VanDerWaalsContact C-N 3.32Å; M132-N137 HydrophobicContact CB-CB 4.29Å; M132-L140 HydrophobicContact CE-CB 4.31Å; M132-L140 HydrophobicContact CE-CD2 3.59Å; M132-L140 HydrophobicContact CE-CG 3.83Å; M132-L140 HydrophobicContact CG-CD2 4.47Å; M132-L140 HydrophobicContact SD-CB 3.76Å; M132-L140 HydrophobicContact SD-CD2 3.63Å; M132-L140 HydrophobicContact SD-CG 3.9Å; M132-P141 HydrophobicContact SD-CG 4.19Å; M132-M144 HydrophobicContact CE-SD 3.87Å
133M79.4Confident84.9Confident120 Ų12069.1 Ų69.159%0.59132%0.319SS*.  trans-70.3146.6174.759.9-177-69.400112.5L136 N137M133-L136 HydrophobicContact CG-CD1 4.04Å; M133-L136 WeakPolarHBondContact O-CB 3.42Å; M133-L136 PolarHBondContact O-N 3.26Å; M133-N137 PolarHBondContact O-N 3.44Å
134F78.3Confident84.8Confident160 Ų16069.7 Ų69.770%0.70232%0.321SS*.THydrogen-bonded Turntrans-60.7133.4167178.8-86.7000109.8F138F134-F138 HydrophobicContact CD2-CD2 4.35Å; F134-F138 AromaticContact CD2-CE2 3.62Å; F134-F138 HydrophobicContact CD2-CE2 3.62Å; F134-F138 HydrophobicContact CE2-CD2 4.31Å; F134-F138 AromaticContact CE2-CE2 3.58Å; F134-F138 HydrophobicContact CE2-CE2 3.58Å; F134-F138 HydrophobicContact CE2-CZ 4.48Å
135P81.4Confident85Confident66 Ų6672.3 Ų72.343%0.42933%0.333SS..THydrogen-bonded Turncis-97.62.96.637.2-35.4000115N137 F138P135-N137 PolarHBondContact O-N 3.36Å; P135-F138 PolarHBondContact O-N 3.04Å; P135-F138 VanDerWaalsContact O-N 3.16Å
136L80.1Confident85Confident41 Ų4170.5 Ų70.522%0.21534%0.338CS..Hα-helixtrans-62.4-30.1-172.6-68.3167000113.6W47 M133 F138 F139 L140W47-L136 VanDerWaalsContact CD1-CD1 3.41Å; W47-L136 HydrophobicContact CD2-CD1 4.5Å; W47-L136 HydrophobicContact CG-CD1 4.17Å; W47-L136 HydrophobicContact CH2-CD2 4.44Å; W47-L136 HydrophobicContact CZ2-CD2 3.53Å; W47-L136 VanDerWaalsContact NE1-CD1 3.29Å; M133-L136 HydrophobicContact CG-CD1 4.04Å; M133-L136 WeakPolarHBondContact O-CB 3.42Å; M133-L136 PolarHBondContact O-N 3.26Å; L136-F138 PolarHBondContact O-N 3.28Å; L136-F139 PolarHBondContact O-N 3.49Å; L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 2.99Å
137N83.5Confident85.1Confident47 Ų4770.8 Ų70.825%0.25134%0.339SS..Hα-helixtrans-41.9-38.7170.1152.9-39000113.6A129 M132 M133 P135 P141A129-N137 PolarHBondContact O-ND2 3.06Å; M132-N137 HydrophobicContact CB-CB 4.29Å; M133-N137 PolarHBondContact O-N 3.44Å; P135-N137 PolarHBondContact O-N 3.36Å; N137-P141 WeakPolarHBondContact O-CD 3.49Å; N137-P141 VanDerWaalsContact O-CG 3.32Å; N137-P141 WeakPolarHBondContact O-CG 3.4Å
138F83.1Confident85.2Confident119 Ų11972.5 Ų72.552%0.52235%0.347SS..Hα-helixtrans-79.8-36.4-173.2-67.8-78.1000113.4F134 P135 L136F134-F138 HydrophobicContact CD2-CD2 4.35Å; F134-F138 AromaticContact CD2-CE2 3.62Å; F134-F138 HydrophobicContact CD2-CE2 3.62Å; F134-F138 HydrophobicContact CE2-CD2 4.31Å; F134-F138 AromaticContact CE2-CE2 3.58Å; F134-F138 HydrophobicContact CE2-CE2 3.58Å; F134-F138 HydrophobicContact CE2-CZ 4.48Å; P135-F138 PolarHBondContact O-N 3.04Å; P135-F138 VanDerWaalsContact O-N 3.16Å; L136-F138 PolarHBondContact O-N 3.28Å
139F84.4Confident85.5Confident156 Ų15674 Ų7468%0.68436%0.356SS*.Hα-helixtrans-100.7-36.8-170.1-60-80.1000112.7L136 G142 R143L136-F139 PolarHBondContact O-N 3.49Å; F139-G142 PolarHBondContact O-N 3.34Å; F139-R143 PolarHBondContact O-N 2.9Å
140L84.5Confident85.7Confident17 Ų1778.9 Ų78.99%0.08938%0.376CS..Hα-helixtrans-68.8-43-169.3-173.757.8000113.1P46 M132 L136 G142 R143 M144P46-L140 HydrophobicContact CG-CD2 4.25Å; M132-L140 HydrophobicContact CE-CB 4.31Å; M132-L140 HydrophobicContact CE-CD2 3.59Å; M132-L140 HydrophobicContact CE-CG 3.83Å; M132-L140 HydrophobicContact CG-CD2 4.47Å; M132-L140 HydrophobicContact SD-CB 3.76Å; M132-L140 HydrophobicContact SD-CD2 3.63Å; M132-L140 HydrophobicContact SD-CG 3.9Å; L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 2.99Å; L140-G142 PolarHBondContact O-N 3.35Å; L140-R143 PolarHBondContact O-N 3.09Å; L140-R143 VanDerWaalsContact O-N 3.17Å; L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CG-CG 4.34Å; L140-M144 HydrophobicContact CG-SD 4.12Å; L140-M144 VanDerWaalsContact O-CG 3.28Å; L140-M144 WeakPolarHBondContact O-CG 3.41Å; L140-M144 PolarHBondContact O-N 2.61Å
141P87.3Confident85.9Confident1 Ų176.4 Ų76.41%0.00636%0.364CS..Hα-helixtrans-58.1-37.3174.2-26.136.3000112.9R125 M132 N137 M144 Q145R125-P141 HydrophobicContact CG-CB 4.08Å; M132-P141 HydrophobicContact SD-CG 4.19Å; N137-P141 WeakPolarHBondContact O-CD 3.49Å; N137-P141 VanDerWaalsContact O-CG 3.32Å; N137-P141 WeakPolarHBondContact O-CG 3.4Å; P141-M144 PolarHBondContact O-N 2.83Å; P141-Q145 WeakPolarHBondContact O-CB 3.44Å; P141-Q145 PolarHBondContact O-N 3.35Å
142G89.1Confident86.5Confident31 Ų3174.5 Ų74.532%0.3236%0.355SS..Hα-helixtrans-65.8-45.8175.100000112.4F139 L140 M144 Q145 S146F139-G142 PolarHBondContact O-N 3.34Å; L140-G142 PolarHBondContact O-N 3.35Å; G142-M144 VanDerWaalsContact C-N 3.32Å; G142-M144 PolarHBondContact O-N 3.03Å; G142-Q145 WeakPolarHBondContact O-CB 3.48Å; G142-Q145 PolarHBondContact O-N 3.48Å; G142-S146 PolarHBondContact O-N 3.2Å; G142-S146 PolarHBondContact O-OG 3.42Å
143R89.3Confident87Confident195 Ų19578.5 Ų78.574%0.73637%0.369SS*.Hα-helixtrans-62-40175.2-174.3-179.3175.5116.4-0112.3F139 L140 S146 R147F139-R143 PolarHBondContact O-N 2.9Å; L140-R143 PolarHBondContact O-N 3.09Å; L140-R143 VanDerWaalsContact O-N 3.17Å; R143-S146 PolarHBondContact O-N 3.19Å; R143-R147 PolarHBondContact O-N 3.26Å; R143-R147 VanDerWaalsContact O-N 3.09Å
144M88.7Confident87.5Confident32 Ų3279.1 Ų79.116%0.15837%0.374CS..Hα-helixtrans-64.3-43.2175.9-69.4177.376.300111W10 W114 Y128 M132 L140 P141 G142 S146 R147 Q148W10-M144 HydrophobicContact CH2-CE 4.34Å; W10-M144 HydrophobicContact CH2-SD 4.46Å; W10-M144 HydrophobicContact CZ2-CE 3.72Å; W10-M144 HydrophobicContact CZ2-SD 4.33Å; W114-M144 HydrophobicContact CH2-CB 3.63Å; W114-M144 HydrophobicContact CH2-CE 3.89Å; W114-M144 HydrophobicContact CH2-SD 4.41Å; W114-M144 HydrophobicContact CZ2-CE 4.41Å; W114-M144 HydrophobicContact CZ3-CB 3.6Å; Y128-M144 HydrophobicContact CD1-CE 4.08Å; Y128-M144 HydrophobicContact CD1-SD 4.25Å; Y128-M144 HydrophobicContact CE1-CE 3.66Å; Y128-M144 HydrophobicContact CE1-SD 4.43Å; M132-M144 HydrophobicContact CE-SD 3.87Å; L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CG-CG 4.34Å; L140-M144 HydrophobicContact CG-SD 4.12Å; L140-M144 VanDerWaalsContact O-CG 3.28Å; L140-M144 WeakPolarHBondContact O-CG 3.41Å; L140-M144 PolarHBondContact O-N 2.61Å; P141-M144 PolarHBondContact O-N 2.83Å; G142-M144 VanDerWaalsContact C-N 3.32Å; G142-M144 PolarHBondContact O-N 3.03Å; M144-S146 PolarHBondContact O-N 3Å; M144-R147 PolarHBondContact O-N 3.06Å; M144-Q148 WeakPolarHBondContact O-CG 3.42Å; M144-Q148 PolarHBondContact O-N 3.32Å
145Q91.4Very high88Confident60 Ų6075.1 Ų75.128%0.2836%0.36SS..Hα-helixtrans-57.8-48174.3-171.6-174.424.500111.6W114 F120 P141 G142 R147 Q148 L149W114-Q145 HydrophobicContact CE3-CB 3.91Å; W114-Q145 HydrophobicContact CE3-CG 4.37Å; W114-Q145 HydrophobicContact CZ3-CB 4.39Å; W114-Q145 WeakPolarHBondContact O-CG 3.5Å; W114-Q145 PolarHBondContact O-NE2 2.87Å; F120-Q145 HydrophobicContact CE2-CB 4Å; F120-Q145 HydrophobicContact CE2-CG 4.05Å; F120-Q145 HydrophobicContact CZ-CB 3.92Å; F120-Q145 VanDerWaalsContact CZ-CD 3.47Å; F120-Q145 HydrophobicContact CZ-CG 4.02Å; P141-Q145 WeakPolarHBondContact O-CB 3.44Å; P141-Q145 PolarHBondContact O-N 3.35Å; G142-Q145 WeakPolarHBondContact O-CB 3.48Å; G142-Q145 PolarHBondContact O-N 3.48Å; Q145-R147 VanDerWaalsContact C-N 3.33Å; Q145-R147 PolarHBondContact O-N 3.38Å; Q145-Q148 PolarHBondContact O-N 2.92Å; Q145-L149 WeakPolarHBondContact O-CB 3.27Å; Q145-L149 PolarHBondContact O-N 3.46Å
146S90.6Very high88.2Confident75 Ų7575.6 Ų75.652%0.52435%0.353SS..Hα-helixtrans-58.8-42.8177.5-56.20000112.4G142 R143 M144 Q148 L149 E150G142-S146 PolarHBondContact O-N 3.2Å; G142-S146 PolarHBondContact O-OG 3.42Å; R143-S146 PolarHBondContact O-N 3.19Å; M144-S146 PolarHBondContact O-N 3Å; S146-Q148 PolarHBondContact O-N 3.26Å; S146-L149 PolarHBondContact O-N 3.23Å; S146-E150 WeakPolarHBondContact O-CB 3.01Å; S146-E150 PolarHBondContact O-N 3.45Å
147R90.4Very high88.3Confident160 Ų16077 Ų7760%0.60438%0.377SS*.Hα-helixtrans-64-38.9177.2-178.8176.6173.6166.5-1.7112.5R143 M144 Q145 K151R143-R147 PolarHBondContact O-N 3.26Å; R143-R147 VanDerWaalsContact O-N 3.09Å; M144-R147 PolarHBondContact O-N 3.06Å; Q145-R147 VanDerWaalsContact C-N 3.33Å; Q145-R147 PolarHBondContact O-N 3.38Å; R147-K151 PolarHBondContact O-N 2.99Å
148Q91.2Very high88.2Confident43 Ų4378 Ų7820%0.20138%0.383CS..Hα-helixtrans-71.9-38.4178.1-66.2-63.1-2700111.4I110 W114 M144 Q145 S146 K151 L152I110-Q148 HydrophobicContact CG2-CB 3.98Å; I110-Q148 WeakPolarHBondContact CG2-O 3.39Å; W114-Q148 HydrophobicContact CB-CB 4.15Å; W114-Q148 HydrophobicContact CD2-CB 4.1Å; W114-Q148 HydrophobicContact CD2-CG 3.82Å; W114-Q148 HydrophobicContact CE3-CG 4.46Å; W114-Q148 HydrophobicContact CG-CB 3.8Å; W114-Q148 HydrophobicContact CG-CG 3.95Å; W114-Q148 HydrophobicContact CZ2-CG 4.25Å; M144-Q148 WeakPolarHBondContact O-CG 3.42Å; M144-Q148 PolarHBondContact O-N 3.32Å; Q145-Q148 PolarHBondContact O-N 2.92Å; S146-Q148 PolarHBondContact O-N 3.26Å; Q148-K151 WeakPolarHBondContact O-CB 3.44Å; Q148-K151 PolarHBondContact O-N 2.85Å; Q148-L152 PolarHBondContact O-N 2.91Å
149L91.1Very high87.5Confident45 Ų4580 Ų8024%0.23639%0.393CS..Hα-helixtrans-63.4-41.6173.8-17762.2000111.8V115 Q145 S146 L152 R153 L161V115-L149 HydrophobicContact CG2-CD1 4.12Å; Q145-L149 WeakPolarHBondContact O-CB 3.27Å; Q145-L149 PolarHBondContact O-N 3.46Å; S146-L149 PolarHBondContact O-N 3.23Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 3.08Å; L149-R153 WeakPolarHBondContact O-CG 3.46Å; L149-R153 PolarHBondContact O-N 3.42Å; L149-L161 HydrophobicContact CD1-CD2 4.18Å
150E91.1Very high86.8Confident117 Ų11779.8 Ų79.855%0.54739%0.394SS..Hα-helixtrans-60.9-45173-173.4-178.8-174.100111.4S146 L152 R153 L154S146-E150 WeakPolarHBondContact O-CB 3.01Å; S146-E150 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 3.1Å; E150-R153 WeakPolarHBondContact O-CB 3.47Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-L154 HydrophobicContact CG-CD1 4.41Å; E150-L154 WeakPolarHBondContact O-CG 3.4Å; E150-L154 PolarHBondContact O-N 3.43Å
151K90.4Very high86.4Confident66 Ų6679.5 Ų79.529%0.28739%0.393SS..Hα-helixtrans-57.9-43.1173.8-175.2-179.8178.3-172.50111.8M106 I110 R147 Q148 L154 L155M106-K151 PolarHBondContact SD-NZ 2.96Å; I110-K151 HydrophobicContact CD1-CB 4.4Å; I110-K151 HydrophobicContact CD1-CD 3.87Å; I110-K151 HydrophobicContact CD1-CG 4.06Å; R147-K151 PolarHBondContact O-N 2.99Å; Q148-K151 WeakPolarHBondContact O-CB 3.44Å; Q148-K151 PolarHBondContact O-N 2.85Å; K151-L154 PolarHBondContact O-N 3.23Å; K151-L155 HydrophobicContact CG-CD1 4.16Å; K151-L155 WeakPolarHBondContact O-CG 3.48Å; K151-L155 PolarHBondContact O-N 2.93Å
152L91.3Very high85.8Confident0 Ų087.5 Ų87.50%043%0.43CS..Hα-helixtrans-62.1-44.3177.4-178.963.6000111.8P107 I110 V115 Q148 L149 E150 L154 L155 R156 L161P107-L152 HydrophobicContact CB-CD1 3.56Å; I110-L152 HydrophobicContact CG2-CB 3.94Å; I110-L152 HydrophobicContact CG2-CD2 4.36Å; V115-L152 HydrophobicContact CG2-CD2 3.96Å; Q148-L152 PolarHBondContact O-N 2.91Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 3.08Å; E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 3.1Å; L152-L154 PolarHBondContact O-N 3.3Å; L152-L155 PolarHBondContact O-N 3.37Å; L152-R156 HydrophobicContact CD1-CG 4.39Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 WeakPolarHBondContact O-CG 3.27Å; L152-R156 PolarHBondContact O-N 3.28Å; L152-R156 VanDerWaalsContact O-N 3.09Å; L152-L161 HydrophobicContact CD2-CD1 4.37Å; L152-L161 HydrophobicContact CD2-CD2 3.87Å; L152-L161 HydrophobicContact CG-CD1 4.15Å; L152-L161 HydrophobicContact CG-CD2 4.44Å
