A0A096MSU2_PAPAN Loading...

SRY-box transcription factor 14

AlphaFold DB (O95416), UniProt , Accession A0A096MSU2, Species PAPAN (Papio anubis, Olive baboon), Gene SOX14, Length 240 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.7Very low80.8Confident243 Ų243129.6 Ų129.6100%1.19767%0.674SS**  088.60-69.7-95162.100108.6
2S66.8Low82.2Confident118 Ų118124.7 Ų124.783%0.82565%0.647SS**PPolyproline II helixtrans-58.7140.9165.934.10000108.4
3K67.5Low83.5Confident177 Ų177122.1 Ų122.177%0.7763%0.634SS**PPolyproline II helixtrans-61.1142.3171.1-67.4168.7-175.6165.60107.4S5K3-S5 PolarHBondContact O-N 2.69Å
4P72.8Confident84.5Confident99 Ų99114.6 Ų114.664%0.64360%0.599SS**PPolyproline II helixtrans-50.7132.2171.9-21.630.8000108.7D6 H7P4-D6 PolarHBondContact O-N 3.49Å; P4-H7 PolarHBondContact O-N 3.48Å; P4-H7 VanDerWaalsContact O-N 3.08Å
5S76Confident85.5Confident121 Ų121110.1 Ų110.185%0.84657%0.573SS**THydrogen-bonded Turntrans-55.7-22.5-177.1-167.40000112.1K3 H7K3-S5 PolarHBondContact O-N 2.69Å; S5-H7 VanDerWaalsContact C-N 3.28Å; S5-H7 PolarHBondContact O-N 3.29Å
6D86.4Confident86.3Confident142 Ų142108.9 Ų108.976%0.75957%0.565SS**THydrogen-bonded Turntrans-831.6-176-45.1-43.8000113.7P4 I8P4-D6 PolarHBondContact O-N 3.49Å; D6-I8 PolarHBondContact O-N 3.07Å
7H89.7Confident87Confident113 Ų113104 Ų10452%0.52354%0.541SS..  trans-71.5105.6176.1179.153.8000112P4 S5 K9P4-H7 PolarHBondContact O-N 3.48Å; P4-H7 VanDerWaalsContact O-N 3.08Å; S5-H7 VanDerWaalsContact C-N 3.28Å; S5-H7 PolarHBondContact O-N 3.29Å; H7-K9 PolarHBondContact O-N 3.3Å
8I94Very high87.6Confident57 Ų5798.9 Ų98.929%0.29251%0.514SS..  trans-64.4113.9174.3-57.9166.4000110.5D6 H68 H72 Y75D6-I8 PolarHBondContact O-N 3.07Å; I8-H68 WeakPolarHBondContact CG2-CE1 3.46Å; I8-H72 HydrophobicContact CD1-CB 4.15Å; I8-Y75 HydrophobicContact CB-CD2 3.92Å; I8-Y75 HydrophobicContact CB-CE2 4.03Å; I8-Y75 HydrophobicContact CD1-CD2 4.47Å; I8-Y75 HydrophobicContact CG2-CD2 3.44Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.44Å; I8-Y75 HydrophobicContact CG2-CE2 3.64Å; I8-Y75 HydrophobicContact CG2-CG 4.44Å
9K95Very high88.2Confident166 Ų16693.7 Ų93.772%0.72249%0.487SS*.PPolyproline II helixtrans-76152.4176.3-67.4-179.9-176.71700110.6H7 H68H7-K9 PolarHBondContact O-N 3.3Å; K9-H68 PolarHBondContact O-CE1 2.74Å; K9-H68 PolarHBondContact O-NE2 3.4Å
10R96.9Very high88.6Confident146 Ų14697.9 Ų97.955%0.55150%0.496SS*.PPolyproline II helixtrans-64.2146.3174.4-60.1174.8-161.3-151.821.3111Y75 Y77R10-Y75 VanDerWaalsContact CG-OH 3.23Å; R10-Y75 WeakPolarHBondContact CG-OH 3.41Å; R10-Y77 PolarHBondContact NH1-OH 3.01Å; R10-Y77 VanDerWaalsContact NH1-OH 3.11Å; R10-Y77 PolarHBondContact NH2-OH 3.03Å
11P97.9Very high89.1Confident44 Ų4494.9 Ų94.929%0.28649%0.489SS..PPolyproline II helixtrans-64.4146.1170.128-32.5000110H68P11-H68 HydrophobicContact CB-CB 4.06Å; P11-H68 HydrophobicContact CG-CB 4.25Å
12M97.9Very high91.5Very high70 Ų7085.8 Ų85.835%0.34544%0.444SS..PPolyproline II helixtrans-70.8134.6179-68.3-174.4-65.700110.3M16 V17 L64M12-M16 HydrophobicContact CB-CB 3.92Å; M12-M16 HydrophobicContact CG-CB 4.18Å; M12-V17 HydrophobicContact CB-CG2 3.78Å; M12-V17 HydrophobicContact CE-CG2 4.38Å; M12-L64 HydrophobicContact CB-CD1 4.36Å; M12-L64 HydrophobicContact CE-CD1 4.04Å
13N98.5Very high93Very high91 Ų9183.6 Ų83.649%0.48742%0.418SS..PPolyproline II helixtrans-78.2173.7168.471.67.5000110.8F15 M16 V17N13-F15 VanDerWaalsContact C-N 3.35Å; N13-F15 PolarHBondContact O-N 3Å; N13-F15 PolarHBondContact OD1-N 3.29Å; N13-M16 PolarHBondContact O-N 3.18Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 2.97Å; N13-M16 PolarHBondContact OD1-N 2.8Å; N13-V17 WeakPolarHBondContact O-CG2 3.3Å; N13-V17 PolarHBondContact O-N 3.21Å
14A98.3Very high94.4Very high17 Ų1783.5 Ų83.514%0.1441%0.412CS..Hα-helixtrans-53.7-47.5-17600000113.3M16 V17 W18 W46 I58 A61A14-M16 PolarHBondContact O-N 3.47Å; A14-V17 PolarHBondContact O-N 3.08Å; A14-W18 PolarHBondContact O-N 2.93Å; A14-W46 HydrophobicContact CB-CH2 4.02Å; A14-W46 HydrophobicContact CB-CZ2 4.03Å; A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.83Å; A14-A61 HydrophobicContact CB-CB 4.18Å; A14-A61 VanDerWaalsContact N-CB 3.31Å
15F98.6Very high95.6Very high47 Ų4784 Ų8421%0.20640%0.404CS..Hα-helixtrans-61.3-41.5177.2172.7-103.3000112.5N13 V17 W18 S19 W46N13-F15 VanDerWaalsContact C-N 3.35Å; N13-F15 PolarHBondContact O-N 3Å; N13-F15 PolarHBondContact OD1-N 3.29Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-W18 AromaticContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.1Å; F15-W18 AromaticContact CE2-CZ3 3.83Å; F15-W18 HydrophobicContact CE2-CZ3 3.83Å; F15-W18 PolarHBondContact O-N 3.08Å; F15-S19 WeakPolarHBondContact O-CB 3.24Å; F15-S19 PolarHBondContact O-N 3.22Å; F15-S19 PolarHBondContact O-OG 2.92Å; F15-W46 HydrophobicContact CB-CD2 4.44Å; F15-W46 HydrophobicContact CD2-CB 3.81Å; F15-W46 AromaticContact CD2-CD1 3.93Å; F15-W46 AromaticContact CD2-CD2 3.93Å; F15-W46 HydrophobicContact CD2-CD2 3.93Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.58Å; F15-W46 HydrophobicContact CD2-CG 3.58Å; F15-W46 HydrophobicContact CE2-CB 3.96Å; F15-W46 HydrophobicContact CE2-CG 4.24Å
16M98.4Very high96.6Very high91 Ų9179 Ų7945%0.44837%0.368SS..Hα-helixtrans-68.2-33.8179.1-69.5-66.1-178.400112.2M12 N13 A14 S19 R20M12-M16 HydrophobicContact CB-CB 3.92Å; M12-M16 HydrophobicContact CG-CB 4.18Å; N13-M16 PolarHBondContact O-N 3.18Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 2.97Å; N13-M16 PolarHBondContact OD1-N 2.8Å; A14-M16 PolarHBondContact O-N 3.47Å; M16-S19 WeakPolarHBondContact CA-OG 3.49Å; M16-S19 PolarHBondContact O-OG 3.31Å; M16-R20 PolarHBondContact O-N 3.21Å
17V98.4Very high97.1Very high26 Ų2674.2 Ų74.216%0.15835%0.348CS..Hα-helixtrans-65.2-53.2173.6176.80000110.3M12 N13 A14 F15 Y57 E60 A61 L64M12-V17 HydrophobicContact CB-CG2 3.78Å; M12-V17 HydrophobicContact CE-CG2 4.38Å; N13-V17 WeakPolarHBondContact O-CG2 3.3Å; N13-V17 PolarHBondContact O-N 3.21Å; A14-V17 PolarHBondContact O-N 3.08Å; F15-V17 VanDerWaalsContact C-N 3.34Å; V17-Y57 HydrophobicContact CG1-CD1 4.18Å; V17-E60 HydrophobicContact CG1-CB 4.31Å; V17-E60 HydrophobicContact CG1-CG 3.77Å; V17-E60 HydrophobicContact CG2-CG 4.5Å; V17-A61 HydrophobicContact CG2-CB 4.41Å; V17-L64 HydrophobicContact CG2-CD1 3.7Å
18W98.5Very high97.4Very high13 Ų1375.6 Ų75.65%0.04936%0.355CS..Hα-helixtrans-62.7-49.7180170.479.9000112.7A14 F15 R20 G21 Q22 L42 E45 W46 L49 Y57A14-W18 PolarHBondContact O-N 2.93Å; F15-W18 AromaticContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.1Å; F15-W18 AromaticContact CE2-CZ3 3.83Å; F15-W18 HydrophobicContact CE2-CZ3 3.83Å; F15-W18 PolarHBondContact O-N 3.08Å; W18-R20 PolarHBondContact O-N 3.37Å; W18-R20 VanDerWaalsContact O-N 3.13Å; W18-G21 PolarHBondContact O-N 3.46Å; W18-Q22 HydrophobicContact CD2-CG 4.01Å; W18-Q22 HydrophobicContact CG-CG 4.44Å; W18-Q22 HydrophobicContact CH2-CG 4.29Å; W18-Q22 HydrophobicContact CZ2-CB 4.48Å; W18-Q22 HydrophobicContact CZ2-CG 3.69Å; W18-Q22 PolarHBondContact O-N 2.93Å; W18-L42 HydrophobicContact CH2-CB 4.25Å; W18-L42 HydrophobicContact CH2-CD2 3.92Å; W18-L42 VanDerWaalsContact CH2-O 3.29Å; W18-L42 WeakPolarHBondContact CH2-O 3.4Å; W18-L42 HydrophobicContact CZ3-CB 3.98Å; W18-L42 HydrophobicContact CZ3-CD2 4.19Å; W18-L42 VanDerWaalsContact CZ3-O 3.22Å; W18-L42 WeakPolarHBondContact CZ3-O 3.36Å; W18-E45 HydrophobicContact CH2-CB 3.83Å; W18-E45 HydrophobicContact CZ2-CB 4.23Å; W18-W46 HydrophobicContact CB-CE3 4.11Å; W18-W46 HydrophobicContact CB-CZ3 3.65Å; W18-W46 AromaticContact CD2-CE3 3.52Å; W18-W46 HydrophobicContact CD2-CE3 3.52Å; W18-W46 AromaticContact CD2-CZ3 3.94Å; W18-W46 HydrophobicContact CD2-CZ3 3.94Å; W18-W46 HydrophobicContact CE3-CB 4.21Å; W18-W46 HydrophobicContact CE3-CD2 4.24Å; W18-W46 AromaticContact CE3-CE3 3.53Å; W18-W46 HydrophobicContact CE3-CE3 3.53Å; W18-W46 HydrophobicContact CE3-CZ3 4.28Å; W18-W46 AromaticContact CG-CE3 3.8Å; W18-W46 HydrophobicContact CG-CE3 3.8Å; W18-W46 AromaticContact CG-CZ3 3.67Å; W18-W46 HydrophobicContact CG-CZ3 3.67Å; W18-W46 HydrophobicContact CH2-CB 4.1Å; W18-W46 HydrophobicContact CZ3-CB 3.72Å; W18-W46 HydrophobicContact CZ3-CE3 4.17Å; W18-W46 HydrophobicContact CZ3-CG 4.5Å; W18-L49 HydrophobicContact CD2-CD1 4.42Å; W18-L49 HydrophobicContact CZ2-CD1 3.81Å; W18-Y57 HydrophobicContact CB-CD1 3.82Å; W18-Y57 HydrophobicContact CB-CD2 4.1Å; W18-Y57 HydrophobicContact CB-CE1 4.17Å; W18-Y57 HydrophobicContact CB-CE2 4.43Å; W18-Y57 HydrophobicContact CB-CG 3.77Å; W18-Y57 AromaticContact CD1-CD2 3.87Å; W18-Y57 AromaticContact CD1-CE2 3.43Å; W18-Y57 VanDerWaalsContact CD1-CE2 3.43Å; W18-Y57 AromaticContact CD1-CZ 3.51Å; W18-Y57 HydrophobicContact CG-CD2 4.29Å; W18-Y57 HydrophobicContact CG-CE2 4.26Å; W18-Y57 HydrophobicContact CG-CG 4.43Å
