A0A096NJJ0_PAPAN Loading...

SEC14 like lipid binding 4

AlphaFold DB , UniProt , Accession A0A096NJJ0, Species PAPAN (Papio anubis, Olive baboon), Gene SEC14L4, Length 406 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
1M83.3Confident93.5Very high146 Ų14671.7 Ų71.772%0.71942%0.419SS*.  0112.70-58.1-50.8-172.400107.7G3 D7M1-G3 PolarHBondContact O-N 2.92Å; M1-D7 CarbonylContact C-O 3.5Å; M1-D7 WeakPolarHBondContact CA-O 3.48Å; M1-D7 WeakPolarHBondContact CA-OD1 3.35Å; M1-D7 WeakPolarHBondContact CB-O 3.4Å
2S90.5Very high93.8Very high51 Ų5168.3 Ų68.336%0.35740%0.397SS..  trans-73.1-11.8-177.360.30000113.3R4 D7S2-R4 VanDerWaalsContact C-N 3.26Å; S2-R4 PolarHBondContact OG-N 3.15Å; S2-D7 WeakPolarHBondContact CA-OD2 3.41Å; S2-D7 WeakPolarHBondContact CB-OD2 3.22Å; S2-D7 PolarHBondContact N-O 3.38Å; S2-D7 PolarHBondContact N-OD2 3.04Å; S2-D7 PolarHBondContact OG-OD2 2.99Å
3G92.4Very high94.1Very high0 Ų071.8 Ų71.80%041%0.407CS..SBendtrans76.115.2-175.800000113.3M1 D7 L8M1-G3 PolarHBondContact O-N 2.92Å; G3-D7 PolarHBondContact N-O 2.96Å; G3-L8 WeakPolarHBondContact O-CD2 3.28Å
4R93.9Very high94.3Very high87 Ų8775.1 Ų75.133%0.32842%0.417SS..SBendtrans-101.2161.7172.1-65.6-170.917391.83.9111.2S2 G6 D7 L8 L43S2-R4 VanDerWaalsContact C-N 3.26Å; S2-R4 PolarHBondContact OG-N 3.15Å; R4-G6 PolarHBondContact O-N 2.94Å; R4-D7 CarbonylContact O-C 3.58Å; R4-D7 PolarHBondContact O-N 2.86Å; R4-L8 WeakPolarHBondContact O-CD2 3.28Å; R4-L8 WeakPolarHBondContact O-CG 3.19Å; R4-L43 HydrophobicContact CG-CD1 4.35Å
5V92.9Very high94.5Very high52 Ų5271.1 Ų71.132%0.31540%0.397SS..THydrogen-bonded Turntrans-53.3131.7176.7-179.20000110.1D7 D35 Y36 L39V5-D7 VanDerWaalsContact C-N 3.32Å; V5-D35 HydrophobicContact CG2-CB 3.88Å; V5-Y36 HydrophobicContact CB-CD1 4.06Å; V5-Y36 HydrophobicContact CB-CE1 3.5Å; V5-Y36 HydrophobicContact CB-CE2 4.32Å; V5-Y36 HydrophobicContact CG1-CE1 4.18Å; V5-Y36 HydrophobicContact CG1-CE2 4.28Å; V5-Y36 HydrophobicContact CG2-CD1 3.53Å; V5-Y36 HydrophobicContact CG2-CD2 4Å; V5-Y36 HydrophobicContact CG2-CE1 3.49Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y36 HydrophobicContact CG2-CE2 3.94Å; V5-Y36 HydrophobicContact CG2-CG 3.8Å; V5-L39 HydrophobicContact CG2-CD1 3.65Å
6G93.1Very high94.7Very high86 Ų8667.3 Ų67.389%0.88738%0.376SS*.THydrogen-bonded Turntrans85.9-9.5-175.800000115.5R4R4-G6 PolarHBondContact O-N 2.94Å
7D95.6Very high94.8Very high64 Ų6467 Ų6734%0.34238%0.384SS..  trans-141.446.5-177.9-174.536.1000111.4M1 S2 G3 R4 V5M1-D7 CarbonylContact C-O 3.5Å; M1-D7 WeakPolarHBondContact CA-O 3.48Å; M1-D7 WeakPolarHBondContact CA-OD1 3.35Å; M1-D7 WeakPolarHBondContact CB-O 3.4Å; S2-D7 WeakPolarHBondContact CA-OD2 3.41Å; S2-D7 WeakPolarHBondContact CB-OD2 3.22Å; S2-D7 PolarHBondContact N-O 3.38Å; S2-D7 PolarHBondContact N-OD2 3.04Å; S2-D7 PolarHBondContact OG-OD2 2.99Å; G3-D7 PolarHBondContact N-O 2.96Å; R4-D7 CarbonylContact O-C 3.58Å; R4-D7 PolarHBondContact O-N 2.86Å; V5-D7 VanDerWaalsContact C-N 3.32Å
8L96Very high94.9Very high23 Ų2370.3 Ų70.312%0.1239%0.39CS..  trans-96.6136.6176.3-59.3-177.3000111G3 R4 Q12 Q13 L16 L39G3-L8 WeakPolarHBondContact O-CD2 3.28Å; R4-L8 WeakPolarHBondContact O-CD2 3.28Å; R4-L8 WeakPolarHBondContact O-CG 3.19Å; L8-Q12 HydrophobicContact CB-CB 4.19Å; L8-Q12 HydrophobicContact CD2-CB 4.22Å; L8-Q13 HydrophobicContact CB-CG 3.59Å; L8-Q13 HydrophobicContact CD1-CG 3.94Å; L8-Q13 HydrophobicContact CG-CG 4.42Å; L8-L16 HydrophobicContact CD1-CD2 3.98Å; L8-L39 HydrophobicContact CD1-CD1 4.33Å; L8-L39 HydrophobicContact CD1-CD2 4.44Å; L8-L39 HydrophobicContact CD2-CD1 4.09Å; L8-L39 HydrophobicContact CD2-CD2 3.9Å
9S97Very high95Very high23 Ų2366.6 Ų66.616%0.16137%0.369CS..  trans-71.1161.5165.278.60000110.9Q11 Q12 Q13S9-Q11 PolarHBondContact O-N 3.49Å; S9-Q12 PolarHBondContact O-N 3.18Å; S9-Q12 WeakPolarHBondContact OG-CG 3.32Å; S9-Q12 PolarHBondContact OG-N 2.63Å; S9-Q13 WeakPolarHBondContact O-CG 3.38Å; S9-Q13 PolarHBondContact O-N 2.58Å
10P97.4Very high95Very high101 Ų10166.8 Ų66.866%0.65636%0.364SS*.Hα-helixtrans-54.4-38.5174.9-27.735.7000113.2Q13 E14P10-Q13 PolarHBondContact O-N 3.49Å; P10-E14 PolarHBondContact O-N 3.3Å
11Q96.6Very high95Very high156 Ų15669.3 Ų69.373%0.72937%0.373SS*.Hα-helixtrans-66-38.6176.3-67.9173.6-7.700112.3S9 A15S9-Q11 PolarHBondContact O-N 3.49Å; Q11-A15 WeakPolarHBondContact O-CB 3.32Å; Q11-A15 PolarHBondContact O-N 2.66Å
12Q97.2Very high95.5Very high31 Ų3165.3 Ų65.315%0.14536%0.355CS..Hα-helixtrans-70.7-36.5177.2-71171.8-37.200111.7L8 S9 A15 L16 F47L8-Q12 HydrophobicContact CB-CB 4.19Å; L8-Q12 HydrophobicContact CD2-CB 4.22Å; S9-Q12 PolarHBondContact O-N 3.18Å; S9-Q12 WeakPolarHBondContact OG-CG 3.32Å; S9-Q12 PolarHBondContact OG-N 2.63Å; Q12-A15 PolarHBondContact O-N 3.49Å; Q12-L16 WeakPolarHBondContact O-CB 3.31Å; Q12-L16 PolarHBondContact O-N 2.51Å; Q12-F47 HydrophobicContact CB-CD1 4.15Å; Q12-F47 HydrophobicContact CB-CE1 3.64Å; Q12-F47 HydrophobicContact CB-CZ 3.99Å; Q12-F47 HydrophobicContact CG-CD1 3.95Å; Q12-F47 HydrophobicContact CG-CD2 4.25Å; Q12-F47 HydrophobicContact CG-CE1 3.64Å; Q12-F47 HydrophobicContact CG-CE2 3.96Å; Q12-F47 HydrophobicContact CG-CG 4.25Å; Q12-F47 HydrophobicContact CG-CZ 3.66Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.29Å
13Q96.9Very high95.6Very high114 Ų11462.9 Ų62.953%0.53334%0.338SS..Hα-helixtrans-63.4-45173.4-70177.3-14.400111.3L8 S9 P10 L16 A17L8-Q13 HydrophobicContact CB-CG 3.59Å; L8-Q13 HydrophobicContact CD1-CG 3.94Å; L8-Q13 HydrophobicContact CG-CG 4.42Å; S9-Q13 WeakPolarHBondContact O-CG 3.38Å; S9-Q13 PolarHBondContact O-N 2.58Å; P10-Q13 PolarHBondContact O-N 3.49Å; Q13-L16 PolarHBondContact O-N 3.15Å; Q13-A17 PolarHBondContact O-N 3.19Å
14E97.1Very high95.4Very high118 Ų11869 Ų6955%0.55137%0.366SS*.Hα-helixtrans-62.4-45175.3-172-173.8165.800111.4P10 L16 A17 R18P10-E14 PolarHBondContact O-N 3.3Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 2.89Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-R18 WeakPolarHBondContact O-CG 3.28Å; E14-R18 PolarHBondContact O-N 2.99Å
15A97.3Very high95.2Very high14 Ų1469.9 Ų69.912%0.11638%0.378CS..Hα-helixtrans-59.8-43.4176.400000111.8Q11 Q12 R18 F19 F47 L49Q11-A15 WeakPolarHBondContact O-CB 3.32Å; Q11-A15 PolarHBondContact O-N 2.66Å; Q12-A15 PolarHBondContact O-N 3.49Å; A15-R18 PolarHBondContact O-N 2.95Å; A15-F19 WeakPolarHBondContact O-CB 3.21Å; A15-F19 PolarHBondContact O-N 3.46Å; A15-F47 HydrophobicContact CB-CD1 4.01Å; A15-L49 HydrophobicContact CB-CD2 4.15Å; A15-L49 WeakPolarHBondContact O-CD2 3.49Å
16L97.3Very high94.9Very high10 Ų1068.5 Ų68.55%0.05237%0.368CS..Hα-helixtrans-61.8-43.7175.8177.161.1000112.1L8 Q12 Q13 E14 F19 R20 D35 L38 L39 L42L8-L16 HydrophobicContact CD1-CD2 3.98Å; Q12-L16 WeakPolarHBondContact O-CB 3.31Å; Q12-L16 PolarHBondContact O-N 2.51Å; Q13-L16 PolarHBondContact O-N 3.15Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 2.89Å; L16-F19 PolarHBondContact O-N 3.4Å; L16-R20 WeakPolarHBondContact O-CB 3.29Å; L16-R20 PolarHBondContact O-N 2.91Å; L16-D35 HydrophobicContact CD2-CB 4.06Å; L16-L38 HydrophobicContact CD1-CB 3.73Å; L16-L38 HydrophobicContact CD1-CD1 4.15Å; L16-L39 HydrophobicContact CB-CD2 4.45Å; L16-L39 HydrophobicContact CD1-CD2 4.18Å; L16-L39 HydrophobicContact CD1-CG 4.17Å; L16-L39 HydrophobicContact CD2-CD1 4.35Å; L16-L39 HydrophobicContact CD2-CD2 4.12Å; L16-L39 HydrophobicContact CD2-CG 4.16Å; L16-L39 HydrophobicContact CG-CD2 4.49Å; L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.92Å
17A96.7Very high94.5Very high63 Ų6366.3 Ų66.352%0.52134%0.336SS..Hα-helixtrans-61.8-47.8177.700000111.7Q13 E14 F19 R20 E21Q13-A17 PolarHBondContact O-N 3.19Å; E14-A17 PolarHBondContact O-N 2.93Å; A17-F19 PolarHBondContact O-N 3.29Å; A17-R20 PolarHBondContact O-N 3.29Å; A17-E21 PolarHBondContact O-N 3.47Å
18R96.9Very high94Very high127 Ų12768.6 Ų68.648%0.47935%0.354SS..Hα-helixtrans-64.3-39.6176.8-69.6-179.365.4-177.4-1.2112.4E14 A15 R20 E21 N22 L49E14-R18 WeakPolarHBondContact O-CG 3.28Å; E14-R18 PolarHBondContact O-N 2.99Å; A15-R18 PolarHBondContact O-N 2.95Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R18-R20 PolarHBondContact O-N 3.33Å; R18-E21 WeakPolarHBondContact O-CB 3.25Å; R18-E21 PolarHBondContact O-N 3.01Å; R18-N22 PolarHBondContact O-N 3.04Å; R18-N22 PolarHBondContact O-OD1 3.34Å; R18-L49 HydrophobicContact CB-CD1 4.1Å
19F96.6Very high93.5Very high0 Ų073.6 Ų73.60%038%0.379CS..Hα-helixtrans-61.8-43.8176.5-172.7-124.2000111.5A15 L16 A17 E21 N22 L23 L38 W41 L42 L49 E53 L56A15-F19 WeakPolarHBondContact O-CB 3.21Å; A15-F19 PolarHBondContact O-N 3.46Å; L16-F19 PolarHBondContact O-N 3.4Å; A17-F19 PolarHBondContact O-N 3.29Å; F19-E21 VanDerWaalsContact C-N 3.31Å; F19-E21 PolarHBondContact O-N 3.19Å; F19-N22 PolarHBondContact O-N 2.86Å; F19-L23 HydrophobicContact CD1-CD1 3.84Å; F19-L23 HydrophobicContact CD2-CD1 4.04Å; F19-L23 HydrophobicContact CE1-CD1 3.55Å; F19-L23 HydrophobicContact CE2-CD1 3.74Å; F19-L23 HydrophobicContact CE2-CG 4.39Å; F19-L23 HydrophobicContact CG-CD1 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.5Å; F19-L23 WeakPolarHBondContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CD1 3.39Å; F19-L23 VanDerWaalsContact O-CG 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.33Å; F19-L23 PolarHBondContact O-N 3.48Å; F19-L38 HydrophobicContact CD1-CB 4.13Å; F19-L38 HydrophobicContact CD1-CD2 4.27Å; F19-L38 HydrophobicContact CE1-CB 4.2Å; F19-L38 HydrophobicContact CE1-CD2 4Å; F19-W41 HydrophobicContact CE1-CB 4.21Å; F19-W41 HydrophobicContact CZ-CB 4.06Å; F19-L42 HydrophobicContact CB-CD1 4.15Å; F19-L42 HydrophobicContact CB-CD2 4.1Å; F19-L42 HydrophobicContact CB-CG 4.48Å; F19-L42 HydrophobicContact CD1-CD1 3.84Å; F19-L42 HydrophobicContact CD1-CD2 4.11Å; F19-L42 HydrophobicContact CD1-CG 3.81Å; F19-L42 HydrophobicContact CD2-CD2 4.16Å; F19-L42 HydrophobicContact CE1-CG 4.14Å; F19-L42 HydrophobicContact CG-CD1 4.18Å; F19-L42 HydrophobicContact CG-CD2 3.88Å; F19-L42 HydrophobicContact CG-CG 4.1Å; F19-L49 HydrophobicContact CB-CD2 3.89Å; F19-L49 HydrophobicContact CD2-CD2 4.44Å; F19-E53 HydrophobicContact CE2-CB 3.98Å; F19-L56 HydrophobicContact CE1-CD2 4.48Å; F19-L56 HydrophobicContact CZ-CD2 4.18Å
20R95.3Very high92.8Very high70 Ų7073.3 Ų73.326%0.26438%0.375SS..Hα-helixtrans-61.9-39174.6-175.4179-71.6-74.32.5111.9L16 A17 R18 L23 Q24 L27 A33 D35 L38L16-R20 WeakPolarHBondContact O-CB 3.29Å; L16-R20 PolarHBondContact O-N 2.91Å; A17-R20 PolarHBondContact O-N 3.29Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R18-R20 PolarHBondContact O-N 3.33Å; R20-L23 PolarHBondContact O-N 3.39Å; R20-Q24 PolarHBondContact O-N 2.98Å; R20-L27 HydrophobicContact CG-CD1 4.02Å; R20-A33 PolarHBondContact NH1-O 3.15Å; R20-A33 PolarHBondContact NH2-O 2.73Å; R20-D35 IonicContact CZ-OD1 2.81Å; R20-D35 IonicContact NE-OD1 3.75Å; R20-D35 IonicContact NH2-OD1 3.56Å; R20-D35 PolarHBondContact NH2-OD1 2.94Å; R20-L38 HydrophobicContact CB-CD1 4.01Å; R20-L38 HydrophobicContact CG-CD1 4.21Å; R20-L38 VanDerWaalsContact CZ-CD1 3.42Å
21E94.7Very high91.8Very high119 Ų11971.8 Ų71.856%0.55637%0.365SS*.Hα-helixtrans-63.3-48.6175.7-172.8178.5-170.700112.2A17 R18 F19 L23 Q24A17-E21 PolarHBondContact O-N 3.47Å; R18-E21 WeakPolarHBondContact O-CB 3.25Å; R18-E21 PolarHBondContact O-N 3.01Å; F19-E21 VanDerWaalsContact C-N 3.31Å; F19-E21 PolarHBondContact O-N 3.19Å; E21-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact O-N 3.11Å; E21-Q24 WeakPolarHBondContact O-CB 3.4Å; E21-Q24 VanDerWaalsContact O-CG 3.26Å; E21-Q24 WeakPolarHBondContact O-CG 3.35Å; E21-Q24 PolarHBondContact O-N 3Å; E21-Q24 VanDerWaalsContact O-N 3.16Å
22N93.7Very high90.9Very high63 Ų6366.9 Ų66.934%0.33734%0.344SS..Hα-helixtrans-58.2-28.1177.4-72.711.3000113.3R18 F19 E53 R57R18-N22 PolarHBondContact O-N 3.04Å; R18-N22 PolarHBondContact O-OD1 3.34Å; F19-N22 PolarHBondContact O-N 2.86Å; N22-E53 WeakPolarHBondContact CB-OE2 3.36Å; N22-E53 PolarHBondContact ND2-OE2 2.9Å; N22-R57 PolarHBondContact O-NH2 3.35Å
23L92.1Very high90.2Very high0 Ų066.9 Ų66.90%035%0.349CS..THydrogen-bonded Turntrans-987.3-175.6-66.3169.9000113.9F19 R20 E21 N25 L26 L27 L38 E53 L56F19-L23 HydrophobicContact CD1-CD1 3.84Å; F19-L23 HydrophobicContact CD2-CD1 4.04Å; F19-L23 HydrophobicContact CE1-CD1 3.55Å; F19-L23 HydrophobicContact CE2-CD1 3.74Å; F19-L23 HydrophobicContact CE2-CG 4.39Å; F19-L23 HydrophobicContact CG-CD1 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.5Å; F19-L23 WeakPolarHBondContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CD1 3.39Å; F19-L23 VanDerWaalsContact O-CG 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.33Å; F19-L23 PolarHBondContact O-N 3.48Å; R20-L23 PolarHBondContact O-N 3.39Å; E21-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact O-N 3.11Å; L23-N25 PolarHBondContact O-N 3.27Å; L23-L26 HydrophobicContact CD2-CD1 4.01Å; L23-L26 WeakPolarHBondContact O-CA 3.33Å; L23-L26 PolarHBondContact O-N 3.15Å; L23-L27 HydrophobicContact CB-CD2 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.39Å; L23-L38 HydrophobicContact CD1-CD2 3.97Å; L23-E53 HydrophobicContact CD2-CG 4.01Å; L23-L56 HydrophobicContact CD1-CD2 3.4Å; L23-L56 VanDerWaalsContact CD1-CD2 3.4Å; L23-L56 HydrophobicContact CD2-CD2 3.92Å; L23-L56 HydrophobicContact CG-CD2 4.29Å
24Q88.9Confident90Very high128 Ų12863.3 Ų63.360%0.59833%0.334SS*.THydrogen-bonded Turntrans-48.5-37.6-176-83.8178.815.600113.5R20 E21 L26R20-Q24 PolarHBondContact O-N 2.98Å; E21-Q24 WeakPolarHBondContact O-CB 3.4Å; E21-Q24 VanDerWaalsContact O-CG 3.26Å; E21-Q24 WeakPolarHBondContact O-CG 3.35Å; E21-Q24 PolarHBondContact O-N 3Å; E21-Q24 VanDerWaalsContact O-N 3.16Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 2.97Å
25N89.3Confident89.9Confident106 Ų10660.8 Ų60.857%0.56732%0.324SS*.THydrogen-bonded Turntrans-71.6-21178.566-33.1000114.5L23L23-N25 PolarHBondContact O-N 3.27Å
26L86.8Confident89.8Confident22 Ų2263.5 Ų63.512%0.11533%0.332CS..THydrogen-bonded Turntrans-99.9-22.4179.9-67.8-176.2000113.7L23 Q24 P28 M29 L30 R57 M60L23-L26 HydrophobicContact CD2-CD1 4.01Å; L23-L26 WeakPolarHBondContact O-CA 3.33Å; L23-L26 PolarHBondContact O-N 3.15Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 2.97Å; L26-P28 VanDerWaalsContact C-N 3.3Å; L26-M29 WeakPolarHBondContact O-CB 3.48Å; L26-M29 PolarHBondContact O-N 3.3Å; L26-L30 PolarHBondContact O-N 3.06Å; L26-R57 HydrophobicContact CD1-CG 3.78Å; L26-R57 VanDerWaalsContact CD1-NH1 3.28Å; L26-M60 HydrophobicContact CD1-CG 4.26Å
27L84.3Confident89.6Confident40 Ų4063.7 Ų63.721%0.20933%0.332CS..G310 helixtrans-49.5-42.4-177.4-62-179.7000113.9R20 L23 M29 L30 A33R20-L27 HydrophobicContact CG-CD1 4.02Å; L23-L27 HydrophobicContact CB-CD2 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.39Å; L27-M29 PolarHBondContact O-N 2.94Å; L27-L30 HydrophobicContact CD2-CD1 3.89Å; L27-L30 PolarHBondContact O-N 2.72Å; L27-A33 HydrophobicContact CD2-CB 4.23Å
28P85.9Confident89.6Confident113 Ų11360.7 Ų60.773%0.73431%0.307SS*.G310 helixtrans-67.4-17.5179.7-20.534.1000114.4L26L26-P28 VanDerWaalsContact C-N 3.3Å
29M84.9Confident89.6Confident128 Ų12854.8 Ų54.863%0.63129%0.286SS*.G310 helixtrans-97.9-9.3-179.2-59.3-178.665.700112.6L26 L27 M60L26-M29 WeakPolarHBondContact O-CB 3.48Å; L26-M29 PolarHBondContact O-N 3.3Å; L27-M29 PolarHBondContact O-N 2.94Å; M29-M60 HydrophobicContact CB-CE 3.88Å; M29-M60 WeakPolarHBondContact O-CE 3.46Å
30L82.6Confident89.6Confident16 Ų1655.7 Ų55.78%0.08429%0.289CS..SBendtrans-72141178.9-64.8-179.8000110L26 L27 N32 A33 F37 L38 L56 M60L26-L30 PolarHBondContact O-N 3.06Å; L27-L30 HydrophobicContact CD2-CD1 3.89Å; L27-L30 PolarHBondContact O-N 2.72Å; L30-N32 PolarHBondContact O-N 3.09Å; L30-A33 HydrophobicContact CB-CB 4.24Å; L30-A33 HydrophobicContact CD1-CB 4Å; L30-F37 HydrophobicContact CD1-CD1 4.21Å; L30-F37 HydrophobicContact CD1-CE1 3.91Å; L30-F37 HydrophobicContact CD2-CE1 3.81Å; L30-F37 HydrophobicContact CD2-CZ 4.13Å; L30-F37 HydrophobicContact CG-CE1 4.34Å; L30-L38 HydrophobicContact CD1-CD2 4.22Å; L30-L56 HydrophobicContact CD2-CD1 4.07Å; L30-L56 HydrophobicContact CD2-CD2 4.47Å; L30-M60 HydrophobicContact CD2-CE 4.09Å; L30-M60 HydrophobicContact CD2-CG 4.37Å; L30-M60 HydrophobicContact CD2-SD 3.44Å; L30-M60 WeakPolarHBondContact CD2-SD 3.42Å
31P76.3Confident89.7Confident69 Ų6952.4 Ų52.445%0.44828%0.276SS..SBendtrans-61.4-36.6176.225.3-34.2000111.7F37P31-F37 HydrophobicContact CG-CE2 4.31Å
32N79.1Confident89.8Confident54 Ų5446.7 Ų46.729%0.28925%0.25SC..  trans-149.5123.9170.4-177.8-2.5000108.2L30 D34 F37L30-N32 PolarHBondContact O-N 3.09Å; N32-D34 PolarHBondContact ND2-OD2 3.18Å; N32-D34 WeakPolarHBondContact OD1-CB 3.35Å; N32-D34 VanDerWaalsContact OD1-CG 3.29Å; N32-D34 PolarHBondContact OD1-N 3.41Å; N32-D34 VanDerWaalsContact OD1-N 3.07Å; N32-F37 VanDerWaalsContact O-CB 3.29Å; N32-F37 WeakPolarHBondContact O-CB 3.42Å; N32-F37 WeakPolarHBondContact O-CD1 3.24Å; N32-F37 WeakPolarHBondContact O-CG 3.46Å
33A81.8Confident89.9Confident30 Ų3045.4 Ų45.425%0.24824%0.243CC..  trans-101.322.4-177.200000113.1R20 L27 L30R20-A33 PolarHBondContact NH1-O 3.15Å; R20-A33 PolarHBondContact NH2-O 2.73Å; L27-A33 HydrophobicContact CD2-CB 4.23Å; L30-A33 HydrophobicContact CB-CB 4.24Å; L30-A33 HydrophobicContact CD1-CB 4Å
34D91.7Very high90.1Very high39 Ų3946.5 Ų46.521%0.20925%0.252CS..SBendtrans-66.8164.5176.570.410.8000112.9N32 Y36 F37 L38 K145N32-D34 PolarHBondContact ND2-OD2 3.18Å; N32-D34 WeakPolarHBondContact OD1-CB 3.35Å; N32-D34 VanDerWaalsContact OD1-CG 3.29Å; N32-D34 PolarHBondContact OD1-N 3.41Å; N32-D34 VanDerWaalsContact OD1-N 3.07Å; D34-Y36 PolarHBondContact O-N 3.03Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.26Å; D34-Y36 PolarHBondContact OD1-N 2.89Å; D34-F37 PolarHBondContact O-N 2.79Å; D34-F37 VanDerWaalsContact OD1-CB 3.3Å; D34-F37 WeakPolarHBondContact OD1-CB 3.3Å; D34-F37 PolarHBondContact OD1-N 3.06Å; D34-L38 PolarHBondContact O-N 3.48Å; D34-K145 IonicContact OD1-NZ 3.91Å; D34-K145 IonicContact OD2-NZ 2.74Å; D34-K145 PolarHBondContact OD2-NZ 3.39Å
35D95.1Very high90.5Very high65 Ų6544.5 Ų44.535%0.34824%0.239SC..Hα-helixtrans-60.5-35.2-179.9-73.8-12.2000111.7V5 L16 R20 L38 L39V5-D35 HydrophobicContact CG2-CB 3.88Å; L16-D35 HydrophobicContact CD2-CB 4.06Å; R20-D35 IonicContact CZ-OD1 2.81Å; R20-D35 IonicContact NE-OD1 3.75Å; R20-D35 IonicContact NH2-OD1 3.56Å; R20-D35 PolarHBondContact NH2-OD1 2.94Å; D35-L38 PolarHBondContact O-N 2.94Å; D35-L39 VanDerWaalsContact O-CB 3.26Å; D35-L39 WeakPolarHBondContact O-CB 3.44Å; D35-L39 WeakPolarHBondContact O-CD1 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.27Å; D35-L39 PolarHBondContact O-N 2.89Å
36Y95.1Very high90.8Very high72 Ų7246.6 Ų46.628%0.28225%0.25SS..Hα-helixtrans-58.6-50.3177.1-62.4-85.1000111.4V5 D34 L38 L39 R40 K145V5-Y36 HydrophobicContact CB-CD1 4.06Å; V5-Y36 HydrophobicContact CB-CE1 3.5Å; V5-Y36 HydrophobicContact CB-CE2 4.32Å; V5-Y36 HydrophobicContact CG1-CE1 4.18Å; V5-Y36 HydrophobicContact CG1-CE2 4.28Å; V5-Y36 HydrophobicContact CG2-CD1 3.53Å; V5-Y36 HydrophobicContact CG2-CD2 4Å; V5-Y36 HydrophobicContact CG2-CE1 3.49Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y36 HydrophobicContact CG2-CE2 3.94Å; V5-Y36 HydrophobicContact CG2-CG 3.8Å; D34-Y36 PolarHBondContact O-N 3.03Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.26Å; D34-Y36 PolarHBondContact OD1-N 2.89Å; Y36-L38 PolarHBondContact O-N 2.92Å; Y36-L39 PolarHBondContact O-N 2.96Å; Y36-R40 WeakPolarHBondContact O-CG 3.36Å; Y36-R40 PolarHBondContact O-N 3.02Å; Y36-K145 HydrophobicContact CD1-CB 4.11Å; Y36-K145 HydrophobicContact CD1-CD 3.97Å; Y36-K145 HydrophobicContact CD1-CG 3.53Å; Y36-K145 HydrophobicContact CD2-CD 3.79Å; Y36-K145 HydrophobicContact CD2-CG 4.25Å; Y36-K145 HydrophobicContact CE1-CB 3.6Å; Y36-K145 HydrophobicContact CE1-CD 4.2Å; Y36-K145 HydrophobicContact CE1-CG 3.58Å; Y36-K145 HydrophobicContact CE2-CB 4.38Å; Y36-K145 HydrophobicContact CE2-CD 4.07Å; Y36-K145 HydrophobicContact CE2-CG 4.32Å; Y36-K145 HydrophobicContact CG-CD 3.74Å; Y36-K145 HydrophobicContact CG-CG 3.86Å