153R90.6Very high85.1Confident98 Ų9889.3 Ų89.337%0.3744%0.443SS..Hα-helixtrans-60-44.6176.2-71.7170.9178.9167.7-3.8111.8L149 E150 R156 G157 D158 L161L149-R153 WeakPolarHBondContact O-CG 3.46Å; L149-R153 PolarHBondContact O-N 3.42Å; E150-R153 WeakPolarHBondContact O-CB 3.47Å; E150-R153 PolarHBondContact O-N 2.82Å; R153-R156 PolarHBondContact O-N 3.26Å; R153-G157 PolarHBondContact O-N 3.01Å; R153-D158 WeakPolarHBondContact CB-O 3Å; R153-D158 WeakPolarHBondContact CG-O 3.41Å; R153-D158 PolarHBondContact O-N 3.42Å; R153-L161 HydrophobicContact CG-CB 4.01Å
154L90.8Very high84.8Confident133 Ų13381.6 Ų81.670%0.69642%0.423SS*.Hα-helixtrans-63.9-43.2178.1-69.4173.2000112.5E150 K151 L152 R156 G157E150-L154 HydrophobicContact CG-CD1 4.41Å; E150-L154 WeakPolarHBondContact O-CG 3.4Å; E150-L154 PolarHBondContact O-N 3.43Å; K151-L154 PolarHBondContact O-N 3.23Å; L152-L154 PolarHBondContact O-N 3.3Å; L154-R156 VanDerWaalsContact C-N 3.28Å; L154-R156 PolarHBondContact O-N 2.98Å; L154-G157 PolarHBondContact O-N 2.96Å
155L87.8Confident84.6Confident76 Ų7686.3 Ų86.340%0.39845%0.445SS..Hα-helixtrans-65.1-33.9178.3-72.5171.6000112.3M106 P107 I110 K151 L152M106-L155 HydrophobicContact CG-CD1 4.06Å; P107-L155 HydrophobicContact CG-CB 4.28Å; P107-L155 HydrophobicContact CG-CD1 4.05Å; I110-L155 HydrophobicContact CD1-CD1 4.32Å; K151-L155 HydrophobicContact CG-CD1 4.16Å; K151-L155 WeakPolarHBondContact O-CG 3.48Å; K151-L155 PolarHBondContact O-N 2.93Å; L152-L155 PolarHBondContact O-N 3.37Å
156R85.1Confident84.4Confident75 Ų7591.3 Ų91.328%0.28347%0.468SS..Hα-helixtrans-86-19.9-179.9-73.5-73.9-60.7-124.6-7.3113.6L152 R153 L154 D158 L161 E170 L171L152-R156 HydrophobicContact CD1-CG 4.39Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 WeakPolarHBondContact O-CG 3.27Å; L152-R156 PolarHBondContact O-N 3.28Å; L152-R156 VanDerWaalsContact O-N 3.09Å; R153-R156 PolarHBondContact O-N 3.26Å; L154-R156 VanDerWaalsContact C-N 3.28Å; L154-R156 PolarHBondContact O-N 2.98Å; R156-D158 HydrophobicContact CB-CB 4.45Å; R156-D158 PolarHBondContact O-N 2.77Å; R156-L161 HydrophobicContact CB-CD1 4.2Å; R156-L161 HydrophobicContact CG-CD1 4.11Å; R156-E170 IonicContact CZ-OE2 3.82Å; R156-E170 VanDerWaalsContact CZ-OE2 3.22Å; R156-E170 IonicContact NH1-OE1 2.72Å; R156-E170 IonicContact NH1-OE2 2.67Å; R156-E170 PolarHBondContact NH1-OE2 2.95Å; R156-E170 IonicContact NH2-OE1 3.03Å; R156-E170 IonicContact NH2-OE2 3.74Å; R156-E170 PolarHBondContact NH2-OE2 3.06Å; R156-L171 VanDerWaalsContact NH1-CD2 3.3Å
157G83.5Confident84.3Confident71 Ų7188.5 Ų88.573%0.73245%0.447SS*.THydrogen-bonded Turntrans68.122.5-171.800000113.5R153 L154R153-G157 PolarHBondContact O-N 3.01Å; L154-G157 PolarHBondContact O-N 2.96Å
158D79.6Confident84.3Confident69 Ų6981.4 Ų81.437%0.36942%0.421SS..  trans-118.6110.3-178.6-171.5-4.9000110.5R153 R156 H160R153-D158 WeakPolarHBondContact CB-O 3Å; R153-D158 WeakPolarHBondContact CG-O 3.41Å; R153-D158 PolarHBondContact O-N 3.42Å; R156-D158 HydrophobicContact CB-CB 4.45Å; R156-D158 PolarHBondContact O-N 2.77Å; D158-H160 VanDerWaalsContact C-N 3.33Å; D158-H160 PolarHBondContact OD1-N 3Å
159E70.3Confident84.3Confident159 Ų15985.1 Ų85.174%0.74344%0.436SS*.THydrogen-bonded Turntrans-71.5-28.6179.5-66.9-170.4149.900112.6
160H69.6Low84.4Confident152 Ų15286.2 Ų86.270%0.70444%0.441SS*.THydrogen-bonded Turntrans-105.431.5-174.2-63.288.2000112.1D158 E162D158-H160 VanDerWaalsContact C-N 3.33Å; D158-H160 PolarHBondContact OD1-N 3Å; H160-E162 WeakPolarHBondContact O-CG 3.44Å; H160-E162 PolarHBondContact O-N 3.21Å
161L74.9Confident84.5Confident12 Ų1280.9 Ų80.96%0.06342%0.416CS..  trans-54.8105.6-179-171.1135.9000111.3L149 L152 R153 R156 L167L149-L161 HydrophobicContact CD1-CD2 4.18Å; L152-L161 HydrophobicContact CD2-CD1 4.37Å; L152-L161 HydrophobicContact CD2-CD2 3.87Å; L152-L161 HydrophobicContact CG-CD1 4.15Å; L152-L161 HydrophobicContact CG-CD2 4.44Å; R153-L161 HydrophobicContact CG-CB 4.01Å; R156-L161 HydrophobicContact CB-CD1 4.2Å; R156-L161 HydrophobicContact CG-CD1 4.11Å; L161-L167 HydrophobicContact CD1-CD1 4.25Å; L161-L167 HydrophobicContact CD1-CD2 4.07Å; L161-L167 HydrophobicContact CD2-CD2 3.53Å; L161-L167 HydrophobicContact CG-CD2 3.63Å
162E75.2Confident84.6Confident168 Ų16878.7 Ų78.779%0.78541%0.406SS*.  trans-89.6125.6175.6-65.7-166.4160.100109.5H160 G164 L167H160-E162 WeakPolarHBondContact O-CG 3.44Å; H160-E162 PolarHBondContact O-N 3.21Å; E162-G164 PolarHBondContact O-N 3.14Å; E162-L167 WeakPolarHBondContact O-CD2 3.43Å
163A74.9Confident84.8Confident70 Ų7085.9 Ų85.958%0.57943%0.433SS*.  trans-69.7101.9174.300000109.1V115V115-A163 HydrophobicContact CG1-CB 3.65Å
164G82.8Confident85Confident32 Ų3282.2 Ų82.233%0.3342%0.42SS..  trans-139.5171.817800000112.5E162 E166 L167 E168E162-G164 PolarHBondContact O-N 3.14Å; G164-E166 VanDerWaalsContact C-N 3.28Å; G164-E166 PolarHBondContact O-N 3.4Å; G164-L167 PolarHBondContact O-N 3.02Å; G164-E168 PolarHBondContact O-N 3.06Å; G164-E168 VanDerWaalsContact O-N 3.1Å
165E84.1Confident85.2Confident132 Ų13275.9 Ų75.962%0.61739%0.387SS*.Hα-helixtrans-63.6-32.2179.5-69.3-167.5-178.300113.2E168 K169E165-E168 PolarHBondContact O-N 3.21Å; E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 WeakPolarHBondContact O-CD 3.48Å; E165-K169 WeakPolarHBondContact O-CG 3.49Å; E165-K169 PolarHBondContact O-N 3.37Å; E165-K169 IonicContact OE2-NZ 3.64Å; E165-K169 PolarHBondContact OE2-NZ 3.32Å
166E86.4Confident85.5Confident165 Ų16573.1 Ų73.177%0.77138%0.375SS*.Hα-helixtrans-66.4-45.7179.8-175.3165.2-156.800111G164 E168 K169 E170G164-E166 VanDerWaalsContact C-N 3.28Å; G164-E166 PolarHBondContact O-N 3.4Å; E166-E168 PolarHBondContact O-N 3.39Å; E166-K169 PolarHBondContact O-N 3.21Å; E166-E170 PolarHBondContact O-N 2.74Å
167L89.3Confident86Confident16 Ų1675.1 Ų75.18%0.08439%0.388CS..Hα-helixtrans-61-44173.9-179.467.3000111.7Y111 L161 E162 G164 K169 E170 L171Y111-L167 HydrophobicContact CD2-CD2 4.3Å; Y111-L167 HydrophobicContact CE2-CD2 4.06Å; Y111-L167 HydrophobicContact CE2-CG 4.39Å; L161-L167 HydrophobicContact CD1-CD1 4.25Å; L161-L167 HydrophobicContact CD1-CD2 4.07Å; L161-L167 HydrophobicContact CD2-CD2 3.53Å; L161-L167 HydrophobicContact CG-CD2 3.63Å; E162-L167 WeakPolarHBondContact O-CD2 3.43Å; G164-L167 PolarHBondContact O-N 3.02Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-K169 PolarHBondContact O-N 3.06Å; L167-E170 PolarHBondContact O-N 2.8Å; L167-L171 HydrophobicContact CD1-CD1 4.03Å; L167-L171 HydrophobicContact CD1-CG 4.1Å; L167-L171 HydrophobicContact CD2-CD1 4.46Å; L167-L171 HydrophobicContact CG-CD1 3.87Å; L167-L171 HydrophobicContact CG-CG 4.32Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.47Å
168E90.7Very high86.6Confident10 Ų1071.8 Ų71.85%0.04735%0.354CS..Hα-helixtrans-56.3-49.2175.2-173.6-169.5-177.900111Y111 G164 E165 E166 E170 L171 Y172 N218 K220Y111-E168 HydrophobicContact CD1-CG 4.42Å; Y111-E168 HydrophobicContact CE1-CB 3.82Å; Y111-E168 HydrophobicContact CE1-CG 3.67Å; G164-E168 PolarHBondContact O-N 3.06Å; G164-E168 VanDerWaalsContact O-N 3.1Å; E165-E168 PolarHBondContact O-N 3.21Å; E166-E168 PolarHBondContact O-N 3.39Å; E168-E170 PolarHBondContact O-N 3.31Å; E168-L171 PolarHBondContact O-N 2.79Å; E168-Y172 HydrophobicContact CG-CD2 3.85Å; E168-Y172 HydrophobicContact CG-CE1 4.43Å; E168-Y172 HydrophobicContact CG-CE2 3.55Å; E168-Y172 HydrophobicContact CG-CG 4.4Å; E168-Y172 WeakPolarHBondContact O-CB 3.39Å; E168-Y172 PolarHBondContact O-N 2.99Å; E168-Y172 WeakPolarHBondContact OE1-CE2 3.29Å; E168-N218 PolarHBondContact OE1-ND2 3.06Å; E168-K220 WeakPolarHBondContact OE1-CD 3.3Å; E168-K220 WeakPolarHBondContact OE1-CE 3.4Å; E168-K220 IonicContact OE1-NZ 3.55Å; E168-K220 PolarHBondContact OE1-NZ 2.94Å; E168-K220 IonicContact OE2-NZ 3.34Å; E168-K220 PolarHBondContact OE2-NZ 2.89Å
169K91.3Very high87.3Confident121 Ų12168.5 Ų68.553%0.52634%0.336SS..Hα-helixtrans-61.9-44-178-74.4164.8-168.7160.40111.6E165 E166 L167 R173E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 WeakPolarHBondContact O-CD 3.48Å; E165-K169 WeakPolarHBondContact O-CG 3.49Å; E165-K169 PolarHBondContact O-N 3.37Å; E165-K169 IonicContact OE2-NZ 3.64Å; E165-K169 PolarHBondContact OE2-NZ 3.32Å; E166-K169 PolarHBondContact O-N 3.21Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-K169 PolarHBondContact O-N 3.06Å; K169-R173 VanDerWaalsContact O-CB 3.26Å; K169-R173 WeakPolarHBondContact O-CB 3.45Å; K169-R173 PolarHBondContact O-N 2.99Å
170E92.1Very high88.5Confident69 Ų6963.7 Ų63.732%0.32232%0.315SS..Hα-helixtrans-64.1-50.5178.1-169.1-168.4-174.400111.5R156 E166 L167 E168 Y172 R173 D174R156-E170 IonicContact CZ-OE2 3.82Å; R156-E170 VanDerWaalsContact CZ-OE2 3.22Å; R156-E170 IonicContact NH1-OE1 2.72Å; R156-E170 IonicContact NH1-OE2 2.67Å; R156-E170 PolarHBondContact NH1-OE2 2.95Å; R156-E170 IonicContact NH2-OE1 3.03Å; R156-E170 IonicContact NH2-OE2 3.74Å; R156-E170 PolarHBondContact NH2-OE2 3.06Å; E166-E170 PolarHBondContact O-N 2.74Å; L167-E170 PolarHBondContact O-N 2.8Å; E168-E170 PolarHBondContact O-N 3.31Å; E170-Y172 VanDerWaalsContact C-N 3.31Å; E170-Y172 PolarHBondContact O-N 3.05Å; E170-R173 PolarHBondContact O-N 3.22Å; E170-D174 WeakPolarHBondContact O-CB 3.16Å; E170-D174 PolarHBondContact O-N 3.37Å
171L93.1Very high89.7Confident4 Ų459.7 Ų59.72%0.02130%0.299CS..Hα-helixtrans-60.2-41.7179.8-69.9176000111.9P107 A108 Y111 R156 L167 E168 A175P107-L171 HydrophobicContact CB-CD2 3.68Å; A108-L171 HydrophobicContact CB-CB 4.33Å; Y111-L171 HydrophobicContact CD2-CD1 3.68Å; Y111-L171 HydrophobicContact CG-CD1 3.78Å; R156-L171 VanDerWaalsContact NH1-CD2 3.3Å; L167-L171 HydrophobicContact CD1-CD1 4.03Å; L167-L171 HydrophobicContact CD1-CG 4.1Å; L167-L171 HydrophobicContact CD2-CD1 4.46Å; L167-L171 HydrophobicContact CG-CD1 3.87Å; L167-L171 HydrophobicContact CG-CG 4.32Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.47Å; E168-L171 PolarHBondContact O-N 2.79Å; L171-A175 VanDerWaalsContact O-CB 3.29Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.2Å
172Y93.9Very high90.6Very high21 Ų2159.1 Ų59.18%0.08230%0.296CS..Hα-helixtrans-73.8-32.8179.9-72.12000112.6A108 Y111 T112 E168 E170 A176 K220 L221A108-Y172 HydrophobicContact CB-CD1 4.2Å; Y111-Y172 HydrophobicContact CD1-CE1 4.14Å; T112-Y172 WeakPolarHBondContact OG1-CE1 3.38Å; T112-Y172 PolarHBondContact OG1-OH 3.17Å; E168-Y172 HydrophobicContact CG-CD2 3.85Å; E168-Y172 HydrophobicContact CG-CE1 4.43Å; E168-Y172 HydrophobicContact CG-CE2 3.55Å; E168-Y172 HydrophobicContact CG-CG 4.4Å; E168-Y172 WeakPolarHBondContact O-CB 3.39Å; E168-Y172 PolarHBondContact O-N 2.99Å; E168-Y172 WeakPolarHBondContact OE1-CE2 3.29Å; E170-Y172 VanDerWaalsContact C-N 3.31Å; E170-Y172 PolarHBondContact O-N 3.05Å; Y172-A176 WeakPolarHBondContact O-CB 3.46Å; Y172-A176 PolarHBondContact O-N 3.47Å; Y172-K220 HydrophobicContact CD2-CB 3.91Å; Y172-K220 HydrophobicContact CD2-CD 4.2Å; Y172-K220 HydrophobicContact CE2-CB 3.82Å; Y172-K220 HydrophobicContact CE2-CD 4.1Å; Y172-L221 HydrophobicContact CD1-CB 4.5Å; Y172-L221 HydrophobicContact CD1-CD1 4.29Å; Y172-L221 HydrophobicContact CE1-CB 4.37Å
173R94.8Very high91.5Very high151 Ų15152 Ų5257%0.5727%0.265SS*.Hα-helixtrans-63.1-49.7172.4-178.5-164.866.7-161.5-5.3110.7K169 E170 A175 A176 E177K169-R173 VanDerWaalsContact O-CB 3.26Å; K169-R173 WeakPolarHBondContact O-CB 3.45Å; K169-R173 PolarHBondContact O-N 2.99Å; E170-R173 PolarHBondContact O-N 3.22Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.38Å; R173-A176 WeakPolarHBondContact O-CB 3.36Å; R173-A176 PolarHBondContact O-N 2.93Å; R173-E177 PolarHBondContact O-N 3.26Å