19S98.3Very high97.5Very high0 Ų078.5 Ų78.50%037%0.367CS..Hα-helixtrans-65-20.2-175.161.90000113.3F15 M16 R23F15-S19 WeakPolarHBondContact O-CB 3.24Å; F15-S19 PolarHBondContact O-N 3.22Å; F15-S19 PolarHBondContact O-OG 2.92Å; M16-S19 WeakPolarHBondContact CA-OG 3.49Å; M16-S19 PolarHBondContact O-OG 3.31Å; S19-R23 WeakPolarHBondContact O-CB 3.42Å; S19-R23 PolarHBondContact O-N 3.33Å
20R97.4Very high97.4Very high176 Ų17673.6 Ų73.666%0.66435%0.348SS*.Hα-helixtrans-61.8-46.2176.5-173.4180-178.4-168.20.4111.8M16 W18 R24M16-R20 PolarHBondContact O-N 3.21Å; W18-R20 PolarHBondContact O-N 3.37Å; W18-R20 VanDerWaalsContact O-N 3.13Å; R20-R24 PolarHBondContact O-N 3.06Å
21G97.2Very high97.3Very high35 Ų3572 Ų7236%0.36136%0.357SS..Hα-helixtrans-69.9-47.1177.600000111.7W18 R24 K25W18-G21 PolarHBondContact O-N 3.46Å; G21-R24 WeakPolarHBondContact O-CB 3.46Å; G21-R24 PolarHBondContact O-N 3.34Å; G21-K25 PolarHBondContact O-N 3.13Å
22Q97.8Very high97.2Very high52 Ų5279.8 Ų79.824%0.24339%0.386CS..Hα-helixtrans-66.2-41-177.8-59.8-56.2-24.900112.8W18 R24 K25 M26 L42W18-Q22 HydrophobicContact CD2-CG 4.01Å; W18-Q22 HydrophobicContact CG-CG 4.44Å; W18-Q22 HydrophobicContact CH2-CG 4.29Å; W18-Q22 HydrophobicContact CZ2-CB 4.48Å; W18-Q22 HydrophobicContact CZ2-CG 3.69Å; W18-Q22 PolarHBondContact O-N 2.93Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 2.88Å; Q22-K25 PolarHBondContact O-N 3.09Å; Q22-M26 WeakPolarHBondContact O-CG 3.45Å; Q22-M26 PolarHBondContact O-N 3.21Å; Q22-L42 HydrophobicContact CB-CD2 3.34Å; Q22-L42 HydrophobicContact CG-CD2 4.33Å
23R97.9Very high97Very high73 Ų7378.2 Ų78.228%0.27538%0.379SS..Hα-helixtrans-58.8-40.2174.2-179.7-177.9-76.3140.11.7111.7S19 A27 N35 I38 S39 L42S19-R23 WeakPolarHBondContact O-CB 3.42Å; S19-R23 PolarHBondContact O-N 3.33Å; R23-A27 WeakPolarHBondContact O-CB 3.13Å; R23-A27 PolarHBondContact O-N 3.3Å; R23-N35 VanDerWaalsContact CD-ND2 3.26Å; R23-N35 WeakPolarHBondContact CD-ND2 3.42Å; R23-N35 PolarHBondContact NE-ND2 2.99Å; R23-I38 HydrophobicContact CB-CG2 4.37Å; R23-I38 HydrophobicContact CG-CG2 4.03Å; R23-S39 PolarHBondContact NH2-OG 3.41Å; R23-S39 VanDerWaalsContact NH2-OG 3.14Å; R23-L42 HydrophobicContact CB-CD1 3.77Å
24R97.4Very high96.8Very high174 Ų17480.1 Ų80.166%0.65738%0.384SS*.Hα-helixtrans-65.2-45.7177-176.3176.765.2-172.71111R20 G21 Q22 A27 Q28R20-R24 PolarHBondContact O-N 3.06Å; G21-R24 WeakPolarHBondContact O-CB 3.46Å; G21-R24 PolarHBondContact O-N 3.34Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 2.88Å; R24-A27 PolarHBondContact O-N 3.46Å; R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 2.88Å; R24-Q28 VanDerWaalsContact O-N 3.12Å
25K97.5Very high96.7Very high110 Ų11083 Ų8348%0.47840%0.397SS..Hα-helixtrans-58.4-53.3176.2-178.4-178.7173.4-174.70111.4G21 Q22 A27 Q28 E29G21-K25 PolarHBondContact O-N 3.13Å; Q22-K25 PolarHBondContact O-N 3.09Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.02Å; K25-Q28 PolarHBondContact O-N 2.94Å; K25-Q28 VanDerWaalsContact O-N 3.13Å; K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 WeakPolarHBondContact CG-OE1 3.41Å; K25-E29 PolarHBondContact O-N 3.13Å
26M96.3Very high96.7Very high16 Ų1683.9 Ų83.98%0.07941%0.41CS..Hα-helixtrans-61.9-36.9179.5-70.3-175.679.400113.4Q22 Q28 E29 N30 I38 R41 L42Q22-M26 WeakPolarHBondContact O-CG 3.45Å; Q22-M26 PolarHBondContact O-N 3.21Å; M26-Q28 VanDerWaalsContact C-N 3.32Å; M26-E29 PolarHBondContact O-N 3.06Å; M26-N30 WeakPolarHBondContact O-CB 3.29Å; M26-N30 PolarHBondContact O-N 3.12Å; M26-I38 HydrophobicContact CB-CG2 4.01Å; M26-I38 HydrophobicContact CE-CG2 4.42Å; M26-I38 HydrophobicContact SD-CG2 3.85Å; M26-R41 HydrophobicContact CE-CB 3.79Å; M26-R41 HydrophobicContact CE-CG 4.35Å; M26-L42 HydrophobicContact SD-CD1 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.45Å; M26-L42 WeakPolarHBondContact SD-CD2 3.42Å; M26-L42 HydrophobicContact SD-CG 3.74Å
27A96.5Very high96.6Very high41 Ų4182.8 Ų82.834%0.33940%0.403SS..Hα-helixtrans-69-30.3177.800000112.7R23 R24 K25 N30 P31 I38R23-A27 WeakPolarHBondContact O-CB 3.13Å; R23-A27 PolarHBondContact O-N 3.3Å; R24-A27 PolarHBondContact O-N 3.46Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.02Å; A27-N30 CarbonylContact O-C 3.46Å; A27-P31 WeakPolarHBondContact O-CA 3.42Å; A27-I38 HydrophobicContact CB-CD1 4.1Å
28Q96.8Very high96.6Very high143 Ų14381.8 Ų81.867%0.66840%0.397SS*.Hα-helixtrans-73.8-42.2174.3-72.2171.3-12.700111.5R24 K25 M26 N30R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 2.88Å; R24-Q28 VanDerWaalsContact O-N 3.12Å; K25-Q28 PolarHBondContact O-N 2.94Å; K25-Q28 VanDerWaalsContact O-N 3.13Å; M26-Q28 VanDerWaalsContact C-N 3.32Å; Q28-N30 VanDerWaalsContact C-N 3.34Å
29E96.3Very high96.5Very high117 Ų11782.9 Ų82.955%0.54741%0.407SS..Hα-helixtrans-69.6-31.9177.1-67.6169.7-176.900112.3K25 M26K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 WeakPolarHBondContact CG-OE1 3.41Å; K25-E29 PolarHBondContact O-N 3.13Å; M26-E29 PolarHBondContact O-N 3.06Å
30N93.2Very high96.5Very high63 Ų6389.2 Ų89.234%0.33743%0.434SS..  trans-130.771.6-176.4-61-94.5000111.3M26 A27 Q28 K32 M33M26-N30 WeakPolarHBondContact O-CB 3.29Å; M26-N30 PolarHBondContact O-N 3.12Å; A27-N30 CarbonylContact O-C 3.46Å; Q28-N30 VanDerWaalsContact C-N 3.34Å; N30-K32 PolarHBondContact O-N 2.99Å; N30-K32 VanDerWaalsContact O-N 3.09Å; N30-M33 HydrophobicContact CB-CB 3.74Å; N30-M33 HydrophobicContact CB-CE 3.89Å; N30-M33 WeakPolarHBondContact O-CB 3.38Å; N30-M33 PolarHBondContact O-N 2.95Å
31P94.3Very high96.5Very high112 Ų11286.3 Ų86.373%0.72742%0.423SS*.THydrogen-bonded Turntrans-64.1-20.2-174.324.7-34.6000113.9A27A27-P31 WeakPolarHBondContact O-CA 3.42Å
32K95.1Very high96.6Very high208 Ų20884.7 Ų84.790%0.90441%0.406SS*.THydrogen-bonded Turntrans-86.8-10.9176-62.8-176.3179.41790113.3N30N30-K32 PolarHBondContact O-N 2.99Å; N30-K32 VanDerWaalsContact O-N 3.09Å
33M94Very high96.6Very high38 Ų3883.3 Ų83.319%0.18741%0.406CS..SBendtrans-78.4126.8-176-170.1-179.5-64.200110.8N30 E37 I38 R41N30-M33 HydrophobicContact CB-CB 3.74Å; N30-M33 HydrophobicContact CB-CE 3.89Å; N30-M33 WeakPolarHBondContact O-CB 3.38Å; N30-M33 PolarHBondContact O-N 2.95Å; M33-E37 HydrophobicContact CG-CB 3.98Å; M33-E37 HydrophobicContact CG-CG 4.1Å; M33-E37 HydrophobicContact SD-CB 4.43Å; M33-E37 HydrophobicContact SD-CG 4.15Å; M33-I38 HydrophobicContact CB-CD1 4.48Å; M33-I38 HydrophobicContact CB-CG1 4.24Å; M33-I38 HydrophobicContact CG-CG1 3.82Å; M33-I38 HydrophobicContact SD-CG1 3.67Å; M33-R41 VanDerWaalsContact CE-CZ 3.45Å
34H95.9Very high96.6Very high130 Ų13082.4 Ų82.460%0.60241%0.414SS*.  trans-69.7143.9179.7-173.957.5000111.8S36 E37 I38H34-S36 VanDerWaalsContact CD2-CB 3.46Å; H34-S36 WeakPolarHBondContact CD2-CB 3.49Å; H34-S36 PolarHBondContact CD2-OG 3.19Å; H34-S36 VanDerWaalsContact CD2-OG 3.22Å; H34-S36 PolarHBondContact NE2-OG 3.02Å; H34-S36 PolarHBondContact O-N 3.1Å; H34-S36 VanDerWaalsContact O-N 3.13Å; H34-E37 WeakPolarHBondContact O-CA 3.34Å; H34-E37 WeakPolarHBondContact O-CB 3.41Å; H34-E37 PolarHBondContact O-N 3.21Å; H34-I38 PolarHBondContact O-N 3.36Å; H34-I38 VanDerWaalsContact O-N 3.1Å
35N96.2Very high96.7Very high77 Ų7777.7 Ų77.741%0.41240%0.4SS..Hα-helixtrans-58.8-30.8-175.6-171.4-99.7000113.9R23 E37 I38 S39R23-N35 VanDerWaalsContact CD-ND2 3.26Å; R23-N35 WeakPolarHBondContact CD-ND2 3.42Å; R23-N35 PolarHBondContact NE-ND2 2.99Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.29Å; N35-I38 PolarHBondContact O-N 3.31Å; N35-S39 WeakPolarHBondContact O-CB 3.35Å; N35-S39 PolarHBondContact O-N 2.88Å; N35-S39 PolarHBondContact O-OG 2.86Å