37F95.1Very high91.3Very high13 Ų1347.4 Ų47.46%0.05725%0.253CS..Hα-helixtrans-58.2-49177.4178.2-89.9000111.5L30 P31 N32 D34 R40 W41 L56L30-F37 HydrophobicContact CD1-CD1 4.21Å; L30-F37 HydrophobicContact CD1-CE1 3.91Å; L30-F37 HydrophobicContact CD2-CE1 3.81Å; L30-F37 HydrophobicContact CD2-CZ 4.13Å; L30-F37 HydrophobicContact CG-CE1 4.34Å; P31-F37 HydrophobicContact CG-CE2 4.31Å; N32-F37 VanDerWaalsContact O-CB 3.29Å; N32-F37 WeakPolarHBondContact O-CB 3.42Å; N32-F37 WeakPolarHBondContact O-CD1 3.24Å; N32-F37 WeakPolarHBondContact O-CG 3.46Å; D34-F37 PolarHBondContact O-N 2.79Å; D34-F37 VanDerWaalsContact OD1-CB 3.3Å; D34-F37 WeakPolarHBondContact OD1-CB 3.3Å; D34-F37 PolarHBondContact OD1-N 3.06Å; F37-R40 PolarHBondContact O-N 2.9Å; F37-W41 AromaticContact CD1-NE1 3.65Å; F37-W41 HydrophobicContact CE1-CZ2 4.48Å; F37-W41 AromaticContact CE1-NE1 3.2Å; F37-W41 HydrophobicContact CE2-CZ2 4.16Å; F37-W41 AromaticContact CE2-NE1 3.86Å; F37-W41 AromaticContact CZ-CE2 3.82Å; F37-W41 AromaticContact CZ-CZ2 3.77Å; F37-W41 HydrophobicContact CZ-CZ2 3.77Å; F37-W41 AromaticContact CZ-NE1 3.31Å; F37-W41 VanDerWaalsContact CZ-NE1 3.31Å; F37-W41 PolarHBondContact O-NE1 2.95Å; F37-W41 VanDerWaalsContact O-NE1 3.17Å; F37-L56 HydrophobicContact CE1-CD1 3.77Å; F37-L56 HydrophobicContact CE1-CD2 4.4Å; F37-L56 HydrophobicContact CZ-CD1 3.84Å
38L95.8Very high91.9Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-64.8-40.3-178.8-66.5-175.7000112.6L16 F19 R20 L23 L30 D34 D35 Y36 R40 W41 L42 L56L16-L38 HydrophobicContact CD1-CB 3.73Å; L16-L38 HydrophobicContact CD1-CD1 4.15Å; F19-L38 HydrophobicContact CD1-CB 4.13Å; F19-L38 HydrophobicContact CD1-CD2 4.27Å; F19-L38 HydrophobicContact CE1-CB 4.2Å; F19-L38 HydrophobicContact CE1-CD2 4Å; R20-L38 HydrophobicContact CB-CD1 4.01Å; R20-L38 HydrophobicContact CG-CD1 4.21Å; R20-L38 VanDerWaalsContact CZ-CD1 3.42Å; L23-L38 HydrophobicContact CD1-CD2 3.97Å; L30-L38 HydrophobicContact CD1-CD2 4.22Å; D34-L38 PolarHBondContact O-N 3.48Å; D35-L38 PolarHBondContact O-N 2.94Å; Y36-L38 PolarHBondContact O-N 2.92Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.46Å; L38-W41 PolarHBondContact O-N 2.82Å; L38-L42 PolarHBondContact O-N 2.83Å; L38-L56 HydrophobicContact CD2-CD2 4.38Å
39L97.1Very high92.5Very high4 Ų444.2 Ų44.22%0.02123%0.23CC..Hα-helixtrans-64.5-29.6-179.3-75.9169.3000112.8V5 L8 L16 D35 Y36 W41 L42 L43 F47V5-L39 HydrophobicContact CG2-CD1 3.65Å; L8-L39 HydrophobicContact CD1-CD1 4.33Å; L8-L39 HydrophobicContact CD1-CD2 4.44Å; L8-L39 HydrophobicContact CD2-CD1 4.09Å; L8-L39 HydrophobicContact CD2-CD2 3.9Å; L16-L39 HydrophobicContact CB-CD2 4.45Å; L16-L39 HydrophobicContact CD1-CD2 4.18Å; L16-L39 HydrophobicContact CD1-CG 4.17Å; L16-L39 HydrophobicContact CD2-CD1 4.35Å; L16-L39 HydrophobicContact CD2-CD2 4.12Å; L16-L39 HydrophobicContact CD2-CG 4.16Å; L16-L39 HydrophobicContact CG-CD2 4.49Å; D35-L39 VanDerWaalsContact O-CB 3.26Å; D35-L39 WeakPolarHBondContact O-CB 3.44Å; D35-L39 WeakPolarHBondContact O-CD1 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.27Å; D35-L39 PolarHBondContact O-N 2.89Å; Y36-L39 PolarHBondContact O-N 2.96Å; L39-W41 VanDerWaalsContact C-N 3.28Å; L39-W41 PolarHBondContact O-N 3.03Å; L39-L42 HydrophobicContact CD2-CD1 4.15Å; L39-L42 PolarHBondContact O-N 3.43Å; L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.23Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.11Å; L39-L43 PolarHBondContact O-N 3.48Å; L39-F47 HydrophobicContact CD2-CE1 3.9Å; L39-F47 HydrophobicContact CD2-CZ 4.08Å
40R95.9Very high93.1Very high19 Ų1943.4 Ų43.47%0.07222%0.224CC..Hα-helixtrans-58.6-40.2174.8-67.4-169.7-61120.4-5.6112.4Y36 F37 L38 A44 P183 E184Y36-R40 WeakPolarHBondContact O-CG 3.36Å; Y36-R40 PolarHBondContact O-N 3.02Å; F37-R40 PolarHBondContact O-N 2.9Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.46Å; R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.29Å; R40-A44 PolarHBondContact O-N 3.4Å; R40-A44 VanDerWaalsContact O-N 3.07Å; R40-P183 HydrophobicContact CB-CG 4.47Å; R40-P183 WeakPolarHBondContact CD-O 3.32Å; R40-P183 PolarHBondContact NH1-O 3.12Å; R40-E184 HydrophobicContact CB-CB 4.07Å; R40-E184 HydrophobicContact CG-CB 3.93Å
41W97.1Very high93.9Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-71.6-41.9178.7-51.895.8000111.8F19 F37 L38 L39 R45 S52 M55 L56 H59 N181 P183F19-W41 HydrophobicContact CE1-CB 4.21Å; F19-W41 HydrophobicContact CZ-CB 4.06Å; F37-W41 AromaticContact CD1-NE1 3.65Å; F37-W41 HydrophobicContact CE1-CZ2 4.48Å; F37-W41 AromaticContact CE1-NE1 3.2Å; F37-W41 HydrophobicContact CE2-CZ2 4.16Å; F37-W41 AromaticContact CE2-NE1 3.86Å; F37-W41 AromaticContact CZ-CE2 3.82Å; F37-W41 AromaticContact CZ-CZ2 3.77Å; F37-W41 HydrophobicContact CZ-CZ2 3.77Å; F37-W41 AromaticContact CZ-NE1 3.31Å; F37-W41 VanDerWaalsContact CZ-NE1 3.31Å; F37-W41 PolarHBondContact O-NE1 2.95Å; F37-W41 VanDerWaalsContact O-NE1 3.17Å; L38-W41 PolarHBondContact O-N 2.82Å; L39-W41 VanDerWaalsContact C-N 3.28Å; L39-W41 PolarHBondContact O-N 3.03Å; W41-R45 PolarHBondContact O-N 3.43Å; W41-S52 PolarHBondContact O-OG 2.92Å; W41-M55 HydrophobicContact CE3-CB 4.37Å; W41-M55 HydrophobicContact CE3-CE 4.16Å; W41-M55 HydrophobicContact CE3-CG 3.75Å; W41-M55 HydrophobicContact CE3-SD 3.85Å; W41-M55 HydrophobicContact CZ3-CE 4Å; W41-M55 HydrophobicContact CZ3-CG 3.88Å; W41-M55 HydrophobicContact CZ3-SD 4.22Å; W41-L56 HydrophobicContact CD2-CB 4.07Å; W41-L56 HydrophobicContact CD2-CD1 4.02Å; W41-L56 HydrophobicContact CE3-CB 4.23Å; W41-L56 HydrophobicContact CG-CB 4.26Å; W41-L56 HydrophobicContact CG-CD1 4.48Å; W41-L56 HydrophobicContact CH2-CD1 4.36Å; W41-L56 HydrophobicContact CZ2-CD1 3.76Å; W41-H59 HydrophobicContact CH2-CB 3.43Å; W41-H59 VanDerWaalsContact CH2-CB 3.43Å; W41-H59 AromaticContact CH2-CD2 3.47Å; W41-H59 VanDerWaalsContact CH2-CD2 3.47Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.46Å; W41-H59 AromaticContact CH2-CG 3.29Å; W41-H59 AromaticContact CH2-ND1 3.85Å; W41-H59 HydrophobicContact CZ2-CB 4.24Å; W41-H59 AromaticContact CZ2-CD2 3.51Å; W41-H59 AromaticContact CZ2-CG 3.86Å; W41-H59 HydrophobicContact CZ3-CB 3.81Å; W41-N181 WeakPolarHBondContact CH2-O 3.48Å; W41-P183 HydrophobicContact CD2-CG 4.02Å; W41-P183 HydrophobicContact CE3-CG 3.66Å; W41-P183 HydrophobicContact CH2-CG 4.09Å; W41-P183 HydrophobicContact CZ2-CG 4.44Å; W41-P183 HydrophobicContact CZ3-CG 3.71Å
42L97.7Very high94.9Very high0 Ų045 Ų450%022%0.224CC..Hα-helixtrans-62.3-49.2175.5-72.3167.6000111L16 F19 L38 L39 A44 R45 N46 F47 L49L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.92Å; F19-L42 HydrophobicContact CB-CD1 4.15Å; F19-L42 HydrophobicContact CB-CD2 4.1Å; F19-L42 HydrophobicContact CB-CG 4.48Å; F19-L42 HydrophobicContact CD1-CD1 3.84Å; F19-L42 HydrophobicContact CD1-CD2 4.11Å; F19-L42 HydrophobicContact CD1-CG 3.81Å; F19-L42 HydrophobicContact CD2-CD2 4.16Å; F19-L42 HydrophobicContact CE1-CG 4.14Å; F19-L42 HydrophobicContact CG-CD1 4.18Å; F19-L42 HydrophobicContact CG-CD2 3.88Å; F19-L42 HydrophobicContact CG-CG 4.1Å; L38-L42 PolarHBondContact O-N 2.83Å; L39-L42 HydrophobicContact CD2-CD1 4.15Å; L39-L42 PolarHBondContact O-N 3.43Å; L42-A44 PolarHBondContact O-N 2.9Å; L42-R45 CarbonylContact O-C 3.53Å; L42-R45 PolarHBondContact O-N 2.93Å; L42-R45 VanDerWaalsContact O-N 3.1Å; L42-N46 PolarHBondContact O-N 3.47Å; L42-F47 HydrophobicContact CB-CD1 3.87Å; L42-F47 HydrophobicContact CB-CE1 3.99Å; L42-F47 HydrophobicContact CB-CG 4.26Å; L42-F47 HydrophobicContact CB-CZ 4.47Å; L42-F47 HydrophobicContact CD1-CD1 4.24Å; L42-F47 HydrophobicContact CD1-CE1 4.22Å; L42-F47 HydrophobicContact CD2-CD1 4.38Å; L42-F47 HydrophobicContact CG-CD1 4.4Å; L42-F47 PolarHBondContact O-N 3.29Å; L42-L49 HydrophobicContact CD2-CD2 3.94Å
43L96.2Very high95.7Very high35 Ų3543.4 Ų43.418%0.18321%0.214CC..Hα-helixtrans-57.1-48.4177.8-77.6167.2000111.5R4 L39 R45 N46 F47 E184R4-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.23Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.11Å; L39-L43 PolarHBondContact O-N 3.48Å; L43-R45 PolarHBondContact O-N 3.25Å; L43-N46 PolarHBondContact O-N 3.08Å; L43-F47 HydrophobicContact CD2-CE2 3.76Å; L43-F47 HydrophobicContact CD2-CZ 4.25Å; L43-F47 HydrophobicContact CG-CE2 4.27Å; L43-F47 HydrophobicContact CG-CZ 4.46Å; L43-E184 HydrophobicContact CB-CG 3.86Å; L43-E184 HydrophobicContact CD1-CG 4.41Å
44A95.8Very high96.5Very high24 Ų2444.7 Ų44.720%0.19822%0.217CC..THydrogen-bonded Turntrans-62.3-14.4-18000000114.3R40 L42 M55 P183R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.29Å; R40-A44 PolarHBondContact O-N 3.4Å; R40-A44 VanDerWaalsContact O-N 3.07Å; L42-A44 PolarHBondContact O-N 2.9Å; A44-M55 HydrophobicContact CB-SD 4.37Å; A44-P183 HydrophobicContact CB-CB 3.48Å; A44-P183 VanDerWaalsContact CB-CB 3.48Å; A44-P183 HydrophobicContact CB-CG 4.44Å
45R96.9Very high96.7Very high85 Ų8543.2 Ų43.232%0.32121%0.209SC..THydrogen-bonded Turntrans-123.322.3177.2-61.7-63.3178.7-94.71.8112.5W41 L42 L43 F47 D48 K51 S52 M55W41-R45 PolarHBondContact O-N 3.43Å; L42-R45 CarbonylContact O-C 3.53Å; L42-R45 PolarHBondContact O-N 2.93Å; L42-R45 VanDerWaalsContact O-N 3.1Å; L43-R45 PolarHBondContact O-N 3.25Å; R45-F47 PolarHBondContact O-N 3.43Å; R45-D48 HydrophobicContact CB-CB 4.47Å; R45-D48 WeakPolarHBondContact O-CB 3.4Å; R45-D48 PolarHBondContact O-N 3.38Å; R45-K51 HydrophobicContact CB-CB 4.1Å; R45-K51 HydrophobicContact CG-CB 4.02Å; R45-S52 WeakPolarHBondContact CB-OG 3.4Å; R45-M55 HydrophobicContact CG-SD 4.28Å; R45-M55 PolarHBondContact NH2-SD 3.2Å
46N95.8Very high96.8Very high150 Ų15040.1 Ų40.180%0.80219%0.192SC*.THydrogen-bonded Turntrans52.540.7177.9-58.4-50000113.1L42 L43 D48L42-N46 PolarHBondContact O-N 3.47Å; L43-N46 PolarHBondContact O-N 3.08Å; N46-D48 PolarHBondContact O-N 3.27Å
47F97.3Very high96.8Very high39 Ų3940.5 Ų40.517%0.17119%0.193CC..THydrogen-bonded Turntrans60.519.7-176.7-68.5-100.7000115Q12 A15 L39 L42 L43 R45 L49Q12-F47 HydrophobicContact CB-CD1 4.15Å; Q12-F47 HydrophobicContact CB-CE1 3.64Å; Q12-F47 HydrophobicContact CB-CZ 3.99Å; Q12-F47 HydrophobicContact CG-CD1 3.95Å; Q12-F47 HydrophobicContact CG-CD2 4.25Å; Q12-F47 HydrophobicContact CG-CE1 3.64Å; Q12-F47 HydrophobicContact CG-CE2 3.96Å; Q12-F47 HydrophobicContact CG-CG 4.25Å; Q12-F47 HydrophobicContact CG-CZ 3.66Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.29Å; A15-F47 HydrophobicContact CB-CD1 4.01Å; L39-F47 HydrophobicContact CD2-CE1 3.9Å; L39-F47 HydrophobicContact CD2-CZ 4.08Å; L42-F47 HydrophobicContact CB-CD1 3.87Å; L42-F47 HydrophobicContact CB-CE1 3.99Å; L42-F47 HydrophobicContact CB-CG 4.26Å; L42-F47 HydrophobicContact CB-CZ 4.47Å; L42-F47 HydrophobicContact CD1-CD1 4.24Å; L42-F47 HydrophobicContact CD1-CE1 4.22Å; L42-F47 HydrophobicContact CD2-CD1 4.38Å; L42-F47 HydrophobicContact CG-CD1 4.4Å; L42-F47 PolarHBondContact O-N 3.29Å; L43-F47 HydrophobicContact CD2-CE2 3.76Å; L43-F47 HydrophobicContact CD2-CZ 4.25Å; L43-F47 HydrophobicContact CG-CE2 4.27Å; L43-F47 HydrophobicContact CG-CZ 4.46Å; R45-F47 PolarHBondContact O-N 3.43Å; F47-L49 PolarHBondContact O-N 3.11Å
48D98.1Very high96.9Very high53 Ų5347.9 Ų47.928%0.28322%0.221SC..  trans-70.8105.2168.4-175.8-46.6000109.7R45 N46 Q50 K51 S52R45-D48 HydrophobicContact CB-CB 4.47Å; R45-D48 WeakPolarHBondContact O-CB 3.4Å; R45-D48 PolarHBondContact O-N 3.38Å; N46-D48 PolarHBondContact O-N 3.27Å; D48-Q50 PolarHBondContact O-N 3.05Å; D48-Q50 PolarHBondContact OD1-N 2.85Å; D48-K51 HydrophobicContact CB-CB 4.19Å; D48-K51 HydrophobicContact CB-CD 4.28Å; D48-K51 HydrophobicContact CB-CG 4.44Å; D48-K51 PolarHBondContact O-N 2.79Å; D48-K51 WeakPolarHBondContact OD1-CG 3.4Å; D48-K51 PolarHBondContact OD1-N 3.16Å; D48-K51 WeakPolarHBondContact OD2-CD 3.14Å; D48-K51 VanDerWaalsContact OD2-CE 3.3Å; D48-K51 WeakPolarHBondContact OD2-CE 3.44Å; D48-K51 IonicContact OD2-NZ 3.2Å; D48-K51 PolarHBondContact OD2-NZ 3.26Å; D48-S52 VanDerWaalsContact O-CB 3.28Å; D48-S52 WeakPolarHBondContact O-CB 3.18Å; D48-S52 PolarHBondContact O-N 3.29Å; D48-S52 PolarHBondContact O-OG 2.9Å
49L97.8Very high97Very high34 Ų3448.1 Ų48.118%0.17822%0.222CC..Hα-helixtrans-56.9-47.3-173.4-66.4177.9000112.7A15 R18 F19 L42 F47 S52 E53A15-L49 HydrophobicContact CB-CD2 4.15Å; A15-L49 WeakPolarHBondContact O-CD2 3.49Å; R18-L49 HydrophobicContact CB-CD1 4.1Å; F19-L49 HydrophobicContact CB-CD2 3.89Å; F19-L49 HydrophobicContact CD2-CD2 4.44Å; L42-L49 HydrophobicContact CD2-CD2 3.94Å; F47-L49 PolarHBondContact O-N 3.11Å; L49-S52 PolarHBondContact O-N 3.02Å; L49-E53 VanDerWaalsContact O-CB 3.3Å; L49-E53 WeakPolarHBondContact O-CB 3.37Å; L49-E53 PolarHBondContact O-N 2.85Å
50Q97.5Very high96.9Very high111 Ų11149.1 Ų49.152%0.51923%0.227SC..Hα-helixtrans-66.1-47.2-176.4-174.764.351.600110.9D48 S52 E53 D54D48-Q50 PolarHBondContact O-N 3.05Å; D48-Q50 PolarHBondContact OD1-N 2.85Å; Q50-S52 VanDerWaalsContact C-N 3.31Å; Q50-S52 PolarHBondContact O-N 2.74Å; Q50-E53 PolarHBondContact O-N 2.69Å; Q50-D54 PolarHBondContact NE2-OD1 2.74Å; Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 VanDerWaalsContact O-CG 3.27Å; Q50-D54 PolarHBondContact O-N 3.32Å
51K98.1Very high96.9Very high118 Ų11852.5 Ų52.551%0.51324%0.243SC..Hα-helixtrans-66.6-35.4179.7-67.8-179.9-170.3131.30112.3R45 D48 M55R45-K51 HydrophobicContact CB-CB 4.1Å; R45-K51 HydrophobicContact CG-CB 4.02Å; D48-K51 HydrophobicContact CB-CB 4.19Å; D48-K51 HydrophobicContact CB-CD 4.28Å; D48-K51 HydrophobicContact CB-CG 4.44Å; D48-K51 PolarHBondContact O-N 2.79Å; D48-K51 WeakPolarHBondContact OD1-CG 3.4Å; D48-K51 PolarHBondContact OD1-N 3.16Å; D48-K51 WeakPolarHBondContact OD2-CD 3.14Å; D48-K51 VanDerWaalsContact OD2-CE 3.3Å; D48-K51 WeakPolarHBondContact OD2-CE 3.44Å; D48-K51 IonicContact OD2-NZ 3.2Å; D48-K51 PolarHBondContact OD2-NZ 3.26Å; K51-M55 VanDerWaalsContact O-CB 3.31Å; K51-M55 WeakPolarHBondContact O-CB 3.3Å; K51-M55 PolarHBondContact O-N 2.97Å
52S97.9Very high96.9Very high0 Ų053.7 Ų53.70%025%0.248CC..Hα-helixtrans-65.3-42.6176.2-550000110.7W41 R45 D48 L49 Q50 M55 L56W41-S52 PolarHBondContact O-OG 2.92Å; R45-S52 WeakPolarHBondContact CB-OG 3.4Å; D48-S52 VanDerWaalsContact O-CB 3.28Å; D48-S52 WeakPolarHBondContact O-CB 3.18Å; D48-S52 PolarHBondContact O-N 3.29Å; D48-S52 PolarHBondContact O-OG 2.9Å; L49-S52 PolarHBondContact O-N 3.02Å; Q50-S52 VanDerWaalsContact C-N 3.31Å; Q50-S52 PolarHBondContact O-N 2.74Å; S52-M55 PolarHBondContact O-N 3.15Å; S52-L56 PolarHBondContact O-N 3.16Å
53E96.8Very high96.8Very high21 Ų2154.5 Ų54.510%0.09825%0.252CS..Hα-helixtrans-67-48.7180-176.6177.7161.300110.8F19 N22 L23 L49 Q50 M55 L56 R57F19-E53 HydrophobicContact CE2-CB 3.98Å; N22-E53 WeakPolarHBondContact CB-OE2 3.36Å; N22-E53 PolarHBondContact ND2-OE2 2.9Å; L23-E53 HydrophobicContact CD2-CG 4.01Å; L49-E53 VanDerWaalsContact O-CB 3.3Å; L49-E53 WeakPolarHBondContact O-CB 3.37Å; L49-E53 PolarHBondContact O-N 2.85Å; Q50-E53 PolarHBondContact O-N 2.69Å; E53-M55 PolarHBondContact O-N 3.48Å; E53-L56 PolarHBondContact O-N 3.17Å; E53-R57 HydrophobicContact CG-CG 4.35Å; E53-R57 WeakPolarHBondContact O-CB 3.38Å; E53-R57 VanDerWaalsContact O-CG 3.31Å; E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 3.21Å; E53-R57 IonicContact OE1-CZ 3.8Å; E53-R57 IonicContact OE1-NE 3.38Å; E53-R57 PolarHBondContact OE1-NE 3.34Å; E53-R57 IonicContact OE1-NH2 3.07Å; E53-R57 PolarHBondContact OE1-NH2 3.07Å
54D97.4Very high96.7Very high57 Ų5760.5 Ų60.531%0.30528%0.276SS..Hα-helixtrans-57.3-40.3176.1-72-8000111.7Q50 R58Q50-D54 PolarHBondContact NE2-OD1 2.74Å; Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 VanDerWaalsContact O-CG 3.27Å; Q50-D54 PolarHBondContact O-N 3.32Å; D54-R58 VanDerWaalsContact O-CG 3.3Å; D54-R58 WeakPolarHBondContact O-CG 3.45Å; D54-R58 PolarHBondContact O-N 2.88Å; D54-R58 VanDerWaalsContact O-N 3.1Å
55M97.6Very high96.7Very high7 Ų765.3 Ų65.33%0.03430%0.295CS..Hα-helixtrans-64.8-48.8177.7-173.6-177.4-176.800111.4W41 A44 R45 K51 S52 E53 R58 H59 E179 A180 P183W41-M55 HydrophobicContact CE3-CB 4.37Å; W41-M55 HydrophobicContact CE3-CE 4.16Å; W41-M55 HydrophobicContact CE3-CG 3.75Å; W41-M55 HydrophobicContact CE3-SD 3.85Å; W41-M55 HydrophobicContact CZ3-CE 4Å; W41-M55 HydrophobicContact CZ3-CG 3.88Å; W41-M55 HydrophobicContact CZ3-SD 4.22Å; A44-M55 HydrophobicContact CB-SD 4.37Å; R45-M55 HydrophobicContact CG-SD 4.28Å; R45-M55 PolarHBondContact NH2-SD 3.2Å; K51-M55 VanDerWaalsContact O-CB 3.31Å; K51-M55 WeakPolarHBondContact O-CB 3.3Å; K51-M55 PolarHBondContact O-N 2.97Å; S52-M55 PolarHBondContact O-N 3.15Å; E53-M55 PolarHBondContact O-N 3.48Å; M55-R58 PolarHBondContact O-N 3.3Å; M55-H59 PolarHBondContact O-N 3.3Å; M55-E179 WeakPolarHBondContact CE-O 3.39Å; M55-A180 WeakPolarHBondContact CE-O 3.5Å; M55-P183 HydrophobicContact CE-CB 3.91Å; M55-P183 HydrophobicContact CE-CG 3.8Å
56L96.4Very high96.6Very high0 Ų063.8 Ų63.80%029%0.291CS..Hα-helixtrans-65.7-39.6179.1176.759.7000111.9F19 L23 L30 F37 L38 W41 S52 E53 R58 H59 M60F19-L56 HydrophobicContact CE1-CD2 4.48Å; F19-L56 HydrophobicContact CZ-CD2 4.18Å; L23-L56 HydrophobicContact CD1-CD2 3.4Å; L23-L56 VanDerWaalsContact CD1-CD2 3.4Å; L23-L56 HydrophobicContact CD2-CD2 3.92Å; L23-L56 HydrophobicContact CG-CD2 4.29Å; L30-L56 HydrophobicContact CD2-CD1 4.07Å; L30-L56 HydrophobicContact CD2-CD2 4.47Å; F37-L56 HydrophobicContact CE1-CD1 3.77Å; F37-L56 HydrophobicContact CE1-CD2 4.4Å; F37-L56 HydrophobicContact CZ-CD1 3.84Å; L38-L56 HydrophobicContact CD2-CD2 4.38Å; W41-L56 HydrophobicContact CD2-CB 4.07Å; W41-L56 HydrophobicContact CD2-CD1 4.02Å; W41-L56 HydrophobicContact CE3-CB 4.23Å; W41-L56 HydrophobicContact CG-CB 4.26Å; W41-L56 HydrophobicContact CG-CD1 4.48Å; W41-L56 HydrophobicContact CH2-CD1 4.36Å; W41-L56 HydrophobicContact CZ2-CD1 3.76Å; S52-L56 PolarHBondContact O-N 3.16Å; E53-L56 PolarHBondContact O-N 3.17Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.33Å; L56-H59 WeakPolarHBondContact O-CA 3.12Å; L56-H59 WeakPolarHBondContact O-CB 3.36Å; L56-H59 PolarHBondContact O-N 2.78Å; L56-H59 VanDerWaalsContact O-N 3.11Å; L56-M60 HydrophobicContact CD1-SD 4.49Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.08Å
57R95.8Very high96.6Very high80 Ų8060 Ų6030%0.30227%0.271SS..Hα-helixtrans-60.2-41.8175.6-72.3-174.8-177.4-67.1-3.4111.6N22 L26 E53 H59 M60 E61N22-R57 PolarHBondContact O-NH2 3.35Å; L26-R57 HydrophobicContact CD1-CG 3.78Å; L26-R57 VanDerWaalsContact CD1-NH1 3.28Å; E53-R57 HydrophobicContact CG-CG 4.35Å; E53-R57 WeakPolarHBondContact O-CB 3.38Å; E53-R57 VanDerWaalsContact O-CG 3.31Å; E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 3.21Å; E53-R57 IonicContact OE1-CZ 3.8Å; E53-R57 IonicContact OE1-NE 3.38Å; E53-R57 PolarHBondContact OE1-NE 3.34Å; E53-R57 IonicContact OE1-NH2 3.07Å; E53-R57 PolarHBondContact OE1-NH2 3.07Å; R57-H59 VanDerWaalsContact C-N 3.35Å; R57-M60 PolarHBondContact O-N 3.47Å; R57-E61 PolarHBondContact O-N 3.04Å
58R97.3Very high96.5Very high169 Ų16958.3 Ų58.364%0.63826%0.264SS*.Hα-helixtrans-65.4-37.9173.1-71177.2-140.4163.64.3112.2D54 M55 L56 M60 E61 F62D54-R58 VanDerWaalsContact O-CG 3.3Å; D54-R58 WeakPolarHBondContact O-CG 3.45Å; D54-R58 PolarHBondContact O-N 2.88Å; D54-R58 VanDerWaalsContact O-N 3.1Å; M55-R58 PolarHBondContact O-N 3.3Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.33Å; R58-M60 VanDerWaalsContact C-N 3.31Å; R58-M60 PolarHBondContact O-N 3.42Å; R58-E61 PolarHBondContact O-N 3.22Å; R58-F62 PolarHBondContact O-N 2.67Å