174D94.4Very high92.4Very high20 Ų2055.7 Ų55.711%0.10727%0.27CS..Hα-helixtrans-62.7-41.4-179.6-8335.7000111.7K104 E170 E177 C178K104-D174 HydrophobicContact CD-CB 4.09Å; K104-D174 IonicContact NZ-OD2 2.94Å; K104-D174 PolarHBondContact NZ-OD2 2.88Å; E170-D174 WeakPolarHBondContact O-CB 3.16Å; E170-D174 PolarHBondContact O-N 3.37Å; D174-E177 PolarHBondContact O-N 3.09Å; D174-C178 PolarHBondContact O-N 3.33Å; D174-C178 VanDerWaalsContact O-N 3.08Å
175A95.4Very high92.9Very high0 Ų057.6 Ų57.60%027%0.267CS..Hα-helixtrans-68.2-37.1173.800000113.1L105 A108 L171 R173 C178 M179 L221L105-A175 HydrophobicContact CD1-CB 3.91Å; A108-A175 HydrophobicContact CB-CB 3.45Å; A108-A175 VanDerWaalsContact CB-CB 3.45Å; L171-A175 VanDerWaalsContact O-CB 3.29Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.2Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.38Å; A175-C178 PolarHBondContact O-N 2.98Å; A175-M179 HydrophobicContact CB-CE 4.46Å; A175-M179 WeakPolarHBondContact O-CE 3.44Å; A175-M179 WeakPolarHBondContact O-CG 3.36Å; A175-M179 PolarHBondContact O-N 3.06Å; A175-L221 HydrophobicContact CB-CD1 3.84Å
176A94.6Very high93.3Very high18 Ų1851.4 Ų51.415%0.14924%0.238CC..Hα-helixtrans-62.1-45.5174.100000111.4Y172 R173 C178 M179 N180 H224Y172-A176 WeakPolarHBondContact O-CB 3.46Å; Y172-A176 PolarHBondContact O-N 3.47Å; R173-A176 WeakPolarHBondContact O-CB 3.36Å; R173-A176 PolarHBondContact O-N 2.93Å; A176-C178 VanDerWaalsContact C-N 3.34Å; A176-C178 PolarHBondContact O-N 3.49Å; A176-M179 PolarHBondContact O-N 3.12Å; A176-N180 VanDerWaalsContact O-CG 3.31Å; A176-N180 PolarHBondContact O-N 2.92Å; A176-N180 PolarHBondContact O-ND2 3.49Å; A176-H224 VanDerWaalsContact CB-CD2 3.49Å; A176-H224 WeakPolarHBondContact CB-CD2 3.33Å; A176-H224 WeakPolarHBondContact CB-NE2 3.48Å
177E95.2Very high93.5Very high117 Ų11745.3 Ų45.355%0.54722%0.22SC..Hα-helixtrans-58.7-45.9174.7-172.1175.2-174.200111.6R173 D174 M179 N180 L181R173-E177 PolarHBondContact O-N 3.26Å; D174-E177 PolarHBondContact O-N 3.09Å; E177-M179 PolarHBondContact O-N 2.8Å; E177-N180 PolarHBondContact O-N 2.99Å; E177-L181 WeakPolarHBondContact O-CG 3.34Å; E177-L181 PolarHBondContact O-N 3.08Å
178C95.7Very high93.4Very high2 Ų250.2 Ų50.21%0.01426%0.255CS..Hα-helixtrans-58.1-47.3174.9-179.50000112.3K104 D174 A175 A176 N180 L181 L182K104-C178 HydrophobicContact CB-CB 3.92Å; D174-C178 PolarHBondContact O-N 3.33Å; D174-C178 VanDerWaalsContact O-N 3.08Å; A175-C178 PolarHBondContact O-N 2.98Å; A176-C178 VanDerWaalsContact C-N 3.34Å; A176-C178 PolarHBondContact O-N 3.49Å; C178-N180 VanDerWaalsContact C-N 3.32Å; C178-N180 PolarHBondContact O-N 2.89Å; C178-L181 PolarHBondContact O-N 2.97Å; C178-L182 WeakPolarHBondContact O-CG 3.36Å; C178-L182 PolarHBondContact O-N 3.14Å
179M94.6Very high93.3Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-63.1-37.3177.4-73.6-175-78.800112.5L105 A175 A176 E177 L182 S183 L208 L221 L225 L228 L231L105-M179 HydrophobicContact CD1-CG 4.29Å; L105-M179 HydrophobicContact CD1-SD 4.48Å; A175-M179 HydrophobicContact CB-CE 4.46Å; A175-M179 WeakPolarHBondContact O-CE 3.44Å; A175-M179 WeakPolarHBondContact O-CG 3.36Å; A175-M179 PolarHBondContact O-N 3.06Å; A176-M179 PolarHBondContact O-N 3.12Å; E177-M179 PolarHBondContact O-N 2.8Å; M179-L182 PolarHBondContact O-N 3.47Å; M179-S183 WeakPolarHBondContact O-CB 3.06Å; M179-S183 PolarHBondContact O-N 3.2Å; M179-L208 HydrophobicContact CG-CD2 4.1Å; M179-L208 HydrophobicContact SD-CD2 4.03Å; M179-L221 HydrophobicContact CE-CD1 3.43Å; M179-L221 VanDerWaalsContact CE-CD1 3.43Å; M179-L221 HydrophobicContact CE-CG 4.17Å; M179-L225 HydrophobicContact SD-CB 3.96Å; M179-L225 HydrophobicContact SD-CD1 3.87Å; M179-L225 HydrophobicContact SD-CG 4.39Å; M179-L228 HydrophobicContact CB-CD1 3.84Å; M179-L231 HydrophobicContact CB-CD1 4.35Å; M179-L231 WeakPolarHBondContact O-CD1 3.46Å
180N95.2Very high93.1Very high57 Ų5756.2 Ų56.231%0.30528%0.283SS..Hα-helixtrans-65-42.4175.2-72.3-49.3000111.9A176 E177 C178 L182 S183 Q184 H224A176-N180 VanDerWaalsContact O-CG 3.31Å; A176-N180 PolarHBondContact O-N 2.92Å; A176-N180 PolarHBondContact O-ND2 3.49Å; E177-N180 PolarHBondContact O-N 2.99Å; C178-N180 VanDerWaalsContact C-N 3.32Å; C178-N180 PolarHBondContact O-N 2.89Å; N180-L182 VanDerWaalsContact C-N 3.34Å; N180-L182 PolarHBondContact O-N 3.49Å; N180-S183 WeakPolarHBondContact O-CB 3.4Å; N180-S183 PolarHBondContact O-N 3.28Å; N180-Q184 WeakPolarHBondContact O-CG 3.28Å; N180-Q184 PolarHBondContact O-N 3.3Å; N180-H224 PolarHBondContact ND2-NE2 3.24Å
181L95Very high93Very high69 Ų6953.5 Ų53.536%0.36127%0.27SS..Hα-helixtrans-62.8-40.8175.3-69.8172.5000111.9L100 E177 C178 Q184 R185L100-L181 HydrophobicContact CD2-CD1 3.96Å; E177-L181 WeakPolarHBondContact O-CG 3.34Å; E177-L181 PolarHBondContact O-N 3.08Å; C178-L181 PolarHBondContact O-N 2.97Å; L181-Q184 PolarHBondContact O-N 3.03Å; L181-R185 WeakPolarHBondContact O-CB 3.15Å; L181-R185 PolarHBondContact O-N 3.32Å
182L94.2Very high92.7Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-65-42.3174.8-68.7166.9000111.7F97 L101 C178 M179 N180 Q184 R185 L186 F192 V204 L231F97-L182 HydrophobicContact CD1-CD2 4.13Å; L101-L182 HydrophobicContact CD2-CD1 3.52Å; L101-L182 HydrophobicContact CG-CD1 4.25Å; C178-L182 WeakPolarHBondContact O-CG 3.36Å; C178-L182 PolarHBondContact O-N 3.14Å; M179-L182 PolarHBondContact O-N 3.47Å; N180-L182 VanDerWaalsContact C-N 3.34Å; N180-L182 PolarHBondContact O-N 3.49Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.28Å; L182-R185 PolarHBondContact O-N 2.76Å; L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 PolarHBondContact O-N 2.92Å; L182-F192 HydrophobicContact CB-CE1 4.32Å; L182-F192 HydrophobicContact CB-CZ 4.24Å; L182-F192 HydrophobicContact CD2-CE1 3.93Å; L182-F192 HydrophobicContact CD2-CZ 4.04Å; L182-F192 WeakPolarHBondContact O-CE1 3.34Å; L182-V204 HydrophobicContact CD2-CG2 4Å; L182-L231 HydrophobicContact CB-CD1 4.5Å; L182-L231 HydrophobicContact CB-CD2 4.37Å
183S94.8Very high92.4Very high18 Ų1853.8 Ų53.813%0.12627%0.271CS..Hα-helixtrans-60.2-43.6175.4179.40000111.2M179 N180 G187 N230M179-S183 WeakPolarHBondContact O-CB 3.06Å; M179-S183 PolarHBondContact O-N 3.2Å; N180-S183 WeakPolarHBondContact O-CB 3.4Å; N180-S183 PolarHBondContact O-N 3.28Å; S183-G187 PolarHBondContact O-N 3.39Å; S183-N230 PolarHBondContact O-ND2 2.98Å; S183-N230 PolarHBondContact OG-ND2 3.43Å; S183-N230 PolarHBondContact OG-OD1 3.49Å
184Q93.5Very high91.8Very high147 Ų14747.7 Ų47.769%0.68726%0.255SS*.Hα-helixtrans-63.7-41.9174.8-72.1174.68.200112.3N180 L181 L182N180-Q184 WeakPolarHBondContact O-CG 3.28Å; N180-Q184 PolarHBondContact O-N 3.3Å; L181-Q184 PolarHBondContact O-N 3.03Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.28Å
185R92.9Very high91.1Very high73 Ų7353.2 Ų53.228%0.27529%0.285SS..Hα-helixtrans-69.4-36.4-179.5-178.163.1-173.280.63.2112.7F97 L181 L182 F192 F193F97-R185 HydrophobicContact CE1-CB 4.38Å; F97-R185 HydrophobicContact CE1-CG 4.46Å; F97-R185 HydrophobicContact CE2-CG 3.77Å; F97-R185 HydrophobicContact CZ-CB 3.99Å; F97-R185 HydrophobicContact CZ-CG 3.72Å; L181-R185 WeakPolarHBondContact O-CB 3.15Å; L181-R185 PolarHBondContact O-N 3.32Å; L182-R185 PolarHBondContact O-N 2.76Å; R185-F192 HydrophobicContact CB-CD1 4.25Å; R185-F192 HydrophobicContact CB-CE1 4.21Å; R185-F192 HydrophobicContact CG-CD1 3.8Å; R185-F192 HydrophobicContact CG-CE1 4.26Å; R185-F192 VanDerWaalsContact CZ-O 3.26Å; R185-F192 PolarHBondContact NH1-O 3.06Å; R185-F192 PolarHBondContact NH2-O 3.24Å; R185-F193 VanDerWaalsContact NH2-CD1 3.27Å; R185-F193 VanDerWaalsContact NH2-CE1 3.27Å
186L92.3Very high90.5Very high2 Ų256.3 Ų56.31%0.0131%0.307CS..Hα-helixtrans-70.9-42.2175.9-177.367.8000111.1L182 S188 H189 F192 N230 L231 F234L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 PolarHBondContact O-N 2.92Å; L186-S188 PolarHBondContact O-N 3.49Å; L186-H189 WeakPolarHBondContact CD1-O 3.31Å; L186-H189 WeakPolarHBondContact O-CB 3.45Å; L186-H189 PolarHBondContact O-CD2 3.33Å; L186-H189 PolarHBondContact O-N 3.19Å; L186-F192 HydrophobicContact CB-CD1 4.46Å; L186-F192 HydrophobicContact CB-CE1 4Å; L186-F192 HydrophobicContact CB-CZ 4.15Å; L186-F192 HydrophobicContact CD1-CD2 4.36Å; L186-F192 HydrophobicContact CD1-CE2 4.34Å; L186-N230 HydrophobicContact CD2-CB 4.45Å; L186-L231 HydrophobicContact CD2-CD2 3.91Å; L186-F234 HydrophobicContact CD1-CD2 4.11Å; L186-F234 HydrophobicContact CD1-CE2 4.5Å; L186-F234 HydrophobicContact CD2-CB 3.75Å; L186-F234 HydrophobicContact CD2-CD2 4.23Å; L186-F234 HydrophobicContact CD2-CG 4.09Å
187G90.6Very high90.1Very high37 Ų3756.4 Ų56.438%0.38131%0.305SS..THydrogen-bonded Turntrans56-120-17900000111.4S183 N230S183-G187 PolarHBondContact O-N 3.39Å; G187-N230 PolarHBondContact O-ND2 3.47Å
188S87.7Confident89.8Confident119 Ų11950.9 Ų50.983%0.83228%0.28SS*.THydrogen-bonded Turntrans-105.47.5176.657.20000113.9L186L186-S188 PolarHBondContact O-N 3.49Å
189H88.1Confident89.3Confident110 Ų11051.1 Ų51.151%0.50928%0.281SS..  trans-78.6154.5-179.6-63.5-77.3000111.7L186 F191L186-H189 WeakPolarHBondContact CD1-O 3.31Å; L186-H189 WeakPolarHBondContact O-CB 3.45Å; L186-H189 PolarHBondContact O-CD2 3.33Å; L186-H189 PolarHBondContact O-N 3.19Å; H189-F191 VanDerWaalsContact CB-O 3.32Å; H189-F191 WeakPolarHBondContact CB-O 3.43Å
190K87.1Confident89.2Confident147 Ų14751.1 Ų51.164%0.63928%0.281SS*.SBendtrans-73.5-34.6176.8-68.5178.2-178.4170.10112.3F234K190-F234 WeakPolarHBondContact O-CD2 3.39Å
191F89.4Confident89Confident11 Ų1148.4 Ų48.45%0.04827%0.267CS..BIsolated β-bridgetrans-134.7163176.7-58.1-72.5000109.8H189 F193 G194 D195 P197 D201 F234 I238 Y242H189-F191 VanDerWaalsContact CB-O 3.32Å; H189-F191 WeakPolarHBondContact CB-O 3.43Å; F191-F193 VanDerWaalsContact C-N 3.28Å; F191-F193 PolarHBondContact O-N 2.73Å; F191-G194 WeakPolarHBondContact CB-O 3.35Å; F191-G194 PolarHBondContact N-O 2.7Å; F191-G194 PolarHBondContact O-N 3.34Å; F191-D195 WeakPolarHBondContact CD2-O 3.4Å; F191-D195 VanDerWaalsContact CE2-O 3.31Å; F191-D195 WeakPolarHBondContact CE2-O 3.26Å; F191-P197 HydrophobicContact CD1-CB 4.06Å; F191-P197 HydrophobicContact CE1-CB 3.92Å; F191-P197 HydrophobicContact CZ-CB 4.31Å; F191-D201 VanDerWaalsContact CA-OD1 3.28Å; F191-D201 WeakPolarHBondContact CA-OD1 3.38Å; F191-D201 WeakPolarHBondContact CB-OD1 3.21Å; F191-D201 HydrophobicContact CD1-CB 4.3Å; F191-F234 HydrophobicContact CD1-CE2 4.13Å; F191-I238 HydrophobicContact CE1-CD1 4.46Å; F191-I238 HydrophobicContact CE1-CG1 4.18Å; F191-Y242 HydrophobicContact CE1-CE2 4.11Å; F191-Y242 HydrophobicContact CZ-CE2 4.07Å; F191-Y242 VanDerWaalsContact CZ-OH 3.32Å; F191-Y242 WeakPolarHBondContact CZ-OH 3.4Å
192F88.3Confident88.7Confident2 Ų245.1 Ų45.11%0.00925%0.25CC..THydrogen-bonded Turntrans-62.5-30.9-174.9-80.1-88.8000114.1L182 R185 L186 L200 D201 V204 F234L182-F192 HydrophobicContact CB-CE1 4.32Å; L182-F192 HydrophobicContact CB-CZ 4.24Å; L182-F192 HydrophobicContact CD2-CE1 3.93Å; L182-F192 HydrophobicContact CD2-CZ 4.04Å; L182-F192 WeakPolarHBondContact O-CE1 3.34Å; R185-F192 HydrophobicContact CB-CD1 4.25Å; R185-F192 HydrophobicContact CB-CE1 4.21Å; R185-F192 HydrophobicContact CG-CD1 3.8Å; R185-F192 HydrophobicContact CG-CE1 4.26Å; R185-F192 VanDerWaalsContact CZ-O 3.26Å; R185-F192 PolarHBondContact NH1-O 3.06Å; R185-F192 PolarHBondContact NH2-O 3.24Å; L186-F192 HydrophobicContact CB-CD1 4.46Å; L186-F192 HydrophobicContact CB-CE1 4Å; L186-F192 HydrophobicContact CB-CZ 4.15Å; L186-F192 HydrophobicContact CD1-CD2 4.36Å; L186-F192 HydrophobicContact CD1-CE2 4.34Å; F192-L200 HydrophobicContact CB-CD2 3.76Å; F192-L200 HydrophobicContact CB-CG 4.38Å; F192-L200 HydrophobicContact CD1-CD2 3.92Å; F192-L200 HydrophobicContact CD2-CD2 4.34Å; F192-L200 HydrophobicContact CD2-CG 4.26Å; F192-L200 HydrophobicContact CG-CD2 3.74Å; F192-L200 HydrophobicContact CG-CG 4.16Å; F192-D201 VanDerWaalsContact CD2-OD1 3.26Å; F192-D201 WeakPolarHBondContact CD2-OD1 3.42Å; F192-D201 PolarHBondContact N-OD1 3.49Å; F192-V204 HydrophobicContact CD2-CG2 4.36Å; F192-V204 HydrophobicContact CE2-CB 3.87Å; F192-V204 HydrophobicContact CE2-CG1 3.77Å; F192-V204 HydrophobicContact CE2-CG2 3.64Å; F192-V204 HydrophobicContact CZ-CB 4.34Å; F192-V204 HydrophobicContact CZ-CG1 3.96Å; F192-V204 HydrophobicContact CZ-CG2 3.84Å; F192-F234 HydrophobicContact CD2-CE2 4.44Å; F192-F234 HydrophobicContact CD2-CZ 4.3Å; F192-F234 HydrophobicContact CE2-CE1 4.33Å; F192-F234 HydrophobicContact CE2-CE2 4.34Å; F192-F234 AromaticContact CE2-CZ 4Å; F192-F234 HydrophobicContact CE2-CZ 4Å