36S97Very high96.7Very high67 Ų6774.5 Ų74.547%0.46939%0.385SS..Hα-helixtrans-61.4-39174-54.10000111.4H34 K40H34-S36 VanDerWaalsContact CD2-CB 3.46Å; H34-S36 WeakPolarHBondContact CD2-CB 3.49Å; H34-S36 PolarHBondContact CD2-OG 3.19Å; H34-S36 VanDerWaalsContact CD2-OG 3.22Å; H34-S36 PolarHBondContact NE2-OG 3.02Å; H34-S36 PolarHBondContact O-N 3.1Å; H34-S36 VanDerWaalsContact O-N 3.13Å; S36-K40 WeakPolarHBondContact O-CG 3.09Å; S36-K40 PolarHBondContact O-N 3.23Å
37E97.6Very high96.8Very high68 Ų6881.9 Ų81.932%0.31842%0.416SS..Hα-helixtrans-73.5-43.4177.7-169.555-14700111.5M33 H34 N35 S39 K40 R41M33-E37 HydrophobicContact CG-CB 3.98Å; M33-E37 HydrophobicContact CG-CG 4.1Å; M33-E37 HydrophobicContact SD-CB 4.43Å; M33-E37 HydrophobicContact SD-CG 4.15Å; H34-E37 WeakPolarHBondContact O-CA 3.34Å; H34-E37 WeakPolarHBondContact O-CB 3.41Å; H34-E37 PolarHBondContact O-N 3.21Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.29Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.14Å; E37-K40 WeakPolarHBondContact O-CB 3.31Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 VanDerWaalsContact O-N 3.14Å; E37-K40 IonicContact OE2-NZ 2.88Å; E37-K40 PolarHBondContact OE2-NZ 3.25Å; E37-R41 PolarHBondContact O-N 2.86Å; E37-R41 IonicContact OE1-NE 3.83Å
38I97.8Very high96.8Very high4 Ų487 Ų872%0.02144%0.437CS..Hα-helixtrans-54.4-46.3172.6-62.1174.9000110.2R23 M26 A27 M33 H34 N35 K40 R41 L42R23-I38 HydrophobicContact CB-CG2 4.37Å; R23-I38 HydrophobicContact CG-CG2 4.03Å; M26-I38 HydrophobicContact CB-CG2 4.01Å; M26-I38 HydrophobicContact CE-CG2 4.42Å; M26-I38 HydrophobicContact SD-CG2 3.85Å; A27-I38 HydrophobicContact CB-CD1 4.1Å; M33-I38 HydrophobicContact CB-CD1 4.48Å; M33-I38 HydrophobicContact CB-CG1 4.24Å; M33-I38 HydrophobicContact CG-CG1 3.82Å; M33-I38 HydrophobicContact SD-CG1 3.67Å; H34-I38 PolarHBondContact O-N 3.36Å; H34-I38 VanDerWaalsContact O-N 3.1Å; N35-I38 PolarHBondContact O-N 3.31Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3Å; I38-R41 PolarHBondContact O-N 2.94Å; I38-L42 HydrophobicContact CG2-CD1 3.85Å; I38-L42 HydrophobicContact CG2-CG 4.23Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 2.83Å; I38-L42 PolarHBondContact O-N 3.07Å
39S97.4Very high96.9Very high36 Ų3681.9 Ų81.925%0.25241%0.414SS..Hα-helixtrans-66.3-30.5-178.1-61.20000113.3R23 N35 E37 G43R23-S39 PolarHBondContact NH2-OG 3.41Å; R23-S39 VanDerWaalsContact NH2-OG 3.14Å; N35-S39 WeakPolarHBondContact O-CB 3.35Å; N35-S39 PolarHBondContact O-N 2.88Å; N35-S39 PolarHBondContact O-OG 2.86Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.14Å; S39-G43 PolarHBondContact O-N 2.98Å; S39-G43 VanDerWaalsContact O-N 3.1Å
40K98Very high97Very high134 Ų13479 Ų7958%0.58341%0.407SS*.Hα-helixtrans-65.6-48.5173.1-69.6175.7-160.9161.30111.5S36 E37 I38 G43 A44S36-K40 WeakPolarHBondContact O-CG 3.09Å; S36-K40 PolarHBondContact O-N 3.23Å; E37-K40 WeakPolarHBondContact O-CB 3.31Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 VanDerWaalsContact O-N 3.14Å; E37-K40 IonicContact OE2-NZ 2.88Å; E37-K40 PolarHBondContact OE2-NZ 3.25Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3Å; K40-G43 PolarHBondContact O-N 3.18Å; K40-A44 PolarHBondContact O-N 3.03Å; K40-A44 VanDerWaalsContact O-N 3.13Å
41R97.6Very high97.2Very high115 Ų11581.4 Ų81.443%0.43442%0.416SS..Hα-helixtrans-62.2-45.8-179.9-65.1-174-174.1-161.13.8111.7M26 M33 E37 I38 G43 A44 E45M26-R41 HydrophobicContact CE-CB 3.79Å; M26-R41 HydrophobicContact CE-CG 4.35Å; M33-R41 VanDerWaalsContact CE-CZ 3.45Å; E37-R41 PolarHBondContact O-N 2.86Å; E37-R41 IonicContact OE1-NE 3.83Å; I38-R41 PolarHBondContact O-N 2.94Å; R41-G43 VanDerWaalsContact C-N 3.28Å; R41-G43 PolarHBondContact O-N 3.29Å; R41-A44 WeakPolarHBondContact O-CB 3.43Å; R41-A44 PolarHBondContact O-N 3.5Å; R41-E45 PolarHBondContact O-N 3.46Å
42L98.1Very high97.4Very high0 Ų079.6 Ų79.60%041%0.411CS..Hα-helixtrans-58.7-38.8174-68.1178.5000112.7W18 Q22 R23 M26 I38 A44 W46W18-L42 HydrophobicContact CH2-CB 4.25Å; W18-L42 HydrophobicContact CH2-CD2 3.92Å; W18-L42 VanDerWaalsContact CH2-O 3.29Å; W18-L42 WeakPolarHBondContact CH2-O 3.4Å; W18-L42 HydrophobicContact CZ3-CB 3.98Å; W18-L42 HydrophobicContact CZ3-CD2 4.19Å; W18-L42 VanDerWaalsContact CZ3-O 3.22Å; W18-L42 WeakPolarHBondContact CZ3-O 3.36Å; Q22-L42 HydrophobicContact CB-CD2 3.34Å; Q22-L42 HydrophobicContact CG-CD2 4.33Å; R23-L42 HydrophobicContact CB-CD1 3.77Å; M26-L42 HydrophobicContact SD-CD1 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.45Å; M26-L42 WeakPolarHBondContact SD-CD2 3.42Å; M26-L42 HydrophobicContact SD-CG 3.74Å; I38-L42 HydrophobicContact CG2-CD1 3.85Å; I38-L42 HydrophobicContact CG2-CG 4.23Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 2.83Å; I38-L42 PolarHBondContact O-N 3.07Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.27Å; L42-W46 WeakPolarHBondContact O-CB 3.22Å; L42-W46 PolarHBondContact O-N 3.27Å
43G98.2Very high97.5Very high23 Ų2374.4 Ų74.424%0.23739%0.389CS..Hα-helixtrans-64.1-33.9175.600000113.2S39 K40 R41 K47S39-G43 PolarHBondContact O-N 2.98Å; S39-G43 VanDerWaalsContact O-N 3.1Å; K40-G43 PolarHBondContact O-N 3.18Å; R41-G43 VanDerWaalsContact C-N 3.28Å; R41-G43 PolarHBondContact O-N 3.29Å; G43-K47 WeakPolarHBondContact O-CG 3.49Å
44A98.2Very high97.7Very high54 Ų5474 Ų7445%0.44639%0.387SS..Hα-helixtrans-72.6-49.3174.900000111.4K40 R41 L42 W46 K47 L48K40-A44 PolarHBondContact O-N 3.03Å; K40-A44 VanDerWaalsContact O-N 3.13Å; R41-A44 WeakPolarHBondContact O-CB 3.43Å; R41-A44 PolarHBondContact O-N 3.5Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.27Å; A44-W46 VanDerWaalsContact C-N 3.32Å; A44-W46 PolarHBondContact O-N 3.42Å; A44-K47 WeakPolarHBondContact O-CB 3.32Å; A44-K47 PolarHBondContact O-N 2.72Å; A44-K47 VanDerWaalsContact O-N 3.08Å; A44-L48 PolarHBondContact O-N 3.13Å
45E98Very high97.8Very high76 Ų7675.4 Ų75.436%0.35539%0.387SS..Hα-helixtrans-57.5-43.3176.7-74172.8-149.100112.1W18 R41 K47 L48 L49W18-E45 HydrophobicContact CH2-CB 3.83Å; W18-E45 HydrophobicContact CZ2-CB 4.23Å; R41-E45 PolarHBondContact O-N 3.46Å; E45-K47 PolarHBondContact O-N 2.83Å; E45-L48 WeakPolarHBondContact O-CB 3.47Å; E45-L48 PolarHBondContact O-N 3.41Å; E45-L49 PolarHBondContact O-N 2.88Å; E45-L49 VanDerWaalsContact O-N 3.08Å
46W98.4Very high97.9Very high43 Ų4375.3 Ų75.316%0.16339%0.391CS..Hα-helixtrans-58.2-34.9177179.3-105.1000113A14 F15 W18 L42 A44 L48 L49 K54 Y57A14-W46 HydrophobicContact CB-CH2 4.02Å; A14-W46 HydrophobicContact CB-CZ2 4.03Å; F15-W46 HydrophobicContact CB-CD2 4.44Å; F15-W46 HydrophobicContact CD2-CB 3.81Å; F15-W46 AromaticContact CD2-CD1 3.93Å; F15-W46 AromaticContact CD2-CD2 3.93Å; F15-W46 HydrophobicContact CD2-CD2 3.93Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.58Å; F15-W46 HydrophobicContact CD2-CG 3.58Å; F15-W46 HydrophobicContact CE2-CB 3.96Å; F15-W46 HydrophobicContact CE2-CG 4.24Å; W18-W46 HydrophobicContact CB-CE3 4.11Å; W18-W46 HydrophobicContact CB-CZ3 3.65Å; W18-W46 AromaticContact CD2-CE3 3.52Å; W18-W46 HydrophobicContact CD2-CE3 3.52Å; W18-W46 AromaticContact CD2-CZ3 3.94Å; W18-W46 HydrophobicContact CD2-CZ3 3.94Å; W18-W46 HydrophobicContact CE3-CB 4.21Å; W18-W46 HydrophobicContact CE3-CD2 4.24Å; W18-W46 AromaticContact CE3-CE3 3.53Å; W18-W46 HydrophobicContact CE3-CE3 3.53Å; W18-W46 HydrophobicContact CE3-CZ3 4.28Å; W18-W46 AromaticContact CG-CE3 3.8Å; W18-W46 HydrophobicContact CG-CE3 3.8Å; W18-W46 AromaticContact CG-CZ3 3.67Å; W18-W46 HydrophobicContact CG-CZ3 3.67Å; W18-W46 HydrophobicContact CH2-CB 4.1Å; W18-W46 HydrophobicContact CZ3-CB 3.72Å; W18-W46 HydrophobicContact CZ3-CE3 4.17Å; W18-W46 HydrophobicContact CZ3-CG 4.5Å; L42-W46 WeakPolarHBondContact O-CB 3.22Å; L42-W46 PolarHBondContact O-N 3.27Å; A44-W46 VanDerWaalsContact C-N 3.32Å; A44-W46 PolarHBondContact O-N 3.42Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L49 HydrophobicContact CE3-CD1 3.88Å; W46-L49 HydrophobicContact CZ3-CD1 4.26Å; W46-K54 HydrophobicContact CE3-CG 4.48Å; W46-K54 HydrophobicContact CH2-CB 4.02Å; W46-K54 HydrophobicContact CH2-CD 4.4Å; W46-K54 HydrophobicContact CH2-CG 3.69Å; W46-K54 HydrophobicContact CZ2-CB 4.42Å; W46-K54 HydrophobicContact CZ2-CD 4.13Å; W46-K54 HydrophobicContact CZ2-CG 3.93Å; W46-K54 HydrophobicContact CZ3-CG 3.98Å; W46-K54 WeakPolarHBondContact O-CE 3.26Å; W46-K54 PolarHBondContact O-NZ 3.36Å; W46-Y57 HydrophobicContact CZ3-CD2 4.26Å
47K97.9Very high98Very high170 Ų17075.8 Ų75.874%0.73938%0.382SS*.Hα-helixtrans-71.2-32.2177.4-70.4175.8-179.6-175.40111.8G43 A44 E45G43-K47 WeakPolarHBondContact O-CG 3.49Å; A44-K47 WeakPolarHBondContact O-CB 3.32Å; A44-K47 PolarHBondContact O-N 2.72Å; A44-K47 VanDerWaalsContact O-N 3.08Å; E45-K47 PolarHBondContact O-N 2.83Å