59H96.6Very high96.2Very high5 Ų561.5 Ų61.52%0.02328%0.281CS..Hα-helixtrans-60.7-41.2173.417663.5000111.7W41 M55 L56 R57 E61 F62 R63 N181W41-H59 HydrophobicContact CH2-CB 3.43Å; W41-H59 VanDerWaalsContact CH2-CB 3.43Å; W41-H59 AromaticContact CH2-CD2 3.47Å; W41-H59 VanDerWaalsContact CH2-CD2 3.47Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.46Å; W41-H59 AromaticContact CH2-CG 3.29Å; W41-H59 AromaticContact CH2-ND1 3.85Å; W41-H59 HydrophobicContact CZ2-CB 4.24Å; W41-H59 AromaticContact CZ2-CD2 3.51Å; W41-H59 AromaticContact CZ2-CG 3.86Å; W41-H59 HydrophobicContact CZ3-CB 3.81Å; M55-H59 PolarHBondContact O-N 3.3Å; L56-H59 WeakPolarHBondContact O-CA 3.12Å; L56-H59 WeakPolarHBondContact O-CB 3.36Å; L56-H59 PolarHBondContact O-N 2.78Å; L56-H59 VanDerWaalsContact O-N 3.11Å; R57-H59 VanDerWaalsContact C-N 3.35Å; H59-E61 VanDerWaalsContact C-N 3.33Å; H59-E61 PolarHBondContact O-N 2.71Å; H59-F62 CarbonylContact O-C 3.55Å; H59-F62 WeakPolarHBondContact O-CA 3.42Å; H59-F62 WeakPolarHBondContact O-CB 3.5Å; H59-F62 PolarHBondContact O-N 2.88Å; H59-F62 VanDerWaalsContact O-N 3.14Å; H59-R63 WeakPolarHBondContact NE2-CD 3.3Å; H59-R63 WeakPolarHBondContact O-CG 3.45Å; H59-R63 PolarHBondContact O-N 3.41Å; H59-N181 PolarHBondContact ND1-OD1 2.79Å; H59-N181 VanDerWaalsContact ND1-OD1 3.1Å
60M94.9Very high96.1Very high24 Ų2464 Ų6412%0.11829%0.294CS..Hα-helixtrans-62.1-40176.7-66-47.9-67.700112.9L26 M29 L30 L56 R57 R58 R63 K64L26-M60 HydrophobicContact CD1-CG 4.26Å; M29-M60 HydrophobicContact CB-CE 3.88Å; M29-M60 WeakPolarHBondContact O-CE 3.46Å; L30-M60 HydrophobicContact CD2-CE 4.09Å; L30-M60 HydrophobicContact CD2-CG 4.37Å; L30-M60 HydrophobicContact CD2-SD 3.44Å; L30-M60 WeakPolarHBondContact CD2-SD 3.42Å; L56-M60 HydrophobicContact CD1-SD 4.49Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.08Å; R57-M60 PolarHBondContact O-N 3.47Å; R58-M60 VanDerWaalsContact C-N 3.31Å; R58-M60 PolarHBondContact O-N 3.42Å; M60-R63 PolarHBondContact O-N 3.1Å; M60-K64 PolarHBondContact O-N 2.55Å
61E95.5Very high96.1Very high91 Ų9158.8 Ų58.843%0.42527%0.27SS..Hα-helixtrans-65.5-42.2173-179.256.5-154.500111.3R57 R58 H59 R63 K64 Q65R57-E61 PolarHBondContact O-N 3.04Å; R58-E61 PolarHBondContact O-N 3.22Å; H59-E61 VanDerWaalsContact C-N 3.33Å; H59-E61 PolarHBondContact O-N 2.71Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.99Å; E61-K64 PolarHBondContact O-N 2.64Å; E61-Q65 HydrophobicContact CG-CG 4.35Å; E61-Q65 WeakPolarHBondContact O-CG 3.25Å; E61-Q65 PolarHBondContact O-N 2.61Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.35Å; E61-Q65 PolarHBondContact OE1-NE2 3.18Å
62F96.8Very high95.8Very high24 Ų2456 Ų5611%0.10526%0.263CS..Hα-helixtrans-59.5-42.7174.1172.1-96.2000112.3R58 H59 K64 Q65 Q66 L68 I125 I177 N181R58-F62 PolarHBondContact O-N 2.67Å; H59-F62 CarbonylContact O-C 3.55Å; H59-F62 WeakPolarHBondContact O-CA 3.42Å; H59-F62 WeakPolarHBondContact O-CB 3.5Å; H59-F62 PolarHBondContact O-N 2.88Å; H59-F62 VanDerWaalsContact O-N 3.14Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 3.33Å; F62-Q65 PolarHBondContact O-N 3.36Å; F62-Q66 HydrophobicContact CD2-CG 3.77Å; F62-Q66 HydrophobicContact CE1-CG 4.27Å; F62-Q66 HydrophobicContact CE2-CG 3.42Å; F62-Q66 VanDerWaalsContact CE2-CG 3.42Å; F62-Q66 HydrophobicContact CG-CG 4.35Å; F62-Q66 HydrophobicContact CZ-CB 4.42Å; F62-Q66 HydrophobicContact CZ-CG 3.7Å; F62-Q66 WeakPolarHBondContact O-CB 3.26Å; F62-Q66 PolarHBondContact O-N 2.85Å; F62-L68 HydrophobicContact CD1-CD1 3.83Å; F62-L68 HydrophobicContact CE1-CD1 3.61Å; F62-L68 HydrophobicContact CE1-CD2 4.34Å; F62-L68 HydrophobicContact CE1-CG 4.38Å; F62-I125 HydrophobicContact CE1-CG2 4.37Å; F62-I125 HydrophobicContact CE2-CD1 4.17Å; F62-I125 HydrophobicContact CZ-CD1 3.73Å; F62-I125 HydrophobicContact CZ-CG1 4.15Å; F62-I125 HydrophobicContact CZ-CG2 4.13Å; F62-I177 HydrophobicContact CE1-CG2 4.44Å; F62-I177 HydrophobicContact CE2-CG1 4.49Å; F62-I177 HydrophobicContact CE2-CG2 3.88Å; F62-I177 HydrophobicContact CZ-CG2 3.56Å; F62-N181 WeakPolarHBondContact CB-OD1 3.43Å; F62-N181 HydrophobicContact CD1-CB 4.06Å; F62-N181 VanDerWaalsContact CD1-CG 3.42Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.41Å; F62-N181 HydrophobicContact CE1-CB 4.02Å; F62-N181 VanDerWaalsContact CG-OD1 3.25Å; F62-N181 WeakPolarHBondContact CG-OD1 3.41Å
63R95.8Very high95.7Very high17 Ų1760.9 Ų60.96%0.06429%0.293CS..Hα-helixtrans-54.6-46.5176-73.1-170.868.976.52.5111.2H59 M60 E61 D67 L68 D69 E129H59-R63 WeakPolarHBondContact NE2-CD 3.3Å; H59-R63 WeakPolarHBondContact O-CG 3.45Å; H59-R63 PolarHBondContact O-N 3.41Å; M60-R63 PolarHBondContact O-N 3.1Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.99Å; R63-D67 WeakPolarHBondContact O-CA 3.47Å; R63-D67 PolarHBondContact O-N 3.01Å; R63-L68 HydrophobicContact CB-CB 4.44Å; R63-L68 HydrophobicContact CB-CD1 4.24Å; R63-L68 HydrophobicContact CB-CG 4.42Å; R63-L68 HydrophobicContact CG-CB 4.48Å; R63-L68 HydrophobicContact CG-CD1 3.73Å; R63-L68 HydrophobicContact CG-CG 4.41Å; R63-L68 PolarHBondContact O-N 2.84Å; R63-D69 IonicContact CZ-OD1 3.31Å; R63-D69 IonicContact NE-OD1 3.88Å; R63-D69 IonicContact NH2-OD1 2.65Å; R63-D69 PolarHBondContact NH2-OD1 2.92Å; R63-E129 IonicContact NH1-OE2 2.66Å
64K94.8Very high95.7Very high162 Ų16262.7 Ų62.770%0.70430%0.299SS*.Hα-helixtrans-67-48178.3-174.4-177.8177.9-174.40112.1M60 E61 F62 Q66 D67M60-K64 PolarHBondContact O-N 2.55Å; E61-K64 PolarHBondContact O-N 2.64Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 3.33Å; K64-Q66 VanDerWaalsContact C-N 3.29Å; K64-Q66 PolarHBondContact O-N 3.06Å; K64-D67 PolarHBondContact O-N 2.73Å
65Q95.7Very high95.7Very high125 Ų12565.7 Ų65.758%0.58431%0.311SS*.Hα-helixtrans-63.8-35.1-179-72.3177.9400112.9E61 F62E61-Q65 HydrophobicContact CG-CG 4.35Å; E61-Q65 WeakPolarHBondContact O-CG 3.25Å; E61-Q65 PolarHBondContact O-N 2.61Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.35Å; E61-Q65 PolarHBondContact OE1-NE2 3.18Å; F62-Q65 PolarHBondContact O-N 3.36Å
66Q95.6Very high95.6Very high52 Ų5265.6 Ų65.624%0.24331%0.311CS..THydrogen-bonded Turntrans-94.10.6178.8-63.5-55.4-55.100113.3F62 K64 L68 R122 I125F62-Q66 HydrophobicContact CD2-CG 3.77Å; F62-Q66 HydrophobicContact CE1-CG 4.27Å; F62-Q66 HydrophobicContact CE2-CG 3.42Å; F62-Q66 VanDerWaalsContact CE2-CG 3.42Å; F62-Q66 HydrophobicContact CG-CG 4.35Å; F62-Q66 HydrophobicContact CZ-CB 4.42Å; F62-Q66 HydrophobicContact CZ-CG 3.7Å; F62-Q66 WeakPolarHBondContact O-CB 3.26Å; F62-Q66 PolarHBondContact O-N 2.85Å; K64-Q66 VanDerWaalsContact C-N 3.29Å; K64-Q66 PolarHBondContact O-N 3.06Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 HydrophobicContact CB-CD2 3.58Å; Q66-L68 HydrophobicContact CB-CG 4.06Å; Q66-L68 PolarHBondContact O-N 3.47Å; Q66-R122 PolarHBondContact O-NH1 2.78Å; Q66-R122 PolarHBondContact O-NH2 2.82Å; Q66-I125 HydrophobicContact CG-CD1 4.27Å
67D95.9Very high95.7Very high72 Ų7267.7 Ų67.739%0.38532%0.324SS..THydrogen-bonded Turntrans49.351.1-177.9-176.133.6000111.6R63 K64 D69 N70 I71R63-D67 WeakPolarHBondContact O-CA 3.47Å; R63-D67 PolarHBondContact O-N 3.01Å; K64-D67 PolarHBondContact O-N 2.73Å; D67-D69 PolarHBondContact O-N 3.43Å; D67-N70 PolarHBondContact O-N 2.75Å; D67-N70 PolarHBondContact OD1-ND2 2.95Å; D67-I71 PolarHBondContact O-N 2.73Å
68L95.4Very high95.8Very high3 Ų369.8 Ų69.82%0.01634%0.337CS..THydrogen-bonded Turntrans-65.6-26-174.4-64.1-170.2000112.8F62 R63 Q66 N70 I71 I125 E129F62-L68 HydrophobicContact CD1-CD1 3.83Å; F62-L68 HydrophobicContact CE1-CD1 3.61Å; F62-L68 HydrophobicContact CE1-CD2 4.34Å; F62-L68 HydrophobicContact CE1-CG 4.38Å; R63-L68 HydrophobicContact CB-CB 4.44Å; R63-L68 HydrophobicContact CB-CD1 4.24Å; R63-L68 HydrophobicContact CB-CG 4.42Å; R63-L68 HydrophobicContact CG-CB 4.48Å; R63-L68 HydrophobicContact CG-CD1 3.73Å; R63-L68 HydrophobicContact CG-CG 4.41Å; R63-L68 PolarHBondContact O-N 2.84Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 HydrophobicContact CB-CD2 3.58Å; Q66-L68 HydrophobicContact CB-CG 4.06Å; Q66-L68 PolarHBondContact O-N 3.47Å; L68-N70 PolarHBondContact O-N 2.89Å; L68-I71 HydrophobicContact CB-CG2 4.49Å; L68-I71 HydrophobicContact CD2-CB 4.43Å; L68-I71 HydrophobicContact CD2-CD1 3.75Å; L68-I71 HydrophobicContact CD2-CG2 4.17Å; L68-I71 VanDerWaalsContact O-CG2 3.25Å; L68-I71 WeakPolarHBondContact O-CG2 3.36Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-I125 HydrophobicContact CD2-CG2 3.43Å; L68-I125 VanDerWaalsContact CD2-CG2 3.43Å; L68-E129 HydrophobicContact CD2-CG 4.5Å
69D92Very high95.8Very high120 Ų12062 Ų6264%0.64231%0.309SS*.THydrogen-bonded Turntrans-63.3-26178.5-59.1-26.8000111.8R63 D67R63-D69 IonicContact CZ-OD1 3.31Å; R63-D69 IonicContact NE-OD1 3.88Å; R63-D69 IonicContact NH2-OD1 2.65Å; R63-D69 PolarHBondContact NH2-OD1 2.92Å; D67-D69 PolarHBondContact O-N 3.43Å
70N95Very high95.9Very high87 Ų8761.8 Ų61.847%0.46531%0.308SS..THydrogen-bonded Turntrans-110.7-4.8179.1-59.5-64.3000113.9D67 L68 V72 T73 W74D67-N70 PolarHBondContact O-N 2.75Å; D67-N70 PolarHBondContact OD1-ND2 2.95Å; L68-N70 PolarHBondContact O-N 2.89Å; N70-V72 VanDerWaalsContact C-N 3.25Å; N70-V72 PolarHBondContact O-N 2.92Å; N70-V72 VanDerWaalsContact O-N 3.16Å; N70-T73 PolarHBondContact O-N 2.98Å; N70-T73 PolarHBondContact O-OG1 2.89Å; N70-W74 PolarHBondContact O-N 3.1Å
71I96.6Very high95.9Very high0 Ų065 Ų650%032%0.323CS..THydrogen-bonded Turntrans-63.8-26.6-169.7-160.1175.8000114.1D67 L68 T73 W74 R122 I125 K126 E129D67-I71 PolarHBondContact O-N 2.73Å; L68-I71 HydrophobicContact CB-CG2 4.49Å; L68-I71 HydrophobicContact CD2-CB 4.43Å; L68-I71 HydrophobicContact CD2-CD1 3.75Å; L68-I71 HydrophobicContact CD2-CG2 4.17Å; L68-I71 VanDerWaalsContact O-CG2 3.25Å; L68-I71 WeakPolarHBondContact O-CG2 3.36Å; L68-I71 PolarHBondContact O-N 3.41Å; I71-T73 PolarHBondContact O-N 2.96Å; I71-W74 WeakPolarHBondContact O-CB 3.28Å; I71-W74 PolarHBondContact O-N 3.33Å; I71-R122 HydrophobicContact CD1-CG 4.07Å; I71-R122 HydrophobicContact CG1-CG 4.48Å; I71-I125 HydrophobicContact CD1-CB 4.03Å; I71-I125 HydrophobicContact CD1-CG2 3.65Å; I71-K126 HydrophobicContact CD1-CB 4.14Å; I71-K126 HydrophobicContact CG1-CB 4.01Å; I71-K126 WeakPolarHBondContact O-CD 3.38Å; I71-E129 HydrophobicContact CG2-CB 4.01Å; I71-E129 HydrophobicContact CG2-CG 3.63Å
72V92.7Very high96Very high61 Ų6164.6 Ų64.637%0.3732%0.323SS..THydrogen-bonded Turntrans-62.2-37.2175.1174.10000110.7N70 K126 E129 L130N70-V72 VanDerWaalsContact C-N 3.25Å; N70-V72 PolarHBondContact O-N 2.92Å; N70-V72 VanDerWaalsContact O-N 3.16Å; V72-K126 WeakPolarHBondContact O-CE 3.44Å; V72-K126 PolarHBondContact O-NZ 3.45Å; V72-E129 HydrophobicContact CG2-CB 4.26Å; V72-L130 HydrophobicContact CG1-CD2 3.92Å; V72-L130 HydrophobicContact CG2-CD2 4.49Å
73T95.1Very high96Very high102 Ų10265.8 Ų65.863%0.62633%0.327SS*.THydrogen-bonded Turntrans-83.6-22.3178.769.50000113.4N70 I71 Q75N70-T73 PolarHBondContact O-N 2.98Å; N70-T73 PolarHBondContact O-OG1 2.89Å; I71-T73 PolarHBondContact O-N 2.96Å; T73-Q75 PolarHBondContact O-N 3.02Å; T73-Q75 PolarHBondContact O-NE2 3.34Å
74W97.2Very high96.1Very high58 Ų5865.7 Ų65.722%0.2233%0.328CS..PPolyproline II helixtrans-57.7127.6176.8172.679.2000111.3N70 I71 P76 R122 K123 K126N70-W74 PolarHBondContact O-N 3.1Å; I71-W74 WeakPolarHBondContact O-CB 3.28Å; I71-W74 PolarHBondContact O-N 3.33Å; W74-P76 HydrophobicContact CE3-CG 4.21Å; W74-P76 HydrophobicContact CH2-CB 3.81Å; W74-P76 HydrophobicContact CH2-CG 4.12Å; W74-P76 HydrophobicContact CZ3-CB 3.91Å; W74-P76 HydrophobicContact CZ3-CG 3.67Å; W74-R122 HydrophobicContact CD2-CG 4.33Å; W74-R122 HydrophobicContact CE3-CG 4.08Å; W74-R122 HydrophobicContact CH2-CB 4.01Å; W74-R122 HydrophobicContact CH2-CG 3.93Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.19Å; W74-R122 HydrophobicContact CZ3-CB 4.24Å; W74-R122 HydrophobicContact CZ3-CG 3.88Å; W74-K123 HydrophobicContact CZ3-CB 4.41Å; W74-K126 HydrophobicContact CE3-CD 4.12Å; W74-K126 PolarHBondContact O-NZ 3.28Å
75Q96.7Very high96.1Very high120 Ų12058.5 Ų58.556%0.56130%0.298SS*.PPolyproline II helixtrans-94.6123177.9-63.4-57.8-32.300110.2T73T73-Q75 PolarHBondContact O-N 3.02Å; T73-Q75 PolarHBondContact O-NE2 3.34Å
76P96.5Very high96.2Very high6 Ų652.9 Ų52.94%0.03927%0.274CS..PPolyproline II helixtrans-61.6158.6171.9-15.226.9000111.4W74 I80 Q81 K123W74-P76 HydrophobicContact CE3-CG 4.21Å; W74-P76 HydrophobicContact CH2-CB 3.81Å; W74-P76 HydrophobicContact CH2-CG 4.12Å; W74-P76 HydrophobicContact CZ3-CB 3.91Å; W74-P76 HydrophobicContact CZ3-CG 3.67Å; P76-I80 HydrophobicContact CB-CB 4.06Å; P76-I80 HydrophobicContact CB-CG2 3.86Å; P76-Q81 HydrophobicContact CB-CG 4.07Å; P76-Q81 HydrophobicContact CG-CG 4.2Å; P76-Q81 PolarHBondContact O-NE2 3.36Å; P76-K123 HydrophobicContact CB-CD 4.49Å; P76-K123 HydrophobicContact CG-CD 3.74Å
77P97.5Very high96.3Very high43 Ų4350.8 Ų50.828%0.27927%0.266SS..PPolyproline II helixtrans-47.3142.6165.3-27.733.5000112.2V79 I80 Q81 D119P77-V79 HydrophobicContact CB-CG1 4.26Å; P77-V79 PolarHBondContact O-N 3.24Å; P77-V79 VanDerWaalsContact O-N 3.16Å; P77-I80 HydrophobicContact CG-CD1 4.27Å; P77-I80 WeakPolarHBondContact O-CB 3.3Å; P77-I80 PolarHBondContact O-N 3.13Å; P77-Q81 PolarHBondContact O-N 2.84Å; P77-Q81 VanDerWaalsContact O-N 3.15Å; P77-D119 HydrophobicContact CG-CB 4.1Å
78E97.5Very high96.4Very high124 Ų12449.7 Ų49.758%0.57926%0.26SS*.Hα-helixtrans-50.8-43.6-176.7-178.3-179.1-165.800112.3I80 Q81 L82 F268E78-I80 VanDerWaalsContact C-N 3.27Å; E78-I80 PolarHBondContact O-N 3.3Å; E78-Q81 WeakPolarHBondContact O-CB 3.27Å; E78-Q81 PolarHBondContact O-N 3.37Å; E78-L82 HydrophobicContact CG-CD1 3.71Å; E78-L82 HydrophobicContact CG-CG 4.18Å; E78-L82 WeakPolarHBondContact O-CG 3.02Å; E78-L82 PolarHBondContact O-N 3.02Å; E78-F268 HydrophobicContact CB-CE1 4.45Å; E78-F268 HydrophobicContact CG-CE1 4.25Å
79V98Very high96.6Very high5 Ų549.6 Ų49.63%0.0326%0.259CS..Hα-helixtrans-58.3-36.4177.869.50000113.2P77 Y83 L111 A115 V264 F268P77-V79 HydrophobicContact CB-CG1 4.26Å; P77-V79 PolarHBondContact O-N 3.24Å; P77-V79 VanDerWaalsContact O-N 3.16Å; V79-Y83 HydrophobicContact CG2-CD2 3.9Å; V79-Y83 WeakPolarHBondContact O-CB 3.4Å; V79-Y83 WeakPolarHBondContact O-CD2 3.49Å; V79-Y83 PolarHBondContact O-N 2.7Å; V79-L111 HydrophobicContact CG2-CD2 4.48Å; V79-A115 HydrophobicContact CG1-CB 4Å; V79-V264 HydrophobicContact CG2-CB 4.48Å; V79-V264 HydrophobicContact CG2-CG1 3.43Å; V79-V264 VanDerWaalsContact CG2-CG1 3.43Å; V79-V264 HydrophobicContact CG2-CG2 4.18Å; V79-F268 HydrophobicContact CB-CB 4.33Å; V79-F268 HydrophobicContact CB-CD1 3.75Å; V79-F268 HydrophobicContact CB-CE1 4.24Å; V79-F268 HydrophobicContact CB-CG 4.09Å; V79-F268 HydrophobicContact CG2-CB 3.96Å; V79-F268 HydrophobicContact CG2-CD1 4.14Å; V79-F268 HydrophobicContact CG2-CD2 4.46Å; V79-F268 HydrophobicContact CG2-CG 3.95Å
80I97.9Very high96.9Very high1 Ų144 Ų441%0.00523%0.23CC..Hα-helixtrans-72.2-39.2176.1-66.9-177.6000109.9P76 P77 E78 L82 D84 A115 D119 L120 K123P76-I80 HydrophobicContact CB-CB 4.06Å; P76-I80 HydrophobicContact CB-CG2 3.86Å; P77-I80 HydrophobicContact CG-CD1 4.27Å; P77-I80 WeakPolarHBondContact O-CB 3.3Å; P77-I80 PolarHBondContact O-N 3.13Å; E78-I80 VanDerWaalsContact C-N 3.27Å; E78-I80 PolarHBondContact O-N 3.3Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.19Å; I80-D84 HydrophobicContact CG2-CB 3.8Å; I80-D84 WeakPolarHBondContact O-CB 3.45Å; I80-D84 PolarHBondContact O-N 3.33Å; I80-A115 HydrophobicContact CD1-CB 3.66Å; I80-A115 HydrophobicContact CG1-CB 3.85Å; I80-D119 HydrophobicContact CD1-CB 3.66Å; I80-L120 HydrophobicContact CD1-CD2 3.67Å; I80-L120 HydrophobicContact CD1-CG 4Å; I80-L120 HydrophobicContact CG1-CD2 3.87Å; I80-K123 HydrophobicContact CG2-CB 4.02Å; I80-K123 HydrophobicContact CG2-CD 4.29Å; I80-K123 HydrophobicContact CG2-CG 3.75Å
81Q96.5Very high97Very high93 Ų9342.1 Ų42.144%0.43522%0.217SC..Hα-helixtrans-64.1-38.4178-60.1-175.752.700112.2P76 P77 E78 N259P76-Q81 HydrophobicContact CB-CG 4.07Å; P76-Q81 HydrophobicContact CG-CG 4.2Å; P76-Q81 PolarHBondContact O-NE2 3.36Å; P77-Q81 PolarHBondContact O-N 2.84Å; P77-Q81 VanDerWaalsContact O-N 3.15Å; E78-Q81 WeakPolarHBondContact O-CB 3.27Å; E78-Q81 PolarHBondContact O-N 3.37Å; Q81-N259 PolarHBondContact O-ND2 3.27Å
82L96.9Very high97.1Very high82 Ų8242.7 Ų42.743%0.42922%0.219SC..Hα-helixtrans-84.3-33.7-176.3-66178.2000113.5E78 I80 N259 F268E78-L82 HydrophobicContact CG-CD1 3.71Å; E78-L82 HydrophobicContact CG-CG 4.18Å; E78-L82 WeakPolarHBondContact O-CG 3.02Å; E78-L82 PolarHBondContact O-N 3.02Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.19Å; L82-N259 VanDerWaalsContact C-ND2 3.27Å; L82-N259 PolarHBondContact O-ND2 3.22Å; L82-N259 PolarHBondContact O-OD1 3.31Å; L82-F268 HydrophobicContact CD1-CZ 4.18Å
83Y97.9Very high97.4Very high48 Ų4846.4 Ų46.419%0.18823%0.228CC..Hα-helixtrans-124.7-10.2-168.5-58.6-83.1000115.6V79 S85 G261 E263 V264 P265 F268V79-Y83 HydrophobicContact CG2-CD2 3.9Å; V79-Y83 WeakPolarHBondContact O-CB 3.4Å; V79-Y83 WeakPolarHBondContact O-CD2 3.49Å; V79-Y83 PolarHBondContact O-N 2.7Å; Y83-S85 PolarHBondContact O-N 3.08Å; Y83-G261 WeakPolarHBondContact O-CA 3.26Å; Y83-E263 WeakPolarHBondContact CE1-O 3.47Å; Y83-V264 HydrophobicContact CD1-CG2 4.39Å; Y83-V264 HydrophobicContact CD2-CG2 4.27Å; Y83-V264 HydrophobicContact CG-CG2 3.9Å; Y83-P265 HydrophobicContact CE2-CG 4.44Å; Y83-P265 WeakPolarHBondContact OH-CD 3.36Å; Y83-P265 WeakPolarHBondContact OH-CG 3.3Å; Y83-F268 HydrophobicContact CE2-CD2 4.25Å; Y83-F268 AromaticContact CE2-CE2 3.83Å; Y83-F268 HydrophobicContact CE2-CE2 3.83Å; Y83-F268 HydrophobicContact CE2-CZ 4.4Å
84D96Very high97.4Very high15 Ų1546.1 Ų46.18%0.0822%0.219CC..SBendtrans-77.8119.6169.6-161.828.3000108.4I80 R124I80-D84 HydrophobicContact CG2-CB 3.8Å; I80-D84 WeakPolarHBondContact O-CB 3.45Å; I80-D84 PolarHBondContact O-N 3.33Å; D84-R124 IonicContact OD1-CZ 2.85Å; D84-R124 IonicContact OD1-NH1 3.72Å; D84-R124 IonicContact OD1-NH2 2.75Å; D84-R124 PolarHBondContact OD1-NH2 2.84Å; D84-R124 IonicContact OD2-CZ 3.17Å; D84-R124 IonicContact OD2-NH1 2.76Å; D84-R124 PolarHBondContact OD2-NH1 3.35Å; D84-R124 VanDerWaalsContact OD2-NH1 3.1Å; D84-R124 IonicContact OD2-NH2 2.91Å
85S96.1Very high97.5Very high11 Ų1143.7 Ų43.78%0.07721%0.212CC..  trans-84.6155.5-16963.40000112.9Y83 I102 L106 N259Y83-S85 PolarHBondContact O-N 3.08Å; S85-I102 WeakPolarHBondContact CB-O 3.43Å; S85-I102 PolarHBondContact OG-O 3.23Å; S85-L106 VanDerWaalsContact OG-CD1 3.28Å; S85-L106 WeakPolarHBondContact OG-CD1 3.35Å; S85-N259 CarbonylContact C-O 3.52Å; S85-N259 WeakPolarHBondContact CA-O 3.43Å
86G97.6Very high97.6Very high8 Ų838.2 Ų38.28%0.08219%0.188CC..BIsolated β-bridgetrans111.1179.5179.500000113.7F100 N259G86-F100 CarbonylContact C-O 3.55Å; G86-F100 WeakPolarHBondContact CA-O 3.48Å; G86-N259 PolarHBondContact N-O 3.11Å; G86-N259 PolarHBondContact O-N 2.99Å
87G97.8Very high97.7Very high7 Ų738 Ų387%0.07219%0.186CC..EExtended strand (participates in β ladder)trans170.2160.9179.500000113.7Y99 F100 K257G87-Y99 WeakPolarHBondContact O-CA 3.39Å; G87-F100 PolarHBondContact N-O 3.35Å; G87-F100 PolarHBondContact O-N 3.45Å; G87-K257 WeakPolarHBondContact CA-O 3.11Å
88L98.3Very high97.7Very high50 Ų5035.9 Ų35.926%0.26217%0.172SC..EExtended strand (participates in β ladder)trans-81.2121.3174.8-171.9156.9000108.7P97 V98 Y99 L131 E134L88-P97 HydrophobicContact CD1-CB 4.42Å; L88-V98 WeakPolarHBondContact CA-O 3.35Å; L88-Y99 HydrophobicContact CB-CD2 4.17Å; L88-L131 HydrophobicContact CD1-CD2 3.77Å; L88-L131 HydrophobicContact CG-CD2 4.32Å; L88-E134 HydrophobicContact CD1-CB 4.04Å; L88-E134 HydrophobicContact CD1-CG 4.02Å; L88-E134 HydrophobicContact CD2-CG 4.49Å
89C98.4Very high97.8Very high0 Ų031.2 Ų31.20%015%0.15CC..EExtended strand (participates in β ladder)trans-149.2107.4-177.8-173.20000111.7V98 F100 K257 I258C89-V98 PolarHBondContact N-O 3.03Å; C89-F100 HydrophobicContact CB-CD2 3.94Å; C89-F100 HydrophobicContact CB-CE2 4.02Å; C89-F100 WeakPolarHBondContact O-CE2 3.38Å; C89-K257 HydrophobicContact CB-CB 4.15Å; C89-K257 HydrophobicContact CB-CD 4.36Å; C89-I258 HydrophobicContact CB-CD1 3.77Å; C89-I258 HydrophobicContact CB-CG1 3.76Å