193F86.6Confident88.6Confident30 Ų3046.5 Ų46.513%0.13226%0.255CS..THydrogen-bonded Turntrans-116.627.1-178.9-60.9-72.8000113.4L86 E90 D93 R185 F191 L200L86-F193 HydrophobicContact CD1-CD2 4.19Å; L86-F193 HydrophobicContact CD1-CE2 4.27Å; L86-F193 HydrophobicContact CD2-CB 3.52Å; L86-F193 HydrophobicContact CD2-CD1 4.23Å; L86-F193 HydrophobicContact CD2-CD2 3.68Å; L86-F193 HydrophobicContact CD2-CE2 4.44Å; L86-F193 HydrophobicContact CD2-CG 3.55Å; E90-F193 HydrophobicContact CB-CD1 3.67Å; E90-F193 HydrophobicContact CB-CE1 3.57Å; E90-F193 HydrophobicContact CB-CG 4.47Å; E90-F193 HydrophobicContact CB-CZ 4.31Å; E90-F193 HydrophobicContact CG-CD1 3.62Å; E90-F193 HydrophobicContact CG-CE1 3.8Å; E90-F193 VanDerWaalsContact O-CZ 3.27Å; E90-F193 WeakPolarHBondContact O-CZ 3.46Å; D93-F193 HydrophobicContact CB-CE1 4.31Å; D93-F193 HydrophobicContact CB-CZ 4.32Å; R185-F193 VanDerWaalsContact NH2-CD1 3.27Å; R185-F193 VanDerWaalsContact NH2-CE1 3.27Å; F191-F193 VanDerWaalsContact C-N 3.28Å; F191-F193 PolarHBondContact O-N 2.73Å; F193-L200 HydrophobicContact CE2-CB 4.04Å; F193-L200 HydrophobicContact CE2-CD2 3.72Å; F193-L200 HydrophobicContact CZ-CD2 4.06Å
194G82.1Confident88.6Confident22 Ų2245.7 Ų45.723%0.22725%0.249CC..BIsolated β-bridgetrans116.4-125173.400000113.4F191F191-G194 WeakPolarHBondContact CB-O 3.35Å; F191-G194 PolarHBondContact N-O 2.7Å; F191-G194 PolarHBondContact O-N 3.34Å
195D81Confident88.5Confident136 Ų13638.7 Ų38.773%0.72722%0.217SC*.SBendtrans-100.4-13.4-171.7-71.6-44.6000114.4F191F191-D195 WeakPolarHBondContact CD2-O 3.4Å; F191-D195 VanDerWaalsContact CE2-O 3.31Å; F191-D195 WeakPolarHBondContact CE2-O 3.26Å
196S81.8Confident88.4Confident66 Ų6635.2 Ų35.246%0.46220%0.204SC..SBendtrans-102.6137.7176.2-68.20000110.9
197P86.4Confident88.4Confident19 Ų1935.2 Ų35.212%0.12320%0.203CC..  trans-67.9138.7173.830.4-35.6000110.3F28 K32 F33 F191 Y242F28-P197 HydrophobicContact CE1-CB 4.06Å; F28-P197 HydrophobicContact CZ-CB 3.83Å; K32-P197 HydrophobicContact CD-CB 4.17Å; K32-P197 HydrophobicContact CD-CG 3.55Å; K32-P197 HydrophobicContact CG-CB 4.48Å; K32-P197 HydrophobicContact CG-CG 4.13Å; F33-P197 HydrophobicContact CZ-CG 4.43Å; F33-P197 WeakPolarHBondContact CZ-O 3.38Å; F191-P197 HydrophobicContact CD1-CB 4.06Å; F191-P197 HydrophobicContact CE1-CB 3.92Å; F191-P197 HydrophobicContact CZ-CB 4.31Å; P197-Y242 WeakPolarHBondContact CG-OH 3.43Å
198S87.9Confident88.5Confident2 Ų233.4 Ų33.41%0.01419%0.185CC..  trans-111.3177.5177.568.10000112.2L200 D201 A202S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 3.39Å; S198-L200 PolarHBondContact OG-N 3.48Å; S198-D201 WeakPolarHBondContact CB-OD2 3.32Å; S198-D201 PolarHBondContact N-OD2 3.25Å; S198-D201 PolarHBondContact O-N 3.29Å; S198-D201 PolarHBondContact OG-N 3.46Å; S198-D201 PolarHBondContact OG-OD2 2.93Å; S198-A202 PolarHBondContact O-N 2.92Å
199S86.9Confident88.7Confident6 Ų627.8 Ų27.84%0.04215%0.146CC..Hα-helixtrans-59.9-37.9169.561.30000112.1D83 S94 D201 A202 Y203D83-S199 WeakPolarHBondContact OD1-CB 3.38Å; D83-S199 PolarHBondContact OD1-N 3.49Å; D83-S199 PolarHBondContact OD1-OG 2.94Å; D83-S199 PolarHBondContact OD2-OG 3.47Å; D83-S199 VanDerWaalsContact OD2-OG 3.09Å; S94-S199 PolarHBondContact OG-OG 3.33Å; S199-D201 VanDerWaalsContact C-N 3.34Å; S199-D201 PolarHBondContact O-N 3.43Å; S199-A202 VanDerWaalsContact O-CB 3.29Å; S199-A202 WeakPolarHBondContact O-CB 3.34Å; S199-A202 PolarHBondContact O-N 3.36Å; S199-A202 VanDerWaalsContact O-N 3.12Å; S199-Y203 WeakPolarHBondContact O-CD2 3.24Å; S199-Y203 PolarHBondContact O-N 2.93Å
200L90.5Very high88.8Confident0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-59.6-44.7177.9178.361000111.5F97 I98 L101 F192 F193 S198 A202 Y203 V204F97-L200 HydrophobicContact CB-CD1 3.56Å; F97-L200 HydrophobicContact CB-CD2 4.01Å; F97-L200 HydrophobicContact CB-CG 4.47Å; F97-L200 HydrophobicContact CD2-CD2 4.1Å; F97-L200 HydrophobicContact CG-CD2 4.33Å; I98-L200 HydrophobicContact CG1-CD1 3.95Å; L101-L200 HydrophobicContact CD1-CD1 4.23Å; F192-L200 HydrophobicContact CB-CD2 3.76Å; F192-L200 HydrophobicContact CB-CG 4.38Å; F192-L200 HydrophobicContact CD1-CD2 3.92Å; F192-L200 HydrophobicContact CD2-CD2 4.34Å; F192-L200 HydrophobicContact CD2-CG 4.26Å; F192-L200 HydrophobicContact CG-CD2 3.74Å; F192-L200 HydrophobicContact CG-CG 4.16Å; F193-L200 HydrophobicContact CE2-CB 4.04Å; F193-L200 HydrophobicContact CE2-CD2 3.72Å; F193-L200 HydrophobicContact CZ-CD2 4.06Å; S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 3.39Å; S198-L200 PolarHBondContact OG-N 3.48Å; L200-A202 PolarHBondContact O-N 2.95Å; L200-Y203 PolarHBondContact O-N 3.24Å; L200-Y203 VanDerWaalsContact O-N 3.17Å; L200-V204 HydrophobicContact CD1-CG2 3.91Å; L200-V204 HydrophobicContact CG-CG2 4.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.42Å; L200-V204 PolarHBondContact O-N 3Å
201D91.8Very high89Confident0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-58.1-39.4177.3-62.9-79.4000111.4F28 F191 F192 S198 S199 F205 F234F28-D201 HydrophobicContact CZ-CB 4.45Å; F191-D201 VanDerWaalsContact CA-OD1 3.28Å; F191-D201 WeakPolarHBondContact CA-OD1 3.38Å; F191-D201 WeakPolarHBondContact CB-OD1 3.21Å; F191-D201 HydrophobicContact CD1-CB 4.3Å; F192-D201 VanDerWaalsContact CD2-OD1 3.26Å; F192-D201 WeakPolarHBondContact CD2-OD1 3.42Å; F192-D201 PolarHBondContact N-OD1 3.49Å; S198-D201 WeakPolarHBondContact CB-OD2 3.32Å; S198-D201 PolarHBondContact N-OD2 3.25Å; S198-D201 PolarHBondContact O-N 3.29Å; S198-D201 PolarHBondContact OG-N 3.46Å; S198-D201 PolarHBondContact OG-OD2 2.93Å; S199-D201 VanDerWaalsContact C-N 3.34Å; S199-D201 PolarHBondContact O-N 3.43Å; D201-F205 WeakPolarHBondContact O-CB 3.48Å; D201-F205 PolarHBondContact O-N 3.21Å; D201-F234 HydrophobicContact CB-CE2 4.34Å; D201-F234 HydrophobicContact CB-CZ 3.92Å; D201-F234 VanDerWaalsContact OD1-CE2 3.31Å; D201-F234 WeakPolarHBondContact OD1-CE2 3.34Å
202A89.9Confident89Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-64.1-45.6176.900000112.3V25 F28 I29 S198 S199 L200 G206V25-A202 HydrophobicContact CG1-CB 4.23Å; F28-A202 HydrophobicContact CB-CB 4.37Å; F28-A202 HydrophobicContact CD1-CB 3.3Å; F28-A202 HydrophobicContact CE1-CB 3.82Å; F28-A202 HydrophobicContact CG-CB 4.13Å; I29-A202 HydrophobicContact CD1-CB 4.02Å; I29-A202 HydrophobicContact CG1-CB 3.56Å; S198-A202 PolarHBondContact O-N 2.92Å; S199-A202 VanDerWaalsContact O-CB 3.29Å; S199-A202 WeakPolarHBondContact O-CB 3.34Å; S199-A202 PolarHBondContact O-N 3.36Å; S199-A202 VanDerWaalsContact O-N 3.12Å; L200-A202 PolarHBondContact O-N 2.95Å; A202-G206 PolarHBondContact O-N 3.24Å
203Y91.2Very high89Confident30 Ų3019.5 Ų19.512%0.11811%0.109CC..Hα-helixtrans-64.6-49.8177.6-88.6-97.5000111.1V25 I72 I98 S199 L200 F205 G206 H207V25-Y203 HydrophobicContact CG1-CD2 3.81Å; V25-Y203 HydrophobicContact CG1-CE2 3.85Å; V25-Y203 HydrophobicContact CG1-CG 4.17Å; I72-Y203 HydrophobicContact CD1-CE2 3.81Å; I72-Y203 WeakPolarHBondContact CD1-OH 3.34Å; I98-Y203 HydrophobicContact CD1-CD2 4.06Å; I98-Y203 HydrophobicContact CD1-CE2 4.35Å; I98-Y203 HydrophobicContact CD1-CG 4.43Å; I98-Y203 HydrophobicContact CG1-CD2 4.31Å; I98-Y203 HydrophobicContact CG1-CG 4.17Å; I98-Y203 HydrophobicContact CG2-CD1 4Å; I98-Y203 HydrophobicContact CG2-CE1 4.01Å; I98-Y203 HydrophobicContact CG2-CG 4.36Å; S199-Y203 WeakPolarHBondContact O-CD2 3.24Å; S199-Y203 PolarHBondContact O-N 2.93Å; L200-Y203 PolarHBondContact O-N 3.24Å; L200-Y203 VanDerWaalsContact O-N 3.17Å; Y203-F205 VanDerWaalsContact C-N 3.34Å; Y203-F205 PolarHBondContact O-N 3.41Å; Y203-G206 PolarHBondContact O-N 2.87Å; Y203-H207 AromaticContact CD1-CE1 3.93Å; Y203-H207 PolarHBondContact O-N 2.78Å; Y203-H207 VanDerWaalsContact O-N 3.14Å; Y203-H207 PolarHBondContact O-ND1 2.97Å
204V93.8Very high88.9Confident0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-58.2-48.3178.4174.70000110.5L101 L182 F192 L200 G206 H207 L208 F234L101-V204 HydrophobicContact CD1-CG2 3.67Å; L182-V204 HydrophobicContact CD2-CG2 4Å; F192-V204 HydrophobicContact CD2-CG2 4.36Å; F192-V204 HydrophobicContact CE2-CB 3.87Å; F192-V204 HydrophobicContact CE2-CG1 3.77Å; F192-V204 HydrophobicContact CE2-CG2 3.64Å; F192-V204 HydrophobicContact CZ-CB 4.34Å; F192-V204 HydrophobicContact CZ-CG1 3.96Å; F192-V204 HydrophobicContact CZ-CG2 3.84Å; L200-V204 HydrophobicContact CD1-CG2 3.91Å; L200-V204 HydrophobicContact CG-CG2 4.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.42Å; L200-V204 PolarHBondContact O-N 3Å; V204-G206 PolarHBondContact O-N 2.76Å; V204-H207 PolarHBondContact O-N 3.39Å; V204-L208 HydrophobicContact CG1-CD1 3.5Å; V204-L208 VanDerWaalsContact CG1-CD1 3.5Å; V204-L208 HydrophobicContact CG1-CG 4.15Å; V204-L208 WeakPolarHBondContact O-CB 3.1Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.38Å; V204-F234 HydrophobicContact CB-CE1 4.29Å; V204-F234 HydrophobicContact CG1-CD1 4.47Å; V204-F234 HydrophobicContact CG1-CE1 3.88Å
205F92.8Very high89.1Confident0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-59.3-48.4177171.9-105.7000112.3L24 F28 D201 Y203 H207 L208 A209 F234 C235 I238 L239 F243L24-F205 HydrophobicContact CD2-CE1 4.47Å; F28-F205 HydrophobicContact CB-CD1 4.3Å; F28-F205 HydrophobicContact CD2-CD1 4.03Å; F28-F205 HydrophobicContact CD2-CE1 4.47Å; F28-F205 HydrophobicContact CG-CD1 4.42Å; D201-F205 WeakPolarHBondContact O-CB 3.48Å; D201-F205 PolarHBondContact O-N 3.21Å; Y203-F205 VanDerWaalsContact C-N 3.34Å; Y203-F205 PolarHBondContact O-N 3.41Å; F205-H207 PolarHBondContact O-N 2.85Å; F205-L208 PolarHBondContact O-N 2.98Å; F205-A209 HydrophobicContact CD2-CB 3.85Å; F205-A209 HydrophobicContact CE2-CB 3.5Å; F205-A209 VanDerWaalsContact CE2-CB 3.5Å; F205-A209 HydrophobicContact CG-CB 4.5Å; F205-A209 HydrophobicContact CZ-CB 3.89Å; F205-A209 WeakPolarHBondContact O-CB 3.39Å; F205-A209 PolarHBondContact O-N 2.95Å; F205-F234 HydrophobicContact CB-CE1 4.29Å; F205-C235 HydrophobicContact CD2-CB 4.43Å; F205-I238 HydrophobicContact CB-CD1 4Å; F205-I238 HydrophobicContact CB-CG2 4.49Å; F205-I238 HydrophobicContact CD1-CG2 3.99Å; F205-I238 HydrophobicContact CD2-CB 4.02Å; F205-I238 HydrophobicContact CD2-CD1 4.3Å; F205-I238 HydrophobicContact CD2-CG2 3.45Å; F205-I238 VanDerWaalsContact CD2-CG2 3.45Å; F205-I238 HydrophobicContact CE1-CG2 4.06Å; F205-I238 HydrophobicContact CE2-CB 4.26Å; F205-I238 HydrophobicContact CE2-CG2 3.54Å; F205-I238 HydrophobicContact CG-CD1 4.29Å; F205-I238 HydrophobicContact CG-CG2 3.69Å; F205-I238 HydrophobicContact CZ-CG2 3.84Å; F205-L239 HydrophobicContact CE2-CD1 4.39Å; F205-L239 HydrophobicContact CE2-CD2 4.02Å; F205-L239 HydrophobicContact CE2-CG 3.77Å; F205-L239 HydrophobicContact CZ-CD2 3.62Å; F205-L239 HydrophobicContact CZ-CG 3.92Å; F205-F243 AromaticContact CE1-CE2 3.98Å; F205-F243 HydrophobicContact CE1-CE2 3.98Å; F205-F243 HydrophobicContact CZ-CE2 4.36Å