48L98Very high98Very high150 Ų15074.5 Ų74.579%0.78538%0.377SS*.Hα-helixtrans-76.6-28.3-179.8-65173000113.4A44 E45 W46 S50A44-L48 PolarHBondContact O-N 3.13Å; E45-L48 WeakPolarHBondContact O-CB 3.47Å; E45-L48 PolarHBondContact O-N 3.41Å; W46-L48 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 3.43Å
49L97.5Very high98.1Very high35 Ų3578.1 Ų78.118%0.18340%0.397CS..SBendtrans-58.4136.5176.7-68.6174.1000111.6W18 E45 W46 E53 K54W18-L49 HydrophobicContact CD2-CD1 4.42Å; W18-L49 HydrophobicContact CZ2-CD1 3.81Å; E45-L49 PolarHBondContact O-N 2.88Å; E45-L49 VanDerWaalsContact O-N 3.08Å; W46-L49 HydrophobicContact CE3-CD1 3.88Å; W46-L49 HydrophobicContact CZ3-CD1 4.26Å; L49-E53 HydrophobicContact CB-CB 4.32Å; L49-E53 HydrophobicContact CD2-CB 4.2Å; L49-K54 HydrophobicContact CB-CG 4.12Å; L49-K54 VanDerWaalsContact O-CE 3.24Å; L49-K54 WeakPolarHBondContact O-CE 3.45Å; L49-K54 PolarHBondContact O-NZ 3.45Å
50S98.2Very high98.1Very high56 Ų5679.4 Ų79.439%0.39240%0.399SS..  trans-65.7159.9173.466.60000111.5L48 A52 E53 K54L48-S50 PolarHBondContact O-N 3.43Å; S50-A52 PolarHBondContact O-N 2.72Å; S50-E53 WeakPolarHBondContact CB-OE2 3.48Å; S50-E53 PolarHBondContact N-OE2 3.1Å; S50-E53 PolarHBondContact O-N 2.88Å; S50-E53 VanDerWaalsContact OG-CG 3.3Å; S50-E53 WeakPolarHBondContact OG-CG 3.27Å; S50-E53 PolarHBondContact OG-N 3.13Å; S50-E53 PolarHBondContact OG-OE2 2.77Å; S50-K54 WeakPolarHBondContact O-CG 3.39Å; S50-K54 PolarHBondContact O-N 3.46Å
51E97.4Very high98.1Very high113 Ų11373.5 Ų73.553%0.52838%0.375SS..Hα-helixtrans-61.1-33.9176.2-169.358.4-153.700111.5E53 K54 R55 I58E51-E53 PolarHBondContact O-N 3.4Å; E51-K54 PolarHBondContact O-N 3.43Å; E51-R55 WeakPolarHBondContact O-CG 3.2Å; E51-R55 PolarHBondContact O-N 2.97Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.27Å
52A98.2Very high98.2Very high74 Ų7474 Ų7461%0.61238%0.38SS*.Hα-helixtrans-60.6-43.7175.400000112.1S50 K54 R55S50-A52 PolarHBondContact O-N 2.72Å; A52-K54 VanDerWaalsContact C-N 3.33Å; A52-R55 PolarHBondContact O-N 2.99Å
53E98Very high98.2Very high99 Ų9979.5 Ų79.546%0.46340%0.401SS..Hα-helixtrans-70.7-30176.5-68.5165.8112.200112.4L49 S50 E51 P56 Y57L49-E53 HydrophobicContact CB-CB 4.32Å; L49-E53 HydrophobicContact CD2-CB 4.2Å; S50-E53 WeakPolarHBondContact CB-OE2 3.48Å; S50-E53 PolarHBondContact N-OE2 3.1Å; S50-E53 PolarHBondContact O-N 2.88Å; S50-E53 VanDerWaalsContact OG-CG 3.3Å; S50-E53 WeakPolarHBondContact OG-CG 3.27Å; S50-E53 PolarHBondContact OG-N 3.13Å; S50-E53 PolarHBondContact OG-OE2 2.77Å; E51-E53 PolarHBondContact O-N 3.4Å; E53-P56 WeakPolarHBondContact O-CD 3.14Å; E53-P56 WeakPolarHBondContact O-CG 3.48Å; E53-Y57 WeakPolarHBondContact O-CD2 3.29Å; E53-Y57 WeakPolarHBondContact O-CE2 3.38Å
54K98.4Very high98.2Very high29 Ų2980 Ų8013%0.12640%0.399CS..Hα-helixtrans-74.9-30.6176.8-70.6169.1171.1147.10112.8W46 L49 S50 E51 A52 Y57 I58W46-K54 HydrophobicContact CE3-CG 4.48Å; W46-K54 HydrophobicContact CH2-CB 4.02Å; W46-K54 HydrophobicContact CH2-CD 4.4Å; W46-K54 HydrophobicContact CH2-CG 3.69Å; W46-K54 HydrophobicContact CZ2-CB 4.42Å; W46-K54 HydrophobicContact CZ2-CD 4.13Å; W46-K54 HydrophobicContact CZ2-CG 3.93Å; W46-K54 HydrophobicContact CZ3-CG 3.98Å; W46-K54 WeakPolarHBondContact O-CE 3.26Å; W46-K54 PolarHBondContact O-NZ 3.36Å; L49-K54 HydrophobicContact CB-CG 4.12Å; L49-K54 VanDerWaalsContact O-CE 3.24Å; L49-K54 WeakPolarHBondContact O-CE 3.45Å; L49-K54 PolarHBondContact O-NZ 3.45Å; S50-K54 WeakPolarHBondContact O-CG 3.39Å; S50-K54 PolarHBondContact O-N 3.46Å; E51-K54 PolarHBondContact O-N 3.43Å; A52-K54 VanDerWaalsContact C-N 3.33Å; K54-Y57 PolarHBondContact O-N 3.41Å; K54-I58 HydrophobicContact CB-CD1 3.8Å; K54-I58 HydrophobicContact CB-CG1 4.36Å; K54-I58 WeakPolarHBondContact O-CG1 3.44Å; K54-I58 PolarHBondContact O-N 2.82Å
55R98.2Very high98.2Very high160 Ų16085.6 Ų85.660%0.60441%0.408SS*.Hα-helixtrans-45.6-52.8-176.4-73.6-142.8177.6159.8-0.1115.1E51 A52 Y57 I58 D59E51-R55 WeakPolarHBondContact O-CG 3.2Å; E51-R55 PolarHBondContact O-N 2.97Å; A52-R55 PolarHBondContact O-N 2.99Å; R55-Y57 PolarHBondContact O-N 3.44Å; R55-I58 PolarHBondContact O-N 2.88Å; R55-D59 PolarHBondContact O-N 2.91Å
56P98.3Very high98.2Very high76 Ų7685 Ų8549%0.49442%0.416SS..Hα-helixtrans-57.8-35.3-179.721.3-34.2000112.8E53 E60E53-P56 WeakPolarHBondContact O-CD 3.14Å; E53-P56 WeakPolarHBondContact O-CG 3.48Å; P56-E60 VanDerWaalsContact O-CB 3.27Å; P56-E60 WeakPolarHBondContact O-CB 2.99Å; P56-E60 PolarHBondContact O-N 3.22Å
57Y98.5Very high98.2Very high76 Ų7686.3 Ų86.330%0.29842%0.424SS..Hα-helixtrans-79.3-30.8178.6-52.7-68.8000112.9V17 W18 W46 E53 K54 R55 A61V17-Y57 HydrophobicContact CG1-CD1 4.18Å; W18-Y57 HydrophobicContact CB-CD1 3.82Å; W18-Y57 HydrophobicContact CB-CD2 4.1Å; W18-Y57 HydrophobicContact CB-CE1 4.17Å; W18-Y57 HydrophobicContact CB-CE2 4.43Å; W18-Y57 HydrophobicContact CB-CG 3.77Å; W18-Y57 AromaticContact CD1-CD2 3.87Å; W18-Y57 AromaticContact CD1-CE2 3.43Å; W18-Y57 VanDerWaalsContact CD1-CE2 3.43Å; W18-Y57 AromaticContact CD1-CZ 3.51Å; W18-Y57 HydrophobicContact CG-CD2 4.29Å; W18-Y57 HydrophobicContact CG-CE2 4.26Å; W18-Y57 HydrophobicContact CG-CG 4.43Å; W46-Y57 HydrophobicContact CZ3-CD2 4.26Å; E53-Y57 WeakPolarHBondContact O-CD2 3.29Å; E53-Y57 WeakPolarHBondContact O-CE2 3.38Å; K54-Y57 PolarHBondContact O-N 3.41Å; R55-Y57 PolarHBondContact O-N 3.44Å; Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.49Å; Y57-A61 PolarHBondContact O-N 3.29Å
58I98.3Very high98.2Very high41 Ų4179 Ų7921%0.2139%0.393CS..Hα-helixtrans-66.7-46.8172.6-68.4169.1000110A14 E51 K54 R55 A61 K62A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.83Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.27Å; K54-I58 HydrophobicContact CB-CD1 3.8Å; K54-I58 HydrophobicContact CB-CG1 4.36Å; K54-I58 WeakPolarHBondContact O-CG1 3.44Å; K54-I58 PolarHBondContact O-N 2.82Å; R55-I58 PolarHBondContact O-N 2.88Å; I58-A61 PolarHBondContact O-N 3.04Å; I58-K62 WeakPolarHBondContact O-CG 3.32Å; I58-K62 PolarHBondContact O-N 3.14Å
59D98.5Very high98.1Very high80 Ų8076 Ų7643%0.42838%0.375SS..Hα-helixtrans-69.2-38.4-179.6-66.2-25.8000111.4R55 A61 K62 R63R55-D59 PolarHBondContact O-N 2.91Å; D59-A61 PolarHBondContact O-N 3.01Å; D59-K62 WeakPolarHBondContact O-CB 3.39Å; D59-K62 PolarHBondContact O-N 3.22Å; D59-K62 IonicContact OD1-NZ 3.06Å; D59-K62 PolarHBondContact OD1-NZ 3.2Å; D59-R63 WeakPolarHBondContact O-CB 3.12Å; D59-R63 PolarHBondContact O-N 2.85Å
60E98.3Very high98.1Very high63 Ų6383.2 Ų83.229%0.29441%0.405SS..Hα-helixtrans-63.2-41.3171.4179.157.3-166.600112.1V17 P56 K62 R63 L64V17-E60 HydrophobicContact CG1-CB 4.31Å; V17-E60 HydrophobicContact CG1-CG 3.77Å; V17-E60 HydrophobicContact CG2-CG 4.5Å; P56-E60 VanDerWaalsContact O-CB 3.27Å; P56-E60 WeakPolarHBondContact O-CB 2.99Å; P56-E60 PolarHBondContact O-N 3.22Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 2.85Å; E60-R63 WeakPolarHBondContact O-CB 3.4Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-CZ 3.48Å; E60-R63 IonicContact OE1-NE 3.4Å; E60-R63 PolarHBondContact OE1-NE 3.41Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NE 2.77Å; E60-R63 PolarHBondContact OE2-NE 2.91Å; E60-R63 IonicContact OE2-NH2 3.65Å; E60-L64 HydrophobicContact CG-CD1 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.46Å; E60-L64 WeakPolarHBondContact O-CG 3.38Å; E60-L64 PolarHBondContact O-N 3.04Å
61A98.6Very high98Very high11 Ų1185.8 Ų85.89%0.09141%0.411CS..Hα-helixtrans-64.1-37.1174.900000112.5A14 V17 Y57 I58 D59 R65A14-A61 HydrophobicContact CB-CB 4.18Å; A14-A61 VanDerWaalsContact N-CB 3.31Å; V17-A61 HydrophobicContact CG2-CB 4.41Å; Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.49Å; Y57-A61 PolarHBondContact O-N 3.29Å; I58-A61 PolarHBondContact O-N 3.04Å; D59-A61 PolarHBondContact O-N 3.01Å; A61-R65 WeakPolarHBondContact O-CB 3.32Å; A61-R65 PolarHBondContact O-N 3.24Å
62K98.5Very high98Very high124 Ų12483.4 Ų83.454%0.53940%0.4SS..Hα-helixtrans-63.7-44.8172.1-71171.6-170.6159.40111I58 D59 E60 R65 A66I58-K62 WeakPolarHBondContact O-CG 3.32Å; I58-K62 PolarHBondContact O-N 3.14Å; D59-K62 WeakPolarHBondContact O-CB 3.39Å; D59-K62 PolarHBondContact O-N 3.22Å; D59-K62 IonicContact OD1-NZ 3.06Å; D59-K62 PolarHBondContact OD1-NZ 3.2Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 2.85Å; K62-R65 WeakPolarHBondContact O-CB 3.45Å; K62-R65 PolarHBondContact O-N 3.33Å; K62-A66 PolarHBondContact O-N 2.74Å