90G98.1Very high97.8Very high2 Ų231 Ų312%0.02115%0.148CC..EExtended strand (participates in β ladder)trans80.6-178.4175.400000113.8V98G90-V98 PolarHBondContact O-N 3.49Å
91Y98.6Very high97.8Very high49 Ų4931.8 Ų31.819%0.19215%0.154CC..EExtended strand (participates in β ladder)trans-135.1152.4-179.5-49.7-91.5000109.7G95 S96 P97 E134 Q138 Q236Y91-G95 WeakPolarHBondContact CD1-O 3.35Å; Y91-S96 CarbonylContact C-O 3.48Å; Y91-S96 VanDerWaalsContact CA-O 3.23Å; Y91-S96 WeakPolarHBondContact CA-O 3.41Å; Y91-P97 HydrophobicContact CD1-CB 4.19Å; Y91-P97 HydrophobicContact CE1-CB 4.31Å; Y91-E134 HydrophobicContact CE1-CG 3.7Å; Y91-E134 VanDerWaalsContact CE1-OE1 3.25Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.42Å; Y91-E134 VanDerWaalsContact CZ-OE1 3.26Å; Y91-E134 PolarHBondContact OH-OE1 2.87Å; Y91-Q138 VanDerWaalsContact CD1-CD 3.46Å; Y91-Q138 HydrophobicContact CD1-CG 3.63Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.32Å; Y91-Q138 HydrophobicContact CE1-CG 3.32Å; Y91-Q236 VanDerWaalsContact O-CB 3.23Å; Y91-Q236 WeakPolarHBondContact O-CB 3.3Å
92D98.1Very high97.9Very high11 Ų1127.7 Ų27.76%0.05914%0.135CC..BIsolated β-bridgetrans-73.5178.6171.779.61.3000112E94 G95 S96 L150 K187 F231D92-E94 PolarHBondContact O-N 2.79Å; D92-E94 VanDerWaalsContact OD1-CA 3.29Å; D92-E94 WeakPolarHBondContact OD1-CA 3.35Å; D92-E94 WeakPolarHBondContact OD1-CB 3.39Å; D92-E94 PolarHBondContact OD1-N 3.31Å; D92-G95 PolarHBondContact O-N 3.33Å; D92-G95 PolarHBondContact OD1-N 2.63Å; D92-S96 PolarHBondContact N-O 3.04Å; D92-S96 WeakPolarHBondContact OD1-CB 3.36Å; D92-S96 PolarHBondContact OD1-N 3.13Å; D92-S96 WeakPolarHBondContact OD2-CB 3.37Å; D92-L150 HydrophobicContact CB-CD1 4.48Å; D92-K187 IonicContact OD1-NZ 2.71Å; D92-K187 WeakPolarHBondContact OD2-CD 2.86Å; D92-K187 VanDerWaalsContact OD2-CE 3.3Å; D92-K187 WeakPolarHBondContact OD2-CE 3.49Å; D92-K187 IonicContact OD2-NZ 3.64Å; D92-K187 PolarHBondContact OD2-NZ 3.09Å; D92-F231 VanDerWaalsContact CB-O 3.3Å; D92-F231 WeakPolarHBondContact CB-O 3.31Å
93Y97.9Very high97.9Very high139 Ų13924.5 Ų24.555%0.54512%0.118SC..THydrogen-bonded Turntrans-59.1-21.1179-70.8-79.6000114.1T229 F231Y93-T229 WeakPolarHBondContact CE2-O 3.38Å; Y93-T229 PolarHBondContact OH-O 3.02Å; Y93-F231 VanDerWaalsContact CD2-O 3.27Å; Y93-F231 WeakPolarHBondContact CD2-O 3.31Å
94E96.9Very high97.7Very high96 Ų9622.8 Ų22.845%0.44912%0.115SC..THydrogen-bonded Turntrans-95-1.6177.6-62.2-168.879.900113.2D92 R144 I146 K187D92-E94 PolarHBondContact O-N 2.79Å; D92-E94 VanDerWaalsContact OD1-CA 3.29Å; D92-E94 WeakPolarHBondContact OD1-CA 3.35Å; D92-E94 WeakPolarHBondContact OD1-CB 3.39Å; D92-E94 PolarHBondContact OD1-N 3.31Å; E94-R144 VanDerWaalsContact C-NH2 3.27Å; E94-R144 PolarHBondContact O-NH2 3.43Å; E94-R144 IonicContact OE1-NH1 2.68Å; E94-I146 WeakPolarHBondContact O-CD1 3.48Å; E94-K187 WeakPolarHBondContact OE2-CE 3.08Å; E94-K187 IonicContact OE2-NZ 3.82Å; E94-K187 PolarHBondContact OE2-NZ 2.84Å
95G97.8Very high97.7Very high7 Ų724 Ų247%0.07213%0.125CC..  trans84.18.9-177.300000114Y91 D92 Q138Y91-G95 WeakPolarHBondContact CD1-O 3.35Å; D92-G95 PolarHBondContact O-N 3.33Å; D92-G95 PolarHBondContact OD1-N 2.63Å; G95-Q138 WeakPolarHBondContact O-CG 3.23Å; G95-Q138 PolarHBondContact O-NE2 3.21Å
96S98.4Very high97.7Very high6 Ų623.8 Ų23.84%0.04212%0.122CC..  trans-68.1132.5170.8-78.10000110.1Y91 D92 M148Y91-S96 CarbonylContact C-O 3.48Å; Y91-S96 VanDerWaalsContact CA-O 3.23Å; Y91-S96 WeakPolarHBondContact CA-O 3.41Å; D92-S96 PolarHBondContact N-O 3.04Å; D92-S96 WeakPolarHBondContact OD1-CB 3.36Å; D92-S96 PolarHBondContact OD1-N 3.13Å; D92-S96 WeakPolarHBondContact OD2-CB 3.37Å; S96-M148 WeakPolarHBondContact CB-O 3.42Å; S96-M148 PolarHBondContact OG-O 2.78Å
97P98.7Very high97.7Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-65.7145.8179.927.2-34.1000111.8L88 Y91 L131 E134 C135 A149 L150L88-P97 HydrophobicContact CD1-CB 4.42Å; Y91-P97 HydrophobicContact CD1-CB 4.19Å; Y91-P97 HydrophobicContact CE1-CB 4.31Å; P97-L131 HydrophobicContact CB-CD2 4.02Å; P97-L131 HydrophobicContact CG-CD2 4.08Å; P97-E134 HydrophobicContact CB-CB 4.11Å; P97-E134 HydrophobicContact CB-CG 3.67Å; P97-E134 HydrophobicContact CG-CB 4.18Å; P97-E134 HydrophobicContact CG-CG 4.17Å; P97-C135 VanDerWaalsContact CD-SG 3.5Å; P97-A149 HydrophobicContact CG-CB 4.05Å; P97-A149 WeakPolarHBondContact O-CA 3.37Å; P97-L150 PolarHBondContact O-N 3.35Å
98V98.8Very high97.6Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-108.7128.5179.1-178.10000110.3L88 C89 G90 F100 L150 V152 I232L88-V98 WeakPolarHBondContact CA-O 3.35Å; C89-V98 PolarHBondContact N-O 3.03Å; G90-V98 PolarHBondContact O-N 3.49Å; V98-F100 HydrophobicContact CB-CE2 4.39Å; V98-F100 HydrophobicContact CG1-CD2 4.06Å; V98-F100 HydrophobicContact CG1-CE2 3.5Å; V98-F100 HydrophobicContact CG1-CZ 3.96Å; V98-L150 CarbonylContact C-O 3.52Å; V98-L150 WeakPolarHBondContact CA-O 3.44Å; V98-L150 HydrophobicContact CG1-CD2 3.83Å; V98-L150 HydrophobicContact CG2-CB 4.3Å; V98-L150 HydrophobicContact CG2-CD2 4.26Å; V98-V152 HydrophobicContact CG1-CG2 3.93Å; V98-I232 HydrophobicContact CB-CD1 4.42Å; V98-I232 HydrophobicContact CG1-CD1 3.77Å; V98-I232 HydrophobicContact CG2-CD1 3.85Å; V98-I232 HydrophobicContact CG2-CG1 3.96Å
99Y98.8Very high97.4Very high26 Ų2626.2 Ų26.210%0.10213%0.128CC..EExtended strand (participates in β ladder)trans-113.2127.1172.7-164.2-87.6000111.2G87 L88 V127 L131 L150 M151 V152G87-Y99 WeakPolarHBondContact O-CA 3.39Å; L88-Y99 HydrophobicContact CB-CD2 4.17Å; Y99-V127 HydrophobicContact CD1-CG1 4.37Å; Y99-V127 HydrophobicContact CD2-CG1 3.62Å; Y99-V127 HydrophobicContact CE1-CG1 4.17Å; Y99-V127 HydrophobicContact CE2-CB 4.28Å; Y99-V127 HydrophobicContact CE2-CG1 3.36Å; Y99-V127 HydrophobicContact CE2-CG2 3.88Å; Y99-V127 HydrophobicContact CG-CG1 4.12Å; Y99-L131 HydrophobicContact CD2-CD2 4.46Å; Y99-L150 PolarHBondContact N-O 2.92Å; Y99-M151 HydrophobicContact CD1-CE 4.13Å; Y99-M151 CarbonylContact O-C 3.49Å; Y99-M151 WeakPolarHBondContact O-CA 3.49Å; Y99-V152 PolarHBondContact O-N 3.28Å
100F98.8Very high97.3Very high0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-94.5134.6175-70.8-96.5000110.5G86 G87 C89 V98 I102 V152 L237 F241 I258G86-F100 CarbonylContact C-O 3.55Å; G86-F100 WeakPolarHBondContact CA-O 3.48Å; G87-F100 PolarHBondContact N-O 3.35Å; G87-F100 PolarHBondContact O-N 3.45Å; C89-F100 HydrophobicContact CB-CD2 3.94Å; C89-F100 HydrophobicContact CB-CE2 4.02Å; C89-F100 WeakPolarHBondContact O-CE2 3.38Å; V98-F100 HydrophobicContact CB-CE2 4.39Å; V98-F100 HydrophobicContact CG1-CD2 4.06Å; V98-F100 HydrophobicContact CG1-CE2 3.5Å; V98-F100 HydrophobicContact CG1-CZ 3.96Å; F100-I102 HydrophobicContact CB-CD1 4.29Å; F100-V152 CarbonylContact C-O 3.53Å; F100-V152 WeakPolarHBondContact CA-O 3.46Å; F100-V152 HydrophobicContact CD1-CB 3.76Å; F100-V152 HydrophobicContact CD1-CG1 3.92Å; F100-V152 HydrophobicContact CD1-CG2 4.38Å; F100-V152 HydrophobicContact CE1-CB 3.82Å; F100-V152 HydrophobicContact CE1-CG1 3.85Å; F100-V152 HydrophobicContact CE1-CG2 4Å; F100-V152 HydrophobicContact CG-CB 4.39Å; F100-V152 HydrophobicContact CZ-CB 4.48Å; F100-V152 HydrophobicContact CZ-CG2 4.24Å; F100-L237 HydrophobicContact CE1-CD1 4.32Å; F100-L237 HydrophobicContact CZ-CD1 3.78Å; F100-F241 HydrophobicContact CD1-CD1 4.4Å; F100-F241 AromaticContact CD1-CD2 3.8Å; F100-F241 HydrophobicContact CD1-CD2 3.8Å; F100-F241 HydrophobicContact CD1-CE1 4.21Å; F100-F241 AromaticContact CD1-CE2 3.6Å; F100-F241 HydrophobicContact CD1-CE2 3.6Å; F100-F241 HydrophobicContact CD1-CG 4.23Å; F100-F241 AromaticContact CD1-CZ 3.84Å; F100-F241 HydrophobicContact CD1-CZ 3.84Å; F100-F241 HydrophobicContact CE1-CB 4.26Å; F100-F241 HydrophobicContact CE1-CD1 4.14Å; F100-F241 AromaticContact CE1-CD2 3.44Å; F100-F241 HydrophobicContact CE1-CD2 3.44Å; F100-F241 VanDerWaalsContact CE1-CD2 3.44Å; F100-F241 HydrophobicContact CE1-CE1 4.41Å; F100-F241 AromaticContact CE1-CE2 3.78Å; F100-F241 HydrophobicContact CE1-CE2 3.78Å; F100-F241 AromaticContact CE1-CG 3.67Å; F100-F241 HydrophobicContact CE1-CG 3.67Å; F100-F241 HydrophobicContact CE1-CZ 4.26Å; F100-F241 HydrophobicContact CG-CE2 4.33Å; F100-F241 HydrophobicContact CZ-CD2 4.12Å; F100-I258 HydrophobicContact CB-CD1 4.13Å; F100-I258 HydrophobicContact CB-CG2 4.4Å; F100-I258 HydrophobicContact CD2-CD1 3.79Å; F100-I258 HydrophobicContact CE2-CD1 4.39Å; F100-I258 HydrophobicContact CG-CD1 3.89Å
101C98Very high97.3Very high18 Ų1826.2 Ų26.212%0.12213%0.128CC..EExtended strand (participates in β ladder)trans-117.5114.2172.1-68.70000108.7I103 V152 F153 D154C101-I103 HydrophobicContact CB-CD1 4.43Å; C101-V152 PolarHBondContact N-O 2.91Å; C101-F153 HydrophobicContact CB-CD1 3.67Å; C101-F153 HydrophobicContact CB-CD2 4.39Å; C101-F153 HydrophobicContact CB-CE1 3.81Å; C101-F153 HydrophobicContact CB-CG 3.99Å; C101-F153 HydrophobicContact CB-CZ 4.23Å; C101-D154 PolarHBondContact O-N 2.61Å
102I98.3Very high97.2Very high6 Ų624.6 Ų24.63%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-101.8103.4-176.2-46.1-55.2000109.8S85 F100 S105 D154 F241 I258 Y260S85-I102 WeakPolarHBondContact CB-O 3.43Å; S85-I102 PolarHBondContact OG-O 3.23Å; F100-I102 HydrophobicContact CB-CD1 4.29Å; I102-S105 WeakPolarHBondContact CG2-OG 3.37Å; I102-D154 HydrophobicContact CD1-CB 3.94Å; I102-F241 HydrophobicContact CD1-CE1 4.35Å; I102-F241 HydrophobicContact CD1-CZ 3.65Å; I102-I258 HydrophobicContact CD1-CG2 4.4Å; I102-I258 HydrophobicContact CG1-CG2 4.09Å; I102-Y260 HydrophobicContact CD1-CE1 4.45Å; I102-Y260 HydrophobicContact CG1-CD1 4.26Å; I102-Y260 HydrophobicContact CG1-CE1 4.42Å; I102-Y260 HydrophobicContact CG2-CD1 4.17Å
103I97.2Very high97.1Very high16 Ų1624.6 Ų24.68%0.08212%0.122CC..  trans-82.2-49.6-166.6-59.3-53.8000113C101 S105 L106 F153 D154 M155 L158 H162C101-I103 HydrophobicContact CB-CD1 4.43Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 2.84Å; I103-L106 WeakPolarHBondContact O-CB 3.12Å; I103-L106 PolarHBondContact O-N 2.72Å; I103-F153 HydrophobicContact CD1-CD1 4.22Å; I103-F153 HydrophobicContact CG1-CD1 4.45Å; I103-D154 WeakPolarHBondContact CB-O 3.44Å; I103-D154 WeakPolarHBondContact CG1-O 3.41Å; I103-D154 PolarHBondContact N-O 3.11Å; I103-M155 HydrophobicContact CB-SD 4.24Å; I103-M155 HydrophobicContact CG1-CE 4.19Å; I103-M155 HydrophobicContact CG1-SD 3.57Å; I103-M155 VanDerWaalsContact CG1-SD 3.57Å; I103-M155 HydrophobicContact CG2-CE 4.32Å; I103-L158 HydrophobicContact CG2-CB 4.42Å; I103-L158 HydrophobicContact CG2-CD1 3.97Å; I103-H162 PolarHBondContact O-NE2 2.67Å
104G94.1Very high97.1Very high12 Ų1218.2 Ų18.212%0.12410%0.098CC..THydrogen-bonded Turntrans-64.7-30.7-16500000116.1L106 E156 G157 K161G104-L106 VanDerWaalsContact C-N 3.33Å; G104-E156 WeakPolarHBondContact CA-O 3.39Å; G104-E156 PolarHBondContact N-O 3.04Å; G104-E156 VanDerWaalsContact N-O 3.17Å; G104-G157 VanDerWaalsContact CA-C 3.4Å; G104-G157 WeakPolarHBondContact CA-O 3.43Å; G104-K161 WeakPolarHBondContact O-CE 3.4Å; G104-K161 PolarHBondContact O-NZ 2.83Å
105S95.1Very high97.1Very high41 Ų4114 Ų1429%0.2878%0.08SC..THydrogen-bonded Turntrans-84.7-5.6178.853.80000113.6I102 I103 Y260 G262I102-S105 WeakPolarHBondContact CG2-OG 3.37Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 2.84Å; S105-Y260 WeakPolarHBondContact CB-O 3.36Å; S105-Y260 PolarHBondContact OG-O 3.34Å; S105-G262 PolarHBondContact O-N 3.27Å
106L95.6Very high96.9Very high5 Ų516 Ų163%0.0269%0.092CC..  trans-62141.1173-159.395.9000109.7S85 I103 G104 P108 L111 K161S85-L106 VanDerWaalsContact OG-CD1 3.28Å; S85-L106 WeakPolarHBondContact OG-CD1 3.35Å; I103-L106 WeakPolarHBondContact O-CB 3.12Å; I103-L106 PolarHBondContact O-N 2.72Å; G104-L106 VanDerWaalsContact C-N 3.33Å; L106-P108 VanDerWaalsContact C-CD 3.48Å; L106-P108 HydrophobicContact CD2-CB 4.22Å; L106-P108 HydrophobicContact CD2-CG 3.99Å; L106-P108 VanDerWaalsContact O-CD 3.23Å; L106-P108 WeakPolarHBondContact O-CD 3.44Å; L106-L111 HydrophobicContact CD1-CD1 3.95Å; L106-L111 HydrophobicContact CD2-CD1 4.37Å; L106-L111 HydrophobicContact CG-CD1 3.97Å; L106-K161 WeakPolarHBondContact O-CE 3.4Å; L106-K161 PolarHBondContact O-NZ 3Å
107D97.6Very high96.7Very high24 Ų2419.5 Ų19.513%0.12811%0.107CC..  trans-109.384.3167.2177.811.7000109.6K109 G110 L111 G262 V264D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 3.23Å; D107-K109 PolarHBondContact OD1-N 2.99Å; D107-G110 PolarHBondContact O-N 2.98Å; D107-G110 PolarHBondContact OD1-N 3.26Å; D107-G110 WeakPolarHBondContact OD2-CA 3.4Å; D107-L111 WeakPolarHBondContact O-CB 3.43Å; D107-L111 WeakPolarHBondContact O-CG 3.3Å; D107-L111 PolarHBondContact O-N 3.32Å; D107-G262 WeakPolarHBondContact CB-O 3.18Å; D107-V264 HydrophobicContact CB-CG2 4.31Å; D107-V264 PolarHBondContact OD2-N 3.47Å
108P95.4Very high96.6Very high7 Ų727 Ų275%0.04514%0.142CC..Hα-helixtrans-61.2-34.8-175.7-7.410.1000113.2L106 L112 A167L106-P108 VanDerWaalsContact C-CD 3.48Å; L106-P108 HydrophobicContact CD2-CB 4.22Å; L106-P108 HydrophobicContact CD2-CG 3.99Å; L106-P108 VanDerWaalsContact O-CD 3.23Å; L106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-L112 WeakPolarHBondContact O-CB 3.14Å; P108-L112 PolarHBondContact O-N 3.34Å; P108-L112 VanDerWaalsContact O-N 3.12Å; P108-A167 HydrophobicContact CB-CB 3.44Å; P108-A167 VanDerWaalsContact CB-CB 3.44Å; P108-A167 HydrophobicContact CG-CB 4.34Å
109K94.9Very high96.5Very high85 Ų8529 Ų2937%0.3715%0.153SC..Hα-helixtrans-73.8-47.3-178.4-166.4164.1-177.3167.70109.9D107 L111 L112 L113 W164 D350D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 3.23Å; D107-K109 PolarHBondContact OD1-N 2.99Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 3.24Å; K109-L112 PolarHBondContact O-N 3.21Å; K109-L113 HydrophobicContact CG-CD1 4.03Å; K109-L113 HydrophobicContact CG-CG 4.47Å; K109-L113 WeakPolarHBondContact O-CB 3.2Å; K109-L113 VanDerWaalsContact O-CG 3.22Å; K109-L113 WeakPolarHBondContact O-CG 3.26Å; K109-L113 PolarHBondContact O-N 3.22Å; K109-W164 HydrophobicContact CB-CE3 4.28Å; K109-W164 HydrophobicContact CB-CZ3 4.15Å; K109-W164 HydrophobicContact CG-CH2 4.11Å; K109-W164 HydrophobicContact CG-CZ2 4.41Å; K109-W164 HydrophobicContact CG-CZ3 4.15Å; K109-D350 IonicContact NZ-OD1 3.59Å; K109-D350 PolarHBondContact NZ-OD1 3.45Å
110G97.1Very high96.4Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-58.9-42.517500000113.3D107 L113 S114 Y269D107-G110 PolarHBondContact O-N 2.98Å; D107-G110 PolarHBondContact OD1-N 3.26Å; D107-G110 WeakPolarHBondContact OD2-CA 3.4Å; G110-L113 PolarHBondContact O-N 2.91Å; G110-S114 VanDerWaalsContact O-CB 3.26Å; G110-S114 WeakPolarHBondContact O-CB 3.39Å; G110-S114 PolarHBondContact O-N 2.99Å; G110-S114 VanDerWaalsContact O-N 3.09Å; G110-S114 PolarHBondContact O-OG 3.07Å; G110-Y269 WeakPolarHBondContact CA-OH 3.38Å
111L97.6Very high96.4Very high3 Ų328.5 Ų28.52%0.01615%0.152CC..Hα-helixtrans-62.4-46.7176.2-75.7170.8000112.3V79 L106 D107 K109 L113 S114 A115 L120 V264V79-L111 HydrophobicContact CG2-CD2 4.48Å; L106-L111 HydrophobicContact CD1-CD1 3.95Å; L106-L111 HydrophobicContact CD2-CD1 4.37Å; L106-L111 HydrophobicContact CG-CD1 3.97Å; D107-L111 WeakPolarHBondContact O-CB 3.43Å; D107-L111 WeakPolarHBondContact O-CG 3.3Å; D107-L111 PolarHBondContact O-N 3.32Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 3.24Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.05Å; L111-S114 PolarHBondContact O-N 3.04Å; L111-S114 VanDerWaalsContact O-N 3.17Å; L111-A115 PolarHBondContact O-N 2.8Å; L111-L120 HydrophobicContact CB-CD1 4.44Å; L111-L120 HydrophobicContact CB-CD2 4.3Å; L111-L120 HydrophobicContact CD1-CD2 4.47Å; L111-V264 HydrophobicContact CD2-CG2 4.16Å; L111-V264 HydrophobicContact CG-CG2 4.11Å
112L96.4Very high96.4Very high15 Ų1529.5 Ų29.58%0.07915%0.153CC..Hα-helixtrans-75.3-16.6-179-80.9167.3000114.4P108 K109 K117 L120 W164 P166 A167 V170 V274P108-L112 WeakPolarHBondContact O-CB 3.14Å; P108-L112 PolarHBondContact O-N 3.34Å; P108-L112 VanDerWaalsContact O-N 3.12Å; K109-L112 PolarHBondContact O-N 3.21Å; L112-K117 HydrophobicContact CD2-CB 4.18Å; L112-L120 HydrophobicContact CD2-CD1 3.56Å; L112-L120 HydrophobicContact CG-CD1 3.78Å; L112-W164 HydrophobicContact CB-CH2 4.13Å; L112-W164 HydrophobicContact CB-CZ3 3.8Å; L112-W164 HydrophobicContact CD1-CE3 4.02Å; L112-W164 HydrophobicContact CD1-CH2 4.21Å; L112-W164 HydrophobicContact CD1-CZ3 3.4Å; L112-W164 HydrophobicContact CG-CZ3 4.22Å; L112-P166 HydrophobicContact CD1-CB 3.89Å; L112-A167 HydrophobicContact CD1-CB 4.14Å; L112-V170 HydrophobicContact CD1-CG2 4.28Å; L112-V170 HydrophobicContact CD2-CG2 4.04Å; L112-V274 HydrophobicContact CB-CG2 4.33Å
113L95.7Very high96.3Very high10 Ų1031.2 Ų31.25%0.05216%0.16CC..Hα-helixtrans-85.4-18.3169.2-67177.2000112.5K109 G110 L111 Y269 L270 C271 V274K109-L113 HydrophobicContact CG-CD1 4.03Å; K109-L113 HydrophobicContact CG-CG 4.47Å; K109-L113 WeakPolarHBondContact O-CB 3.2Å; K109-L113 VanDerWaalsContact O-CG 3.22Å; K109-L113 WeakPolarHBondContact O-CG 3.26Å; K109-L113 PolarHBondContact O-N 3.22Å; G110-L113 PolarHBondContact O-N 2.91Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.05Å; L113-Y269 HydrophobicContact CB-CD1 4.4Å; L113-Y269 HydrophobicContact CB-CD2 3.9Å; L113-Y269 HydrophobicContact CB-CE2 4.16Å; L113-Y269 HydrophobicContact CB-CG 4.03Å; L113-Y269 HydrophobicContact CD1-CD2 3.71Å; L113-Y269 HydrophobicContact CD1-CE2 3.42Å; L113-Y269 VanDerWaalsContact CD1-CE2 3.42Å; L113-Y269 HydrophobicContact CG-CD2 4.46Å; L113-Y269 HydrophobicContact CG-CE2 4.44Å; L113-L270 PolarHBondContact O-N 3.44Å; L113-C271 PolarHBondContact O-N 2.78Å; L113-V274 HydrophobicContact CD2-CG2 4.31Å
114S97.6Very high96.3Very high6 Ų631.6 Ų31.64%0.04216%0.161CC..Hα-helixtrans-108.5-17.1-175.5-52.60000114.1G110 L111 V264 F268 Y269 L270G110-S114 VanDerWaalsContact O-CB 3.26Å; G110-S114 WeakPolarHBondContact O-CB 3.39Å; G110-S114 PolarHBondContact O-N 2.99Å; G110-S114 VanDerWaalsContact O-N 3.09Å; G110-S114 PolarHBondContact O-OG 3.07Å; L111-S114 PolarHBondContact O-N 3.04Å; L111-S114 VanDerWaalsContact O-N 3.17Å; S114-V264 WeakPolarHBondContact OG-CG1 3.29Å; S114-F268 WeakPolarHBondContact CA-O 3.44Å; S114-F268 VanDerWaalsContact CB-O 3.3Å; S114-F268 WeakPolarHBondContact CB-O 3.49Å; S114-F268 PolarHBondContact OG-O 3.19Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.38Å; S114-L270 VanDerWaalsContact O-CD1 3.25Å; S114-L270 WeakPolarHBondContact O-CD1 3.36Å
115A96.3Very high96.5Very high8 Ų831 Ų317%0.06616%0.155CC..SBendtrans-145.2158.117900000111V79 I80 L111V79-A115 HydrophobicContact CG1-CB 4Å; I80-A115 HydrophobicContact CD1-CB 3.66Å; I80-A115 HydrophobicContact CG1-CB 3.85Å; L111-A115 PolarHBondContact O-N 2.8Å
116S94.9Very high96.7Very high47 Ų4729.9 Ų29.933%0.32915%0.145SC..  trans-72.6152.5179.479.10000111.4Q118 D119 L120S116-Q118 PolarHBondContact O-N 3.48Å; S116-Q118 PolarHBondContact OG-N 3.42Å; S116-D119 WeakPolarHBondContact CB-OD2 3.46Å; S116-D119 PolarHBondContact N-OD2 3.21Å; S116-D119 PolarHBondContact O-N 2.64Å; S116-D119 VanDerWaalsContact O-N 3.11Å; S116-D119 PolarHBondContact OG-N 3.27Å; S116-D119 PolarHBondContact OG-OD2 2.75Å; S116-L120 PolarHBondContact O-N 3.11Å
117K94.3Very high96.8Very high81 Ų8130.2 Ų30.235%0.35215%0.147SC..Hα-helixtrans-53.3-36.7168.4174.5164.776.4173.20111.5L112 L120 I121 E169 V170L112-K117 HydrophobicContact CD2-CB 4.18Å; K117-L120 PolarHBondContact O-N 3.21Å; K117-I121 HydrophobicContact CD-CD1 4.39Å; K117-I121 HydrophobicContact CG-CD1 3.76Å; K117-I121 HydrophobicContact CG-CG1 4.47Å; K117-I121 VanDerWaalsContact O-CG1 3.29Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.17Å; K117-I121 VanDerWaalsContact O-N 3.09Å; K117-E169 IonicContact NZ-OE2 3.06Å; K117-V170 HydrophobicContact CD-CG2 4.07Å; K117-V170 HydrophobicContact CG-CG2 3.86Å