206G90.9Very high89.3Confident0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-62.1-28.6-177.200000113.9T21 A202 Y203 V204 P210T21-G206 WeakPolarHBondContact CA-O 3.26Å; T21-G206 WeakPolarHBondContact CG2-O 3.1Å; A202-G206 PolarHBondContact O-N 3.24Å; Y203-G206 PolarHBondContact O-N 2.87Å; V204-G206 PolarHBondContact O-N 2.76Å; G206-P210 WeakPolarHBondContact O-CD 3.45Å; G206-P210 WeakPolarHBondContact O-CG 3.12Å
207H92.2Very high89.3Confident2 Ų220.2 Ų20.21%0.00910%0.098CC..Hα-helixtrans-89.3-39.6178.6-68.782.3000112.9L105 M106 L109 Y203 V204 F205L105-H207 HydrophobicContact CD2-CB 3.83Å; M106-H207 WeakPolarHBondContact CE-NE2 3.11Å; L109-H207 HydrophobicContact CD1-CB 3.79Å; Y203-H207 AromaticContact CD1-CE1 3.93Å; Y203-H207 PolarHBondContact O-N 2.78Å; Y203-H207 VanDerWaalsContact O-N 3.14Å; Y203-H207 PolarHBondContact O-ND1 2.97Å; V204-H207 PolarHBondContact O-N 3.39Å; F205-H207 PolarHBondContact O-N 2.85Å
208L92.6Very high89.1Confident0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-81.8-34.8-177.2-64.4-176.3000113.3L105 M179 V204 F205 I211 L212 L225 L231L105-L208 HydrophobicContact CD2-CD2 3.79Å; M179-L208 HydrophobicContact CG-CD2 4.1Å; M179-L208 HydrophobicContact SD-CD2 4.03Å; V204-L208 HydrophobicContact CG1-CD1 3.5Å; V204-L208 VanDerWaalsContact CG1-CD1 3.5Å; V204-L208 HydrophobicContact CG1-CG 4.15Å; V204-L208 WeakPolarHBondContact O-CB 3.1Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.38Å; F205-L208 PolarHBondContact O-N 2.98Å; L208-I211 PolarHBondContact O-N 3.43Å; L208-L212 PolarHBondContact O-N 3.07Å; L208-L225 HydrophobicContact CB-CD2 4.24Å; L208-L225 HydrophobicContact CD1-CD1 4.19Å; L208-L225 HydrophobicContact CD2-CD1 3.99Å; L208-L225 HydrophobicContact CD2-CD2 4.2Å; L208-L231 HydrophobicContact CD1-CB 4.33Å; L208-L231 HydrophobicContact CD1-CD1 4.13Å; L208-L231 HydrophobicContact CD1-CD2 4.3Å
209A91.5Very high88.9Confident0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-61.6-42.4-174.500000113.6L16 F205 I211 L212 K213L16-A209 HydrophobicContact CD1-CB 4.47Å; L16-A209 HydrophobicContact CD2-CB 3.83Å; F205-A209 HydrophobicContact CD2-CB 3.85Å; F205-A209 HydrophobicContact CE2-CB 3.5Å; F205-A209 VanDerWaalsContact CE2-CB 3.5Å; F205-A209 HydrophobicContact CG-CB 4.5Å; F205-A209 HydrophobicContact CZ-CB 3.89Å; F205-A209 WeakPolarHBondContact O-CB 3.39Å; F205-A209 PolarHBondContact O-N 2.95Å; A209-I211 PolarHBondContact O-N 3.21Å; A209-L212 PolarHBondContact O-N 3.14Å; A209-K213 PolarHBondContact O-N 3.02Å
210P90.3Very high89Confident2 Ų225.5 Ų25.51%0.01312%0.123CC..Hα-helixtrans-58.2-43.5173.4-27.137.2000113L16 T21 L24 F113 G206 L212 C214L16-P210 HydrophobicContact CD1-CG 4.44Å; T21-P210 HydrophobicContact CG2-CG 4.13Å; L24-P210 HydrophobicContact CD1-CG 3.6Å; F113-P210 HydrophobicContact CE2-CB 4.34Å; F113-P210 HydrophobicContact CZ-CB 4.05Å; G206-P210 WeakPolarHBondContact O-CD 3.45Å; G206-P210 WeakPolarHBondContact O-CG 3.12Å; P210-L212 PolarHBondContact O-N 2.89Å; P210-C214 WeakPolarHBondContact O-CB 3.27Å; P210-C214 PolarHBondContact O-N 3.38Å
211I90.9Very high88.9Confident0 Ų025.7 Ų25.70%012%0.124CC..Hα-helixtrans-63-44.8178.3-54.4172.4000110.2L105 L109 F113 L208 A209 L221 Q222 L225L105-I211 HydrophobicContact CD1-CD1 4.47Å; L109-I211 HydrophobicContact CD2-CD1 3.38Å; L109-I211 HydrophobicContact CD2-CG1 3.26Å; L109-I211 HydrophobicContact CG-CD1 4.02Å; L109-I211 HydrophobicContact CG-CG1 4.4Å; F113-I211 HydrophobicContact CE2-CG1 4.4Å; L208-I211 PolarHBondContact O-N 3.43Å; A209-I211 PolarHBondContact O-N 3.21Å; I211-L221 HydrophobicContact CD1-CD2 3.8Å; I211-L221 HydrophobicContact CD1-CG 4.36Å; I211-L221 HydrophobicContact CG2-CG 4.5Å; I211-Q222 HydrophobicContact CG2-CB 3.96Å; I211-Q222 HydrophobicContact CG2-CG 4.46Å; I211-Q222 WeakPolarHBondContact O-CG 3.45Å; I211-Q222 PolarHBondContact O-NE2 2.78Å; I211-L225 HydrophobicContact CB-CD2 3.98Å; I211-L225 HydrophobicContact CG2-CD2 4.01Å
212L89.6Confident88.9Confident20 Ų2026.7 Ų26.711%0.10513%0.129CC..Hα-helixtrans-68.9-41-174-174.364.7000112.5L208 A209 P210 Q222 L225 K226 C235L208-L212 PolarHBondContact O-N 3.07Å; A209-L212 PolarHBondContact O-N 3.14Å; P210-L212 PolarHBondContact O-N 2.89Å; L212-Q222 PolarHBondContact O-NE2 2.87Å; L212-L225 HydrophobicContact CB-CD2 4Å; L212-L225 HydrophobicContact CD1-CD2 4.44Å; L212-K226 HydrophobicContact CD1-CG 3.97Å; L212-C235 HydrophobicContact CD2-CB 3.77Å
213K87.6Confident89Confident74 Ų7433.1 Ų33.132%0.32216%0.159SC..Hα-helixtrans-90.5-28.9-174-63.5-56-174.6-170.20114W14 L16 A209 L239W14-K213 HydrophobicContact CB-CB 4.18Å; L16-K213 HydrophobicContact CD1-CB 4.12Å; L16-K213 HydrophobicContact CD1-CG 4.38Å; L16-K213 HydrophobicContact CD2-CB 4.31Å; L16-K213 HydrophobicContact CD2-CG 3.69Å; L16-K213 HydrophobicContact CG-CB 4.07Å; L16-K213 HydrophobicContact CG-CG 3.99Å; A209-K213 PolarHBondContact O-N 3.02Å; K213-L239 HydrophobicContact CG-CD1 4.5Å
214C86.3Confident89.1Confident0 Ų034.2 Ų34.20%017%0.165CC..SBendtrans-70.3134-178-168.40000111.5W14 F113 V123 P210 L216 Q222W14-C214 HydrophobicContact CD2-CB 4.2Å; W14-C214 HydrophobicContact CE3-CB 3.77Å; W14-C214 HydrophobicContact CZ3-CB 3.92Å; F113-C214 HydrophobicContact CE1-CB 4.21Å; F113-C214 HydrophobicContact CZ-CB 4.4Å; V123-C214 WeakPolarHBondContact CG1-SG 3.43Å; P210-C214 WeakPolarHBondContact O-CB 3.27Å; P210-C214 PolarHBondContact O-N 3.38Å; C214-L216 HydrophobicContact CB-CD2 4.47Å; C214-L216 HydrophobicContact CB-CG 4.23Å; C214-L216 PolarHBondContact O-N 3.05Å; C214-L216 VanDerWaalsContact O-N 3.14Å; C214-Q222 PolarHBondContact O-NE2 3Å
215K84.6Confident89Confident189 Ų18934.2 Ų34.282%0.82217%0.165SC*.  trans-84.984.6175.2-67-177.2-178.5177.40109.5
216L85.3Confident88.9Confident16 Ų1639.1 Ų39.18%0.08419%0.186CC..  trans-83.8132.3-178.2-65170000111.8T112 F113 N119 C214T112-L216 HydrophobicContact CG2-CD1 3.64Å; F113-L216 HydrophobicContact CD1-CD2 4.19Å; F113-L216 HydrophobicContact CE1-CD1 4.42Å; F113-L216 HydrophobicContact CE1-CD2 3.85Å; F113-L216 HydrophobicContact CZ-CD1 4.35Å; N119-L216 HydrophobicContact CB-CD2 4.24Å; C214-L216 HydrophobicContact CB-CD2 4.47Å; C214-L216 HydrophobicContact CB-CG 4.23Å; C214-L216 PolarHBondContact O-N 3.05Å; C214-L216 VanDerWaalsContact O-N 3.14Å
217P82.2Confident89Confident64 Ų6442.7 Ų42.742%0.41621%0.211SC..SBendtrans-58.6-46.8171.6-26.132.4000113.7K118 N119 E122 V123K118-P217 HydrophobicContact CB-CB 4.42Å; N119-P217 VanDerWaalsContact OD1-CD 3.26Å; N119-P217 WeakPolarHBondContact OD1-CD 3.32Å; E122-P217 HydrophobicContact CB-CG 4.29Å; E122-P217 WeakPolarHBondContact OE2-CG 3.1Å; V123-P217 HydrophobicContact CG2-CG 4.33Å
218N82.4Confident89.1Confident27 Ų2743.6 Ų43.614%0.14422%0.216CC..SBendtrans-96.3100.2168.2-175.61.1000108.8E116 N119 E168 K220E116-N218 HydrophobicContact CG-CB 4.21Å; E116-N218 PolarHBondContact OE2-ND2 3.23Å; N119-N218 PolarHBondContact ND2-O 3.36Å; N119-N218 PolarHBondContact OD1-N 3.29Å; E168-N218 PolarHBondContact OE1-ND2 3.06Å; N218-K220 WeakPolarHBondContact OD1-CG 3.3Å
219G84.2Confident89.1Confident11 Ų1149 Ų4911%0.11324%0.244CC..  trans-104.619.2-172.800000115.6L221 Q222 Q223G219-L221 PolarHBondContact O-N 3.2Å; G219-Q222 CarbonylContact O-C 3.55Å; G219-Q222 WeakPolarHBondContact O-CA 3.28Å; G219-Q222 WeakPolarHBondContact O-CB 3.39Å; G219-Q222 PolarHBondContact O-N 2.9Å; G219-Q223 WeakPolarHBondContact O-CG 3.43Å; G219-Q223 PolarHBondContact O-N 3.17Å
220K88.3Confident89.2Confident100 Ų10051 Ų5144%0.43526%0.255SS..Hα-helixtrans-52.2-50.2-176.7-68.8175.7-165.2163.80112.7E168 Y172 N218 Q222 Q223 H224E168-K220 WeakPolarHBondContact OE1-CD 3.3Å; E168-K220 WeakPolarHBondContact OE1-CE 3.4Å; E168-K220 IonicContact OE1-NZ 3.55Å; E168-K220 PolarHBondContact OE1-NZ 2.94Å; E168-K220 IonicContact OE2-NZ 3.34Å; E168-K220 PolarHBondContact OE2-NZ 2.89Å; Y172-K220 HydrophobicContact CD2-CB 3.91Å; Y172-K220 HydrophobicContact CD2-CD 4.2Å; Y172-K220 HydrophobicContact CE2-CB 3.82Å; Y172-K220 HydrophobicContact CE2-CD 4.1Å; N218-K220 WeakPolarHBondContact OD1-CG 3.3Å; K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 2.89Å; K220-Q223 PolarHBondContact O-N 3.29Å; K220-H224 PolarHBondContact O-N 2.86Å
221L88.8Confident89.3Confident5 Ų550.9 Ų50.93%0.02626%0.255CS..Hα-helixtrans-64.1-39.7177.8-168.868000111.9A108 Y172 A175 M179 I211 G219 H224 L225A108-L221 HydrophobicContact CB-CD2 4.27Å; Y172-L221 HydrophobicContact CD1-CB 4.5Å; Y172-L221 HydrophobicContact CD1-CD1 4.29Å; Y172-L221 HydrophobicContact CE1-CB 4.37Å; A175-L221 HydrophobicContact CB-CD1 3.84Å; M179-L221 HydrophobicContact CE-CD1 3.43Å; M179-L221 VanDerWaalsContact CE-CD1 3.43Å; M179-L221 HydrophobicContact CE-CG 4.17Å; I211-L221 HydrophobicContact CD1-CD2 3.8Å; I211-L221 HydrophobicContact CD1-CG 4.36Å; I211-L221 HydrophobicContact CG2-CG 4.5Å; G219-L221 PolarHBondContact O-N 3.2Å; L221-H224 PolarHBondContact O-N 2.92Å; L221-L225 PolarHBondContact O-N 3.48Å
222Q91.3Very high89.4Confident20 Ų2051.6 Ų51.69%0.09326%0.26CS..Hα-helixtrans-65.1-39176.7-177.4-175.67300112.2I211 L212 C214 G219 K220 H224 L225 K226I211-Q222 HydrophobicContact CG2-CB 3.96Å; I211-Q222 HydrophobicContact CG2-CG 4.46Å; I211-Q222 WeakPolarHBondContact O-CG 3.45Å; I211-Q222 PolarHBondContact O-NE2 2.78Å; L212-Q222 PolarHBondContact O-NE2 2.87Å; C214-Q222 PolarHBondContact O-NE2 3Å; G219-Q222 CarbonylContact O-C 3.55Å; G219-Q222 WeakPolarHBondContact O-CA 3.28Å; G219-Q222 WeakPolarHBondContact O-CB 3.39Å; G219-Q222 PolarHBondContact O-N 2.9Å; K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 2.89Å; Q222-H224 VanDerWaalsContact C-N 3.34Å; Q222-L225 PolarHBondContact O-N 2.85Å; Q222-K226 VanDerWaalsContact CD-NZ 3.26Å; Q222-K226 HydrophobicContact CG-CD 4.05Å; Q222-K226 HydrophobicContact CG-CG 4.41Å; Q222-K226 WeakPolarHBondContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CG 3.2Å; Q222-K226 PolarHBondContact O-N 3Å
223Q92.2Very high89.5Confident135 Ų13555.1 Ų55.163%0.63128%0.279SS*.Hα-helixtrans-63.5-42177.6-74.1173.3-6.600111.1G219 K220 K226 S227G219-Q223 WeakPolarHBondContact O-CG 3.43Å; G219-Q223 PolarHBondContact O-N 3.17Å; K220-Q223 PolarHBondContact O-N 3.29Å; Q223-K226 PolarHBondContact O-N 3.46Å; Q223-S227 PolarHBondContact O-N 2.88Å
224H92.5Very high89.8Confident54 Ų5451.9 Ų51.925%0.2526%0.264CS..Hα-helixtrans-64.1-45.3175.1-170.363.1000111.7A176 N180 K220 L221 Q222 K226 S227A176-H224 VanDerWaalsContact CB-CD2 3.49Å; A176-H224 WeakPolarHBondContact CB-CD2 3.33Å; A176-H224 WeakPolarHBondContact CB-NE2 3.48Å; N180-H224 PolarHBondContact ND2-NE2 3.24Å; K220-H224 PolarHBondContact O-N 2.86Å; L221-H224 PolarHBondContact O-N 2.92Å; Q222-H224 VanDerWaalsContact C-N 3.34Å; H224-K226 VanDerWaalsContact C-N 3.3Å; H224-K226 PolarHBondContact O-N 3.42Å; H224-S227 WeakPolarHBondContact O-CB 3.45Å; H224-S227 PolarHBondContact O-N 3.19Å; H224-S227 PolarHBondContact O-OG 2.87Å
225L92Very high90Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-59.8-40.1175.4-179.558.7000112.4M179 L208 I211 L212 L221 Q222 S227 L228 L231 S232M179-L225 HydrophobicContact SD-CB 3.96Å; M179-L225 HydrophobicContact SD-CD1 3.87Å; M179-L225 HydrophobicContact SD-CG 4.39Å; L208-L225 HydrophobicContact CB-CD2 4.24Å; L208-L225 HydrophobicContact CD1-CD1 4.19Å; L208-L225 HydrophobicContact CD2-CD1 3.99Å; L208-L225 HydrophobicContact CD2-CD2 4.2Å; I211-L225 HydrophobicContact CB-CD2 3.98Å; I211-L225 HydrophobicContact CG2-CD2 4.01Å; L212-L225 HydrophobicContact CB-CD2 4Å; L212-L225 HydrophobicContact CD1-CD2 4.44Å; L221-L225 PolarHBondContact O-N 3.48Å; Q222-L225 PolarHBondContact O-N 2.85Å; L225-S227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 3.27Å; L225-L228 VanDerWaalsContact O-N 3.09Å; L225-L231 HydrophobicContact CD1-CB 4.04Å; L225-L231 HydrophobicContact CD1-CD1 4.16Å; L225-S232 PolarHBondContact O-OG 2.97Å