63R98.5Very high97.9Very high116 Ų11684.8 Ų84.844%0.43840%0.402SS..Hα-helixtrans-59.2-49.1177-167.8-164.569.872.14.7111.2D59 E60 R65 A66 Q67D59-R63 WeakPolarHBondContact O-CB 3.12Å; D59-R63 PolarHBondContact O-N 2.85Å; E60-R63 WeakPolarHBondContact O-CB 3.4Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-CZ 3.48Å; E60-R63 IonicContact OE1-NE 3.4Å; E60-R63 PolarHBondContact OE1-NE 3.41Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NE 2.77Å; E60-R63 PolarHBondContact OE2-NE 2.91Å; E60-R63 IonicContact OE2-NH2 3.65Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.25Å; R63-A66 PolarHBondContact O-N 3.03Å; R63-Q67 WeakPolarHBondContact O-CB 3.37Å; R63-Q67 PolarHBondContact O-N 3.42Å
64L98.3Very high97.7Very high35 Ų3587.6 Ų87.618%0.18342%0.421CS..Hα-helixtrans-60.6-39.5176.4-73.1171.7000112M12 V17 E60 H68M12-L64 HydrophobicContact CB-CD1 4.36Å; M12-L64 HydrophobicContact CE-CD1 4.04Å; V17-L64 HydrophobicContact CG2-CD1 3.7Å; E60-L64 HydrophobicContact CG-CD1 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.46Å; E60-L64 WeakPolarHBondContact O-CG 3.38Å; E60-L64 PolarHBondContact O-N 3.04Å; L64-H68 WeakPolarHBondContact O-CB 3.35Å; L64-H68 PolarHBondContact O-N 3.32Å
65R97.9Very high97.6Very high170 Ų17088.6 Ų88.664%0.64242%0.424SS*.Hα-helixtrans-63.8-46.6175-173.3-177.9-177.5-157.4-0.2111.5A61 K62 R63 H68 M69A61-R65 WeakPolarHBondContact O-CB 3.32Å; A61-R65 PolarHBondContact O-N 3.24Å; K62-R65 WeakPolarHBondContact O-CB 3.45Å; K62-R65 PolarHBondContact O-N 3.33Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.25Å; R65-H68 PolarHBondContact O-N 2.92Å; R65-M69 WeakPolarHBondContact O-CG 3.35Å; R65-M69 PolarHBondContact O-N 2.91Å
66A97.9Very high97.5Very high63 Ų6387.7 Ų87.752%0.52142%0.424SS..Hα-helixtrans-63.7-45.6178.900000111.8K62 R63 H68 M69 K70K62-A66 PolarHBondContact O-N 2.74Å; R63-A66 PolarHBondContact O-N 3.03Å; A66-H68 VanDerWaalsContact C-N 3.31Å; A66-H68 PolarHBondContact O-N 3.11Å; A66-M69 PolarHBondContact O-N 2.95Å; A66-K70 PolarHBondContact O-N 3.06Å
67Q98Very high97.4Very high72 Ų7289.6 Ų89.634%0.33642%0.423SS..Hα-helixtrans-57.2-45.8173.9-179.8178.1-15.200111R63 M69 K70 E71R63-Q67 WeakPolarHBondContact O-CB 3.37Å; R63-Q67 PolarHBondContact O-N 3.42Å; Q67-M69 PolarHBondContact O-N 3.48Å; Q67-K70 WeakPolarHBondContact O-CB 3.45Å; Q67-K70 PolarHBondContact O-N 2.82Å; Q67-K70 VanDerWaalsContact O-N 3.11Å; Q67-E71 HydrophobicContact CG-CG 4.35Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.84Å; Q67-E71 WeakPolarHBondContact O-CG 3.47Å; Q67-E71 PolarHBondContact O-N 3.11Å
68H98.2Very high97.2Very high17 Ų1794.7 Ų94.78%0.07944%0.441CS..Hα-helixtrans-62.1-39.2178.9-169.276.3000113.3I8 K9 P11 L64 R65 A66 K70 H72 Y75I8-H68 WeakPolarHBondContact CG2-CE1 3.46Å; K9-H68 PolarHBondContact O-CE1 2.74Å; K9-H68 PolarHBondContact O-NE2 3.4Å; P11-H68 HydrophobicContact CB-CB 4.06Å; P11-H68 HydrophobicContact CG-CB 4.25Å; L64-H68 WeakPolarHBondContact O-CB 3.35Å; L64-H68 PolarHBondContact O-N 3.32Å; R65-H68 PolarHBondContact O-N 2.92Å; A66-H68 VanDerWaalsContact C-N 3.31Å; A66-H68 PolarHBondContact O-N 3.11Å; H68-K70 VanDerWaalsContact C-N 3.32Å; H68-H72 AromaticContact CE1-CD2 3.65Å; H68-H72 AromaticContact ND1-CD2 3.67Å; H68-H72 WeakPolarHBondContact O-CB 3.21Å; H68-H72 PolarHBondContact O-N 2.98Å; H68-Y75 AromaticContact NE2-CD1 3.65Å; H68-Y75 AromaticContact NE2-CD2 3.64Å; H68-Y75 AromaticContact NE2-CE1 3.76Å; H68-Y75 AromaticContact NE2-CE2 3.74Å; H68-Y75 AromaticContact NE2-CG 3.57Å; H68-Y75 AromaticContact NE2-CZ 3.79Å
69M96.8Very high97Very high85 Ų8596.4 Ų96.442%0.41946%0.455SS..Hα-helixtrans-68.8-31.6175-62.7-63.688.200112.3R65 A66 Q67 H72 P73 Y75R65-M69 WeakPolarHBondContact O-CG 3.35Å; R65-M69 PolarHBondContact O-N 2.91Å; A66-M69 PolarHBondContact O-N 2.95Å; Q67-M69 PolarHBondContact O-N 3.48Å; M69-H72 CarbonylContact O-C 3.52Å; M69-P73 WeakPolarHBondContact O-CA 3.22Å; M69-Y75 HydrophobicContact CE-CD1 3.93Å
70K97.4Very high96.7Very high188 Ų188103.7 Ų103.782%0.81748%0.477SS*.Hα-helixtrans-71.5-44.4176.1-175.3-178.2178.6-177.60112A66 Q67 H68A66-K70 PolarHBondContact O-N 3.06Å; Q67-K70 WeakPolarHBondContact O-CB 3.45Å; Q67-K70 PolarHBondContact O-N 2.82Å; Q67-K70 VanDerWaalsContact O-N 3.11Å; H68-K70 VanDerWaalsContact C-N 3.32Å
71E97Very high96.4Very high109 Ų109112.3 Ų112.351%0.50951%0.506SS..Hα-helixtrans-74.7-29.5-179.8-70171-179.200112.5Q67Q67-E71 HydrophobicContact CG-CG 4.35Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.84Å; Q67-E71 WeakPolarHBondContact O-CG 3.47Å; Q67-E71 PolarHBondContact O-N 3.11Å
72H96Very high95.9Very high63 Ų63121 Ų12129%0.29254%0.542SS..  trans-133.173.9-177.7-54.5-58.6000111.2I8 H68 M69 D74 Y75I8-H72 HydrophobicContact CD1-CB 4.15Å; H68-H72 AromaticContact CE1-CD2 3.65Å; H68-H72 AromaticContact ND1-CD2 3.67Å; H68-H72 WeakPolarHBondContact O-CB 3.21Å; H68-H72 PolarHBondContact O-N 2.98Å; M69-H72 CarbonylContact O-C 3.52Å; H72-D74 VanDerWaalsContact C-N 3.27Å; H72-D74 PolarHBondContact O-N 3.31Å; H72-Y75 WeakPolarHBondContact O-CB 3.23Å; H72-Y75 PolarHBondContact O-N 2.95Å
73P95.7Very high95.4Very high103 Ų103120.6 Ų120.667%0.66955%0.553SS**THydrogen-bonded Turntrans-61.6-33.2-178.223.5-33.5000113.1M69 Y75M69-P73 WeakPolarHBondContact O-CA 3.22Å; P73-Y75 VanDerWaalsContact C-N 3.27Å; P73-Y75 PolarHBondContact O-N 3.19Å
74D95.1Very high94.7Very high158 Ų158124.3 Ų124.385%0.84557%0.572SS**THydrogen-bonded Turntrans-85.87.5177.8-61.4-44.4000113.7H72 K76H72-D74 VanDerWaalsContact C-N 3.27Å; H72-D74 PolarHBondContact O-N 3.31Å; D74-K76 PolarHBondContact O-N 3.34Å; D74-K76 VanDerWaalsContact O-N 3.17Å
75Y96.5Very high93.8Very high51 Ų51128.4 Ų128.420%0.259%0.594CS.*  trans-62.4120.8-179.1178.9-99.7000111.5I8 R10 H68 M69 H72 P73I8-Y75 HydrophobicContact CB-CD2 3.92Å; I8-Y75 HydrophobicContact CB-CE2 4.03Å; I8-Y75 HydrophobicContact CD1-CD2 4.47Å; I8-Y75 HydrophobicContact CG2-CD2 3.44Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.44Å; I8-Y75 HydrophobicContact CG2-CE2 3.64Å; I8-Y75 HydrophobicContact CG2-CG 4.44Å; R10-Y75 VanDerWaalsContact CG-OH 3.23Å; R10-Y75 WeakPolarHBondContact CG-OH 3.41Å; H68-Y75 AromaticContact NE2-CD1 3.65Å; H68-Y75 AromaticContact NE2-CD2 3.64Å; H68-Y75 AromaticContact NE2-CE1 3.76Å; H68-Y75 AromaticContact NE2-CE2 3.74Å; H68-Y75 AromaticContact NE2-CG 3.57Å; H68-Y75 AromaticContact NE2-CZ 3.79Å; M69-Y75 HydrophobicContact CE-CD1 3.93Å; H72-Y75 WeakPolarHBondContact O-CB 3.23Å; H72-Y75 PolarHBondContact O-N 2.95Å; P73-Y75 VanDerWaalsContact C-N 3.27Å; P73-Y75 PolarHBondContact O-N 3.19Å
76K95Very high92.4Very high140 Ų140126.7 Ų126.761%0.60960%0.597SS**  trans-127.1124.4174.6-170.1166.4-178.11700111.7D74 R78D74-K76 PolarHBondContact O-N 3.34Å; D74-K76 VanDerWaalsContact O-N 3.17Å; K76-R78 HydrophobicContact CG-CG 4.32Å; K76-R78 PolarHBondContact O-N 3.2Å
77Y96Very high90.8Very high116 Ų116131.3 Ų131.346%0.45561%0.612SS.*  trans-69.7113.5174.4173.3-135.2000111.1R10 P79R10-Y77 PolarHBondContact NH1-OH 3.01Å; R10-Y77 VanDerWaalsContact NH1-OH 3.11Å; R10-Y77 PolarHBondContact NH2-OH 3.03Å; Y77-P79 HydrophobicContact CD1-CG 4.43Å; Y77-P79 HydrophobicContact CE1-CB 4.45Å; Y77-P79 HydrophobicContact CE1-CG 3.73Å; Y77-P79 HydrophobicContact CE2-CB 3.76Å; Y77-P79 HydrophobicContact CE2-CG 3.73Å; Y77-P79 WeakPolarHBondContact OH-CB 3.45Å; Y77-P79 WeakPolarHBondContact OH-CG 3.23Å
78R93.8Very high88.8Confident183 Ų183135.7 Ų135.769%0.69163%0.63SS**  trans-122.783.7179.3-64.8176.2-178-96.59.1110.5K76 R80K76-R78 HydrophobicContact CG-CG 4.32Å; K76-R78 PolarHBondContact O-N 3.2Å; R78-R80 PolarHBondContact O-N 3.4Å
79P94.1Very high86.6Confident78 Ų78143.4 Ų143.451%0.50666%0.663SS.*  trans-59.5129.7177.210.5-14.9000111.5Y77 R81Y77-P79 HydrophobicContact CD1-CG 4.43Å; Y77-P79 HydrophobicContact CE1-CB 4.45Å; Y77-P79 HydrophobicContact CE1-CG 3.73Å; Y77-P79 HydrophobicContact CE2-CB 3.76Å; Y77-P79 HydrophobicContact CE2-CG 3.73Å; Y77-P79 WeakPolarHBondContact OH-CB 3.45Å; Y77-P79 WeakPolarHBondContact OH-CG 3.23Å; P79-R81 PolarHBondContact O-N 3.06Å