118Q95.3Very high96.8Very high157 Ų15729.8 Ų29.873%0.73415%0.146SC*.Hα-helixtrans-65.7-40179.4-69.4177.9-18.400111.8S116 I121 R122S116-Q118 PolarHBondContact O-N 3.48Å; S116-Q118 PolarHBondContact OG-N 3.42Å; Q118-I121 PolarHBondContact O-N 2.91Å; Q118-R122 WeakPolarHBondContact O-CB 3.48Å; Q118-R122 PolarHBondContact O-N 2.78Å
119D97.1Very high96.9Very high42 Ų4230.4 Ų30.423%0.22515%0.148CC..Hα-helixtrans-66.6-39.9177.6-64.2-49.9000112.1P77 I80 S116 I121 R122 K123P77-D119 HydrophobicContact CG-CB 4.1Å; I80-D119 HydrophobicContact CD1-CB 3.66Å; S116-D119 WeakPolarHBondContact CB-OD2 3.46Å; S116-D119 PolarHBondContact N-OD2 3.21Å; S116-D119 PolarHBondContact O-N 2.64Å; S116-D119 VanDerWaalsContact O-N 3.11Å; S116-D119 PolarHBondContact OG-N 3.27Å; S116-D119 PolarHBondContact OG-OD2 2.75Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 2.85Å; D119-R122 PolarHBondContact O-N 2.66Å; D119-K123 WeakPolarHBondContact O-CB 3.25Å; D119-K123 PolarHBondContact O-N 2.77Å
120L97.4Very high97Very high6 Ų629.1 Ų29.13%0.03115%0.145CC..Hα-helixtrans-63.6-40.3175.7-70.4169.8000111.9I80 L111 L112 S116 K117 R124 V170I80-L120 HydrophobicContact CD1-CD2 3.67Å; I80-L120 HydrophobicContact CD1-CG 4Å; I80-L120 HydrophobicContact CG1-CD2 3.87Å; L111-L120 HydrophobicContact CB-CD1 4.44Å; L111-L120 HydrophobicContact CB-CD2 4.3Å; L111-L120 HydrophobicContact CD1-CD2 4.47Å; L112-L120 HydrophobicContact CD2-CD1 3.56Å; L112-L120 HydrophobicContact CG-CD1 3.78Å; S116-L120 PolarHBondContact O-N 3.11Å; K117-L120 PolarHBondContact O-N 3.21Å; L120-R124 WeakPolarHBondContact O-CD 3.09Å; L120-R124 WeakPolarHBondContact O-CG 3.32Å; L120-R124 PolarHBondContact O-N 2.88Å; L120-R124 PolarHBondContact O-NH1 2.86Å; L120-V170 HydrophobicContact CB-CG1 4.15Å; L120-V170 HydrophobicContact CD1-CG2 4.47Å
121I97.6Very high97Very high10 Ų1029.8 Ų29.85%0.05115%0.148CC..Hα-helixtrans-69.2-45.2175.2-67.5168.3000110.2K117 Q118 D119 K123 R124 I125 V170 Q173 I177K117-I121 HydrophobicContact CD-CD1 4.39Å; K117-I121 HydrophobicContact CG-CD1 3.76Å; K117-I121 HydrophobicContact CG-CG1 4.47Å; K117-I121 VanDerWaalsContact O-CG1 3.29Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.17Å; K117-I121 VanDerWaalsContact O-N 3.09Å; Q118-I121 PolarHBondContact O-N 2.91Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 2.85Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.05Å; I121-R124 WeakPolarHBondContact O-CA 3.43Å; I121-R124 WeakPolarHBondContact O-CB 3.21Å; I121-R124 PolarHBondContact O-N 3.04Å; I121-I125 HydrophobicContact CG2-CD1 3.88Å; I121-I125 HydrophobicContact CG2-CG1 4.35Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 2.98Å; I121-V170 HydrophobicContact CG1-CG1 4.06Å; I121-Q173 HydrophobicContact CD1-CB 4.04Å; I121-Q173 HydrophobicContact CD1-CG 3.88Å; I121-I177 HydrophobicContact CG2-CD1 3.49Å; I121-I177 VanDerWaalsContact CG2-CD1 3.49Å
122R97.9Very high97Very high38 Ų3831.3 Ų31.314%0.14316%0.156CC..Hα-helixtrans-59.9-39178.2-170.8174-174.574.24.8111.8Q66 I71 W74 Q118 D119 R124 I125 K126Q66-R122 PolarHBondContact O-NH1 2.78Å; Q66-R122 PolarHBondContact O-NH2 2.82Å; I71-R122 HydrophobicContact CD1-CG 4.07Å; I71-R122 HydrophobicContact CG1-CG 4.48Å; W74-R122 HydrophobicContact CD2-CG 4.33Å; W74-R122 HydrophobicContact CE3-CG 4.08Å; W74-R122 HydrophobicContact CH2-CB 4.01Å; W74-R122 HydrophobicContact CH2-CG 3.93Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.19Å; W74-R122 HydrophobicContact CZ3-CB 4.24Å; W74-R122 HydrophobicContact CZ3-CG 3.88Å; Q118-R122 WeakPolarHBondContact O-CB 3.48Å; Q118-R122 PolarHBondContact O-N 2.78Å; D119-R122 PolarHBondContact O-N 2.66Å; R122-R124 VanDerWaalsContact C-N 3.34Å; R122-R124 PolarHBondContact O-N 2.56Å; R122-I125 PolarHBondContact O-N 3.41Å; R122-K126 WeakPolarHBondContact O-CB 3.29Å; R122-K126 PolarHBondContact O-N 2.95Å
123K97.6Very high96.9Very high43 Ų4334.7 Ų34.719%0.18717%0.171CC..Hα-helixtrans-59.5-41.9171.2172.859.7176.2174.10112.2W74 P76 I80 D119 I121 K126 V127W74-K123 HydrophobicContact CZ3-CB 4.41Å; P76-K123 HydrophobicContact CB-CD 4.49Å; P76-K123 HydrophobicContact CG-CD 3.74Å; I80-K123 HydrophobicContact CG2-CB 4.02Å; I80-K123 HydrophobicContact CG2-CD 4.29Å; I80-K123 HydrophobicContact CG2-CG 3.75Å; D119-K123 WeakPolarHBondContact O-CB 3.25Å; D119-K123 PolarHBondContact O-N 2.77Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.05Å; K123-K126 WeakPolarHBondContact O-CB 3.46Å; K123-K126 PolarHBondContact O-N 3.4Å; K123-V127 WeakPolarHBondContact O-CG2 3.48Å; K123-V127 PolarHBondContact O-N 3.2Å
124R97.3Very high97Very high23 Ų2335.7 Ų35.79%0.08718%0.176CC..Hα-helixtrans-70.1-37.8178.2-68.2157.8175.756.710111.9D84 L120 I121 R122 K126 V127 C128 Y171 F174D84-R124 IonicContact OD1-CZ 2.85Å; D84-R124 IonicContact OD1-NH1 3.72Å; D84-R124 IonicContact OD1-NH2 2.75Å; D84-R124 PolarHBondContact OD1-NH2 2.84Å; D84-R124 IonicContact OD2-CZ 3.17Å; D84-R124 IonicContact OD2-NH1 2.76Å; D84-R124 PolarHBondContact OD2-NH1 3.35Å; D84-R124 VanDerWaalsContact OD2-NH1 3.1Å; D84-R124 IonicContact OD2-NH2 2.91Å; L120-R124 WeakPolarHBondContact O-CD 3.09Å; L120-R124 WeakPolarHBondContact O-CG 3.32Å; L120-R124 PolarHBondContact O-N 2.88Å; L120-R124 PolarHBondContact O-NH1 2.86Å; I121-R124 WeakPolarHBondContact O-CA 3.43Å; I121-R124 WeakPolarHBondContact O-CB 3.21Å; I121-R124 PolarHBondContact O-N 3.04Å; R122-R124 VanDerWaalsContact C-N 3.34Å; R122-R124 PolarHBondContact O-N 2.56Å; R124-K126 VanDerWaalsContact C-N 3.35Å; R124-V127 WeakPolarHBondContact O-CB 3.33Å; R124-V127 PolarHBondContact O-N 3.16Å; R124-C128 PolarHBondContact O-N 3.49Å; R124-C128 VanDerWaalsContact O-N 3.13Å; R124-C128 PolarHBondContact O-SG 2.91Å; R124-Y171 PolarHBondContact NH2-OH 2.99Å; R124-Y171 VanDerWaalsContact NH2-OH 3.16Å; R124-F174 HydrophobicContact CB-CD2 3.45Å; R124-F174 VanDerWaalsContact CB-CD2 3.45Å; R124-F174 HydrophobicContact CB-CE2 3.51Å; R124-F174 HydrophobicContact CB-CG 4.02Å; R124-F174 HydrophobicContact CB-CZ 4.09Å; R124-F174 HydrophobicContact CG-CD2 4.35Å; R124-F174 HydrophobicContact CG-CG 4.45Å
125I98.3Very high97.1Very high1 Ų135.6 Ų35.61%0.00518%0.175CC..Hα-helixtrans-61.5-44.2170.5-62.5165.5000110.5F62 Q66 L68 I71 I121 R122 V127 C128 E129 I177 Y182F62-I125 HydrophobicContact CE1-CG2 4.37Å; F62-I125 HydrophobicContact CE2-CD1 4.17Å; F62-I125 HydrophobicContact CZ-CD1 3.73Å; F62-I125 HydrophobicContact CZ-CG1 4.15Å; F62-I125 HydrophobicContact CZ-CG2 4.13Å; Q66-I125 HydrophobicContact CG-CD1 4.27Å; L68-I125 HydrophobicContact CD2-CG2 3.43Å; L68-I125 VanDerWaalsContact CD2-CG2 3.43Å; I71-I125 HydrophobicContact CD1-CB 4.03Å; I71-I125 HydrophobicContact CD1-CG2 3.65Å; I121-I125 HydrophobicContact CG2-CD1 3.88Å; I121-I125 HydrophobicContact CG2-CG1 4.35Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 2.98Å; R122-I125 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact C-N 3.25Å; I125-V127 PolarHBondContact O-N 2.74Å; I125-C128 WeakPolarHBondContact O-CB 3.45Å; I125-C128 PolarHBondContact O-N 2.95Å; I125-E129 PolarHBondContact O-N 2.83Å; I125-E129 VanDerWaalsContact O-N 3.08Å; I125-I177 HydrophobicContact CD1-CD1 4.34Å; I125-I177 HydrophobicContact CD1-CG2 4.36Å; I125-I177 HydrophobicContact CG1-CG2 4.07Å; I125-Y182 WeakPolarHBondContact CG2-OH 3.3Å
126K98Very high97.1Very high16 Ų1639 Ų397%0.0719%0.19CC..Hα-helixtrans-55.9-41.4173.9179.2176.3179165.60111.5I71 V72 W74 R122 K123 R124 C128 E129 L130I71-K126 HydrophobicContact CD1-CB 4.14Å; I71-K126 HydrophobicContact CG1-CB 4.01Å; I71-K126 WeakPolarHBondContact O-CD 3.38Å; V72-K126 WeakPolarHBondContact O-CE 3.44Å; V72-K126 PolarHBondContact O-NZ 3.45Å; W74-K126 HydrophobicContact CE3-CD 4.12Å; W74-K126 PolarHBondContact O-NZ 3.28Å; R122-K126 WeakPolarHBondContact O-CB 3.29Å; R122-K126 PolarHBondContact O-N 2.95Å; K123-K126 WeakPolarHBondContact O-CB 3.46Å; K123-K126 PolarHBondContact O-N 3.4Å; R124-K126 VanDerWaalsContact C-N 3.35Å; K126-C128 VanDerWaalsContact C-N 3.33Å; K126-C128 PolarHBondContact O-N 3.27Å; K126-E129 PolarHBondContact O-N 3.17Å; K126-L130 HydrophobicContact CG-CD1 4.08Å; K126-L130 HydrophobicContact CG-CG 4.33Å; K126-L130 WeakPolarHBondContact O-CB 3.25Å; K126-L130 VanDerWaalsContact O-CG 3.3Å; K126-L130 WeakPolarHBondContact O-CG 3.32Å; K126-L130 PolarHBondContact O-N 2.97Å
127V97.9Very high97.2Very high13 Ų1340 Ų408%0.07919%0.191CC..Hα-helixtrans-61.3-41.2175.6168.70000111.4Y99 K123 R124 I125 L130 L131Y99-V127 HydrophobicContact CD1-CG1 4.37Å; Y99-V127 HydrophobicContact CD2-CG1 3.62Å; Y99-V127 HydrophobicContact CE1-CG1 4.17Å; Y99-V127 HydrophobicContact CE2-CB 4.28Å; Y99-V127 HydrophobicContact CE2-CG1 3.36Å; Y99-V127 HydrophobicContact CE2-CG2 3.88Å; Y99-V127 HydrophobicContact CG-CG1 4.12Å; K123-V127 WeakPolarHBondContact O-CG2 3.48Å; K123-V127 PolarHBondContact O-N 3.2Å; R124-V127 WeakPolarHBondContact O-CB 3.33Å; R124-V127 PolarHBondContact O-N 3.16Å; I125-V127 VanDerWaalsContact C-N 3.25Å; I125-V127 PolarHBondContact O-N 2.74Å; V127-L130 PolarHBondContact O-N 3.11Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 HydrophobicContact CG1-CG 4.44Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.09Å
128C97.8Very high97.3Very high14 Ų1436.5 Ų36.510%0.09518%0.176CC..Hα-helixtrans-60.2-47.3175-62.10000112.1R124 I125 K126 L130 L131 L132 Y182R124-C128 PolarHBondContact O-N 3.49Å; R124-C128 VanDerWaalsContact O-N 3.13Å; R124-C128 PolarHBondContact O-SG 2.91Å; I125-C128 WeakPolarHBondContact O-CB 3.45Å; I125-C128 PolarHBondContact O-N 2.95Å; K126-C128 VanDerWaalsContact C-N 3.33Å; K126-C128 PolarHBondContact O-N 3.27Å; C128-L130 PolarHBondContact O-N 3.31Å; C128-L131 PolarHBondContact O-N 3.5Å; C128-L132 WeakPolarHBondContact O-CG 3.45Å; C128-L132 PolarHBondContact O-N 2.83Å; C128-Y182 HydrophobicContact CB-CD1 3.84Å; C128-Y182 HydrophobicContact CB-CD2 4.15Å; C128-Y182 HydrophobicContact CB-CE1 3.51Å; C128-Y182 HydrophobicContact CB-CE2 3.83Å; C128-Y182 HydrophobicContact CB-CG 4.15Å
129E97.5Very high97.5Very high21 Ų2130.6 Ų30.610%0.09815%0.15CC..Hα-helixtrans-64.9-37.5176.8-62.9-62.1127.900112.2R63 L68 I71 V72 I125 K126 L131 L132 H133 Y182R63-E129 IonicContact NH1-OE2 2.66Å; L68-E129 HydrophobicContact CD2-CG 4.5Å; I71-E129 HydrophobicContact CG2-CB 4.01Å; I71-E129 HydrophobicContact CG2-CG 3.63Å; V72-E129 HydrophobicContact CG2-CB 4.26Å; I125-E129 PolarHBondContact O-N 2.83Å; I125-E129 VanDerWaalsContact O-N 3.08Å; K126-E129 PolarHBondContact O-N 3.17Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.3Å; E129-L132 PolarHBondContact O-N 3.09Å; E129-H133 WeakPolarHBondContact O-CB 3.26Å; E129-H133 PolarHBondContact O-N 3.44Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.34Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.26Å; E129-Y182 PolarHBondContact OE1-OH 3.41Å
130L97.3Very high97.5Very high57 Ų5735.9 Ų35.930%0.29817%0.174SC..Hα-helixtrans-62.2-40.9174.6-76.1171.9000112V72 K126 V127 C128 H133 E134V72-L130 HydrophobicContact CG1-CD2 3.92Å; V72-L130 HydrophobicContact CG2-CD2 4.49Å; K126-L130 HydrophobicContact CG-CD1 4.08Å; K126-L130 HydrophobicContact CG-CG 4.33Å; K126-L130 WeakPolarHBondContact O-CB 3.25Å; K126-L130 VanDerWaalsContact O-CG 3.3Å; K126-L130 WeakPolarHBondContact O-CG 3.32Å; K126-L130 PolarHBondContact O-N 2.97Å; V127-L130 PolarHBondContact O-N 3.11Å; C128-L130 PolarHBondContact O-N 3.31Å; L130-H133 PolarHBondContact O-N 2.88Å; L130-E134 WeakPolarHBondContact O-CB 3.14Å; L130-E134 PolarHBondContact O-N 3.36Å
131L97.9Very high97.5Very high14 Ų1442.8 Ų42.87%0.07320%0.204CC..Hα-helixtrans-67.2-39176.7-71.5169.4000111.9L88 P97 Y99 V127 C128 E129 E134 C135 A149L88-L131 HydrophobicContact CD1-CD2 3.77Å; L88-L131 HydrophobicContact CG-CD2 4.32Å; P97-L131 HydrophobicContact CB-CD2 4.02Å; P97-L131 HydrophobicContact CG-CD2 4.08Å; Y99-L131 HydrophobicContact CD2-CD2 4.46Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 HydrophobicContact CG1-CG 4.44Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.09Å; C128-L131 PolarHBondContact O-N 3.5Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.3Å; L131-E134 PolarHBondContact O-N 3.45Å; L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 3Å; L131-C135 PolarHBondContact O-SG 2.91Å; L131-A149 HydrophobicContact CB-CB 4.19Å; L131-A149 HydrophobicContact CD1-CB 4.09Å; L131-A149 HydrophobicContact CD2-CB 4.1Å; L131-A149 HydrophobicContact CG-CB 4.36Å
132L96.3Very high97.5Very high36 Ų3646 Ų4619%0.18822%0.221CC..Hα-helixtrans-64.3-42.8173.6-70-179.4000111.8C128 E129 E134 C135 E136 Y182 T185C128-L132 WeakPolarHBondContact O-CG 3.45Å; C128-L132 PolarHBondContact O-N 2.83Å; E129-L132 PolarHBondContact O-N 3.09Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 3Å; L132-C135 VanDerWaalsContact O-CB 3.3Å; L132-C135 WeakPolarHBondContact O-CB 3.49Å; L132-C135 PolarHBondContact O-N 3.28Å; L132-E136 WeakPolarHBondContact O-CG 3.23Å; L132-E136 PolarHBondContact O-N 3.37Å; L132-Y182 HydrophobicContact CD1-CD1 3.95Å; L132-Y182 HydrophobicContact CD1-CE1 3.92Å; L132-T185 HydrophobicContact CD2-CG2 3.92Å
133H95.9Very high97.4Very high85 Ų8547.7 Ų47.739%0.39425%0.25SC..Hα-helixtrans-61.5-42.7175-17657.3000111.6E129 L130 C135 E136 L137E129-H133 WeakPolarHBondContact O-CB 3.26Å; E129-H133 PolarHBondContact O-N 3.44Å; L130-H133 PolarHBondContact O-N 2.88Å; H133-C135 VanDerWaalsContact C-N 3.32Å; H133-C135 PolarHBondContact O-N 3.35Å; H133-E136 IonicContact ND1-OE2 3.87Å; H133-E136 WeakPolarHBondContact O-CB 3.42Å; H133-E136 PolarHBondContact O-N 3.35Å; H133-E136 VanDerWaalsContact O-N 3.08Å; H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 2.87Å
134E97.8Very high97.3Very high31 Ų3150.7 Ų50.715%0.14526%0.26CS..Hα-helixtrans-64.3-37.7176.9-168.860.6-133.400112.2L88 Y91 P97 L130 L131 L132 E136 L137 Q138L88-E134 HydrophobicContact CD1-CB 4.04Å; L88-E134 HydrophobicContact CD1-CG 4.02Å; L88-E134 HydrophobicContact CD2-CG 4.49Å; Y91-E134 HydrophobicContact CE1-CG 3.7Å; Y91-E134 VanDerWaalsContact CE1-OE1 3.25Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.42Å; Y91-E134 VanDerWaalsContact CZ-OE1 3.26Å; Y91-E134 PolarHBondContact OH-OE1 2.87Å; P97-E134 HydrophobicContact CB-CB 4.11Å; P97-E134 HydrophobicContact CB-CG 3.67Å; P97-E134 HydrophobicContact CG-CB 4.18Å; P97-E134 HydrophobicContact CG-CG 4.17Å; L130-E134 WeakPolarHBondContact O-CB 3.14Å; L130-E134 PolarHBondContact O-N 3.36Å; L131-E134 PolarHBondContact O-N 3.45Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 3Å; E134-E136 VanDerWaalsContact C-N 3.31Å; E134-E136 PolarHBondContact O-N 3.47Å; E134-L137 PolarHBondContact O-N 3.36Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.28Å; E134-Q138 PolarHBondContact O-N 3.46Å
135C97.9Very high97.2Very high4 Ų452.3 Ų52.33%0.02727%0.268CS..Hα-helixtrans-58.9-39.4170.4-77.10000112.3P97 L131 L132 H133 T139 I146P97-C135 VanDerWaalsContact CD-SG 3.5Å; L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 3Å; L131-C135 PolarHBondContact O-SG 2.91Å; L132-C135 VanDerWaalsContact O-CB 3.3Å; L132-C135 WeakPolarHBondContact O-CB 3.49Å; L132-C135 PolarHBondContact O-N 3.28Å; H133-C135 VanDerWaalsContact C-N 3.32Å; H133-C135 PolarHBondContact O-N 3.35Å; C135-T139 WeakPolarHBondContact O-CB 3.38Å; C135-T139 PolarHBondContact O-N 2.79Å; C135-T139 PolarHBondContact O-OG1 3.41Å; C135-I146 HydrophobicContact CB-CG2 4.18Å; C135-I146 WeakPolarHBondContact CB-O 3.42Å
136E96.1Very high97.2Very high81 Ų8152.7 Ų52.738%0.37927%0.269SS..Hα-helixtrans-66.6-44.2175.8-68.6173.3171.900112L132 H133 E134 Q138 T139 Q140L132-E136 WeakPolarHBondContact O-CG 3.23Å; L132-E136 PolarHBondContact O-N 3.37Å; H133-E136 IonicContact ND1-OE2 3.87Å; H133-E136 WeakPolarHBondContact O-CB 3.42Å; H133-E136 PolarHBondContact O-N 3.35Å; H133-E136 VanDerWaalsContact O-N 3.08Å; E134-E136 VanDerWaalsContact C-N 3.31Å; E134-E136 PolarHBondContact O-N 3.47Å; E136-Q138 VanDerWaalsContact C-N 3.34Å; E136-Q138 PolarHBondContact O-N 2.99Å; E136-T139 WeakPolarHBondContact O-CB 3.37Å; E136-T139 PolarHBondContact O-N 3.1Å; E136-Q140 WeakPolarHBondContact O-CG 3.43Å; E136-Q140 PolarHBondContact O-N 3.45Å
137L97.3Very high97.1Very high68 Ų6853.6 Ų53.636%0.35627%0.274SS..Hα-helixtrans-60.7-44.8175.8-65.8178.1000111.3H133 E134 T139 Q140 K141H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3.36Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 3.17Å; L137-Q140 PolarHBondContact O-N 3.22Å; L137-K141 WeakPolarHBondContact O-CB 3.39Å; L137-K141 PolarHBondContact O-N 3.32Å
138Q98.1Very high97Very high7 Ų754.9 Ų54.93%0.03328%0.28CS..Hα-helixtrans-66.2-34.4176.3-74.2-75.6104.100112.2Y91 G95 E134 E136 K141 L142 I146Y91-Q138 VanDerWaalsContact CD1-CD 3.46Å; Y91-Q138 HydrophobicContact CD1-CG 3.63Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.32Å; Y91-Q138 HydrophobicContact CE1-CG 3.32Å; G95-Q138 WeakPolarHBondContact O-CG 3.23Å; G95-Q138 PolarHBondContact O-NE2 3.21Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.28Å; E134-Q138 PolarHBondContact O-N 3.46Å; E136-Q138 VanDerWaalsContact C-N 3.34Å; E136-Q138 PolarHBondContact O-N 2.99Å; Q138-K141 PolarHBondContact O-N 3.11Å; Q138-L142 VanDerWaalsContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CB 3.43Å; Q138-L142 WeakPolarHBondContact O-CG 3.37Å; Q138-L142 PolarHBondContact O-N 3.39Å; Q138-I146 HydrophobicContact CB-CB 4.26Å; Q138-I146 HydrophobicContact CB-CG1 4.03Å; Q138-I146 HydrophobicContact CB-CG2 4.36Å
139T97.6Very high97.1Very high32 Ų3254.7 Ų54.720%0.19628%0.279CS..Hα-helixtrans-59.9-47.4173.3-65.10000111.4C135 E136 L137 G143 R144 K145 I146C135-T139 WeakPolarHBondContact O-CB 3.38Å; C135-T139 PolarHBondContact O-N 2.79Å; C135-T139 PolarHBondContact O-OG1 3.41Å; E136-T139 WeakPolarHBondContact O-CB 3.37Å; E136-T139 PolarHBondContact O-N 3.1Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 3.17Å; T139-G143 PolarHBondContact O-N 3.22Å; T139-R144 VanDerWaalsContact CA-O 3.26Å; T139-R144 WeakPolarHBondContact CA-O 3.21Å; T139-R144 PolarHBondContact O-N 3.35Å; T139-K145 HydrophobicContact CG2-CD 4.35Å; T139-I146 PolarHBondContact OG1-N 2.88Å; T139-I146 PolarHBondContact OG1-O 3.39Å; T139-I146 VanDerWaalsContact OG1-O 3.11Å
140Q97.2Very high97.1Very high153 Ų15353.7 Ų53.772%0.71527%0.274SS*.Hα-helixtrans-64.5-44.9178.5-66.9172.717.700111.4E136 L137E136-Q140 WeakPolarHBondContact O-CG 3.43Å; E136-Q140 PolarHBondContact O-N 3.45Å; L137-Q140 PolarHBondContact O-N 3.22Å
141K98.1Very high97.2Very high152 Ų15252 Ų5266%0.66127%0.265SS*.Hα-helixtrans-64.5-40-178.8-177.4-177.3174.9-174.70113.1L137 Q138L137-K141 WeakPolarHBondContact O-CB 3.39Å; L137-K141 PolarHBondContact O-N 3.32Å; Q138-K141 PolarHBondContact O-N 3.11Å
142L97.7Very high97.2Very high77 Ų7751.3 Ų51.340%0.40326%0.261SS..Hα-helixtrans-96.1-9.3-173.8-60.6176.1000113.4Q138 R144 I146Q138-L142 VanDerWaalsContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CB 3.43Å; Q138-L142 WeakPolarHBondContact O-CG 3.37Å; Q138-L142 PolarHBondContact O-N 3.39Å; L142-R144 HydrophobicContact CB-CG 4.08Å; L142-R144 PolarHBondContact O-N 2.99Å; L142-I146 HydrophobicContact CD1-CD1 4.31Å; L142-I146 HydrophobicContact CD1-CG1 4.29Å
143G96.6Very high97.3Very high73 Ų7350.5 Ų50.575%0.75326%0.256SS*.THydrogen-bonded Turntrans6718.2-178.200000114.2T139T139-G143 PolarHBondContact O-N 3.22Å
144R95.1Very high97.4Very high107 Ų10746.7 Ų46.740%0.40424%0.239SC..SBendtrans-142149.5178.568.8179.4-177.4117.9-22.8110.4E94 T139 L142 I146E94-R144 VanDerWaalsContact C-NH2 3.27Å; E94-R144 PolarHBondContact O-NH2 3.43Å; E94-R144 IonicContact OE1-NH1 2.68Å; T139-R144 VanDerWaalsContact CA-O 3.26Å; T139-R144 WeakPolarHBondContact CA-O 3.21Å; T139-R144 PolarHBondContact O-N 3.35Å; L142-R144 HydrophobicContact CB-CG 4.08Å; L142-R144 PolarHBondContact O-N 2.99Å; R144-I146 HydrophobicContact CG-CD1 4.37Å; R144-I146 PolarHBondContact O-N 3.44Å