226K91.6Very high90.3Very high103 Ų10344.6 Ų44.645%0.44824%0.237SC..Hα-helixtrans-68.2-20.4176-76.5174.5177.3168.60113.7L212 Q222 Q223 H224L212-K226 HydrophobicContact CD1-CG 3.97Å; Q222-K226 VanDerWaalsContact CD-NZ 3.26Å; Q222-K226 HydrophobicContact CG-CD 4.05Å; Q222-K226 HydrophobicContact CG-CG 4.41Å; Q222-K226 WeakPolarHBondContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CG 3.2Å; Q222-K226 PolarHBondContact O-N 3Å; Q223-K226 PolarHBondContact O-N 3.46Å; H224-K226 VanDerWaalsContact C-N 3.3Å; H224-K226 PolarHBondContact O-N 3.42Å
227S93.2Very high90.5Very high74 Ų7447.8 Ų47.852%0.51726%0.255SS..Hα-helixtrans-76.6-14.1172.173.30000113Q223 H224 L225Q223-S227 PolarHBondContact O-N 2.88Å; H224-S227 WeakPolarHBondContact O-CB 3.45Å; H224-S227 PolarHBondContact O-N 3.19Å; H224-S227 PolarHBondContact O-OG 2.87Å; L225-S227 PolarHBondContact O-N 3.38Å
228L93.5Very high90.8Very high21 Ų2144.9 Ų44.911%0.1124%0.235CC..  trans-10086.5175.9-59.3173.1000108.8M179 L225 N230 L231 S232M179-L228 HydrophobicContact CB-CD1 3.84Å; L225-L228 PolarHBondContact O-N 3.27Å; L225-L228 VanDerWaalsContact O-N 3.09Å; L228-N230 VanDerWaalsContact C-N 3.28Å; L228-N230 PolarHBondContact O-N 3.26Å; L228-L231 HydrophobicContact CB-CB 4.42Å; L228-L231 HydrophobicContact CB-CD1 4.28Å; L228-L231 HydrophobicContact CB-CG 4.47Å; L228-L231 HydrophobicContact CD1-CD1 3.9Å; L228-L231 PolarHBondContact O-N 3.03Å; L228-S232 PolarHBondContact O-N 3.45Å; L228-S232 PolarHBondContact O-OG 3.41Å
229D92.6Very high91Very high113 Ų11344.4 Ų44.460%0.60423%0.233SC*.Hα-helixtrans-58.3-40.5-174.8-65.3-36.8000112L231 S232 D233D229-L231 PolarHBondContact O-N 3.45Å; D229-S232 PolarHBondContact O-N 3.1Å; D229-S232 VanDerWaalsContact O-N 3.15Å; D229-D233 WeakPolarHBondContact O-CB 3.45Å; D229-D233 VanDerWaalsContact O-CG 3.31Å; D229-D233 PolarHBondContact O-N 2.99Å
230N93.9Very high91.1Very high42 Ų4250 Ų5023%0.22526%0.26CS..Hα-helixtrans-60.6-41-179.163.4-20.1000113.7S183 L186 G187 L228 F234S183-N230 PolarHBondContact O-ND2 2.98Å; S183-N230 PolarHBondContact OG-ND2 3.43Å; S183-N230 PolarHBondContact OG-OD1 3.49Å; L186-N230 HydrophobicContact CD2-CB 4.45Å; G187-N230 PolarHBondContact O-ND2 3.47Å; L228-N230 VanDerWaalsContact C-N 3.28Å; L228-N230 PolarHBondContact O-N 3.26Å; N230-F234 VanDerWaalsContact O-CB 3.25Å; N230-F234 WeakPolarHBondContact O-CB 3.44Å; N230-F234 PolarHBondContact O-N 2.92Å
231L92.6Very high91Very high0 Ų050.5 Ų50.50%027%0.266CS..Hα-helixtrans-72.5-35.3176.6-67.6-178.8000111.8M179 L182 L186 L208 L225 L228 D229 F234 C235M179-L231 HydrophobicContact CB-CD1 4.35Å; M179-L231 WeakPolarHBondContact O-CD1 3.46Å; L182-L231 HydrophobicContact CB-CD1 4.5Å; L182-L231 HydrophobicContact CB-CD2 4.37Å; L186-L231 HydrophobicContact CD2-CD2 3.91Å; L208-L231 HydrophobicContact CD1-CB 4.33Å; L208-L231 HydrophobicContact CD1-CD1 4.13Å; L208-L231 HydrophobicContact CD1-CD2 4.3Å; L225-L231 HydrophobicContact CD1-CB 4.04Å; L225-L231 HydrophobicContact CD1-CD1 4.16Å; L228-L231 HydrophobicContact CB-CB 4.42Å; L228-L231 HydrophobicContact CB-CD1 4.28Å; L228-L231 HydrophobicContact CB-CG 4.47Å; L228-L231 HydrophobicContact CD1-CD1 3.9Å; L228-L231 PolarHBondContact O-N 3.03Å; D229-L231 PolarHBondContact O-N 3.45Å; L231-F234 WeakPolarHBondContact O-CB 3.47Å; L231-F234 PolarHBondContact O-N 3.37Å; L231-C235 PolarHBondContact O-N 3.26Å; L231-C235 PolarHBondContact O-SG 2.89Å
232S92.3Very high90.6Very high15 Ų1552.1 Ų52.111%0.10527%0.273CS..Hα-helixtrans-66.9-41.9176.7-660000111.7L225 L228 D229 S236L225-S232 PolarHBondContact O-OG 2.97Å; L228-S232 PolarHBondContact O-N 3.45Å; L228-S232 PolarHBondContact O-OG 3.41Å; D229-S232 PolarHBondContact O-N 3.1Å; D229-S232 VanDerWaalsContact O-N 3.15Å; S232-S236 WeakPolarHBondContact O-CB 3.34Å; S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.07Å; S232-S236 PolarHBondContact O-OG 3.25Å
233D92.4Very high90Very high95 Ų9552.6 Ų52.651%0.50827%0.274SS..Hα-helixtrans-66.9-43.8174.6-73.3-18.4000111D229 C235 S236 N237D229-D233 WeakPolarHBondContact O-CB 3.45Å; D229-D233 VanDerWaalsContact O-CG 3.31Å; D229-D233 PolarHBondContact O-N 2.99Å; D233-C235 PolarHBondContact O-N 3.09Å; D233-S236 PolarHBondContact O-N 3.43Å; D233-S236 VanDerWaalsContact O-N 3.16Å; D233-N237 VanDerWaalsContact O-CB 3.3Å; D233-N237 WeakPolarHBondContact O-CB 3.5Å; D233-N237 PolarHBondContact O-N 3.38Å; D233-N237 PolarHBondContact O-ND2 2.94Å; D233-N237 VanDerWaalsContact O-ND2 3.16Å
234F92.7Very high89.2Confident5 Ų550.1 Ų50.12%0.02227%0.27CS..Hα-helixtrans-52.6-51.8173.3169.3-99.1000112.2L186 K190 F191 F192 D201 V204 F205 N230 L231 S236 N237 I238L186-F234 HydrophobicContact CD1-CD2 4.11Å; L186-F234 HydrophobicContact CD1-CE2 4.5Å; L186-F234 HydrophobicContact CD2-CB 3.75Å; L186-F234 HydrophobicContact CD2-CD2 4.23Å; L186-F234 HydrophobicContact CD2-CG 4.09Å; K190-F234 WeakPolarHBondContact O-CD2 3.39Å; F191-F234 HydrophobicContact CD1-CE2 4.13Å; F192-F234 HydrophobicContact CD2-CE2 4.44Å; F192-F234 HydrophobicContact CD2-CZ 4.3Å; F192-F234 HydrophobicContact CE2-CE1 4.33Å; F192-F234 HydrophobicContact CE2-CE2 4.34Å; F192-F234 AromaticContact CE2-CZ 4Å; F192-F234 HydrophobicContact CE2-CZ 4Å; D201-F234 HydrophobicContact CB-CE2 4.34Å; D201-F234 HydrophobicContact CB-CZ 3.92Å; D201-F234 VanDerWaalsContact OD1-CE2 3.31Å; D201-F234 WeakPolarHBondContact OD1-CE2 3.34Å; V204-F234 HydrophobicContact CB-CE1 4.29Å; V204-F234 HydrophobicContact CG1-CD1 4.47Å; V204-F234 HydrophobicContact CG1-CE1 3.88Å; F205-F234 HydrophobicContact CB-CE1 4.29Å; N230-F234 VanDerWaalsContact O-CB 3.25Å; N230-F234 WeakPolarHBondContact O-CB 3.44Å; N230-F234 PolarHBondContact O-N 2.92Å; L231-F234 WeakPolarHBondContact O-CB 3.47Å; L231-F234 PolarHBondContact O-N 3.37Å; F234-S236 VanDerWaalsContact C-N 3.31Å; F234-S236 PolarHBondContact O-N 3.02Å; F234-N237 PolarHBondContact O-N 2.96Å; F234-I238 HydrophobicContact CD1-CD1 4.13Å; F234-I238 HydrophobicContact CD2-CD1 4.09Å; F234-I238 HydrophobicContact CE1-CD1 3.53Å; F234-I238 HydrophobicContact CE2-CD1 3.49Å; F234-I238 VanDerWaalsContact CE2-CD1 3.49Å; F234-I238 HydrophobicContact CE2-CG1 4.41Å; F234-I238 HydrophobicContact CG-CD1 4.38Å; F234-I238 HydrophobicContact CZ-CD1 3.18Å; F234-I238 HydrophobicContact CZ-CG1 4.47Å; F234-I238 PolarHBondContact O-N 2.67Å
235C91.2Very high87.8Confident0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-62.5-39.4178.7-67.50000112.1F205 L212 L231 D233 L239F205-C235 HydrophobicContact CD2-CB 4.43Å; L212-C235 HydrophobicContact CD2-CB 3.77Å; L231-C235 PolarHBondContact O-N 3.26Å; L231-C235 PolarHBondContact O-SG 2.89Å; D233-C235 PolarHBondContact O-N 3.09Å; C235-L239 WeakPolarHBondContact O-CG 3.44Å; C235-L239 PolarHBondContact O-N 2.96Å; C235-L239 VanDerWaalsContact O-N 3.15Å
236S90.4Very high85.8Confident36 Ų3664 Ų6425%0.25233%0.33SS..Hα-helixtrans-70.1-40.7-179.8-60.80000112.1S232 D233 F234 L239 L240S232-S236 WeakPolarHBondContact O-CB 3.34Å; S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.07Å; S232-S236 PolarHBondContact O-OG 3.25Å; D233-S236 PolarHBondContact O-N 3.43Å; D233-S236 VanDerWaalsContact O-N 3.16Å; F234-S236 VanDerWaalsContact C-N 3.31Å; F234-S236 PolarHBondContact O-N 3.02Å; S236-L239 PolarHBondContact O-N 3.22Å; S236-L240 WeakPolarHBondContact O-CG 3.44Å; S236-L240 PolarHBondContact O-N 3.24Å
237N89.8Confident83Confident84 Ų8464.8 Ų64.845%0.44935%0.349SS..Hα-helixtrans-63.7-44176.2-71.7-27.8000111.4D233 F234 L239 L240 L241D233-N237 VanDerWaalsContact O-CB 3.3Å; D233-N237 WeakPolarHBondContact O-CB 3.5Å; D233-N237 PolarHBondContact O-N 3.38Å; D233-N237 PolarHBondContact O-ND2 2.94Å; D233-N237 VanDerWaalsContact O-ND2 3.16Å; F234-N237 PolarHBondContact O-N 2.96Å; N237-L239 VanDerWaalsContact C-N 3.35Å; N237-L239 PolarHBondContact O-N 3.5Å; N237-L240 PolarHBondContact O-N 2.88Å; N237-L241 WeakPolarHBondContact O-CB 3.48Å; N237-L241 VanDerWaalsContact O-CG 3.23Å; N237-L241 WeakPolarHBondContact O-CG 3.32Å; N237-L241 PolarHBondContact O-N 3.09Å
238I88.6Confident80.2Confident2 Ų272.8 Ų72.81%0.0137%0.368CS..Hα-helixtrans-58.9-46.2175.1-80.4175.6000111.7F28 F191 F205 F234 L240 L241 Y242F28-I238 HydrophobicContact CD2-CG2 3.6Å; F28-I238 HydrophobicContact CE2-CB 4.21Å; F28-I238 HydrophobicContact CE2-CD1 3.83Å; F28-I238 HydrophobicContact CE2-CG1 3.91Å; F28-I238 HydrophobicContact CE2-CG2 3.37Å; F28-I238 HydrophobicContact CZ-CD1 4.18Å; F28-I238 HydrophobicContact CZ-CG1 4.49Å; F191-I238 HydrophobicContact CE1-CD1 4.46Å; F191-I238 HydrophobicContact CE1-CG1 4.18Å; F205-I238 HydrophobicContact CB-CD1 4Å; F205-I238 HydrophobicContact CB-CG2 4.49Å; F205-I238 HydrophobicContact CD1-CG2 3.99Å; F205-I238 HydrophobicContact CD2-CB 4.02Å; F205-I238 HydrophobicContact CD2-CD1 4.3Å; F205-I238 HydrophobicContact CD2-CG2 3.45Å; F205-I238 VanDerWaalsContact CD2-CG2 3.45Å; F205-I238 HydrophobicContact CE1-CG2 4.06Å; F205-I238 HydrophobicContact CE2-CB 4.26Å; F205-I238 HydrophobicContact CE2-CG2 3.54Å; F205-I238 HydrophobicContact CG-CD1 4.29Å; F205-I238 HydrophobicContact CG-CG2 3.69Å; F205-I238 HydrophobicContact CZ-CG2 3.84Å; F234-I238 HydrophobicContact CD1-CD1 4.13Å; F234-I238 HydrophobicContact CD2-CD1 4.09Å; F234-I238 HydrophobicContact CE1-CD1 3.53Å; F234-I238 HydrophobicContact CE2-CD1 3.49Å; F234-I238 VanDerWaalsContact CE2-CD1 3.49Å; F234-I238 HydrophobicContact CE2-CG1 4.41Å; F234-I238 HydrophobicContact CG-CD1 4.38Å; F234-I238 HydrophobicContact CZ-CD1 3.18Å; F234-I238 HydrophobicContact CZ-CG1 4.47Å; F234-I238 PolarHBondContact O-N 2.67Å; I238-L240 VanDerWaalsContact C-N 3.32Å; I238-L240 PolarHBondContact O-N 3.34Å; I238-L241 PolarHBondContact O-N 3.43Å; I238-Y242 HydrophobicContact CG1-CE2 4.49Å; I238-Y242 HydrophobicContact CG2-CD2 4.23Å; I238-Y242 WeakPolarHBondContact O-CB 3.46Å; I238-Y242 PolarHBondContact O-N 3.4Å
239L87Confident77.4Confident17 Ų1775.6 Ų75.69%0.08939%0.394CS..Hα-helixtrans-59.4-45.6178-76.4166.7000111.2L16 F205 K213 C235 S236 N237 F243L16-L239 HydrophobicContact CD2-CD1 3.92Å; L16-L239 HydrophobicContact CD2-CD2 3.82Å; L16-L239 HydrophobicContact CD2-CG 4.46Å; F205-L239 HydrophobicContact CE2-CD1 4.39Å; F205-L239 HydrophobicContact CE2-CD2 4.02Å; F205-L239 HydrophobicContact CE2-CG 3.77Å; F205-L239 HydrophobicContact CZ-CD2 3.62Å; F205-L239 HydrophobicContact CZ-CG 3.92Å; K213-L239 HydrophobicContact CG-CD1 4.5Å; C235-L239 WeakPolarHBondContact O-CG 3.44Å; C235-L239 PolarHBondContact O-N 2.96Å; C235-L239 VanDerWaalsContact O-N 3.15Å; S236-L239 PolarHBondContact O-N 3.22Å; N237-L239 VanDerWaalsContact C-N 3.35Å; N237-L239 PolarHBondContact O-N 3.5Å; L239-F243 HydrophobicContact CD2-CD2 4.35Å; L239-F243 CarbonylContact O-C 3.51Å; L239-F243 VanDerWaalsContact O-CA 3.28Å; L239-F243 WeakPolarHBondContact O-CA 3.43Å; L239-F243 PolarHBondContact O-N 3.46Å
240L86.5Confident74.1Confident130 Ų13077.9 Ų77.968%0.68140%0.401SS*.Hα-helixtrans-66.9-41.1-179.9-70.3173000113S236 N237 I238S236-L240 WeakPolarHBondContact O-CG 3.44Å; S236-L240 PolarHBondContact O-N 3.24Å; N237-L240 PolarHBondContact O-N 2.88Å; I238-L240 VanDerWaalsContact C-N 3.32Å; I238-L240 PolarHBondContact O-N 3.34Å
241L85.3Confident71.3Confident110 Ų11081.2 Ų81.258%0.57643%0.425SS*.Hα-helixtrans-73.7-37.4-175.7-71.9170.1000112.7N237 I238N237-L241 WeakPolarHBondContact O-CB 3.48Å; N237-L241 VanDerWaalsContact O-CG 3.23Å; N237-L241 WeakPolarHBondContact O-CG 3.32Å; N237-L241 PolarHBondContact O-N 3.09Å; I238-L241 PolarHBondContact O-N 3.43Å