80R92.4Very high84.7Confident232 Ų232146.4 Ų146.488%0.87568%0.681SS**  trans-80.3114.7176.1-63.7169.6-174.2-87.9-0.1108.6R78R78-R80 PolarHBondContact O-N 3.4Å
81R92.4Very high82.7Confident244 Ų244148.2 Ų148.292%0.92168%0.682SS**PPolyproline II helixtrans-78.8123.9170.8-56.1-17089.31180.4107.8P79P79-R81 PolarHBondContact O-N 3.06Å
82K88.8Confident80.5Confident194 Ų194153.7 Ų153.784%0.84370%0.7SS**PPolyproline II helixtrans-76138167.4-67.1-175.4177.8-176.60108K84K82-K84 PolarHBondContact O-N 3.17Å
83P87.9Confident78.5Confident116 Ų116156.4 Ų156.475%0.75372%0.721SS**PPolyproline II helixtrans-57.6125.4173.823.7-31.8000108.6N85P83-N85 PolarHBondContact O-N 3.05Å; P83-N85 VanDerWaalsContact O-N 3.15Å
84K82.9Confident76.6Confident193 Ų193159.3 Ų159.384%0.83972%0.723SS**  trans-74.6104.7174.5-168.4172.3-176.5-179.60106.1K82 L86K82-K84 PolarHBondContact O-N 3.17Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-L86 PolarHBondContact O-N 3.08Å
85N79.6Confident75Confident122 Ų122157.2 Ų157.265%0.65272%0.718SS**  trans-61.898.1171.9-91.1-65.5000108.4P83 L87P83-N85 PolarHBondContact O-N 3.05Å; P83-N85 VanDerWaalsContact O-N 3.15Å; N85-L87 PolarHBondContact O-N 3.27Å
86L67.8Low73.3Confident133 Ų133161.9 Ų161.970%0.69675%0.746SS**G310 helixtrans-71.9-15.7179.5-168.857.9000111.8K84 K88K84-L86 VanDerWaalsContact C-N 3.33Å; K84-L86 PolarHBondContact O-N 3.08Å; L86-K88 PolarHBondContact O-N 2.99Å
87L64.4Low71.3Confident160 Ų160161 Ų16184%0.83875%0.754SS**G310 helixtrans-876.3-175.2-55.9-179.6000115.2N85 K89N85-L87 PolarHBondContact O-N 3.27Å; L87-K89 VanDerWaalsContact C-N 3.35Å
88K56.2Low69.2Low165 Ų165165.2 Ų165.272%0.71777%0.771SS**G310 helixtrans-96.213.8171.1-77.6-175.7176-178.90113.2L86 D90L86-K88 PolarHBondContact O-N 2.99Å; K88-D90 VanDerWaalsContact C-N 3.31Å; K88-D90 PolarHBondContact O-N 3.37Å
89K53.2Low67.4Low179 Ų179164 Ų16478%0.77878%0.777SS**THydrogen-bonded Turntrans-89.519.9-179.8-162.5156.3177.3179.30114.3L87L87-K89 VanDerWaalsContact C-N 3.35Å
90D56.5Low64.9Low147 Ų147163.8 Ų163.879%0.78679%0.789SS**THydrogen-bonded Turntrans-117.417.4169.9-78.2-36.7000114.1K88K88-D90 VanDerWaalsContact C-N 3.31Å; K88-D90 PolarHBondContact O-N 3.37Å
91R55.4Low62.8Low227 Ų227159.3 Ų159.386%0.85778%0.783SS**SBendtrans-114.715.4176.6-80.5-96.3-82.7-142-6114.4
92Y49.8Very low60.5Low223 Ų223153.1 Ų153.188%0.87577%0.772SS**  trans-125.161.1166.5-72.7-83.4000109.2F94Y92-F94 VanDerWaalsContact C-N 3.31Å; Y92-F94 PolarHBondContact O-N 3.18Å; Y92-F94 VanDerWaalsContact O-N 3.15Å
93V55.7Low58.4Low121 Ų121151.4 Ų151.473%0.73377%0.772SS**  trans-7398.4156.6179.30000105P95V93-P95 VanDerWaalsContact O-CD 3.23Å; V93-P95 WeakPolarHBondContact O-CD 3.45Å
94F55.8Low56.3Low164 Ų164150.9 Ų150.972%0.71977%0.769SS**  trans-55.7116.5165.1-153.2-90.7000105.9Y92 L96Y92-F94 VanDerWaalsContact C-N 3.31Å; Y92-F94 PolarHBondContact O-N 3.18Å; Y92-F94 VanDerWaalsContact O-N 3.15Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.46Å
95P60.7Low54.7Low113 Ų113149.9 Ų149.973%0.73477%0.772SS**  trans-65.698.6177.7-17.231.1000107.5V93 P97V93-P95 VanDerWaalsContact O-CD 3.23Å; V93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-P97 WeakPolarHBondContact O-CD 3.23Å
96L61.3Low53Low149 Ų149153.8 Ų153.878%0.7878%0.783SS**  trans-68.5122165.7-123.887.6000105.9F94 Y98F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.46Å; L96-Y98 PolarHBondContact O-N 2.81Å
97P52.7Low51.6Low121 Ų121152.1 Ų152.179%0.78679%0.789SS**  trans-7010117128-28000106.9P95 L99P95-P97 WeakPolarHBondContact O-CD 3.23Å; P97-L99 PolarHBondContact O-N 2.97Å
98Y51.8Low50.9Low206 Ų206149.8 Ų149.881%0.80879%0.792SS**  trans-68.9112.3168.3-173.6-101.4000107.1L96 G100L96-Y98 PolarHBondContact O-N 2.81Å; Y98-G100 PolarHBondContact O-N 3.15Å
99L57.1Low50.2Low156 Ų156145.9 Ų145.982%0.81780%0.799SS**  trans-47.5131.9167.8-81.7163.9000109.4P97P97-L99 PolarHBondContact O-N 2.97Å
100G39.7Very low49.6Very low74 Ų74145.5 Ų145.576%0.76380%0.804SS**  trans-58.9141.1-176.800000112.2Y98Y98-G100 PolarHBondContact O-N 3.15Å
101D49.8Very low49.4Very low139 Ų139143.4 Ų143.474%0.74380%0.799SS**  trans-119.9131.1150.8-135.8-41.7000107.7
102T43.5Very low48.9Very low113 Ų113139.6 Ų139.669%0.69380%0.801SS**  trans-75132.9-174.6450000109.4
103D45.3Very low48.5Very low159 Ų159132.2 Ų132.285%0.8579%0.792SS**  trans-163.5139.8133.2-100.8-38.9000113.2
104P43.7Very low48Very low104 Ų104131 Ų13168%0.67580%0.795SS**  trans-111.4105.7-164.134.8-19.2000111.1
105L48.9Very low47.9Very low173 Ų173128.8 Ų128.891%0.90680%0.799SS**  trans-167.899.3170.2-103.9139.8000113.5
106K43Very low46.8Very low203 Ų203131.7 Ų131.788%0.88381%0.809SS**  trans14190.3159.2-94.6-178.8163.2166.40108.1
107A40.2Very low45.9Very low99 Ų99127.7 Ų127.782%0.81880%0.803SS**  4990.750.500000113
108A48.1Very low45.6Very low110 Ų110129.3 Ų129.391%0.90981%0.805SS**  148.4117.412900000112
109G41.6Very low45.6Very low84 Ų84126.8 Ų126.887%0.86681%0.805SS**  trans144.980.5162.600000115.9
110L42.2Very low44.9Very low170 Ų170124.8 Ų124.889%0.8980%0.804SS**  trans-106.6179.2165.1-86.5178000108.8
111P52.4Low45Very low104 Ų104125.2 Ų125.268%0.67580%0.8SS**  cis-140.7-172-20.824.61.1000114.6
112V43.1Very low45.1Very low147 Ų147124.8 Ų124.889%0.89180%0.804SS**  trans102.7124146-173.60000119.1
113G42.1Very low45.2Very low67 Ų67127.3 Ų127.369%0.69181%0.809SS**  trans14077.2162.100000111.8
114A45.7Very low45.5Very low96 Ų96128.7 Ų128.779%0.79381%0.807SS**  92.912383.500000114.4
115S52.2Low45.4Very low117 Ų117129.1 Ų129.182%0.81882%0.819SS**  trans77116.8156.956.10000121.6
116D38.8Very low45.4Very low175 Ų175132.2 Ų132.294%0.93682%0.819SS**  trans-53.4155.7166-64.4-85.4000116
117G42.9Very low45.4Very low64 Ų64126.4 Ų126.466%0.6681%0.809SS**  trans163.192.3157.500000116.4
118L45.9Very low46Very low156 Ų156131.4 Ų131.482%0.81781%0.813SS**  76.3114.2128.6-80.7148000120.4
119L50.5Low46.1Very low153 Ų153133.4 Ų133.480%0.80181%0.807SS**  trans104.1107.3133.6-58.7166.4000120.3
120S44Very low47.1Very low114 Ų114135 Ų13580%0.79780%0.802SS**  69.4110.3128.3-1620000119.9
121A40.9Very low47.8Very low82 Ų82132.9 Ų132.968%0.67880%0.799SS**  trans-63.3165.9171.300000114.6
122P52.8Low47.2Very low130 Ų130132.6 Ų132.684%0.84481%0.805SS**  -124.3130.7126.733.5-25.6000112.9
123E44.3Very low47.6Very low167 Ų167131.1 Ų131.178%0.7880%0.801SS**  trans-68165.6172.1-72.4167.57600113.8
124K51.5Low48.1Very low187 Ų187131.5 Ų131.581%0.81380%0.798SS**  trans104.568.8153-53.9-176-175.1176.50117
125A42.1Very low48Very low114 Ų114131.7 Ų131.794%0.94279%0.791SS**  trans-92.7105.1138.900000108.3
126R48.6Very low47.7Very low237 Ų237135.4 Ų135.489%0.89479%0.789SS**  trans-106.6126.3175-167.2170178.2108-4.3109.9
127A43Very low48Very low82 Ų82132.2 Ų132.268%0.67878%0.78SS**  trans-47.7147.8-179.100000116
128F53Low47.9Very low204 Ų204137.2 Ų137.290%0.89579%0.791SS**  trans-151108.3148.2-93.8-77.3000110.3
129L50.6Low48.1Very low152 Ų152137.4 Ų137.480%0.79679%0.792SS**PPolyproline II helixtrans-84.5144.2158.7-66.5167.9000108.3
130P63.5Low47.4Very low116 Ų116136.7 Ų136.775%0.75379%0.789SS**PPolyproline II helixtrans-92.6140.3160.633-27000110.7
131P56.9Low47.7Very low126 Ų126136.8 Ų136.882%0.81879%0.787SS**PPolyproline II helixtrans-76.1141.4178.930.7-32.7000111.9
132A39.2Very low47.7Very low99 Ų99135.6 Ų135.682%0.81878%0.777SS**PPolyproline II helixtrans-81.6124.5163.800000109.5
133S51.8Low47.1Very low115 Ų115138 Ų13880%0.80478%0.777SS**  trans168.2116.6148.4390000110.2
134A51.3Low47Very low76 Ų76139 Ų13963%0.62878%0.779SS**  trans161.3117.8135.100000109.7Y136A134-Y136 HydrophobicContact CB-CD2 4.43Å; A134-Y136 HydrophobicContact CB-CE2 4.02Å
135P44.9Very low46.3Very low99 Ų99135.3 Ų135.364%0.64378%0.777SS**  trans-73.4-156.3157.920.4-9.8000109.5
136Y44.9Very low46.4Very low195 Ų195134.4 Ų134.477%0.76576%0.764SS**  trans97.897.8173.8-22.8-54.3000117.1A134A134-Y136 HydrophobicContact CB-CD2 4.43Å; A134-Y136 HydrophobicContact CB-CE2 4.02Å
137S45.6Very low46.1Very low109 Ų109128.3 Ų128.376%0.76276%0.758SS**  8294126.6-55.60000119.7
138L40.8Very low45.9Very low169 Ų169128.8 Ų128.889%0.88576%0.761SS**  trans-46.8124.5134.7-84.5164.9000110.2
139L49.6Very low45.9Very low160 Ų160126.1 Ų126.184%0.83876%0.755SS**  trans-142.6111.2147.3-128.982.1000108.1P141L139-P141 WeakPolarHBondContact O-CD 3.48Å