145K95.7Very high97.5Very high57 Ų5746 Ų4625%0.24824%0.236CC..  trans-63.8124.8-177.9-169.880.1175.1-173.30111.5D34 Y36 T139 E147D34-K145 IonicContact OD1-NZ 3.91Å; D34-K145 IonicContact OD2-NZ 2.74Å; D34-K145 PolarHBondContact OD2-NZ 3.39Å; Y36-K145 HydrophobicContact CD1-CB 4.11Å; Y36-K145 HydrophobicContact CD1-CD 3.97Å; Y36-K145 HydrophobicContact CD1-CG 3.53Å; Y36-K145 HydrophobicContact CD2-CD 3.79Å; Y36-K145 HydrophobicContact CD2-CG 4.25Å; Y36-K145 HydrophobicContact CE1-CB 3.6Å; Y36-K145 HydrophobicContact CE1-CD 4.2Å; Y36-K145 HydrophobicContact CE1-CG 3.58Å; Y36-K145 HydrophobicContact CE2-CB 4.38Å; Y36-K145 HydrophobicContact CE2-CD 4.07Å; Y36-K145 HydrophobicContact CE2-CG 4.32Å; Y36-K145 HydrophobicContact CG-CD 3.74Å; Y36-K145 HydrophobicContact CG-CG 3.86Å; T139-K145 HydrophobicContact CG2-CD 4.35Å; K145-E147 HydrophobicContact CG-CB 4.33Å
146I97.6Very high97.4Very high8 Ų851 Ų514%0.04126%0.259CS..  trans-114.2125.5163.9-53-57.6000106.4E94 C135 Q138 T139 L142 R144E94-I146 WeakPolarHBondContact O-CD1 3.48Å; C135-I146 HydrophobicContact CB-CG2 4.18Å; C135-I146 WeakPolarHBondContact CB-O 3.42Å; Q138-I146 HydrophobicContact CB-CB 4.26Å; Q138-I146 HydrophobicContact CB-CG1 4.03Å; Q138-I146 HydrophobicContact CB-CG2 4.36Å; T139-I146 PolarHBondContact OG1-N 2.88Å; T139-I146 PolarHBondContact OG1-O 3.39Å; T139-I146 VanDerWaalsContact OG1-O 3.11Å; L142-I146 HydrophobicContact CD1-CD1 4.31Å; L142-I146 HydrophobicContact CD1-CG1 4.29Å; R144-I146 HydrophobicContact CG-CD1 4.37Å; R144-I146 PolarHBondContact O-N 3.44Å
147E95.3Very high97.5Very high35 Ų3549.4 Ų49.416%0.16426%0.264CS..  trans-143.21.6-17667.3-177.7162.900113.8K145K145-E147 HydrophobicContact CG-CB 4.33Å
148M97.1Very high97.5Very high41 Ų4146.8 Ų46.820%0.20225%0.25CS..  trans-125.7147.2179.7-60.3-178.7-75.500110.9S96 T185 K187S96-M148 WeakPolarHBondContact CB-O 3.42Å; S96-M148 PolarHBondContact OG-O 2.78Å; M148-T185 CarbonylContact C-O 3.58Å; M148-T185 WeakPolarHBondContact CA-O 3.24Å; M148-K187 HydrophobicContact CB-CB 3.83Å
149A98.2Very high97.4Very high9 Ų948.7 Ų48.77%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-114.4153.3177.700000111.6P97 L131 T185 K187P97-A149 HydrophobicContact CG-CB 4.05Å; P97-A149 WeakPolarHBondContact O-CA 3.37Å; L131-A149 HydrophobicContact CB-CB 4.19Å; L131-A149 HydrophobicContact CD1-CB 4.09Å; L131-A149 HydrophobicContact CD2-CB 4.1Å; L131-A149 HydrophobicContact CG-CB 4.36Å; A149-T185 PolarHBondContact N-O 3.28Å; A149-K187 WeakPolarHBondContact O-CB 3.38Å; A149-K187 PolarHBondContact O-N 3.4Å
150L98.4Very high97.4Very high1 Ų149.5 Ų49.51%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-102.2134.4173.4-173.5151.9000109.3D92 P97 V98 Y99 V152 N188 I190 F231 I232D92-L150 HydrophobicContact CB-CD1 4.48Å; P97-L150 PolarHBondContact O-N 3.35Å; V98-L150 CarbonylContact C-O 3.52Å; V98-L150 WeakPolarHBondContact CA-O 3.44Å; V98-L150 HydrophobicContact CG1-CD2 3.83Å; V98-L150 HydrophobicContact CG2-CB 4.3Å; V98-L150 HydrophobicContact CG2-CD2 4.26Å; Y99-L150 PolarHBondContact N-O 2.92Å; L150-V152 HydrophobicContact CD2-CG2 3.51Å; L150-N188 HydrophobicContact CD1-CB 4.41Å; L150-N188 HydrophobicContact CG-CB 4.38Å; L150-I190 HydrophobicContact CD1-CD1 3.97Å; L150-I190 HydrophobicContact CD2-CD1 3.99Å; L150-I190 HydrophobicContact CD2-CG1 4.39Å; L150-I190 HydrophobicContact CG-CD1 4.26Å; L150-F231 HydrophobicContact CD1-CB 4.02Å; L150-F231 HydrophobicContact CD1-CD1 4.37Å; L150-I232 HydrophobicContact CD2-CD1 4.14Å
151M98.4Very high97.2Very high21 Ų2146.7 Ų46.710%0.10325%0.253CS..EExtended strand (participates in β ladder)trans-113.9129.1176.4-59.3-165.476.900110.5Y99 F153 L186 N188 L189 I190Y99-M151 HydrophobicContact CD1-CE 4.13Å; Y99-M151 CarbonylContact O-C 3.49Å; Y99-M151 WeakPolarHBondContact O-CA 3.49Å; M151-F153 HydrophobicContact CB-CD2 4.19Å; M151-F153 HydrophobicContact CB-CE2 3.81Å; M151-F153 HydrophobicContact CE-CE2 3.91Å; M151-F153 HydrophobicContact CE-CZ 4.05Å; M151-F153 HydrophobicContact SD-CE2 4.14Å; M151-L186 HydrophobicContact CB-CD1 4.42Å; M151-L186 HydrophobicContact CG-CD1 3.93Å; M151-L186 HydrophobicContact SD-CD1 4.31Å; M151-N188 PolarHBondContact N-O 3.14Å; M151-L189 HydrophobicContact CB-CG 4.42Å; M151-L189 CarbonylContact O-C 3.44Å; M151-L189 WeakPolarHBondContact O-CA 3.32Å; M151-I190 PolarHBondContact O-N 3.48Å
152V98.8Very high97.2Very high0 Ų040.4 Ų40.40%023%0.226CC..EExtended strand (participates in β ladder)trans-109.3113.4173.4-176.30000108.7V98 Y99 F100 C101 L150 I190 I192 L228 I232V98-V152 HydrophobicContact CG1-CG2 3.93Å; Y99-V152 PolarHBondContact O-N 3.28Å; F100-V152 CarbonylContact C-O 3.53Å; F100-V152 WeakPolarHBondContact CA-O 3.46Å; F100-V152 HydrophobicContact CD1-CB 3.76Å; F100-V152 HydrophobicContact CD1-CG1 3.92Å; F100-V152 HydrophobicContact CD1-CG2 4.38Å; F100-V152 HydrophobicContact CE1-CB 3.82Å; F100-V152 HydrophobicContact CE1-CG1 3.85Å; F100-V152 HydrophobicContact CE1-CG2 4Å; F100-V152 HydrophobicContact CG-CB 4.39Å; F100-V152 HydrophobicContact CZ-CB 4.48Å; F100-V152 HydrophobicContact CZ-CG2 4.24Å; C101-V152 PolarHBondContact N-O 2.91Å; L150-V152 HydrophobicContact CD2-CG2 3.51Å; V152-I190 CarbonylContact C-O 3.57Å; V152-I190 WeakPolarHBondContact CA-O 3.45Å; V152-I192 HydrophobicContact CG1-CD1 4.01Å; V152-I192 HydrophobicContact CG1-CG1 4.33Å; V152-I192 HydrophobicContact CG1-CG2 4.48Å; V152-L228 HydrophobicContact CG1-CD2 4.44Å; V152-L228 HydrophobicContact CG2-CD1 4.12Å; V152-I232 HydrophobicContact CG2-CD1 4.23Å
153F98.6Very high97.1Very high18 Ų1836.9 Ų36.98%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-98.6109.4174.7-77.5-105.4000109.5C101 I103 M151 M155 L189 I190 I191 I192C101-F153 HydrophobicContact CB-CD1 3.67Å; C101-F153 HydrophobicContact CB-CD2 4.39Å; C101-F153 HydrophobicContact CB-CE1 3.81Å; C101-F153 HydrophobicContact CB-CG 3.99Å; C101-F153 HydrophobicContact CB-CZ 4.23Å; I103-F153 HydrophobicContact CD1-CD1 4.22Å; I103-F153 HydrophobicContact CG1-CD1 4.45Å; M151-F153 HydrophobicContact CB-CD2 4.19Å; M151-F153 HydrophobicContact CB-CE2 3.81Å; M151-F153 HydrophobicContact CE-CE2 3.91Å; M151-F153 HydrophobicContact CE-CZ 4.05Å; M151-F153 HydrophobicContact SD-CE2 4.14Å; F153-M155 HydrophobicContact CB-SD 4.04Å; F153-M155 PolarHBondContact O-N 2.95Å; F153-L189 HydrophobicContact CD2-CD1 4.21Å; F153-L189 HydrophobicContact CD2-CD2 3.51Å; F153-L189 HydrophobicContact CD2-CG 3.68Å; F153-L189 HydrophobicContact CE2-CD1 3.74Å; F153-L189 HydrophobicContact CE2-CD2 3.92Å; F153-L189 HydrophobicContact CE2-CG 3.63Å; F153-L189 HydrophobicContact CG-CD2 4.2Å; F153-L189 HydrophobicContact CZ-CD1 4.38Å; F153-I190 PolarHBondContact N-O 3.42Å; F153-I191 HydrophobicContact CB-CD1 3.72Å; F153-I191 HydrophobicContact CG-CD1 4.24Å; F153-I192 PolarHBondContact O-N 2.98Å
154D98.6Very high97Very high6 Ų634.4 Ų34.43%0.03218%0.175CC..EExtended strand (participates in β ladder)trans-84.1108.4169.4177.924.1000110.6C101 I102 I103 E156 I192 R193 F241C101-D154 PolarHBondContact O-N 2.61Å; I102-D154 HydrophobicContact CD1-CB 3.94Å; I103-D154 WeakPolarHBondContact CB-O 3.44Å; I103-D154 WeakPolarHBondContact CG1-O 3.41Å; I103-D154 PolarHBondContact N-O 3.11Å; D154-E156 WeakPolarHBondContact OD1-CB 3.42Å; D154-E156 PolarHBondContact OD1-N 3.42Å; D154-E156 VanDerWaalsContact OD1-N 3.11Å; D154-I192 HydrophobicContact CB-CD1 4.13Å; D154-I192 HydrophobicContact CB-CG1 4.06Å; D154-R193 IonicContact OD1-CZ 2.64Å; D154-R193 IonicContact OD1-NE 3.1Å; D154-R193 PolarHBondContact OD1-NE 3.41Å; D154-R193 IonicContact OD1-NH2 2.61Å; D154-R193 PolarHBondContact OD1-NH2 3.07Å; D154-R193 IonicContact OD2-CZ 3.41Å; D154-R193 IonicContact OD2-NE 3.89Å; D154-R193 IonicContact OD2-NH2 3.9Å; D154-R193 PolarHBondContact OD2-NH2 3.43Å; D154-F241 HydrophobicContact CB-CE1 4.28Å
155M98.2Very high97Very high15 Ų1531.3 Ų31.37%0.07417%0.165CC..  trans-94.63.6-176.5-56.5-55.7-67.100112.9I103 F153 G157 L158 I191 I192 R193 P195 F198I103-M155 HydrophobicContact CB-SD 4.24Å; I103-M155 HydrophobicContact CG1-CE 4.19Å; I103-M155 HydrophobicContact CG1-SD 3.57Å; I103-M155 VanDerWaalsContact CG1-SD 3.57Å; I103-M155 HydrophobicContact CG2-CE 4.32Å; F153-M155 HydrophobicContact CB-SD 4.04Å; F153-M155 PolarHBondContact O-N 2.95Å; M155-G157 PolarHBondContact O-N 3.32Å; M155-L158 HydrophobicContact CE-CB 4.32Å; M155-L158 HydrophobicContact CE-CD1 4.18Å; M155-L158 HydrophobicContact CE-CD2 3.74Å; M155-L158 HydrophobicContact CE-CG 4.27Å; M155-L158 VanDerWaalsContact O-CB 3.26Å; M155-L158 WeakPolarHBondContact O-CB 3.47Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-I191 HydrophobicContact CG-CG2 3.58Å; M155-I192 WeakPolarHBondContact CB-O 3.26Å; M155-I192 PolarHBondContact N-O 3.2Å; M155-R193 CarbonylContact C-O 3.55Å; M155-P195 WeakPolarHBondContact O-CD 3.49Å; M155-F198 HydrophobicContact CE-CD2 3.87Å; M155-F198 HydrophobicContact CE-CE2 4.29Å; M155-F198 HydrophobicContact CG-CD2 4.14Å; M155-F198 HydrophobicContact CG-CE2 4.43Å
156E97.8Very high96.9Very high110 Ų11028.9 Ų28.951%0.51416%0.155SC..THydrogen-bonded Turntrans-56.8132.1174-174.7166.7-154.500109.9G104 D154 L158 R193G104-E156 WeakPolarHBondContact CA-O 3.39Å; G104-E156 PolarHBondContact N-O 3.04Å; G104-E156 VanDerWaalsContact N-O 3.17Å; D154-E156 WeakPolarHBondContact OD1-CB 3.42Å; D154-E156 PolarHBondContact OD1-N 3.42Å; D154-E156 VanDerWaalsContact OD1-N 3.11Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.39Å; E156-R193 HydrophobicContact CB-CB 3.83Å; E156-R193 HydrophobicContact CB-CG 4.42Å; E156-R193 VanDerWaalsContact OE2-CD 3.25Å; E156-R193 WeakPolarHBondContact OE2-CD 3.38Å; E156-R193 IonicContact OE2-CZ 3.83Å; E156-R193 IonicContact OE2-NE 3.88Å; E156-R193 PolarHBondContact OE2-NE 3.44Å; E156-R193 IonicContact OE2-NH1 3.74Å; E156-R193 PolarHBondContact OE2-NH1 3.34Å
157G96.8Very high96.7Very high47 Ų4728.8 Ų28.849%0.48516%0.155SC..THydrogen-bonded Turntrans78.22.9-176.600000115.3G104 M155 S159 H162G104-G157 VanDerWaalsContact CA-C 3.4Å; G104-G157 WeakPolarHBondContact CA-O 3.43Å; M155-G157 PolarHBondContact O-N 3.32Å; G157-S159 PolarHBondContact O-N 3.24Å; G157-H162 PolarHBondContact O-CE1 3.16Å; G157-H162 VanDerWaalsContact O-CE1 3.31Å
158L97.9Very high96.8Very high13 Ų1327.6 Ų27.67%0.06815%0.15CC..  trans-54.6116168171.876.8000109.5I103 M155 E156 H162 P195 L197 F198 A201I103-L158 HydrophobicContact CG2-CB 4.42Å; I103-L158 HydrophobicContact CG2-CD1 3.97Å; M155-L158 HydrophobicContact CE-CB 4.32Å; M155-L158 HydrophobicContact CE-CD1 4.18Å; M155-L158 HydrophobicContact CE-CD2 3.74Å; M155-L158 HydrophobicContact CE-CG 4.27Å; M155-L158 VanDerWaalsContact O-CB 3.26Å; M155-L158 WeakPolarHBondContact O-CB 3.47Å; M155-L158 PolarHBondContact O-N 3.48Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.39Å; L158-H162 HydrophobicContact CD1-CB 3.78Å; L158-P195 HydrophobicContact CB-CG 3.75Å; L158-P195 HydrophobicContact CD2-CG 4.06Å; L158-P195 HydrophobicContact CG-CG 4.29Å; L158-L197 HydrophobicContact CD2-CB 4.32Å; L158-L197 HydrophobicContact CG-CD2 4.38Å; L158-F198 HydrophobicContact CD2-CB 4.3Å; L158-A201 HydrophobicContact CD1-CB 4.26Å; L158-A201 HydrophobicContact CD2-CB 3.79Å
159S96.6Very high96.7Very high48 Ų4829 Ų2934%0.33616%0.156SC..  trans-135.3177.3-178.768.90000112.1G157 K161 H162G157-S159 PolarHBondContact O-N 3.24Å; S159-K161 PolarHBondContact O-N 3.39Å; S159-K161 VanDerWaalsContact O-N 3.11Å; S159-K161 WeakPolarHBondContact OG-CG 3.48Å; S159-H162 PolarHBondContact N-CE1 3.35Å; S159-H162 PolarHBondContact N-ND1 3.46Å; S159-H162 PolarHBondContact O-N 3.49Å; S159-H162 PolarHBondContact O-ND1 3.02Å
160L95.9Very high96.6Very high48 Ų4828.7 Ų28.725%0.25115%0.153SC..G310 helixtrans-56.5-27.1-177-67.3179.2000114.3H162 L163 L197 V302 S352L160-H162 PolarHBondContact O-N 3.25Å; L160-L163 HydrophobicContact CD2-CD1 4.02Å; L160-L163 WeakPolarHBondContact O-CB 3.46Å; L160-L163 PolarHBondContact O-N 2.89Å; L160-L197 HydrophobicContact CD2-CD1 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.14Å; L160-V302 HydrophobicContact CD2-CB 4.49Å; L160-V302 HydrophobicContact CD2-CG1 3.8Å; L160-V302 HydrophobicContact CD2-CG2 3.78Å; L160-S352 WeakPolarHBondContact CB-OG 3.1Å
161K94.9Very high96.5Very high95 Ų9531.1 Ų31.141%0.41316%0.163SC..G310 helixtrans-57.9-30.8176.175.5-177.9174.2161.20112.9G104 L106 S159 L163 W164G104-K161 WeakPolarHBondContact O-CE 3.4Å; G104-K161 PolarHBondContact O-NZ 2.83Å; L106-K161 WeakPolarHBondContact O-CE 3.4Å; L106-K161 PolarHBondContact O-NZ 3Å; S159-K161 PolarHBondContact O-N 3.39Å; S159-K161 VanDerWaalsContact O-N 3.11Å; S159-K161 WeakPolarHBondContact OG-CG 3.48Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.79Å; K161-W164 WeakPolarHBondContact O-CB 3.41Å; K161-W164 PolarHBondContact O-N 3.23Å
162H96.8Very high96.4Very high20 Ų2032.3 Ų32.39%0.09317%0.168CC..G310 helixtrans-78.8-13179.7-47.290.4000112.6I103 G157 L158 S159 L160 W164I103-H162 PolarHBondContact O-NE2 2.67Å; G157-H162 PolarHBondContact O-CE1 3.16Å; G157-H162 VanDerWaalsContact O-CE1 3.31Å; L158-H162 HydrophobicContact CD1-CB 3.78Å; S159-H162 PolarHBondContact N-CE1 3.35Å; S159-H162 PolarHBondContact N-ND1 3.46Å; S159-H162 PolarHBondContact O-N 3.49Å; S159-H162 PolarHBondContact O-ND1 3.02Å; L160-H162 PolarHBondContact O-N 3.25Å; H162-W164 VanDerWaalsContact C-N 3.29Å
163L96.6Very high96.4Very high2 Ų236.5 Ų36.51%0.0119%0.188CC..G310 helixtrans-90.35.2176.5-51.1-172.4000112.3L160 K161 K165 L197 V200 A201 L204 V302 R304 L384L160-L163 HydrophobicContact CD2-CD1 4.02Å; L160-L163 WeakPolarHBondContact O-CB 3.46Å; L160-L163 PolarHBondContact O-N 2.89Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.79Å; L163-K165 PolarHBondContact O-N 3.37Å; L163-L197 HydrophobicContact CD1-CD1 3.95Å; L163-L197 HydrophobicContact CD1-CD2 4.2Å; L163-L197 HydrophobicContact CD1-CG 4.25Å; L163-V200 HydrophobicContact CD1-CG1 4Å; L163-A201 HydrophobicContact CD2-CB 3.84Å; L163-L204 HydrophobicContact CD2-CD1 3.84Å; L163-V302 HydrophobicContact CD1-CB 4.32Å; L163-V302 HydrophobicContact CD1-CG1 4.15Å; L163-V302 HydrophobicContact CD1-CG2 3.98Å; L163-R304 VanDerWaalsContact O-CD 3.28Å; L163-R304 WeakPolarHBondContact O-CD 3.48Å; L163-R304 PolarHBondContact O-NH1 2.87Å; L163-L384 HydrophobicContact CB-CD1 4.37Å; L163-L384 HydrophobicContact CD1-CD1 4.38Å
164W94.7Very high96.3Very high21 Ų2136.5 Ų36.58%0.0819%0.188CC..  trans-59127.6173.1-178.557.7000110.2K109 L112 K161 H162 P166 A167 V168 V274K109-W164 HydrophobicContact CB-CE3 4.28Å; K109-W164 HydrophobicContact CB-CZ3 4.15Å; K109-W164 HydrophobicContact CG-CH2 4.11Å; K109-W164 HydrophobicContact CG-CZ2 4.41Å; K109-W164 HydrophobicContact CG-CZ3 4.15Å; L112-W164 HydrophobicContact CB-CH2 4.13Å; L112-W164 HydrophobicContact CB-CZ3 3.8Å; L112-W164 HydrophobicContact CD1-CE3 4.02Å; L112-W164 HydrophobicContact CD1-CH2 4.21Å; L112-W164 HydrophobicContact CD1-CZ3 3.4Å; L112-W164 HydrophobicContact CG-CZ3 4.22Å; K161-W164 WeakPolarHBondContact O-CB 3.41Å; K161-W164 PolarHBondContact O-N 3.23Å; H162-W164 VanDerWaalsContact C-N 3.29Å; W164-P166 HydrophobicContact CD2-CB 4.2Å; W164-P166 HydrophobicContact CD2-CG 4.04Å; W164-P166 HydrophobicContact CE3-CB 4.05Å; W164-P166 HydrophobicContact CE3-CG 4.38Å; W164-P166 HydrophobicContact CH2-CB 3.83Å; W164-P166 HydrophobicContact CH2-CG 3.95Å; W164-P166 HydrophobicContact CZ2-CB 3.98Å; W164-P166 HydrophobicContact CZ2-CG 3.55Å; W164-P166 HydrophobicContact CZ3-CB 3.88Å; W164-P166 HydrophobicContact CZ3-CG 4.34Å; W164-A167 HydrophobicContact CE3-CB 4.02Å; W164-A167 WeakPolarHBondContact O-CB 3.46Å; W164-A167 PolarHBondContact O-N 3.11Å; W164-V168 PolarHBondContact O-N 2.69Å; W164-V274 HydrophobicContact CH2-CB 4.36Å; W164-V274 HydrophobicContact CH2-CG2 3.67Å; W164-V274 HydrophobicContact CZ2-CB 4.47Å; W164-V274 HydrophobicContact CZ2-CG2 4.22Å
165K93.1Very high96.2Very high43 Ų4336.8 Ų36.819%0.18719%0.189CC..Hα-helixtrans-56-47.8-165.8-177.8170.4-175.1156.90113.5L163 A167 V168 E169 E382L163-K165 PolarHBondContact O-N 3.37Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 3.22Å; K165-V168 PolarHBondContact O-N 2.68Å; K165-V168 VanDerWaalsContact O-N 3.15Å; K165-E169 WeakPolarHBondContact O-CG 3.26Å; K165-E169 PolarHBondContact O-N 3.2Å; K165-E382 IonicContact NZ-OE1 2.62Å; K165-E382 PolarHBondContact NZ-OE1 2.9Å; K165-E382 IonicContact NZ-OE2 2.8Å
166P93.6Very high96.1Very high6 Ų637.5 Ų37.54%0.03920%0.2CC..Hα-helixtrans-57.2-36.5175.1-29.938.9000114.6L112 W164 V170 V274 L276L112-P166 HydrophobicContact CD1-CB 3.89Å; W164-P166 HydrophobicContact CD2-CB 4.2Å; W164-P166 HydrophobicContact CD2-CG 4.04Å; W164-P166 HydrophobicContact CE3-CB 4.05Å; W164-P166 HydrophobicContact CE3-CG 4.38Å; W164-P166 HydrophobicContact CH2-CB 3.83Å; W164-P166 HydrophobicContact CH2-CG 3.95Å; W164-P166 HydrophobicContact CZ2-CB 3.98Å; W164-P166 HydrophobicContact CZ2-CG 3.55Å; W164-P166 HydrophobicContact CZ3-CB 3.88Å; W164-P166 HydrophobicContact CZ3-CG 4.34Å; P166-V170 WeakPolarHBondContact O-CG2 3.48Å; P166-V170 PolarHBondContact O-N 2.95Å; P166-V274 HydrophobicContact CB-CG1 4.44Å; P166-V274 HydrophobicContact CG-CG1 4.43Å; P166-L276 HydrophobicContact CG-CD2 3.63Å
167A94.8Very high96.1Very high6 Ų633.4 Ų33.45%0.0518%0.181CC..Hα-helixtrans-70.1-43.5176.200000111.6P108 L112 W164 K165 E169 V170 Y171P108-A167 HydrophobicContact CB-CB 3.44Å; P108-A167 VanDerWaalsContact CB-CB 3.44Å; P108-A167 HydrophobicContact CG-CB 4.34Å; L112-A167 HydrophobicContact CD1-CB 4.14Å; W164-A167 HydrophobicContact CE3-CB 4.02Å; W164-A167 WeakPolarHBondContact O-CB 3.46Å; W164-A167 PolarHBondContact O-N 3.11Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 3.22Å; A167-E169 VanDerWaalsContact C-N 3.29Å; A167-E169 PolarHBondContact O-N 3.3Å; A167-V170 WeakPolarHBondContact O-CB 3.49Å; A167-V170 PolarHBondContact O-N 3.26Å; A167-Y171 WeakPolarHBondContact O-CD2 3.47Å; A167-Y171 PolarHBondContact O-N 3.08Å
168V96Very high96.1Very high10 Ų1032.1 Ų32.16%0.06116%0.163CC..Hα-helixtrans-59.4-41.9176.3173.80000110.9W164 K165 V170 Y171 Q172 L204W164-V168 PolarHBondContact O-N 2.69Å; K165-V168 PolarHBondContact O-N 2.68Å; K165-V168 VanDerWaalsContact O-N 3.15Å; V168-V170 VanDerWaalsContact C-N 3.29Å; V168-V170 PolarHBondContact O-N 3.32Å; V168-Y171 PolarHBondContact O-N 3.12Å; V168-Y171 VanDerWaalsContact O-N 3.12Å; V168-Q172 HydrophobicContact CG1-CG 4.09Å; V168-Q172 WeakPolarHBondContact O-CG 3.44Å; V168-Q172 PolarHBondContact O-N 3.04Å; V168-L204 HydrophobicContact CG1-CB 3.85Å; V168-L204 HydrophobicContact CG1-CD1 4.15Å; V168-L204 HydrophobicContact CG1-CG 4.46Å; V168-L204 HydrophobicContact CG2-CD1 3.96Å
169E95.4Very high96Very high69 Ų6933.3 Ų33.332%0.32217%0.168SC..Hα-helixtrans-60.2-35177.5-74.7177.5-17100113.3K117 K165 A167 Y171 Q172 Q173K117-E169 IonicContact NZ-OE2 3.06Å; K165-E169 WeakPolarHBondContact O-CG 3.26Å; K165-E169 PolarHBondContact O-N 3.2Å; A167-E169 VanDerWaalsContact C-N 3.29Å; A167-E169 PolarHBondContact O-N 3.3Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; E169-Q172 PolarHBondContact O-N 2.95Å; E169-Q173 VanDerWaalsContact O-CB 3.3Å; E169-Q173 WeakPolarHBondContact O-CB 3.15Å; E169-Q173 PolarHBondContact O-N 3.14Å
170V96.6Very high96Very high3 Ų333 Ų332%0.01817%0.169CC..Hα-helixtrans-59.1-48174.1174.50000110L112 K117 L120 I121 P166 A167 V168 F174L112-V170 HydrophobicContact CD1-CG2 4.28Å; L112-V170 HydrophobicContact CD2-CG2 4.04Å; K117-V170 HydrophobicContact CD-CG2 4.07Å; K117-V170 HydrophobicContact CG-CG2 3.86Å; L120-V170 HydrophobicContact CB-CG1 4.15Å; L120-V170 HydrophobicContact CD1-CG2 4.47Å; I121-V170 HydrophobicContact CG1-CG1 4.06Å; P166-V170 WeakPolarHBondContact O-CG2 3.48Å; P166-V170 PolarHBondContact O-N 2.95Å; A167-V170 WeakPolarHBondContact O-CB 3.49Å; A167-V170 PolarHBondContact O-N 3.26Å; V168-V170 VanDerWaalsContact C-N 3.29Å; V168-V170 PolarHBondContact O-N 3.32Å; V170-F174 WeakPolarHBondContact O-CB 3.38Å; V170-F174 PolarHBondContact O-N 2.99Å