242Y80.5Confident68.2Low39 Ų3985.8 Ų85.815%0.15346%0.457CS..Hα-helixtrans-120.2-19.3-165-53.5-39.7000114.3F28 T31 K32 F191 P197 I238F28-Y242 HydrophobicContact CD2-CD2 4.13Å; F28-Y242 AromaticContact CE2-CD2 3.41Å; F28-Y242 HydrophobicContact CE2-CD2 3.41Å; F28-Y242 VanDerWaalsContact CE2-CD2 3.41Å; F28-Y242 AromaticContact CE2-CE2 3.69Å; F28-Y242 HydrophobicContact CE2-CE2 3.69Å; F28-Y242 HydrophobicContact CZ-CD2 4.02Å; F28-Y242 AromaticContact CZ-CE2 3.84Å; F28-Y242 HydrophobicContact CZ-CE2 3.84Å; T31-Y242 VanDerWaalsContact CG2-O 3.26Å; T31-Y242 WeakPolarHBondContact CG2-O 3.36Å; K32-Y242 HydrophobicContact CD-CD1 3.97Å; K32-Y242 HydrophobicContact CD-CD2 3.83Å; K32-Y242 HydrophobicContact CD-CE1 3.69Å; K32-Y242 HydrophobicContact CD-CE2 3.47Å; K32-Y242 VanDerWaalsContact CD-CE2 3.47Å; K32-Y242 HydrophobicContact CD-CG 4.02Å; K32-Y242 HydrophobicContact CG-CE2 4.5Å; F191-Y242 HydrophobicContact CE1-CE2 4.11Å; F191-Y242 HydrophobicContact CZ-CE2 4.07Å; F191-Y242 VanDerWaalsContact CZ-OH 3.32Å; F191-Y242 WeakPolarHBondContact CZ-OH 3.4Å; P197-Y242 WeakPolarHBondContact CG-OH 3.43Å; I238-Y242 HydrophobicContact CG1-CE2 4.49Å; I238-Y242 HydrophobicContact CG2-CD2 4.23Å; I238-Y242 WeakPolarHBondContact O-CB 3.46Å; I238-Y242 PolarHBondContact O-N 3.4Å
243F80.1Confident65.3Low29 Ų2989.6 Ų89.613%0.12749%0.489CS..SBendtrans-126.755.8172.5-56-76.3000110.1P17 L27 F28 T31 F205 L239 R245P17-F243 HydrophobicContact CB-CD1 3.8Å; P17-F243 HydrophobicContact CB-CE1 4.01Å; P17-F243 HydrophobicContact CB-CG 4.31Å; P17-F243 HydrophobicContact CG-CD1 3.65Å; P17-F243 HydrophobicContact CG-CD2 4.06Å; P17-F243 HydrophobicContact CG-CE1 3.71Å; P17-F243 HydrophobicContact CG-CE2 4.1Å; P17-F243 HydrophobicContact CG-CG 3.81Å; P17-F243 HydrophobicContact CG-CZ 3.91Å; L27-F243 HydrophobicContact CB-CE1 4.34Å; L27-F243 HydrophobicContact CB-CZ 4.25Å; F28-F243 HydrophobicContact CB-CE2 4.35Å; F28-F243 HydrophobicContact CB-CZ 4.25Å; F28-F243 HydrophobicContact CD2-CE2 4.15Å; T31-F243 HydrophobicContact CG2-CE1 4.37Å; T31-F243 WeakPolarHBondContact OG1-CE1 3.46Å; F205-F243 AromaticContact CE1-CE2 3.98Å; F205-F243 HydrophobicContact CE1-CE2 3.98Å; F205-F243 HydrophobicContact CZ-CE2 4.36Å; L239-F243 HydrophobicContact CD2-CD2 4.35Å; L239-F243 CarbonylContact O-C 3.51Å; L239-F243 VanDerWaalsContact O-CA 3.28Å; L239-F243 WeakPolarHBondContact O-CA 3.43Å; L239-F243 PolarHBondContact O-N 3.46Å; F243-R245 PolarHBondContact O-N 2.96Å
244P74.6Confident62.5Low84 Ų8493.9 Ų93.955%0.54551%0.506SS..  trans-54.8132.5174.224.6-32.2000108.2D246P244-D246 PolarHBondContact O-N 3.5Å
245R64.1Low59.5Low208 Ų208103.2 Ų103.279%0.78555%0.547SS*.  trans-59.6108.3179.1-73.3-175.1-176.7177.60.7108.1F243 S247F243-R245 PolarHBondContact O-N 2.96Å; R245-S247 PolarHBondContact O-N 3.15Å
246D49.5Very low56.6Low136 Ų136107.3 Ų107.373%0.72758%0.581SS**  trans-56.6111.8163.9-80-36.7000106.9P244 R248 A249P244-D246 PolarHBondContact O-N 3.5Å; D246-R248 PolarHBondContact O-N 3.32Å; D246-A249 PolarHBondContact O-N 3.44Å
247S32.2Very low53.7Low120 Ų120111.5 Ų111.584%0.83961%0.607SS**THydrogen-bonded Turntrans-64.916-179.9-23.40000113.1R245R245-S247 PolarHBondContact O-N 3.15Å
248R33.6Very low51Low243 Ų243112 Ų11292%0.91762%0.623SS**THydrogen-bonded Turntrans-107.3-4.9-176.4-69.9-174.5-167.31585.8114D246D246-R248 PolarHBondContact O-N 3.32Å
249A34.6Very low48.5Very low80 Ų80116.1 Ų116.166%0.66166%0.657SS**  trans-130.156.917800000110.9D246 P251D246-A249 PolarHBondContact O-N 3.44Å; A249-P251 VanDerWaalsContact O-CD 3.31Å; A249-P251 WeakPolarHBondContact O-CD 3.41Å
250E25Very low46.2Very low160 Ų160120.7 Ų120.775%0.74869%0.688SS**  trans-66.7118.8147.5-77.1-78.915000106S252E250-S252 VanDerWaalsContact C-N 3.28Å; E250-S252 PolarHBondContact O-N 3.07Å
251P33.8Very low43.7Very low113 Ų113123.3 Ų123.373%0.73470%0.697SS**  trans-62.1106.6154.826-26.1000104.3A249 A253A249-P251 VanDerWaalsContact O-CD 3.31Å; A249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-A253 PolarHBondContact O-N 3.16Å
252S28.4Very low41.7Very low95 Ų95123.6 Ų123.666%0.66472%0.715SS**  trans-39.3117.2170.558.10000107E250 Q254E250-S252 VanDerWaalsContact C-N 3.28Å; E250-S252 PolarHBondContact O-N 3.07Å; S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.31Å
253A31.9Very low39.6Very low95 Ų95124.1 Ų124.179%0.78573%0.732SS**  trans-45105.4170.700000106.3P251 K255P251-A253 PolarHBondContact O-N 3.16Å; A253-K255 PolarHBondContact O-N 3.03Å
254Q33.4Very low37.8Very low186 Ų186130.6 Ų130.687%0.86977%0.768SS**  trans-62.999.4173.5-77.4179-11.700103.6S252 A256S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.31Å; Q254-A256 PolarHBondContact O-N 3.03Å
255K28.5Very low36Very low200 Ų200134.3 Ų134.387%0.8778%0.776SS**  trans-44.4116.1156.3-96.4179.2173.2177.40104.6A253 P257A253-K255 PolarHBondContact O-N 3.03Å; K255-P257 VanDerWaalsContact O-N 3.14Å
256A30.3Very low35Very low86 Ų86131.3 Ų131.371%0.71178%0.775SS**  trans-44.1125.7164.500000106.7Q254 A258Q254-A256 PolarHBondContact O-N 3.03Å; A256-A258 PolarHBondContact O-N 3.3Å; A256-A258 VanDerWaalsContact O-N 3.08Å
257P30.8Very low35Very low124 Ų124131.6 Ų131.681%0.80578%0.777SS**  trans-61.1122.8170.225.5-28.5000105.5K255 A259K255-P257 VanDerWaalsContact O-N 3.14Å; P257-A259 PolarHBondContact O-N 3.16Å
258A33.3Very low35.8Very low94 Ų94129.6 Ų129.678%0.77776%0.76SS**  trans-49.6138.4167.600000108.1A256A256-A258 PolarHBondContact O-N 3.3Å; A256-A258 VanDerWaalsContact O-N 3.08Å
259A36Very low36.8Very low89 Ų89123 Ų12374%0.73675%0.748SS**  trans-45.4131.5177.300000110.2P257 E261P257-A259 PolarHBondContact O-N 3.16Å; A259-E261 PolarHBondContact O-N 2.97Å
260P37.3Very low37.9Very low113 Ų113123.8 Ų123.873%0.73474%0.741SS**  trans-72117.9169.927.9-26.4000107.3
261E35.2Very low39.5Very low185 Ų185123.2 Ų123.286%0.86474%0.736SS**  trans-50.4147.2160.1-71.3-172.914600109.7A259 G263A259-E261 PolarHBondContact O-N 2.97Å; E261-G263 PolarHBondContact O-N 2.98Å
262A42.8Very low41.2Very low117 Ų117125.9 Ų125.997%0.96773%0.732SS**SBendtrans-49.8107.1179.600000111.2
263G37.4Very low43.1Very low50 Ų50130 Ų13052%0.51573%0.733SS.*  trans-147.7123.8177.200000109.2E261 F265E261-G263 PolarHBondContact O-N 2.98Å; G263-F265 WeakPolarHBondContact O-CD2 3.23Å; G263-F265 PolarHBondContact O-N 3.41Å
264D40.7Very low44.9Very low164 Ų164133.1 Ų133.188%0.87773%0.729SS**  trans-39.3120.3-173.7-1464.2000115.1
265F36.7Very low46.8Very low163 Ų163129.5 Ų129.572%0.71571%0.712SS**  trans-105.389.5178-92.6-86.4000110.7G263 V268G263-F265 WeakPolarHBondContact O-CD2 3.23Å; G263-F265 PolarHBondContact O-N 3.41Å; F265-V268 HydrophobicContact CD1-CG2 4.14Å
266D43.2Very low49.3Very low144 Ų144126.8 Ų126.877%0.7770%0.7SS**  trans-110.6127.6159.6-95.5-28.5000111
267N50.7Low51.7Low143 Ų143128.3 Ų128.377%0.76570%0.696SS**  trans84.183.3179.9-69.9-56.3000119.2
268V47.3Very low54.1Low77 Ų77125.8 Ų125.847%0.46768%0.681SS.*  trans-113.5124.7157.9-176.40000109.9F265 N270 K271F265-V268 HydrophobicContact CD1-CG2 4.14Å; V268-N270 HydrophobicContact CG1-CB 4.35Å; V268-N270 PolarHBondContact O-N 3.38Å; V268-N270 VanDerWaalsContact O-N 3.15Å; V268-K271 PolarHBondContact O-N 2.99Å
269P56.2Low56.6Low104 Ų104123.8 Ų123.868%0.67567%0.665SS**Hα-helixtrans-66.5-18.8-172.924.7-33.6000114.5K271P269-K271 VanDerWaalsContact C-N 3.33Å; P269-K271 PolarHBondContact O-N 2.93Å
270N57.2Low59.1Low97 Ų97125.5 Ų125.552%0.51966%0.661SS.*Hα-helixtrans-75.8-16-179.1-74-26.1000114.2V268 K274V268-N270 HydrophobicContact CG1-CB 4.35Å; V268-N270 PolarHBondContact O-N 3.38Å; V268-N270 VanDerWaalsContact O-N 3.15Å; N270-K274 WeakPolarHBondContact O-CB 3.4Å; N270-K274 WeakPolarHBondContact O-CG 3.35Å; N270-K274 PolarHBondContact O-N 3.49Å; N270-K274 VanDerWaalsContact O-N 3.1Å
271K59.4Low61.7Low148 Ų148128 Ų12864%0.64366%0.661SS**Hα-helixtrans-70.6-43.7177-160.8173.5-176179.30110.9V268 P269 R273 K274 Q275V268-K271 PolarHBondContact O-N 2.99Å; P269-K271 VanDerWaalsContact C-N 3.33Å; P269-K271 PolarHBondContact O-N 2.93Å; K271-R273 PolarHBondContact O-N 3.39Å; K271-K274 PolarHBondContact O-N 3.1Å; K271-Q275 WeakPolarHBondContact O-CB 3.49Å; K271-Q275 VanDerWaalsContact O-CG 3.23Å; K271-Q275 WeakPolarHBondContact O-CG 3.09Å; K271-Q275 PolarHBondContact O-N 2.99Å
272R68Low64.3Low169 Ų169121.5 Ų121.564%0.63864%0.638SS**Hα-helixtrans-60.7-46.5174.6-67.4-172.5-177.6-173.71.6111K274 Q275 F276R272-K274 PolarHBondContact O-N 3.39Å; R272-Q275 WeakPolarHBondContact O-CB 3.5Å; R272-Q275 PolarHBondContact O-N 2.81Å; R272-F276 HydrophobicContact CB-CD2 4.37Å; R272-F276 HydrophobicContact CB-CE2 4.38Å; R272-F276 WeakPolarHBondContact O-CD2 3.28Å; R272-F276 PolarHBondContact O-N 3.18Å
273R69Low66.4Low183 Ų183120.8 Ų120.869%0.69162%0.618SS**Hα-helixtrans-63.2-39.9-179.4-157.7176-173.3-173.62.1112.8K271 F276 L277K271-R273 PolarHBondContact O-N 3.39Å; R273-F276 PolarHBondContact O-N 3.49Å; R273-L277 PolarHBondContact O-N 2.89Å
274K68.6Low68.9Low160 Ų160120.3 Ų120.370%0.69661%0.613SS**Hα-helixtrans-67.1-39.4173.8-73.6-179.3179.1-1750112.1N270 K271 R272 L277 S278N270-K274 WeakPolarHBondContact O-CB 3.4Å; N270-K274 WeakPolarHBondContact O-CG 3.35Å; N270-K274 PolarHBondContact O-N 3.49Å; N270-K274 VanDerWaalsContact O-N 3.1Å; K271-K274 PolarHBondContact O-N 3.1Å; R272-K274 PolarHBondContact O-N 3.39Å; K274-L277 PolarHBondContact O-N 3.38Å; K274-S278 PolarHBondContact O-N 2.86Å; K274-S278 PolarHBondContact O-OG 3.45Å
275Q75.3Confident71.3Confident109 Ų109114.7 Ų114.751%0.50959%0.589SS.*Hα-helixtrans-65.4-40.1174.8-74.1170.3-25.400112.4K271 R272 S278 A279K271-Q275 WeakPolarHBondContact O-CB 3.49Å; K271-Q275 VanDerWaalsContact O-CG 3.23Å; K271-Q275 WeakPolarHBondContact O-CG 3.09Å; K271-Q275 PolarHBondContact O-N 2.99Å; R272-Q275 WeakPolarHBondContact O-CB 3.5Å; R272-Q275 PolarHBondContact O-N 2.81Å; Q275-S278 WeakPolarHBondContact CA-OG 3.46Å; Q275-S278 PolarHBondContact O-N 3.42Å; Q275-S278 PolarHBondContact O-OG 2.88Å; Q275-A279 VanDerWaalsContact O-CB 3.28Å; Q275-A279 WeakPolarHBondContact O-CB 3.32Å; Q275-A279 PolarHBondContact O-N 3.14Å
276F80.5Confident73.8Confident143 Ų143113.2 Ų113.263%0.62759%0.586SS**Hα-helixtrans-64.1-43.8173.8-84.6-69.1000111.7R272 R273 A279 L280R272-F276 HydrophobicContact CB-CD2 4.37Å; R272-F276 HydrophobicContact CB-CE2 4.38Å; R272-F276 WeakPolarHBondContact O-CD2 3.28Å; R272-F276 PolarHBondContact O-N 3.18Å; R273-F276 PolarHBondContact O-N 3.49Å; F276-A279 PolarHBondContact O-N 2.93Å; F276-L280 WeakPolarHBondContact O-CB 3.47Å; F276-L280 PolarHBondContact O-N 3.44Å
277L80.2Confident75.8Confident118 Ų118110.6 Ų110.662%0.61857%0.572SS**Hα-helixtrans-63.6-42.5176.3-120.183.9000112R273 K274 L280 F281R273-L277 PolarHBondContact O-N 2.89Å; K274-L277 PolarHBondContact O-N 3.38Å; L277-L280 PolarHBondContact O-N 2.99Å; L277-F281 WeakPolarHBondContact O-CB 3.44Å; L277-F281 PolarHBondContact O-N 3.44Å
278S80.8Confident77.4Confident71 Ų71107 Ų10750%0.49756%0.557SS.*Hα-helixtrans-67.3-37.2177.657.70000112.2K274 Q275 F281 A282K274-S278 PolarHBondContact O-N 2.86Å; K274-S278 PolarHBondContact O-OG 3.45Å; Q275-S278 WeakPolarHBondContact CA-OG 3.46Å; Q275-S278 PolarHBondContact O-N 3.42Å; Q275-S278 PolarHBondContact O-OG 2.88Å; S278-F281 PolarHBondContact O-N 2.93Å; S278-A282 WeakPolarHBondContact O-CB 3.29Å; S278-A282 PolarHBondContact O-N 3.41Å
279A85.8Confident79.3Confident53 Ų53110.7 Ų110.744%0.43856%0.564SS.*Hα-helixtrans-65.5-44.4175.800000111.1Q275 F276 F281 A282 L283Q275-A279 VanDerWaalsContact O-CB 3.28Å; Q275-A279 WeakPolarHBondContact O-CB 3.32Å; Q275-A279 PolarHBondContact O-N 3.14Å; F276-A279 PolarHBondContact O-N 2.93Å; A279-F281 VanDerWaalsContact C-N 3.35Å; A279-F281 PolarHBondContact O-N 2.91Å; A279-A282 PolarHBondContact O-N 3.46Å; A279-L283 VanDerWaalsContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 PolarHBondContact O-N 3.34Å
280L88.9Confident80.7Confident125 Ų125106.8 Ų106.865%0.65454%0.54SS*.Hα-helixtrans-60.2-43.6175-85.5164.5000112.2F276 L277 L283 G284F276-L280 WeakPolarHBondContact O-CB 3.47Å; F276-L280 PolarHBondContact O-N 3.44Å; L277-L280 PolarHBondContact O-N 2.99Å; L280-L283 PolarHBondContact O-N 3.38Å; L280-G284 PolarHBondContact O-N 2.95Å