140D36.4Very low45.6Very low138 Ų138127 Ų12774%0.73876%0.755SS**  trans-81.3124.4163.5177.458000107.7
141P50.7Low44.9Very low115 Ų115130.5 Ų130.575%0.74776%0.758SS**  trans-94.592.8161.1-9.428.7000108.6L139L139-P141 WeakPolarHBondContact O-CD 3.48Å
142A40.4Very low44.5Very low58 Ų58132.7 Ų132.748%0.47976%0.76SS.*  trans-45.1144.615000000110.4
143Q40.2Very low44.9Very low181 Ų181131.5 Ų131.585%0.84676%0.757SS**  trans60.286.5141.9-64.8169.5-30.400115.9
144F42.4Very low44.4Very low186 Ų186134.8 Ų134.882%0.81676%0.76SS**  trans-112.592.9145.8-155-104.4000109.1S146F144-S146 VanDerWaalsContact CE1-OG 3.31Å; F144-S146 WeakPolarHBondContact CE1-OG 3.33Å; F144-S146 PolarHBondContact O-N 2.97Å
145S37.1Very low45.1Very low111 Ų111137.1 Ų137.178%0.77677%0.766SS**  trans-63.6110.4154.6-67.40000107.3
146S44Very low45.3Very low95 Ų95136.8 Ų136.866%0.66476%0.764SS**  trans-113.6104165.4-140.60000108F144F144-S146 VanDerWaalsContact CE1-OG 3.31Å; F144-S146 WeakPolarHBondContact CE1-OG 3.33Å; F144-S146 PolarHBondContact O-N 2.97Å
147S41.1Very low45.5Very low109 Ų109135.3 Ų135.376%0.76276%0.764SS**  trans-54.1141.5170-57.30000111.9
148A40.2Very low45.5Very low91 Ų91135.9 Ų135.975%0.75276%0.762SS**  trans38.1122.913900000119.5
149I51.4Low45.8Very low149 Ų149136 Ų13676%0.76476%0.763SS**  trans-163.9121.4134-103.8162.4000112.3
150Q45Very low45.7Very low171 Ų171132.3 Ų132.380%0.79976%0.755SS**  trans63.9117.7139.6-62.5169.4-13.300123.4
151K49.2Very low46.1Very low189 Ų189132.7 Ų132.782%0.82276%0.763SS**  160.5134118.9-94.9178.4169.8178.10107.2
152M47.8Very low46.1Very low171 Ų171130.7 Ų130.784%0.84276%0.763SS**  cis175.9143.34.844.9-155.6-106.500105.4
153G48.2Very low46.3Very low74 Ų74133.2 Ų133.276%0.76378%0.784SS**  trans135.4106.9163.200000117.7
154E42.2Very low46.5Very low184 Ų184132.5 Ų132.586%0.8679%0.785SS**  trans82.196.3148.6-74.2-179.3117.100123
155V64.4Low46.9Very low126 Ų126129 Ų12976%0.76478%0.781SS**  48.5152.7125.9-81.40000123.1
156P50.9Low47.2Very low91 Ų91134.4 Ų134.459%0.59179%0.786SS**  -133.7178.2-58.432.7-11.1000111.7
157H47.9Very low47.2Very low165 Ų165133.9 Ų133.976%0.76479%0.787SS**  trans154118.7137.9-75.3-59.8000113.5
158T46.4Very low47.1Very low120 Ų120134.3 Ų134.374%0.73679%0.79SS**  trans69.910914861.40000122.5
159L46.4Very low47.7Very low173 Ų173136.7 Ų136.791%0.90680%0.796SS**  41.8134.9127.2-57.2168.4000118.7
160A47.1Very low47.5Very low81 Ų81138 Ų13867%0.66980%0.803SS**  cis-172.5158.612.200000110.5
161T46.4Very low47.2Very low147 Ų147133.7 Ų133.790%0.90280%0.804SS**  trans43132.1146.4430000121.1
162G48.8Very low46.8Very low73 Ų73135.3 Ų135.375%0.75381%0.807SS**  cis169.6172.29.200000112.1
163A45.6Very low46.6Very low110 Ų110136 Ų13691%0.90981%0.808SS**  trans72.9118.5158.100000122.5
164L44.3Very low46.1Very low167 Ų167140 Ų14087%0.87481%0.812SS**  trans-88.9-165.9162.2-70173.3000110.5
165P51.1Low46Very low112 Ų112134.4 Ų134.473%0.72780%0.804SS**  cis-132.2-167.7-39.424.9-1.7000112.3
166Y42.1Very low44.8Very low225 Ų225133.1 Ų133.188%0.88281%0.806SS**  trans113.3119.1143.3-160.7-98.6000118
167A45.1Very low44.4Very low84 Ų84139 Ų13969%0.69482%0.823SS**  153.9129.2124.800000112.4
168S38.1Very low44Very low117 Ų117134.2 Ų134.282%0.81882%0.818SS**  trans-105.7139.7169.6-59.50000109.8
169T54.4Low43.4Very low142 Ų142134.2 Ų134.287%0.87182%0.823SS**  trans-147.4127.4156.550.50000111
170L46.6Very low43.3Very low177 Ų177134 Ų13493%0.92782%0.823SS**  trans-59.6149.2170.8-8385.1000112.3
171G39Very low42.9Very low79 Ų79135.1 Ų135.181%0.81483%0.825SS**  trans-162.298.6163.500000111.2
172Y39.8Very low42.7Very low223 Ų223134.1 Ų134.188%0.87582%0.823SS**  trans-76.5122.3167.4-120.2-93.4000108.3
173Q43.2Very low42.5Very low187 Ų187136.4 Ų136.487%0.87482%0.824SS**  trans-147.1110.4156.8-153.8-17583.200109.6
174N39.4Very low42.5Very low156 Ų156135.6 Ų135.683%0.83481%0.812SS**  trans-70.7122.1165.5-91.6-23.7000108.4
175G39.4Very low42.9Very low68 Ų68136.6 Ų136.670%0.70181%0.812SS**  trans-134.6112.1169.900000109
176A38.2Very low43.2Very low98 Ų98139.2 Ų139.281%0.8181%0.814SS**  trans-63.8133.4172.600000110.7
177F42.2Very low44.1Very low214 Ų214134.9 Ų134.994%0.93981%0.811SS**  trans-156.3134.3157.4-129.7-87.3000110.9
178G39.5Very low45.1Very low65 Ų65134.5 Ų134.567%0.6780%0.795SS**  trans90.288.2138.400000117.9L180G178-L180 PolarHBondContact O-N 3.2Å
179S35.5Very low46.7Very low120 Ų120132.7 Ų132.784%0.83978%0.779SS**  trans-40.6120.6149.7172.90000112.6
180L44.7Very low47.1Very low170 Ų170130.9 Ų130.989%0.8976%0.761SS**  trans-140112.1151.9-87.3166.7000108.6G178G178-L180 PolarHBondContact O-N 3.2Å
181S37.6Very low48.2Very low103 Ų103127.1 Ų127.172%0.7275%0.747SS**  trans-52.7133.3174.947.80000113.9
182C41.9Very low48.9Very low127 Ų127124.6 Ų124.686%0.85872%0.717SS**  trans-117.8120153.1-79.10000108.5
183P44Very low50.3Low121 Ų121120.3 Ų120.379%0.78672%0.717SS**  trans-82.1150.417533.8-30.2000110
184S46.2Very low51.6Low93 Ų93117.3 Ų117.365%0.6571%0.711SS**  trans82.575.5162.6-146.10000117.5
185Q54.1Low52.8Low187 Ų187114.2 Ų114.287%0.87470%0.695SS**  trans-105.8111.7143.4-67-169.314.700107.2T187Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 3.34Å
186H57.5Low54.3Low167 Ų167117.3 Ų117.377%0.77370%0.702SS**  trans-6790.2174.6-74.1-85.5000109.8H188H186-H188 PolarHBondContact O-N 3.43Å
187T59.4Low56Low134 Ų134116 Ų11682%0.82270%0.698SS**  trans-64.9109161.141.50000108.1Q185Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 3.34Å
188H66.5Low57.6Low76 Ų76113.9 Ų113.935%0.35269%0.685SS.*  trans-97.6129.2171.156.1-80.3000109.2H186 H190 C202 C204H186-H188 PolarHBondContact O-N 3.43Å; H188-H190 AromaticContact CD2-CD2 3.81Å; H188-H190 AromaticContact CD2-NE2 3.34Å; H188-H190 PolarHBondContact CD2-NE2 2.89Å; H188-H190 VanDerWaalsContact CD2-NE2 3.34Å; H188-C202 WeakPolarHBondContact NE2-CB 3.17Å; H188-C202 PolarHBondContact O-N 3.15Å; H188-C204 VanDerWaalsContact CE1-CB 3.42Å; H188-C204 WeakPolarHBondContact CE1-CB 3.16Å; H188-C204 WeakPolarHBondContact NE2-CB 3.42Å; H188-C204 PolarHBondContact NE2-SG 3.15Å
189T71.2Confident59.4Low79 Ų79115.1 Ų115.149%0.48568%0.68SS.*EExtended strand (participates in β ladder)trans-101.7135.3172.343.70000109.1V199T189-V199 HydrophobicContact CG2-CB 4.26Å
190H63.4Low61.1Low104 Ų104113 Ų11348%0.48166%0.661SS.*EExtended strand (participates in β ladder)trans-105.6144.6171.8-69.9-71.3000110.6H188 S192 V200H188-H190 AromaticContact CD2-CD2 3.81Å; H188-H190 AromaticContact CD2-NE2 3.34Å; H188-H190 PolarHBondContact CD2-NE2 2.89Å; H188-H190 VanDerWaalsContact CD2-NE2 3.34Å; H190-S192 PolarHBondContact O-N 2.99Å; H190-V200 PolarHBondContact N-O 3.44Å; H190-V200 PolarHBondContact O-N 3.18Å; H190-V200 VanDerWaalsContact O-N 3.13Å
191P69Low62.3Low99 Ų99109.8 Ų109.864%0.64365%0.651SS**EExtended strand (participates in β ladder)trans-62.3132.9169.125.8-31.5000109.3
192S55.6Low64Low26 Ų26107.2 Ų107.218%0.18263%0.632CS.*EExtended strand (participates in β ladder)trans-66.1129.1178.7-174.80000110.6H190 T194 N195 Y198H190-S192 PolarHBondContact O-N 2.99Å; S192-T194 PolarHBondContact O-N 2.92Å; S192-T194 PolarHBondContact OG-OG1 3.11Å; S192-N195 PolarHBondContact O-N 2.73Å; S192-Y198 WeakPolarHBondContact CB-O 3.23Å; S192-Y198 PolarHBondContact N-O 2.04Å
193P67.3Low65.1Low133 Ų133108.6 Ų108.686%0.86463%0.631SS**THydrogen-bonded Turntrans-65.7-10-178.825.7-33.6000113.5
194T72.3Confident66.1Low124 Ų124105.8 Ų105.876%0.76161%0.614SS**THydrogen-bonded Turntrans-114.1-4.7-179.3560000113.5S192S192-T194 PolarHBondContact O-N 2.92Å; S192-T194 PolarHBondContact OG-OG1 3.11Å
195N63.8Low66.8Low91 Ų91106.3 Ų106.349%0.48761%0.613SS.*EExtended strand (participates in β ladder)trans-155.5103.8-179-144.9-27.3000111.6S192 G197 Y198S192-N195 PolarHBondContact O-N 2.73Å; N195-G197 PolarHBondContact O-N 3.13Å; N195-Y198 PolarHBondContact O-N 3.14Å
196P70.7Confident66.8Low132 Ų132101.5 Ų101.586%0.85761%0.605SS**EExtended strand (participates in β ladder)trans-61.9-10-175.6-23.733.3000115.9
197G74.8Confident66.6Low71 Ų71104.9 Ų104.973%0.73261%0.611SS**EExtended strand (participates in β ladder)trans-101.41.2179.100000115.5N195N195-G197 PolarHBondContact O-N 3.13Å
198Y74Confident66Low170 Ų170102.8 Ų102.867%0.66760%0.602SS**EExtended strand (participates in β ladder)trans-121.5123.7-175.4-126.4-92.3000111.6S192 N195S192-Y198 WeakPolarHBondContact CB-O 3.23Å; S192-Y198 PolarHBondContact N-O 2.04Å; N195-Y198 PolarHBondContact O-N 3.14Å