171Y96.1Very high96.1Very high52 Ų5231.3 Ų31.320%0.20416%0.16CC..Hα-helixtrans-71.3-39.3-179.2-75.7-83.5000112.4R124 A167 V168 E169 Q173 F174 F175R124-Y171 PolarHBondContact NH2-OH 2.99Å; R124-Y171 VanDerWaalsContact NH2-OH 3.16Å; A167-Y171 WeakPolarHBondContact O-CD2 3.47Å; A167-Y171 PolarHBondContact O-N 3.08Å; V168-Y171 PolarHBondContact O-N 3.12Å; V168-Y171 VanDerWaalsContact O-N 3.12Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-Q173 PolarHBondContact O-N 2.79Å; Y171-F174 PolarHBondContact O-N 3.31Å; Y171-F175 WeakPolarHBondContact O-CD2 3.46Å; Y171-F175 PolarHBondContact O-N 3.45Å
172Q97.3Very high96.2Very high46 Ų4627.1 Ų27.122%0.21514%0.142CC..Hα-helixtrans-58.4-47.9173.6-72.2177.6-23.200111.4V168 E169 F175 G176 L204 V205 F208V168-Q172 HydrophobicContact CG1-CG 4.09Å; V168-Q172 WeakPolarHBondContact O-CG 3.44Å; V168-Q172 PolarHBondContact O-N 3.04Å; E169-Q172 PolarHBondContact O-N 2.95Å; Q172-F175 PolarHBondContact O-N 2.87Å; Q172-G176 PolarHBondContact O-N 2.91Å; Q172-L204 PolarHBondContact NE2-O 3.44Å; Q172-V205 HydrophobicContact CG-CG1 4.24Å; Q172-F208 HydrophobicContact CB-CD1 4.25Å; Q172-F208 HydrophobicContact CB-CD2 3.89Å; Q172-F208 HydrophobicContact CB-CE1 4.04Å; Q172-F208 HydrophobicContact CB-CE2 3.67Å; Q172-F208 HydrophobicContact CB-CG 4.18Å; Q172-F208 HydrophobicContact CB-CZ 3.74Å; Q172-F208 HydrophobicContact CG-CD2 3.74Å; Q172-F208 HydrophobicContact CG-CE2 3.42Å; Q172-F208 VanDerWaalsContact CG-CE2 3.42Å; Q172-F208 HydrophobicContact CG-CZ 3.94Å; Q172-F208 WeakPolarHBondContact O-CD1 3.29Å
173Q97.6Very high96.2Very high89 Ų8926.5 Ų26.542%0.41614%0.14SC..Hα-helixtrans-65.1-40.7177.5-169.6172900111.4I121 E169 Y171 G176 I177I121-Q173 HydrophobicContact CD1-CB 4.04Å; I121-Q173 HydrophobicContact CD1-CG 3.88Å; E169-Q173 VanDerWaalsContact O-CB 3.3Å; E169-Q173 WeakPolarHBondContact O-CB 3.15Å; E169-Q173 PolarHBondContact O-N 3.14Å; Y171-Q173 PolarHBondContact O-N 2.79Å; Q173-G176 PolarHBondContact O-N 2.73Å; Q173-I177 HydrophobicContact CG-CD1 4.16Å; Q173-I177 WeakPolarHBondContact O-CG1 3.47Å; Q173-I177 PolarHBondContact O-N 2.81Å
174F96.9Very high96.1Very high17 Ų1727.9 Ų27.98%0.07515%0.146CC..Hα-helixtrans-61.7-48.2176170.3-115.6000112.6R124 V170 Y171 G176 I177 L178R124-F174 HydrophobicContact CB-CD2 3.45Å; R124-F174 VanDerWaalsContact CB-CD2 3.45Å; R124-F174 HydrophobicContact CB-CE2 3.51Å; R124-F174 HydrophobicContact CB-CG 4.02Å; R124-F174 HydrophobicContact CB-CZ 4.09Å; R124-F174 HydrophobicContact CG-CD2 4.35Å; R124-F174 HydrophobicContact CG-CG 4.45Å; V170-F174 WeakPolarHBondContact O-CB 3.38Å; V170-F174 PolarHBondContact O-N 2.99Å; Y171-F174 PolarHBondContact O-N 3.31Å; F174-G176 VanDerWaalsContact C-N 3.3Å; F174-G176 PolarHBondContact O-N 3.35Å; F174-I177 WeakPolarHBondContact O-CB 3.47Å; F174-I177 PolarHBondContact O-N 3.43Å; F174-I177 VanDerWaalsContact O-N 3.09Å; F174-L178 HydrophobicContact CZ-CD1 4.33Å; F174-L178 PolarHBondContact O-N 3.02Å
175F96.3Very high96.2Very high12 Ų1227.8 Ų27.85%0.05315%0.148CC..Hα-helixtrans-62.4-38.5177.3-75-59.5000111.8Y171 Q172 I177 L178 E179 V205 F208 M209Y171-F175 WeakPolarHBondContact O-CD2 3.46Å; Y171-F175 PolarHBondContact O-N 3.45Å; Q172-F175 PolarHBondContact O-N 2.87Å; F175-I177 VanDerWaalsContact C-N 3.32Å; F175-I177 PolarHBondContact O-N 3Å; F175-L178 HydrophobicContact CD1-CD2 4.24Å; F175-L178 WeakPolarHBondContact O-CB 3.4Å; F175-L178 PolarHBondContact O-N 3.18Å; F175-E179 WeakPolarHBondContact O-CG 3.36Å; F175-E179 PolarHBondContact O-N 3.3Å; F175-V205 HydrophobicContact CD2-CB 3.88Å; F175-V205 HydrophobicContact CD2-CG1 4.26Å; F175-V205 HydrophobicContact CD2-CG2 4.44Å; F175-V205 HydrophobicContact CE2-CB 3.99Å; F175-V205 HydrophobicContact CE2-CG1 4.26Å; F175-V205 HydrophobicContact CE2-CG2 4.1Å; F175-F208 HydrophobicContact CB-CB 3.81Å; F175-M209 HydrophobicContact CD1-CE 3.74Å; F175-M209 HydrophobicContact CD1-CG 4.23Å; F175-M209 HydrophobicContact CD2-CE 3.79Å; F175-M209 HydrophobicContact CE1-CE 3.46Å; F175-M209 VanDerWaalsContact CE1-CE 3.46Å; F175-M209 HydrophobicContact CE2-CE 3.5Å; F175-M209 VanDerWaalsContact CE2-CE 3.5Å; F175-M209 HydrophobicContact CG-CE 3.92Å; F175-M209 HydrophobicContact CG-CG 4.32Å; F175-M209 HydrophobicContact CZ-CE 3.33Å
176G97.3Very high96.4Very high30 Ų3026.5 Ų26.531%0.30914%0.143SC..Hα-helixtrans-59.8-40.2171.900000113.2Q172 Q173 F174 A180Q172-G176 PolarHBondContact O-N 2.91Å; Q173-G176 PolarHBondContact O-N 2.73Å; F174-G176 VanDerWaalsContact C-N 3.3Å; F174-G176 PolarHBondContact O-N 3.35Å; G176-A180 VanDerWaalsContact O-CB 3.3Å; G176-A180 WeakPolarHBondContact O-CB 3.39Å; G176-A180 PolarHBondContact O-N 3.24Å
177I97.7Very high96.6Very high24 Ų2427.8 Ų27.812%0.12315%0.148CC..Hα-helixtrans-66.2-43.1174.4-70.8163.1000111F62 I121 I125 Q173 F174 F175 A180 N181 Y182F62-I177 HydrophobicContact CE1-CG2 4.44Å; F62-I177 HydrophobicContact CE2-CG1 4.49Å; F62-I177 HydrophobicContact CE2-CG2 3.88Å; F62-I177 HydrophobicContact CZ-CG2 3.56Å; I121-I177 HydrophobicContact CG2-CD1 3.49Å; I121-I177 VanDerWaalsContact CG2-CD1 3.49Å; I125-I177 HydrophobicContact CD1-CD1 4.34Å; I125-I177 HydrophobicContact CD1-CG2 4.36Å; I125-I177 HydrophobicContact CG1-CG2 4.07Å; Q173-I177 HydrophobicContact CG-CD1 4.16Å; Q173-I177 WeakPolarHBondContact O-CG1 3.47Å; Q173-I177 PolarHBondContact O-N 2.81Å; F174-I177 WeakPolarHBondContact O-CB 3.47Å; F174-I177 PolarHBondContact O-N 3.43Å; F174-I177 VanDerWaalsContact O-N 3.09Å; F175-I177 VanDerWaalsContact C-N 3.32Å; F175-I177 PolarHBondContact O-N 3Å; I177-A180 PolarHBondContact O-N 2.63Å; I177-N181 WeakPolarHBondContact O-CB 3.35Å; I177-N181 PolarHBondContact O-N 3.12Å; I177-N181 PolarHBondContact O-ND2 3.42Å; I177-Y182 HydrophobicContact CG2-CE2 4.49Å
178L96.3Very high96.7Very high20 Ų2029.2 Ų29.211%0.10516%0.155CC..Hα-helixtrans-57.6-52.2179.2-170.374.2000111F174 F175 A180 N181 Y182F174-L178 HydrophobicContact CZ-CD1 4.33Å; F174-L178 PolarHBondContact O-N 3.02Å; F175-L178 HydrophobicContact CD1-CD2 4.24Å; F175-L178 WeakPolarHBondContact O-CB 3.4Å; F175-L178 PolarHBondContact O-N 3.18Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 3.39Å; L178-N181 PolarHBondContact O-N 3.46Å; L178-Y182 HydrophobicContact CD1-CD2 4.22Å; L178-Y182 HydrophobicContact CD1-CG 4.31Å; L178-Y182 CarbonylContact O-C 3.49Å; L178-Y182 WeakPolarHBondContact O-CA 3.26Å; L178-Y182 WeakPolarHBondContact O-CB 3.5Å; L178-Y182 PolarHBondContact O-N 3.25Å
179E95.3Very high96.8Very high38 Ų3829 Ų2918%0.17815%0.153CC..Hα-helixtrans-64.8-30.4179.6-66.4-64.8169.700113.4M55 F175 F208 M209 S210 T213M55-E179 WeakPolarHBondContact CE-O 3.39Å; F175-E179 WeakPolarHBondContact O-CG 3.36Å; F175-E179 PolarHBondContact O-N 3.3Å; E179-F208 VanDerWaalsContact CG-O 3.26Å; E179-F208 WeakPolarHBondContact CG-O 3.41Å; E179-M209 WeakPolarHBondContact OE1-CA 3.38Å; E179-S210 PolarHBondContact OE1-N 3.31Å; E179-S210 PolarHBondContact OE1-OG 3.3Å; E179-S210 WeakPolarHBondContact OE2-CB 3.22Å; E179-S210 PolarHBondContact OE2-OG 3.29Å; E179-T213 WeakPolarHBondContact OE1-CB 3.33Å; E179-T213 PolarHBondContact OE1-OG1 2.83Å
180A97.2Very high97Very high43 Ų4325.8 Ų25.836%0.35514%0.138SC..Hα-helixtrans-83-30.1-178.400000113.6M55 G176 I177 L178M55-A180 WeakPolarHBondContact CE-O 3.5Å; G176-A180 VanDerWaalsContact O-CB 3.3Å; G176-A180 WeakPolarHBondContact O-CB 3.39Å; G176-A180 PolarHBondContact O-N 3.24Å; I177-A180 PolarHBondContact O-N 2.63Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 3.39Å
181N97.6Very high97.1Very high12 Ų1226 Ų266%0.06414%0.139CC..Hα-helixtrans-122.2-18.1-167.3-65.1-76.6000114.6W41 H59 F62 I177 L178 P183W41-N181 WeakPolarHBondContact CH2-O 3.48Å; H59-N181 PolarHBondContact ND1-OD1 2.79Å; H59-N181 VanDerWaalsContact ND1-OD1 3.1Å; F62-N181 WeakPolarHBondContact CB-OD1 3.43Å; F62-N181 HydrophobicContact CD1-CB 4.06Å; F62-N181 VanDerWaalsContact CD1-CG 3.42Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.41Å; F62-N181 HydrophobicContact CE1-CB 4.02Å; F62-N181 VanDerWaalsContact CG-OD1 3.25Å; F62-N181 WeakPolarHBondContact CG-OD1 3.41Å; I177-N181 WeakPolarHBondContact O-CB 3.35Å; I177-N181 PolarHBondContact O-N 3.12Å; I177-N181 PolarHBondContact O-ND2 3.42Å; L178-N181 PolarHBondContact O-N 3.46Å; N181-P183 WeakPolarHBondContact O-CD 3.49Å
182Y96.9Very high97.2Very high7 Ų723.5 Ų23.53%0.02713%0.129CC..SBendtrans-12549.1-177.5-58.6-83.6000111.7I125 C128 E129 L132 I177 L178 T185I125-Y182 WeakPolarHBondContact CG2-OH 3.3Å; C128-Y182 HydrophobicContact CB-CD1 3.84Å; C128-Y182 HydrophobicContact CB-CD2 4.15Å; C128-Y182 HydrophobicContact CB-CE1 3.51Å; C128-Y182 HydrophobicContact CB-CE2 3.83Å; C128-Y182 HydrophobicContact CB-CG 4.15Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.34Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.26Å; E129-Y182 PolarHBondContact OE1-OH 3.41Å; L132-Y182 HydrophobicContact CD1-CD1 3.95Å; L132-Y182 HydrophobicContact CD1-CE1 3.92Å; I177-Y182 HydrophobicContact CG2-CE2 4.49Å; L178-Y182 HydrophobicContact CD1-CD2 4.22Å; L178-Y182 HydrophobicContact CD1-CG 4.31Å; L178-Y182 CarbonylContact O-C 3.49Å; L178-Y182 WeakPolarHBondContact O-CA 3.26Å; L178-Y182 WeakPolarHBondContact O-CB 3.5Å; L178-Y182 PolarHBondContact O-N 3.25Å; Y182-T185 WeakPolarHBondContact O-CG2 3.44Å; Y182-T185 PolarHBondContact O-OG1 3.48Å
183P96.5Very high97.2Very high7 Ų723.5 Ų23.55%0.04513%0.127CC..THydrogen-bonded Turntrans-60.4145.1179.126.1-33.2000111.3R40 W41 A44 M55 N181 T185R40-P183 HydrophobicContact CB-CG 4.47Å; R40-P183 WeakPolarHBondContact CD-O 3.32Å; R40-P183 PolarHBondContact NH1-O 3.12Å; W41-P183 HydrophobicContact CD2-CG 4.02Å; W41-P183 HydrophobicContact CE3-CG 3.66Å; W41-P183 HydrophobicContact CH2-CG 4.09Å; W41-P183 HydrophobicContact CZ2-CG 4.44Å; W41-P183 HydrophobicContact CZ3-CG 3.71Å; A44-P183 HydrophobicContact CB-CB 3.48Å; A44-P183 VanDerWaalsContact CB-CB 3.48Å; A44-P183 HydrophobicContact CB-CG 4.44Å; M55-P183 HydrophobicContact CE-CB 3.91Å; M55-P183 HydrophobicContact CE-CG 3.8Å; N181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-T185 WeakPolarHBondContact O-CG2 3.39Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 VanDerWaalsContact O-N 3.11Å
184E95.5Very high97.2Very high31 Ų3120 Ų2015%0.14511%0.114CC..THydrogen-bonded Turntrans54.228.6175.7-61.5-52.2131.100115R40 L43 K216R40-E184 HydrophobicContact CB-CB 4.07Å; R40-E184 HydrophobicContact CG-CB 3.93Å; L43-E184 HydrophobicContact CB-CG 3.86Å; L43-E184 HydrophobicContact CD1-CG 4.41Å; E184-K216 IonicContact OE2-NZ 3.61Å; E184-K216 PolarHBondContact OE2-NZ 2.87Å
185T96.6Very high97.1Very high19 Ų1921 Ų2112%0.11712%0.122CC..  trans-101.3-16.3177.361.40000113.8L132 M148 A149 Y182 P183L132-T185 HydrophobicContact CD2-CG2 3.92Å; M148-T185 CarbonylContact C-O 3.58Å; M148-T185 WeakPolarHBondContact CA-O 3.24Å; A149-T185 PolarHBondContact N-O 3.28Å; Y182-T185 WeakPolarHBondContact O-CG2 3.44Å; Y182-T185 PolarHBondContact O-OG1 3.48Å; P183-T185 WeakPolarHBondContact O-CG2 3.39Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 VanDerWaalsContact O-N 3.11Å
186L97.1Very high97Very high15 Ų1531 Ų318%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-86.9127.3176.7-178.367.5000109.8M151 N188 L189 T213 K216M151-L186 HydrophobicContact CB-CD1 4.42Å; M151-L186 HydrophobicContact CG-CD1 3.93Å; M151-L186 HydrophobicContact SD-CD1 4.31Å; L186-N188 WeakPolarHBondContact CD1-O 3.32Å; L186-L189 HydrophobicContact CD1-CB 4.31Å; L186-L189 HydrophobicContact CD2-CB 4.08Å; L186-T213 HydrophobicContact CD2-CG2 3.87Å; L186-K216 HydrophobicContact CB-CD 4.46Å; L186-K216 HydrophobicContact CD2-CB 4.26Å; L186-K216 HydrophobicContact CD2-CD 4.46Å; L186-K216 HydrophobicContact CG-CD 4.39Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.41Å; L186-K216 WeakPolarHBondContact O-CE 3.27Å; L186-K216 PolarHBondContact O-NZ 2.88Å
187K97.3Very high97Very high34 Ų3430.7 Ų30.715%0.14815%0.15CC..EExtended strand (participates in β ladder)trans-85.5-62.7169.8-173.8172178.6171.40110.7D92 E94 M148 A149D92-K187 IonicContact OD1-NZ 2.71Å; D92-K187 WeakPolarHBondContact OD2-CD 2.86Å; D92-K187 VanDerWaalsContact OD2-CE 3.3Å; D92-K187 WeakPolarHBondContact OD2-CE 3.49Å; D92-K187 IonicContact OD2-NZ 3.64Å; D92-K187 PolarHBondContact OD2-NZ 3.09Å; E94-K187 WeakPolarHBondContact OE2-CE 3.08Å; E94-K187 IonicContact OE2-NZ 3.82Å; E94-K187 PolarHBondContact OE2-NZ 2.84Å; M148-K187 HydrophobicContact CB-CB 3.83Å; A149-K187 WeakPolarHBondContact O-CB 3.38Å; A149-K187 PolarHBondContact O-N 3.4Å
188N97.6Very high97Very high35 Ų3529.8 Ų29.819%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-143.7147175.5-71.6106.4000110.4L150 M151 L186 I190 K216L150-N188 HydrophobicContact CD1-CB 4.41Å; L150-N188 HydrophobicContact CG-CB 4.38Å; M151-N188 PolarHBondContact N-O 3.14Å; L186-N188 WeakPolarHBondContact CD1-O 3.32Å; N188-I190 HydrophobicContact CB-CG1 4.23Å; N188-K216 WeakPolarHBondContact CA-O 3.45Å
189L98.1Very high97Very high7 Ų729 Ų294%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-114.2103.1168-168.9165.9000107.8M151 F153 L186 I191 K216 I217 V218M151-L189 HydrophobicContact CB-CG 4.42Å; M151-L189 CarbonylContact O-C 3.44Å; M151-L189 WeakPolarHBondContact O-CA 3.32Å; F153-L189 HydrophobicContact CD2-CD1 4.21Å; F153-L189 HydrophobicContact CD2-CD2 3.51Å; F153-L189 HydrophobicContact CD2-CG 3.68Å; F153-L189 HydrophobicContact CE2-CD1 3.74Å; F153-L189 HydrophobicContact CE2-CD2 3.92Å; F153-L189 HydrophobicContact CE2-CG 3.63Å; F153-L189 HydrophobicContact CG-CD2 4.2Å; F153-L189 HydrophobicContact CZ-CD1 4.38Å; L186-L189 HydrophobicContact CD1-CB 4.31Å; L186-L189 HydrophobicContact CD2-CB 4.08Å; L189-I191 HydrophobicContact CD2-CD1 3.28Å; L189-I191 HydrophobicContact CD2-CG1 3.95Å; L189-K216 PolarHBondContact N-O 3.06Å; L189-I217 HydrophobicContact CB-CG1 4.25Å; L189-I217 HydrophobicContact CD2-CG1 4.48Å; L189-I217 CarbonylContact O-C 3.59Å; L189-I217 VanDerWaalsContact O-CA 3.3Å; L189-I217 WeakPolarHBondContact O-CA 3.41Å; L189-V218 PolarHBondContact O-N 3.29Å
190I98.6Very high97.1Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-94.8118.8-175.2-53.8-175.8000109.1L150 M151 V152 F153 N188 I192 V218 L220 L228 F231L150-I190 HydrophobicContact CD1-CD1 3.97Å; L150-I190 HydrophobicContact CD2-CD1 3.99Å; L150-I190 HydrophobicContact CD2-CG1 4.39Å; L150-I190 HydrophobicContact CG-CD1 4.26Å; M151-I190 PolarHBondContact O-N 3.48Å; V152-I190 CarbonylContact C-O 3.57Å; V152-I190 WeakPolarHBondContact CA-O 3.45Å; F153-I190 PolarHBondContact N-O 3.42Å; N188-I190 HydrophobicContact CB-CG1 4.23Å; I190-I192 HydrophobicContact CG2-CG2 4.1Å; I190-V218 CarbonylContact C-O 3.4Å; I190-V218 WeakPolarHBondContact CA-O 3.31Å; I190-L220 HydrophobicContact CG2-CD1 3.5Å; I190-L220 HydrophobicContact CG2-CG 3.78Å; I190-L228 HydrophobicContact CD1-CD1 3.86Å; I190-L228 HydrophobicContact CG2-CD1 4.08Å; I190-F231 HydrophobicContact CD1-CB 3.89Å; I190-F231 HydrophobicContact CD1-CD1 3.71Å; I190-F231 HydrophobicContact CD1-CD2 3.62Å; I190-F231 HydrophobicContact CD1-CE1 4.11Å; I190-F231 HydrophobicContact CD1-CE2 4.03Å; I190-F231 HydrophobicContact CD1-CG 3.45Å; I190-F231 VanDerWaalsContact CD1-CG 3.45Å; I190-F231 HydrophobicContact CD1-CZ 4.26Å
191I98.6Very high97.1Very high8 Ų826 Ų264%0.04112%0.123CC..EExtended strand (participates in β ladder)trans-94.4123.7173.5-54.1-62.5000108.8F153 M155 L189 A194 F198 I217 V218 I219 L220F153-I191 HydrophobicContact CB-CD1 3.72Å; F153-I191 HydrophobicContact CG-CD1 4.24Å; M155-I191 HydrophobicContact CG-CG2 3.58Å; L189-I191 HydrophobicContact CD2-CD1 3.28Å; L189-I191 HydrophobicContact CD2-CG1 3.95Å; I191-A194 HydrophobicContact CG2-CB 3.83Å; I191-F198 HydrophobicContact CD1-CE2 3.95Å; I191-F198 HydrophobicContact CD1-CZ 4.24Å; I191-F198 HydrophobicContact CG1-CE2 4.07Å; I191-F198 HydrophobicContact CG1-CZ 3.97Å; I191-F198 HydrophobicContact CG2-CD2 4.23Å; I191-F198 HydrophobicContact CG2-CE2 3.82Å; I191-F198 HydrophobicContact CG2-CZ 4.19Å; I191-I217 HydrophobicContact CG1-CG2 4.01Å; I191-V218 PolarHBondContact N-O 2.99Å; I191-I219 HydrophobicContact CB-CB 4.46Å; I191-I219 HydrophobicContact CB-CG1 4.15Å; I191-I219 HydrophobicContact CB-CG2 4.43Å; I191-I219 HydrophobicContact CG1-CG1 4.16Å; I191-I219 HydrophobicContact CG2-CG2 4.46Å; I191-L220 PolarHBondContact O-N 3.22Å
192I98.5Very high97.1Very high0 Ų026.9 Ų26.90%013%0.126CC..EExtended strand (participates in β ladder)trans-117.6155.5172.466.1175.1000110.9V152 F153 D154 M155 I190 A194 L220 W224 F241V152-I192 HydrophobicContact CG1-CD1 4.01Å; V152-I192 HydrophobicContact CG1-CG1 4.33Å; V152-I192 HydrophobicContact CG1-CG2 4.48Å; F153-I192 PolarHBondContact O-N 2.98Å; D154-I192 HydrophobicContact CB-CD1 4.13Å; D154-I192 HydrophobicContact CB-CG1 4.06Å; M155-I192 WeakPolarHBondContact CB-O 3.26Å; M155-I192 PolarHBondContact N-O 3.2Å; I190-I192 HydrophobicContact CG2-CG2 4.1Å; I192-A194 PolarHBondContact O-N 2.8Å; I192-A194 VanDerWaalsContact O-N 3.12Å; I192-L220 HydrophobicContact CG2-CB 4.37Å; I192-L220 HydrophobicContact CG2-CD1 3.95Å; I192-L220 HydrophobicContact CG2-CG 4.45Å; I192-W224 HydrophobicContact CB-CB 4.27Å; I192-W224 HydrophobicContact CB-CD2 4.25Å; I192-W224 HydrophobicContact CB-CE3 4.14Å; I192-W224 HydrophobicContact CB-CG 4.32Å; I192-W224 HydrophobicContact CD1-CE3 3.82Å; I192-W224 HydrophobicContact CD1-CH2 4.4Å; I192-W224 HydrophobicContact CD1-CZ3 3.74Å; I192-W224 HydrophobicContact CG2-CB 4.09Å; I192-W224 HydrophobicContact CG2-CE3 4.17Å; I192-F241 HydrophobicContact CD1-CD1 3.66Å; I192-F241 HydrophobicContact CD1-CE1 3.92Å
193R97.6Very high97.1Very high46 Ų4628.6 Ų28.617%0.17414%0.136CC..SBendtrans52.634.7175.2-58.7-172.6-78.5-153.9-13.6114.3D154 M155 E156 P195 W224 E240D154-R193 IonicContact OD1-CZ 2.64Å; D154-R193 IonicContact OD1-NE 3.1Å; D154-R193 PolarHBondContact OD1-NE 3.41Å; D154-R193 IonicContact OD1-NH2 2.61Å; D154-R193 PolarHBondContact OD1-NH2 3.07Å; D154-R193 IonicContact OD2-CZ 3.41Å; D154-R193 IonicContact OD2-NE 3.89Å; D154-R193 IonicContact OD2-NH2 3.9Å; D154-R193 PolarHBondContact OD2-NH2 3.43Å; M155-R193 CarbonylContact C-O 3.55Å; E156-R193 HydrophobicContact CB-CB 3.83Å; E156-R193 HydrophobicContact CB-CG 4.42Å; E156-R193 VanDerWaalsContact OE2-CD 3.25Å; E156-R193 WeakPolarHBondContact OE2-CD 3.38Å; E156-R193 IonicContact OE2-CZ 3.83Å; E156-R193 IonicContact OE2-NE 3.88Å; E156-R193 PolarHBondContact OE2-NE 3.44Å; E156-R193 IonicContact OE2-NH1 3.74Å; E156-R193 PolarHBondContact OE2-NH1 3.34Å; R193-P195 WeakPolarHBondContact O-CD 3.48Å; R193-W224 HydrophobicContact CG-CD2 4.29Å; R193-W224 HydrophobicContact CG-CZ2 3.92Å; R193-E240 IonicContact NH1-OE1 3.2Å; R193-E240 PolarHBondContact NH1-OE1 3.02Å; R193-E240 IonicContact NH2-OE1 3.28Å
194A97.3Very high97.2Very high15 Ų1529.4 Ų29.412%0.12414%0.14CC..  trans-64.4118.6-17900000113I191 I192 F198 I219 L394I191-A194 HydrophobicContact CG2-CB 3.83Å; I192-A194 PolarHBondContact O-N 2.8Å; I192-A194 VanDerWaalsContact O-N 3.12Å; A194-F198 HydrophobicContact CB-CB 4Å; A194-F198 HydrophobicContact CB-CD1 4.45Å; A194-F198 HydrophobicContact CB-CD2 4.29Å; A194-F198 HydrophobicContact CB-CG 3.99Å; A194-I219 HydrophobicContact CB-CG2 4.5Å; A194-L394 HydrophobicContact CB-CD1 4.38Å; A194-L394 HydrophobicContact CB-CD2 3.68Å
195P95.9Very high97.2Very high39 Ų3928.8 Ų28.825%0.25314%0.138SC..  trans-80.8174.7177.232.6-33.5000111.7M155 L158 R193 L197 F198M155-P195 WeakPolarHBondContact O-CD 3.49Å; L158-P195 HydrophobicContact CB-CG 3.75Å; L158-P195 HydrophobicContact CD2-CG 4.06Å; L158-P195 HydrophobicContact CG-CG 4.29Å; R193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-L197 PolarHBondContact O-N 3.29Å; P195-F198 VanDerWaalsContact O-CB 3.25Å; P195-F198 WeakPolarHBondContact O-CB 3.47Å; P195-F198 PolarHBondContact O-N 3.35Å