281F90.9Very high81.9Confident166 Ų166106.3 Ų106.373%0.72854%0.537SS*.Hα-helixtrans-65.3-44178.7-170-96.2000112L277 S278 A279 L283 G284 A285L277-F281 WeakPolarHBondContact O-CB 3.44Å; L277-F281 PolarHBondContact O-N 3.44Å; S278-F281 PolarHBondContact O-N 2.93Å; A279-F281 VanDerWaalsContact C-N 3.35Å; A279-F281 PolarHBondContact O-N 2.91Å; F281-L283 PolarHBondContact O-N 2.95Å; F281-G284 PolarHBondContact O-N 3.16Å; F281-A285 WeakPolarHBondContact O-CB 3.39Å; F281-A285 PolarHBondContact O-N 2.95Å
282A89.8Confident82.9Confident48 Ų48106.9 Ų106.940%0.39755%0.547SS..Hα-helixtrans-63.2-41176.200000112S278 A279 A285 M286S278-A282 WeakPolarHBondContact O-CB 3.29Å; S278-A282 PolarHBondContact O-N 3.41Å; A279-A282 PolarHBondContact O-N 3.46Å; A282-A285 PolarHBondContact O-N 3.49Å; A282-M286 WeakPolarHBondContact O-CB 3.34Å; A282-M286 WeakPolarHBondContact O-CG 3.44Å; A282-M286 PolarHBondContact O-N 2.86Å
283L88.4Confident83.6Confident102 Ų102101.7 Ų101.753%0.53453%0.534SS..Hα-helixtrans-68.6-39.3179.7-148.3151.7000111.3A279 L280 F281 M286 L287A279-L283 VanDerWaalsContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 PolarHBondContact O-N 3.34Å; L280-L283 PolarHBondContact O-N 3.38Å; F281-L283 PolarHBondContact O-N 2.95Å; L283-M286 PolarHBondContact O-N 3.49Å; L283-L287 HydrophobicContact CD2-CD1 3.58Å; L283-L287 HydrophobicContact CD2-CG 4.19Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.94Å
284G90.1Very high83.9Confident40 Ų4095.8 Ų95.841%0.41253%0.53SS..Hα-helixtrans-62.9-42.2171.600000113.1L280 F281 L287 S288L280-G284 PolarHBondContact O-N 2.95Å; F281-G284 PolarHBondContact O-N 3.16Å; G284-L287 PolarHBondContact O-N 3.42Å; G284-S288 WeakPolarHBondContact O-CB 3.42Å; G284-S288 PolarHBondContact O-N 2.9Å; G284-S288 PolarHBondContact O-OG 3.42Å
285A90.9Very high84Confident46 Ų4695.3 Ų95.338%0.3853%0.532SS..Hα-helixtrans-68.4-36.1176.400000112.8F281 A282 S288 Y289F281-A285 WeakPolarHBondContact O-CB 3.39Å; F281-A285 PolarHBondContact O-N 2.95Å; A282-A285 PolarHBondContact O-N 3.49Å; A285-S288 WeakPolarHBondContact CA-OG 3.42Å; A285-S288 PolarHBondContact O-OG 2.86Å; A285-Y289 VanDerWaalsContact O-CB 3.28Å; A285-Y289 WeakPolarHBondContact O-CB 3.42Å; A285-Y289 PolarHBondContact O-N 3.47Å
286M87.9Confident83.4Confident131 Ų13193.4 Ų93.465%0.64553%0.528SS*.Hα-helixtrans-71.2-39.5175-73.7-157.4-67.300112A282 L283 Y289 A290A282-M286 WeakPolarHBondContact O-CB 3.34Å; A282-M286 WeakPolarHBondContact O-CG 3.44Å; A282-M286 PolarHBondContact O-N 2.86Å; L283-M286 PolarHBondContact O-N 3.49Å; M286-Y289 PolarHBondContact O-N 3Å; M286-A290 VanDerWaalsContact O-CB 3.23Å; M286-A290 WeakPolarHBondContact O-CB 3.23Å; M286-A290 PolarHBondContact O-N 2.93Å
287L86.3Confident82.5Confident90 Ų9091.7 Ų91.747%0.47153%0.533SS..Hα-helixtrans-65.2-42.4174.1-81.5166.9000111.9L283 G284 A290 L291L283-L287 HydrophobicContact CD2-CD1 3.58Å; L283-L287 HydrophobicContact CD2-CG 4.19Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.94Å; G284-L287 PolarHBondContact O-N 3.42Å; L287-A290 PolarHBondContact O-N 2.95Å; L287-L291 WeakPolarHBondContact O-CB 3.28Å; L287-L291 VanDerWaalsContact O-CG 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.36Å
288S83.9Confident81.7Confident66 Ų6691.5 Ų91.546%0.46253%0.531SS..Hα-helixtrans-65.5-41.217763.20000111.6G284 A285 L291 L292G284-S288 WeakPolarHBondContact O-CB 3.42Å; G284-S288 PolarHBondContact O-N 2.9Å; G284-S288 PolarHBondContact O-OG 3.42Å; A285-S288 WeakPolarHBondContact CA-OG 3.42Å; A285-S288 PolarHBondContact O-OG 2.86Å; S288-L291 PolarHBondContact O-N 3.45Å; S288-L292 WeakPolarHBondContact O-CB 3.46Å; S288-L292 PolarHBondContact O-N 2.95Å
289Y86.8Confident80.3Confident156 Ų15696.7 Ų96.761%0.61255%0.548SS*.Hα-helixtrans-63.6-43.7173.7-176.3-100000112.1A285 M286 L291 L292 T293A285-Y289 VanDerWaalsContact O-CB 3.28Å; A285-Y289 WeakPolarHBondContact O-CB 3.42Å; A285-Y289 PolarHBondContact O-N 3.47Å; M286-Y289 PolarHBondContact O-N 3Å; Y289-L291 VanDerWaalsContact C-N 3.33Å; Y289-L291 PolarHBondContact O-N 3.44Å; Y289-L292 PolarHBondContact O-N 2.99Å; Y289-T293 HydrophobicContact CD1-CG2 4.23Å; Y289-T293 HydrophobicContact CD2-CG2 4.25Å; Y289-T293 HydrophobicContact CE1-CG2 3.79Å; Y289-T293 HydrophobicContact CE2-CG2 3.81Å; Y289-T293 HydrophobicContact CG-CG2 4.45Å; Y289-T293 WeakPolarHBondContact O-CB 3.5Å; Y289-T293 WeakPolarHBondContact O-CG2 3.47Å; Y289-T293 PolarHBondContact O-N 3.07Å; Y289-T293 PolarHBondContact O-OG1 3.06Å
290A86.4Confident78.5Confident21 Ų21102.5 Ų102.517%0.17457%0.566CS.*Hα-helixtrans-65.3-34.7179.200000112.7M286 L287 T293 G294 M295 V296M286-A290 VanDerWaalsContact O-CB 3.23Å; M286-A290 WeakPolarHBondContact O-CB 3.23Å; M286-A290 PolarHBondContact O-N 2.93Å; L287-A290 PolarHBondContact O-N 2.95Å; A290-T293 WeakPolarHBondContact CA-OG1 3.43Å; A290-T293 PolarHBondContact O-OG1 3.47Å; A290-G294 PolarHBondContact O-N 3.02Å; A290-M295 PolarHBondContact O-N 3.01Å; A290-V296 HydrophobicContact CB-CG2 4Å; A290-V296 PolarHBondContact O-N 3.43Å
291L82.8Confident76.3Confident88 Ų8899.9 Ų99.946%0.46157%0.569SS.*Hα-helixtrans-69.5-42.8171.3-72.9168.4000111.8L287 S288 Y289 T293 G294 V296 I298L287-L291 WeakPolarHBondContact O-CB 3.28Å; L287-L291 VanDerWaalsContact O-CG 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.36Å; S288-L291 PolarHBondContact O-N 3.45Å; Y289-L291 VanDerWaalsContact C-N 3.33Å; Y289-L291 PolarHBondContact O-N 3.44Å; L291-T293 VanDerWaalsContact C-N 3.35Å; L291-T293 PolarHBondContact O-N 3.43Å; L291-G294 PolarHBondContact O-N 3.46Å; L291-V296 HydrophobicContact CD2-CB 4.08Å; L291-V296 HydrophobicContact CD2-CG1 4.12Å; L291-I298 HydrophobicContact CD2-CD1 4.02Å; L291-I298 HydrophobicContact CD2-CG1 4.31Å
292L80Confident73.6Confident160 Ų160100.9 Ų100.984%0.83858%0.576SS**Hα-helixtrans-68.2-34.5-178.6-137.4102.4000113S288 Y289 G294S288-L292 WeakPolarHBondContact O-CB 3.46Å; S288-L292 PolarHBondContact O-N 2.95Å; Y289-L292 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact C-N 3.26Å
293T82.3Confident70.9Confident59 Ų59106.7 Ų106.736%0.36260%0.595SS.*THydrogen-bonded Turntrans-84.40.8178.251.10000113.3Y289 A290 L291 M295Y289-T293 HydrophobicContact CD1-CG2 4.23Å; Y289-T293 HydrophobicContact CD2-CG2 4.25Å; Y289-T293 HydrophobicContact CE1-CG2 3.79Å; Y289-T293 HydrophobicContact CE2-CG2 3.81Å; Y289-T293 HydrophobicContact CG-CG2 4.45Å; Y289-T293 WeakPolarHBondContact O-CB 3.5Å; Y289-T293 WeakPolarHBondContact O-CG2 3.47Å; Y289-T293 PolarHBondContact O-N 3.07Å; Y289-T293 PolarHBondContact O-OG1 3.06Å; A290-T293 WeakPolarHBondContact CA-OG1 3.43Å; A290-T293 PolarHBondContact O-OG1 3.47Å; L291-T293 VanDerWaalsContact C-N 3.35Å; L291-T293 PolarHBondContact O-N 3.43Å; T293-M295 PolarHBondContact O-N 3.32Å
294G74.4Confident68.4Low59 Ų59111 Ų11161%0.60861%0.612SS**THydrogen-bonded Turntrans70.315.7176.400000114.6A290 L291 L292 V296A290-G294 PolarHBondContact O-N 3.02Å; L291-G294 PolarHBondContact O-N 3.46Å; L292-G294 VanDerWaalsContact C-N 3.26Å; G294-V296 VanDerWaalsContact C-N 3.27Å; G294-V296 PolarHBondContact O-N 2.69Å
295M72Confident65.7Low150 Ų150113.6 Ų113.674%0.73963%0.63SS**  trans-75.1-16.8178.1-69.4-174.8-178.200112.8A290 T293A290-M295 PolarHBondContact O-N 3.01Å; T293-M295 PolarHBondContact O-N 3.32Å
296V61.8Low63.1Low70 Ų70118.9 Ų118.942%0.42465%0.651SS.*SBendtrans-116.5106.6176.2179.20000109A290 L291 G294A290-V296 HydrophobicContact CB-CG2 4Å; A290-V296 PolarHBondContact O-N 3.43Å; L291-V296 HydrophobicContact CD2-CB 4.08Å; L291-V296 HydrophobicContact CD2-CG1 4.12Å; G294-V296 VanDerWaalsContact C-N 3.27Å; G294-V296 PolarHBondContact O-N 2.69Å
297S61.6Low60.5Low106 Ų106121.4 Ų121.474%0.74166%0.661SS**  trans-87113.5171.1-174.30000109.1Q299S297-Q299 PolarHBondContact O-N 3.43Å; S297-Q299 VanDerWaalsContact O-N 3.09Å
298I63.6Low57.9Low114 Ų114126.1 Ų126.159%0.58568%0.681SS**  trans-78.292173-56.5172.1000106.9L291 H300L291-I298 HydrophobicContact CD2-CD1 4.02Å; L291-I298 HydrophobicContact CD2-CG1 4.31Å; I298-H300 PolarHBondContact O-N 3.4Å
299Q51.7Low55.8Low181 Ų181128.5 Ų128.585%0.84670%0.695SS**  trans-65.2103.8165.9-85.4-173.7-23.300108.5S297 G301S297-Q299 PolarHBondContact O-N 3.43Å; S297-Q299 VanDerWaalsContact O-N 3.09Å; Q299-G301 VanDerWaalsContact C-N 3.26Å; Q299-G301 PolarHBondContact O-N 2.91Å
300H48.3Very low53.9Low174 Ų174126.4 Ų126.481%0.80670%0.7SS**  trans-69.290.5159.6-85.769.2000107.4I298 H302I298-H300 PolarHBondContact O-N 3.4Å; H300-H302 VanDerWaalsContact C-N 3.33Å; H300-H302 PolarHBondContact O-N 3.48Å
301G42.4Very low51.5Low71 Ų71132.7 Ų132.773%0.73273%0.731SS**  trans-71.291.8164.100000108.6Q299 Q303Q299-G301 VanDerWaalsContact C-N 3.26Å; Q299-G301 PolarHBondContact O-N 2.91Å; G301-Q303 PolarHBondContact O-N 3.21Å
302H33.6Very low49.7Very low187 Ų187133.2 Ų133.287%0.86674%0.739SS**  trans-78.7114.2159-162.657.4000107.4H300 E304H300-H302 VanDerWaalsContact C-N 3.33Å; H300-H302 PolarHBondContact O-N 3.48Å; H302-E304 PolarHBondContact O-N 3.25Å
303Q34.2Very low47.5Very low169 Ų169133.5 Ų133.579%0.7974%0.736SS**  trans-74.6110.9-174.4-165.1166-21.500108.1G301 A305G301-Q303 PolarHBondContact O-N 3.21Å; Q303-A305 PolarHBondContact O-N 3.09Å
304E34.8Very low45.2Very low192 Ų192138.5 Ų138.590%0.89776%0.755SS**  trans-60.7106.9164.7-79.2179.9160.100107.9H302H302-E304 PolarHBondContact O-N 3.25Å
305A33.4Very low43.3Very low95 Ų95142.5 Ų142.579%0.78576%0.761SS**  trans-92.9122.9168.600000108.5Q303Q303-A305 PolarHBondContact O-N 3.09Å
306L37.1Very low41.4Very low158 Ų158139.1 Ų139.183%0.82777%0.765SS**  trans-62.6160.9169.6-85.390.8000112.6
307E33Very low40.1Very low183 Ų183139.9 Ų139.986%0.85578%0.779SS**  trans111.4103.8149.9-63.7-170.4147.800117.3
308E30.9Very low38.9Very low189 Ų189142.5 Ų142.588%0.88378%0.779SS**  -180130.2112-101.9-177.7160.200112.5
309P40.4Very low37.8Very low117 Ų117144.7 Ų144.776%0.7679%0.787SS**  trans-107.9174.5140.337.3-26.7000109.4
310P47.9Very low37.2Very low111 Ų111144.4 Ų144.472%0.72179%0.785SS**  cis-129.6-177.11529.5-3.3000112.6
311D34.8Very low36.7Very low153 Ų153144.9 Ų144.982%0.81879%0.788SS**  178.8170.291.3-115.64.5000113.4
312P46.4Very low36.3Very low99 Ų99145.3 Ų145.364%0.64379%0.792SS**  trans-110-175-145.344-40.3000117.3
313E33.3Very low36.5Very low166 Ų166144.9 Ų144.978%0.77680%0.796SS**  trans80.4131166.2-60.4-175.8169.200116.4
314H33Very low36.5Very low164 Ų164143.9 Ų143.976%0.75983%0.831SS**  -158.215054.8-142.3-60.5000114.2
315I35.9Very low36.6Very low143 Ų143141.5 Ų141.573%0.73383%0.828SS**  trans-51.4147.7174.6-64.2149.9000115.6
316G32.2Very low36.7Very low80 Ų80143.9 Ų143.983%0.82583%0.83SS**  trans-167.796.7158.400000112.5
317A33.6Very low36.7Very low86 Ų86143.2 Ų143.271%0.71183%0.831SS**  trans-76.3157.9-178.800000114.2
318H37.3Very low36.9Very low161 Ų161140.8 Ų140.875%0.74583%0.829SS**  trans-173.5102.2136.2-98.7-73.4000107.1
319E38.9Very low37.3Very low159 Ų159137.8 Ų137.874%0.74383%0.826SS**  72.4107.4108.1-71.2174.8169.100112.8
320E39.8Very low37.1Very low175 Ų175139.2 Ų139.282%0.81883%0.83SS**  47.3131.191.3-74.1-170.4179.200112.3
321E38.8Very low36.3Very low185 Ų185141.2 Ų141.286%0.86484%0.838SS**  cis-172.9164.320.9-118.6-17716700105.8
322G32.3Very low36.5Very low79 Ų79140.3 Ų140.381%0.81484%0.84SS**  trans15691.4160.300000116.8
323D37.8Very low35.6Very low179 Ų179143.8 Ų143.896%0.95786%0.856SS**  trans-71.7149167.1-158.914.4000111.4
324G34.9Very low35.9Very low148 Ų148141.7 Ų141.7100%1.52686%0.863SS**  trans153.80176.400000115.9

Retrieved 324 of 324 residues in 775.3 ms (Link to these results)

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