199V77.6Confident65.2Low91 Ų91103.2 Ų103.255%0.55262%0.619SS**EExtended strand (participates in β ladder)trans-92.9129.5171.3-72.10000109.4T189T189-V199 HydrophobicContact CG2-CB 4.26Å
200V70.8Confident64.1Low74 Ų74104.9 Ų104.945%0.44863%0.634SS.*EExtended strand (participates in β ladder)trans-106.6128.7177.7-178.90000108.5H190 C202H190-V200 PolarHBondContact N-O 3.44Å; H190-V200 PolarHBondContact O-N 3.18Å; H190-V200 VanDerWaalsContact O-N 3.13Å; V200-C202 PolarHBondContact O-N 3.4Å
201P70.7Confident63.2Low104 Ų104105.2 Ų105.268%0.67564%0.643SS**EExtended strand (participates in β ladder)trans-59.8124.8172.1-17.929.2000109.5
202C73.2Confident62.2Low49 Ų49107.6 Ų107.633%0.33165%0.65SS.*  trans-76130.4172.6-162.80000110.3H188 V200 C204H188-C202 WeakPolarHBondContact NE2-CB 3.17Å; H188-C202 PolarHBondContact O-N 3.15Å; V200-C202 PolarHBondContact O-N 3.4Å; C202-C204 HydrophobicContact CB-CB 3.91Å; C202-C204 WeakPolarHBondContact CB-SG 3.25Å; C202-C204 PolarHBondContact O-N 3.44Å; C202-C204 VanDerWaalsContact O-N 3.15Å; C202-C204 WeakPolarHBondContact SG-CB 3.16Å; C202-C204 PolarHBondContact SG-N 2.86Å; C202-C204 CovalentContact SG-SG 2.04Å; C202-C204 PolarHBondContact SG-SG 2.87Å
203N65.2Low61.9Low156 Ų156113.2 Ų113.283%0.83467%0.673SS**  trans-82.839.3161.6-167.527.8000111.1T205N203-T205 PolarHBondContact O-N 3.18Å; N203-T205 VanDerWaalsContact O-N 3.13Å
204C64.8Low61.5Low62 Ų62111.5 Ų111.542%0.41966%0.662SS.*  trans-78.199.4175.8-640000105.6H188 C202 A206H188-C204 VanDerWaalsContact CE1-CB 3.42Å; H188-C204 WeakPolarHBondContact CE1-CB 3.16Å; H188-C204 WeakPolarHBondContact NE2-CB 3.42Å; H188-C204 PolarHBondContact NE2-SG 3.15Å; C202-C204 HydrophobicContact CB-CB 3.91Å; C202-C204 WeakPolarHBondContact CB-SG 3.25Å; C202-C204 PolarHBondContact O-N 3.44Å; C202-C204 VanDerWaalsContact O-N 3.15Å; C202-C204 WeakPolarHBondContact SG-CB 3.16Å; C202-C204 PolarHBondContact SG-N 2.86Å; C202-C204 CovalentContact SG-SG 2.04Å; C202-C204 PolarHBondContact SG-SG 2.87Å; C204-A206 PolarHBondContact O-N 3.32Å; C204-A206 VanDerWaalsContact O-N 3.11Å
205T61.2Low60.7Low104 Ų104111.5 Ų111.564%0.63866%0.664SS**  trans-48.7122.6164.6-48.10000107N203 W207N203-T205 PolarHBondContact O-N 3.18Å; N203-T205 VanDerWaalsContact O-N 3.13Å; T205-W207 VanDerWaalsContact C-N 3.26Å; T205-W207 PolarHBondContact O-N 3.3Å
206A54Low60.7Low86 Ų86111.2 Ų111.271%0.71167%0.666SS**  trans-58.994.9176.200000108.1C204 S208C204-A206 PolarHBondContact O-N 3.32Å; C204-A206 VanDerWaalsContact O-N 3.11Å; A206-S208 PolarHBondContact O-N 3.32Å
207W52.6Low60.6Low238 Ų238109.2 Ų109.290%0.90266%0.66SS**  trans-70.289.5160.1-69.7-40000105.1T205 A209T205-W207 VanDerWaalsContact C-N 3.26Å; T205-W207 PolarHBondContact O-N 3.3Å; W207-A209 VanDerWaalsContact C-N 3.35Å; W207-A209 PolarHBondContact O-N 3.34Å
208S47.9Very low60.4Low89 Ų89115.6 Ų115.662%0.62266%0.664SS**  trans-55.4103.9167.2-68.10000107.5A206 S210A206-S208 PolarHBondContact O-N 3.32Å; S208-S210 PolarHBondContact O-N 3.13Å
209A48.3Very low60.3Low85 Ų85113.9 Ų113.970%0.70267%0.665SS**THydrogen-bonded Turntrans-664.7173.900000112.7W207W207-A209 VanDerWaalsContact C-N 3.35Å; W207-A209 PolarHBondContact O-N 3.34Å
210S48.1Very low59.8Low115 Ų115117.1 Ų117.180%0.80468%0.678SS**THydrogen-bonded Turntrans-93.46.4-179.4-53.20000114.6S208S208-S210 PolarHBondContact O-N 3.13Å
211T45.1Very low59.7Low111 Ų111121.9 Ų121.968%0.68169%0.693SS**  trans-130.160.8170-42.50000110.9Q213T211-Q213 PolarHBondContact O-N 3.45Å
212L49Very low59.4Low149 Ų149122.9 Ų122.978%0.7870%0.699SS**  trans-75.560164.4-78.2169.3000110.8
213Q48.8Very low58.4Low143 Ų143124 Ų12467%0.66872%0.718SS**  trans-147.199159.2-79.1-62.7-66.800106.5T211T211-Q213 PolarHBondContact O-N 3.45Å
214P58.6Low57.6Low97 Ų97125.9 Ų125.963%0.6373%0.725SS**  trans-56.8137.9153.127-31.2000106.6V216P214-V216 PolarHBondContact O-N 3.05Å
215P56.1Low57.2Low125 Ų125129 Ų12981%0.81274%0.742SS**  trans-59106.2171.824.3-31.8000107.7A217P215-A217 PolarHBondContact O-N 3.01Å
216V63Low56.9Low85 Ų85132.9 Ų132.952%0.51575%0.75SS.*  trans-72.790.4169.2-176.20000105.6P214 Y218P214-V216 PolarHBondContact O-N 3.05Å; V216-Y218 HydrophobicContact CB-CD2 4.36Å; V216-Y218 HydrophobicContact CB-CE2 4.07Å; V216-Y218 HydrophobicContact CG1-CD2 3.64Å; V216-Y218 HydrophobicContact CG1-CE1 4.45Å; V216-Y218 HydrophobicContact CG1-CE2 3.29Å; V216-Y218 HydrophobicContact CG1-CG 4.35Å; V216-Y218 PolarHBondContact O-N 3.2Å
217A67.8Low56.9Low89 Ų89134.7 Ų134.774%0.73675%0.753SS**  trans-71.897.616900000107.9P215 I219P215-A217 PolarHBondContact O-N 3.01Å; A217-I219 PolarHBondContact O-N 3.2Å
218Y70.9Confident56.5Low206 Ų206126.6 Ų126.681%0.80874%0.743SS**  trans-71.6110.2166.1-76.8-86.4000108.5V216 L220V216-Y218 HydrophobicContact CB-CD2 4.36Å; V216-Y218 HydrophobicContact CB-CE2 4.07Å; V216-Y218 HydrophobicContact CG1-CD2 3.64Å; V216-Y218 HydrophobicContact CG1-CE1 4.45Å; V216-Y218 HydrophobicContact CG1-CE2 3.29Å; V216-Y218 HydrophobicContact CG1-CG 4.35Å; V216-Y218 PolarHBondContact O-N 3.2Å; Y218-L220 PolarHBondContact O-N 3.42Å
219I73.2Confident56.8Low134 Ų134130.5 Ų130.569%0.68776%0.755SS**  trans-7994.9165.6-57.3172.3000106.3A217 F221A217-I219 PolarHBondContact O-N 3.2Å; I219-F221 HydrophobicContact CB-CE2 4.4Å; I219-F221 HydrophobicContact CG2-CD2 3.81Å; I219-F221 HydrophobicContact CG2-CE1 4.43Å; I219-F221 HydrophobicContact CG2-CE2 3.44Å; I219-F221 VanDerWaalsContact CG2-CE2 3.44Å; I219-F221 HydrophobicContact CG2-CG 4.44Å; I219-F221 HydrophobicContact CG2-CZ 3.8Å; I219-F221 PolarHBondContact O-N 3.02Å
220L67Low56.9Low158 Ų158133.4 Ų133.483%0.82776%0.759SS**  trans-82.4100.3171.7-169.469.5000108.1Y218 P222Y218-L220 PolarHBondContact O-N 3.42Å; L220-P222 VanDerWaalsContact O-CD 3.32Å; L220-P222 WeakPolarHBondContact O-CD 3.36Å
221F67.5Low57.7Low175 Ų175134.1 Ų134.177%0.76876%0.761SS**  trans-73.2119.6170-76.6-80.8000109.6I219I219-F221 HydrophobicContact CB-CE2 4.4Å; I219-F221 HydrophobicContact CG2-CD2 3.81Å; I219-F221 HydrophobicContact CG2-CE1 4.43Å; I219-F221 HydrophobicContact CG2-CE2 3.44Å; I219-F221 VanDerWaalsContact CG2-CE2 3.44Å; I219-F221 HydrophobicContact CG2-CG 4.44Å; I219-F221 HydrophobicContact CG2-CZ 3.8Å; I219-F221 PolarHBondContact O-N 3.02Å
222P65Low57.8Low125 Ų125138.7 Ų138.781%0.81277%0.767SS**  trans-79128.9172-5.123.4000110L220L220-P222 VanDerWaalsContact O-CD 3.32Å; L220-P222 WeakPolarHBondContact O-CD 3.36Å
223G52.7Low57.8Low71 Ų71137.1 Ų137.173%0.73277%0.768SS**  trans88.586.1155.300000116.9
224M49.1Very low58.1Low196 Ų196134.3 Ų134.397%0.96677%0.765SS**  trans-133.889.8147.1-72.8-175.369.100108.8
225T54.8Low57.6Low129 Ų129133.9 Ų133.979%0.79177%0.769SS**  trans-79.7154.616153.10000109.7
226K54.5Low57.4Low184 Ų184137.4 Ų137.480%0.877%0.774SS**  trans92.6112.8159-81.1-175.8166.8173.10119.4
227T54Low56.9Low125 Ų125137.5 Ų137.577%0.76778%0.784SS**  67.6113.4129.562.20000116.4
228G46Very low56.3Low67 Ų67139.5 Ų139.569%0.69179%0.787SS**  92.711462.900000107.9
229I53Low55.5Low172 Ų172133.8 Ų133.888%0.88278%0.783SS**  trans179126157-90.2145.6000108.3
230D50.1Low54.5Low146 Ų146140 Ų14078%0.78181%0.812SS**  trans-66.8157.5-177.9-52.8-75.1000114.3
231P64.6Low53.9Low130 Ų130139.1 Ų139.184%0.84481%0.811SS**  trans-84115.4161.531.6-26.9000110.7
232Y47.9Very low53.2Low207 Ų207137.2 Ų137.281%0.81281%0.813SS**  trans-48.6130.4171-159.8-101.2000113.3
233S49.5Very low52.6Low116 Ų116137.8 Ų137.881%0.81181%0.813SS**  trans-84.5121.7162.8177.90000109.1
234S53.9Low52.5Low84 Ų84141.8 Ų141.859%0.58782%0.818SS**  trans-158.9113.5153.368.70000112.2
235A50.1Low52.8Low87 Ų87138.4 Ų138.472%0.71981%0.809SS**  trans48.9103.4136.600000118.7
236H51.9Low52.6Low200 Ų200139 Ų13993%0.92681%0.81SS**  trans-131115.6137-97.2-86.9000109.2
237A52.5Low52.5Low86 Ų86135.8 Ų135.871%0.71181%0.811SS**  trans-65.9160.1172.500000111.9
238T54.4Low52.4Low131 Ų131136.6 Ų136.680%0.80481%0.814SS**  trans128.5115.5139.4-54.60000113.4
239A53.2Low52.9Low87 Ų87142.4 Ų142.472%0.71982%0.824SS**  trans41.8125.5144.100000117.9
240M54Low52.9Low263 Ų263139.7 Ų139.7100%1.29682%0.819SS**  cis-152.7042.9-75.9-177.3169.800110.3

Retrieved 240 of 240 residues in 154.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).