196R94.1Very high97.2Very high222 Ų22230.4 Ų30.484%0.83814%0.144SC*.THydrogen-bonded Turntrans-58.3-20.3176.5-67.5-176.2-178.5179.5-0.6113.8F198 P199R196-F198 VanDerWaalsContact C-N 3.34Å; R196-P199 WeakPolarHBondContact O-CD 3.12Å
197L96.3Very high97.1Very high22 Ų2233.7 Ų33.712%0.11517%0.168CC..THydrogen-bonded Turntrans-78.9-16.5177.1-16862.2000113.2L158 L160 L163 P195 V200 A201 V302L158-L197 HydrophobicContact CD2-CB 4.32Å; L158-L197 HydrophobicContact CG-CD2 4.38Å; L160-L197 HydrophobicContact CD2-CD1 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.14Å; L163-L197 HydrophobicContact CD1-CD1 3.95Å; L163-L197 HydrophobicContact CD1-CD2 4.2Å; L163-L197 HydrophobicContact CD1-CG 4.25Å; P195-L197 PolarHBondContact O-N 3.29Å; L197-V200 HydrophobicContact CD1-CB 4.26Å; L197-V200 HydrophobicContact CD1-CG2 4.45Å; L197-V200 PolarHBondContact O-N 3.22Å; L197-V200 VanDerWaalsContact O-N 3.12Å; L197-A201 PolarHBondContact O-N 3.39Å; L197-V302 HydrophobicContact CD1-CG2 3.67Å
198F97.4Very high97Very high6 Ų635.6 Ų35.63%0.02618%0.176CC..Hα-helixtrans-53.3-45.5-176.4171.9-93.9000113.7M155 L158 I191 A194 P195 R196 V200 A201 F202 I219 L394M155-F198 HydrophobicContact CE-CD2 3.87Å; M155-F198 HydrophobicContact CE-CE2 4.29Å; M155-F198 HydrophobicContact CG-CD2 4.14Å; M155-F198 HydrophobicContact CG-CE2 4.43Å; L158-F198 HydrophobicContact CD2-CB 4.3Å; I191-F198 HydrophobicContact CD1-CE2 3.95Å; I191-F198 HydrophobicContact CD1-CZ 4.24Å; I191-F198 HydrophobicContact CG1-CE2 4.07Å; I191-F198 HydrophobicContact CG1-CZ 3.97Å; I191-F198 HydrophobicContact CG2-CD2 4.23Å; I191-F198 HydrophobicContact CG2-CE2 3.82Å; I191-F198 HydrophobicContact CG2-CZ 4.19Å; A194-F198 HydrophobicContact CB-CB 4Å; A194-F198 HydrophobicContact CB-CD1 4.45Å; A194-F198 HydrophobicContact CB-CD2 4.29Å; A194-F198 HydrophobicContact CB-CG 3.99Å; P195-F198 VanDerWaalsContact O-CB 3.25Å; P195-F198 WeakPolarHBondContact O-CB 3.47Å; P195-F198 PolarHBondContact O-N 3.35Å; R196-F198 VanDerWaalsContact C-N 3.34Å; F198-V200 PolarHBondContact O-N 2.97Å; F198-A201 PolarHBondContact O-N 2.92Å; F198-A201 VanDerWaalsContact O-N 3.11Å; F198-F202 HydrophobicContact CD1-CB 4.49Å; F198-F202 HydrophobicContact CE1-CB 4.06Å; F198-F202 HydrophobicContact CE1-CG 4.3Å; F198-F202 HydrophobicContact CE2-CB 4.39Å; F198-F202 HydrophobicContact CZ-CB 4Å; F198-F202 HydrophobicContact CZ-CD2 4.25Å; F198-F202 HydrophobicContact CZ-CG 4.12Å; F198-F202 WeakPolarHBondContact O-CB 3.3Å; F198-F202 PolarHBondContact O-N 3.2Å; F198-I219 HydrophobicContact CE1-CD1 3.64Å; F198-I219 HydrophobicContact CE1-CG1 4.46Å; F198-I219 HydrophobicContact CZ-CD1 4.19Å; F198-L394 HydrophobicContact CB-CD1 4.07Å; F198-L394 HydrophobicContact CD1-CD1 3.92Å; F198-L394 HydrophobicContact CG-CD1 4.4Å
199P97.3Very high96.9Very high4 Ų434.4 Ų34.43%0.02617%0.17CC..Hα-helixtrans-58.5-34.8179.7-28.438.6000113.8R196 N203 P386 D387 S390 E391 L394R196-P199 WeakPolarHBondContact O-CD 3.12Å; P199-N203 WeakPolarHBondContact O-CB 3.5Å; P199-N203 PolarHBondContact O-N 3.01Å; P199-P386 HydrophobicContact CB-CB 3.74Å; P199-D387 PolarHBondContact O-N 3.21Å; P199-S390 WeakPolarHBondContact CA-OG 3.32Å; P199-S390 WeakPolarHBondContact CB-OG 3.47Å; P199-E391 HydrophobicContact CB-CB 4.05Å; P199-E391 HydrophobicContact CG-CB 3.88Å; P199-L394 HydrophobicContact CG-CD1 3.84Å
200V97.5Very high96.6Very high1 Ų136.1 Ų36.11%0.00618%0.182CC..Hα-helixtrans-69.3-48.3175.8179.60000110.3L163 L197 F198 F202 N203 L204 G300 V302 L384 P386L163-V200 HydrophobicContact CD1-CG1 4Å; L197-V200 HydrophobicContact CD1-CB 4.26Å; L197-V200 HydrophobicContact CD1-CG2 4.45Å; L197-V200 PolarHBondContact O-N 3.22Å; L197-V200 VanDerWaalsContact O-N 3.12Å; F198-V200 PolarHBondContact O-N 2.97Å; V200-F202 VanDerWaalsContact C-N 3.34Å; V200-F202 PolarHBondContact O-N 3.03Å; V200-N203 PolarHBondContact O-N 2.97Å; V200-L204 WeakPolarHBondContact O-CG 3.08Å; V200-L204 PolarHBondContact O-N 3.39Å; V200-G300 WeakPolarHBondContact CG2-O 3.33Å; V200-V302 HydrophobicContact CG1-CB 4.15Å; V200-V302 HydrophobicContact CG1-CG2 3.94Å; V200-V302 HydrophobicContact CG2-CG2 4.32Å; V200-L384 HydrophobicContact CG1-CB 3.69Å; V200-P386 HydrophobicContact CG2-CB 3.97Å
201A97.5Very high96.4Very high17 Ų1742.2 Ų42.214%0.1421%0.211CC..Hα-helixtrans-60-44.6178.100000111.8L158 L163 L197 F198 N203 L204L158-A201 HydrophobicContact CD1-CB 4.26Å; L158-A201 HydrophobicContact CD2-CB 3.79Å; L163-A201 HydrophobicContact CD2-CB 3.84Å; L197-A201 PolarHBondContact O-N 3.39Å; F198-A201 PolarHBondContact O-N 2.92Å; F198-A201 VanDerWaalsContact O-N 3.11Å; A201-N203 PolarHBondContact O-N 3.28Å; A201-L204 WeakPolarHBondContact O-CB 3.43Å; A201-L204 PolarHBondContact O-N 2.91Å
202F97.7Very high96.1Very high29 Ų2945 Ų4513%0.12722%0.223CC..Hα-helixtrans-63-41.8178.3-176-119.8000111.6F198 V200 L204 V205 K206 M209 I217 D387F198-F202 HydrophobicContact CD1-CB 4.49Å; F198-F202 HydrophobicContact CE1-CB 4.06Å; F198-F202 HydrophobicContact CE1-CG 4.3Å; F198-F202 HydrophobicContact CE2-CB 4.39Å; F198-F202 HydrophobicContact CZ-CB 4Å; F198-F202 HydrophobicContact CZ-CD2 4.25Å; F198-F202 HydrophobicContact CZ-CG 4.12Å; F198-F202 WeakPolarHBondContact O-CB 3.3Å; F198-F202 PolarHBondContact O-N 3.2Å; V200-F202 VanDerWaalsContact C-N 3.34Å; V200-F202 PolarHBondContact O-N 3.03Å; F202-L204 PolarHBondContact O-N 3.44Å; F202-V205 WeakPolarHBondContact O-CG2 3.1Å; F202-V205 PolarHBondContact O-N 3.2Å; F202-V205 VanDerWaalsContact O-N 3.08Å; F202-K206 HydrophobicContact CD1-CB 4.38Å; F202-K206 HydrophobicContact CE1-CB 4.06Å; F202-K206 HydrophobicContact CE2-CB 4.26Å; F202-K206 HydrophobicContact CZ-CB 3.99Å; F202-K206 WeakPolarHBondContact O-CB 3.49Å; F202-K206 PolarHBondContact O-N 3.16Å; F202-M209 HydrophobicContact CE2-CE 4.43Å; F202-M209 HydrophobicContact CE2-SD 3.95Å; F202-I217 HydrophobicContact CE2-CD1 3.52Å; F202-I217 HydrophobicContact CZ-CD1 3.68Å; F202-D387 HydrophobicContact CD1-CB 4.05Å
203N97.2Very high95.9Very high43 Ų4345.6 Ų45.623%0.2323%0.227CC..Hα-helixtrans-59.7-29.2178.5-162.740.2000113.6P199 V200 A201 V205 K206 L385 D387P199-N203 WeakPolarHBondContact O-CB 3.5Å; P199-N203 PolarHBondContact O-N 3.01Å; V200-N203 PolarHBondContact O-N 2.97Å; A201-N203 PolarHBondContact O-N 3.28Å; N203-V205 VanDerWaalsContact C-N 3.33Å; N203-V205 PolarHBondContact O-N 2.93Å; N203-K206 WeakPolarHBondContact OD1-CD 3.37Å; N203-K206 WeakPolarHBondContact OD1-CE 3.44Å; N203-K206 PolarHBondContact OD1-NZ 2.85Å; N203-L385 VanDerWaalsContact CB-O 3.29Å; N203-L385 WeakPolarHBondContact CB-O 3.27Å; N203-L385 PolarHBondContact ND2-O 3.13Å; N203-D387 HydrophobicContact CB-CB 3.92Å
204L97.2Very high95.8Very high25 Ų2548.2 Ų48.213%0.13124%0.237CC..Hα-helixtrans-71.5-25.9178.2-64.7169.7000113.6L163 V168 Q172 V200 A201 F202 L384L163-L204 HydrophobicContact CD2-CD1 3.84Å; V168-L204 HydrophobicContact CG1-CB 3.85Å; V168-L204 HydrophobicContact CG1-CD1 4.15Å; V168-L204 HydrophobicContact CG1-CG 4.46Å; V168-L204 HydrophobicContact CG2-CD1 3.96Å; Q172-L204 PolarHBondContact NE2-O 3.44Å; V200-L204 WeakPolarHBondContact O-CG 3.08Å; V200-L204 PolarHBondContact O-N 3.39Å; A201-L204 WeakPolarHBondContact O-CB 3.43Å; A201-L204 PolarHBondContact O-N 2.91Å; F202-L204 PolarHBondContact O-N 3.44Å; L204-L384 HydrophobicContact CD1-CD1 4.21Å; L204-L384 HydrophobicContact CD2-CB 4.42Å; L204-L384 HydrophobicContact CD2-CD1 4.36Å; L204-L384 HydrophobicContact CD2-CD2 4Å; L204-L384 HydrophobicContact CD2-CG 4.48Å
205V96.3Very high95.8Very high18 Ų1855.6 Ų55.611%0.10926%0.262CS..Hα-helixtrans-113.1-19.6-175.4-630000113.2Q172 F175 F202 N203 S207 F208 M209Q172-V205 HydrophobicContact CG-CG1 4.24Å; F175-V205 HydrophobicContact CD2-CB 3.88Å; F175-V205 HydrophobicContact CD2-CG1 4.26Å; F175-V205 HydrophobicContact CD2-CG2 4.44Å; F175-V205 HydrophobicContact CE2-CB 3.99Å; F175-V205 HydrophobicContact CE2-CG1 4.26Å; F175-V205 HydrophobicContact CE2-CG2 4.1Å; F202-V205 WeakPolarHBondContact O-CG2 3.1Å; F202-V205 PolarHBondContact O-N 3.2Å; F202-V205 VanDerWaalsContact O-N 3.08Å; N203-V205 VanDerWaalsContact C-N 3.33Å; N203-V205 PolarHBondContact O-N 2.93Å; V205-S207 PolarHBondContact O-N 3Å; V205-S207 VanDerWaalsContact O-N 3.11Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 2.95Å; V205-M209 HydrophobicContact CB-CE 4.46Å; V205-M209 HydrophobicContact CG2-CE 3.91Å
206K95.3Very high95.8Very high53 Ų5354.9 Ų54.923%0.2326%0.255CS..G310 helixtrans-55.3-37.3-172.775.8-179.7-169-164.70113.2F202 N203 F208 M209 R214 D387F202-K206 HydrophobicContact CD1-CB 4.38Å; F202-K206 HydrophobicContact CE1-CB 4.06Å; F202-K206 HydrophobicContact CE2-CB 4.26Å; F202-K206 HydrophobicContact CZ-CB 3.99Å; F202-K206 WeakPolarHBondContact O-CB 3.49Å; F202-K206 PolarHBondContact O-N 3.16Å; N203-K206 WeakPolarHBondContact OD1-CD 3.37Å; N203-K206 WeakPolarHBondContact OD1-CE 3.44Å; N203-K206 PolarHBondContact OD1-NZ 2.85Å; K206-F208 PolarHBondContact O-N 3.31Å; K206-F208 VanDerWaalsContact O-N 3.15Å; K206-M209 WeakPolarHBondContact O-CB 3.42Å; K206-M209 PolarHBondContact O-N 3Å; K206-R214 PolarHBondContact O-NE 2.91Å; K206-R214 PolarHBondContact O-NH2 3.19Å; K206-D387 HydrophobicContact CD-CB 4.36Å; K206-D387 WeakPolarHBondContact CD-OD1 3.39Å; K206-D387 IonicContact NZ-OD1 2.71Å; K206-D387 PolarHBondContact NZ-OD1 3.22Å
207S95.2Very high96Very high83 Ų8345.8 Ų45.858%0.5822%0.222SC*.G310 helixtrans-64.2-18.7-178.756.10000113.5V205V205-S207 PolarHBondContact O-N 3Å; V205-S207 VanDerWaalsContact O-N 3.11Å
208F96Very high96.1Very high75 Ų7546.7 Ų46.733%0.32923%0.228SC..G310 helixtrans-91.81.1177.3-61.2-92.8000112.9Q172 F175 E179 V205 K206Q172-F208 HydrophobicContact CB-CD1 4.25Å; Q172-F208 HydrophobicContact CB-CD2 3.89Å; Q172-F208 HydrophobicContact CB-CE1 4.04Å; Q172-F208 HydrophobicContact CB-CE2 3.67Å; Q172-F208 HydrophobicContact CB-CG 4.18Å; Q172-F208 HydrophobicContact CB-CZ 3.74Å; Q172-F208 HydrophobicContact CG-CD2 3.74Å; Q172-F208 HydrophobicContact CG-CE2 3.42Å; Q172-F208 VanDerWaalsContact CG-CE2 3.42Å; Q172-F208 HydrophobicContact CG-CZ 3.94Å; Q172-F208 WeakPolarHBondContact O-CD1 3.29Å; F175-F208 HydrophobicContact CB-CB 3.81Å; E179-F208 VanDerWaalsContact CG-O 3.26Å; E179-F208 WeakPolarHBondContact CG-O 3.41Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 2.95Å; K206-F208 PolarHBondContact O-N 3.31Å; K206-F208 VanDerWaalsContact O-N 3.15Å
209M94.8Very high96.1Very high10 Ų1047.7 Ų47.75%0.04923%0.234CC..SBendtrans-106.8140.6175.4-59.5168.8-178.700109.9F175 E179 F202 V205 K206 T213 R214 I217F175-M209 HydrophobicContact CD1-CE 3.74Å; F175-M209 HydrophobicContact CD1-CG 4.23Å; F175-M209 HydrophobicContact CD2-CE 3.79Å; F175-M209 HydrophobicContact CE1-CE 3.46Å; F175-M209 VanDerWaalsContact CE1-CE 3.46Å; F175-M209 HydrophobicContact CE2-CE 3.5Å; F175-M209 VanDerWaalsContact CE2-CE 3.5Å; F175-M209 HydrophobicContact CG-CE 3.92Å; F175-M209 HydrophobicContact CG-CG 4.32Å; F175-M209 HydrophobicContact CZ-CE 3.33Å; E179-M209 WeakPolarHBondContact OE1-CA 3.38Å; F202-M209 HydrophobicContact CE2-CE 4.43Å; F202-M209 HydrophobicContact CE2-SD 3.95Å; V205-M209 HydrophobicContact CB-CE 4.46Å; V205-M209 HydrophobicContact CG2-CE 3.91Å; K206-M209 WeakPolarHBondContact O-CB 3.42Å; K206-M209 PolarHBondContact O-N 3Å; M209-T213 HydrophobicContact CB-CG2 4.04Å; M209-T213 HydrophobicContact CG-CG2 4.17Å; M209-T213 HydrophobicContact SD-CG2 4.45Å; M209-R214 HydrophobicContact CB-CG 3.98Å; M209-R214 PolarHBondContact O-NE 3.24Å; M209-R214 VanDerWaalsContact O-NE 3.17Å; M209-R214 PolarHBondContact O-NH2 2.97Å; M209-I217 HydrophobicContact SD-CD1 4.12Å
210S93.5Very high96.1Very high42 Ų4248.2 Ų48.229%0.29424%0.236SC..  trans-68.4162.6171.963.30000111.1E179 E212 T213 R214E179-S210 PolarHBondContact OE1-N 3.31Å; E179-S210 PolarHBondContact OE1-OG 3.3Å; E179-S210 WeakPolarHBondContact OE2-CB 3.22Å; E179-S210 PolarHBondContact OE2-OG 3.29Å; S210-E212 PolarHBondContact O-N 3.1Å; S210-T213 PolarHBondContact O-N 2.93Å; S210-T213 PolarHBondContact OG-N 3.39Å; S210-T213 PolarHBondContact OG-OG1 3.44Å; S210-R214 WeakPolarHBondContact O-CG 3.44Å; S210-R214 PolarHBondContact O-N 2.95Å
211E93.1Very high96Very high128 Ų12848.8 Ų48.860%0.59824%0.242SC*.Hα-helixtrans-59-38.3174.1-168.2-177.3168.600111.4R214 R215E211-R214 PolarHBondContact O-N 2.71Å; E211-R215 VanDerWaalsContact CD-NH2 3.33Å; E211-R215 VanDerWaalsContact O-CG 3.3Å; E211-R215 WeakPolarHBondContact O-CG 3.42Å; E211-R215 PolarHBondContact O-N 3.34Å; E211-R215 IonicContact OE1-CZ 3.65Å; E211-R215 VanDerWaalsContact OE1-CZ 3.31Å; E211-R215 IonicContact OE1-NE 3.91Å; E211-R215 PolarHBondContact OE1-NE 2.93Å; E211-R215 IonicContact OE1-NH2 2.75Å; E211-R215 PolarHBondContact OE1-NH2 2.94Å; E211-R215 IonicContact OE2-NH2 3.7Å
212E92.1Very high95.8Very high66 Ų6652.2 Ų52.231%0.30826%0.258SS..Hα-helixtrans-61.7-47.6177.6-175.260.3-162.900111.9S210 R214 R215 K216S210-E212 PolarHBondContact O-N 3.1Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 2.85Å; E212-R215 PolarHBondContact O-N 3.18Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 2.63Å; E212-K216 WeakPolarHBondContact OE1-CE 3.2Å; E212-K216 IonicContact OE1-NZ 3.94Å
213T94.8Very high95.6Very high13 Ų1354.5 Ų54.58%0.0827%0.272CS..Hα-helixtrans-59.3-44174.1-660000111.6E179 L186 M209 S210 R215 K216E179-T213 WeakPolarHBondContact OE1-CB 3.33Å; E179-T213 PolarHBondContact OE1-OG1 2.83Å; L186-T213 HydrophobicContact CD2-CG2 3.87Å; M209-T213 HydrophobicContact CB-CG2 4.04Å; M209-T213 HydrophobicContact CG-CG2 4.17Å; M209-T213 HydrophobicContact SD-CG2 4.45Å; S210-T213 PolarHBondContact O-N 2.93Å; S210-T213 PolarHBondContact OG-N 3.39Å; S210-T213 PolarHBondContact OG-OG1 3.44Å; T213-R215 VanDerWaalsContact C-N 3.33Å; T213-R215 PolarHBondContact O-N 3.43Å; T213-K216 PolarHBondContact O-N 3.05Å; T213-K216 VanDerWaalsContact O-N 3.12Å
214R96.1Very high95.6Very high102 Ų10253.8 Ų53.839%0.38527%0.266SS..Hα-helixtrans-63.9-36.2179.5-67.5178-156.8164.912.4112.5K206 M209 S210 E211 E212 K216 I217K206-R214 PolarHBondContact O-NE 2.91Å; K206-R214 PolarHBondContact O-NH2 3.19Å; M209-R214 HydrophobicContact CB-CG 3.98Å; M209-R214 PolarHBondContact O-NE 3.24Å; M209-R214 VanDerWaalsContact O-NE 3.17Å; M209-R214 PolarHBondContact O-NH2 2.97Å; S210-R214 WeakPolarHBondContact O-CG 3.44Å; S210-R214 PolarHBondContact O-N 2.95Å; E211-R214 PolarHBondContact O-N 2.71Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 2.85Å; R214-K216 PolarHBondContact O-N 2.96Å; R214-I217 WeakPolarHBondContact O-CB 3.43Å; R214-I217 PolarHBondContact O-N 3.11Å
215R96.3Very high95.6Very high170 Ų17056.9 Ų56.964%0.64228%0.279SS*.Hα-helixtrans-65.4-25.6175.4-72.9171.3-176.7-178.2-0.6112.9E211 E212 T213 I217E211-R215 VanDerWaalsContact CD-NH2 3.33Å; E211-R215 VanDerWaalsContact O-CG 3.3Å; E211-R215 WeakPolarHBondContact O-CG 3.42Å; E211-R215 PolarHBondContact O-N 3.34Å; E211-R215 IonicContact OE1-CZ 3.65Å; E211-R215 VanDerWaalsContact OE1-CZ 3.31Å; E211-R215 IonicContact OE1-NE 3.91Å; E211-R215 PolarHBondContact OE1-NE 2.93Å; E211-R215 IonicContact OE1-NH2 2.75Å; E211-R215 PolarHBondContact OE1-NH2 2.94Å; E211-R215 IonicContact OE2-NH2 3.7Å; E212-R215 PolarHBondContact O-N 3.18Å; T213-R215 VanDerWaalsContact C-N 3.33Å; T213-R215 PolarHBondContact O-N 3.43Å; R215-I217 VanDerWaalsContact C-N 3.31Å
216K97.1Very high95.6Very high24 Ų2462.5 Ų62.510%0.10430%0.304CS..THydrogen-bonded Turntrans-84.1-4.2177.7-66.2171.2179.2174.20113.5E184 L186 N188 L189 E212 T213 R214E184-K216 IonicContact OE2-NZ 3.61Å; E184-K216 PolarHBondContact OE2-NZ 2.87Å; L186-K216 HydrophobicContact CB-CD 4.46Å; L186-K216 HydrophobicContact CD2-CB 4.26Å; L186-K216 HydrophobicContact CD2-CD 4.46Å; L186-K216 HydrophobicContact CG-CD 4.39Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.41Å; L186-K216 WeakPolarHBondContact O-CE 3.27Å; L186-K216 PolarHBondContact O-NZ 2.88Å; N188-K216 WeakPolarHBondContact CA-O 3.45Å; L189-K216 PolarHBondContact N-O 3.06Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 2.63Å; E212-K216 WeakPolarHBondContact OE1-CE 3.2Å; E212-K216 IonicContact OE1-NZ 3.94Å; T213-K216 PolarHBondContact O-N 3.05Å; T213-K216 VanDerWaalsContact O-N 3.12Å; R214-K216 PolarHBondContact O-N 2.96Å
217I97.9Very high95.7Very high30 Ų3062 Ų6215%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-76.8126.4176.7-60.6175.2000109.6L189 I191 F202 M209 R214 R215 I219L189-I217 HydrophobicContact CB-CG1 4.25Å; L189-I217 HydrophobicContact CD2-CG1 4.48Å; L189-I217 CarbonylContact O-C 3.59Å; L189-I217 VanDerWaalsContact O-CA 3.3Å; L189-I217 WeakPolarHBondContact O-CA 3.41Å; I191-I217 HydrophobicContact CG1-CG2 4.01Å; F202-I217 HydrophobicContact CE2-CD1 3.52Å; F202-I217 HydrophobicContact CZ-CD1 3.68Å; M209-I217 HydrophobicContact SD-CD1 4.12Å; R214-I217 WeakPolarHBondContact O-CB 3.43Å; R214-I217 PolarHBondContact O-N 3.11Å; R215-I217 VanDerWaalsContact C-N 3.31Å; I217-I219 HydrophobicContact CG2-CG1 4.23Å
218V97.9Very high95.9Very high41 Ų4158.1 Ų58.125%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-121.2116.7176.5-177.50000108.3L189 I190 I191 L220 F231L189-V218 PolarHBondContact O-N 3.29Å; I190-V218 CarbonylContact C-O 3.4Å; I190-V218 WeakPolarHBondContact CA-O 3.31Å; I191-V218 PolarHBondContact N-O 2.99Å; V218-L220 HydrophobicContact CG1-CD2 3.75Å; V218-F231 HydrophobicContact CG1-CZ 4.24Å
219I97.9Very high95.9Very high28 Ų2856.2 Ų56.214%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-96.8119.6176.6-54.7174.6000108.5I191 A194 F198 I217 T393 L394 L397I191-I219 HydrophobicContact CB-CB 4.46Å; I191-I219 HydrophobicContact CB-CG1 4.15Å; I191-I219 HydrophobicContact CB-CG2 4.43Å; I191-I219 HydrophobicContact CG1-CG1 4.16Å; I191-I219 HydrophobicContact CG2-CG2 4.46Å; A194-I219 HydrophobicContact CB-CG2 4.5Å; F198-I219 HydrophobicContact CE1-CD1 3.64Å; F198-I219 HydrophobicContact CE1-CG1 4.46Å; F198-I219 HydrophobicContact CZ-CD1 4.19Å; I217-I219 HydrophobicContact CG2-CG1 4.23Å; I219-T393 HydrophobicContact CB-CG2 4.26Å; I219-T393 HydrophobicContact CD1-CG2 4.14Å; I219-L394 HydrophobicContact CG2-CD2 3.7Å; I219-L397 HydrophobicContact CB-CD1 4.27Å; I219-L397 HydrophobicContact CG2-CD1 3.86Å; I219-L397 WeakPolarHBondContact O-CD1 3.41Å
220L97.1Very high96.1Very high14 Ų1461.8 Ų61.87%0.07329%0.293CS..  trans-93.5142.7179.2-57.8-174.9000111.4I190 I191 I192 V218 W224 E227 L228I190-L220 HydrophobicContact CG2-CD1 3.5Å; I190-L220 HydrophobicContact CG2-CG 3.78Å; I191-L220 PolarHBondContact O-N 3.22Å; I192-L220 HydrophobicContact CG2-CB 4.37Å; I192-L220 HydrophobicContact CG2-CD1 3.95Å; I192-L220 HydrophobicContact CG2-CG 4.45Å; V218-L220 HydrophobicContact CG1-CD2 3.75Å; L220-W224 HydrophobicContact CB-CB 3.68Å; L220-W224 HydrophobicContact CD1-CB 4.27Å; L220-E227 HydrophobicContact CD1-CB 3.91Å; L220-E227 HydrophobicContact CD2-CB 3.91Å; L220-E227 HydrophobicContact CG-CB 4.42Å; L220-L228 HydrophobicContact CD1-CB 4.32Å
221G94.6Very high96.3Very high13 Ų1362.1 Ų62.113%0.13429%0.29CS..  trans-82-155.8177.300000113.3N223 W224G221-N223 VanDerWaalsContact C-N 3.26Å; G221-N223 PolarHBondContact O-N 2.97Å; G221-W224 VanDerWaalsContact O-CB 3.27Å; G221-W224 WeakPolarHBondContact O-CB 3.27Å; G221-W224 PolarHBondContact O-N 3.44Å; G221-W224 VanDerWaalsContact O-N 3.14Å
222D93.3Very high96.5Very high89 Ų8956 Ų5648%0.47626%0.261SS..THydrogen-bonded Turntrans-68.6-23.8-175.6-60.4-52.4000113.5W224 R401D222-W224 PolarHBondContact O-N 3.46Å; D222-R401 VanDerWaalsContact CG-NH2 3.3Å; D222-R401 IonicContact OD1-CZ 2.64Å; D222-R401 IonicContact OD1-NH2 2.66Å; D222-R401 PolarHBondContact OD1-NH2 3.47Å; D222-R401 WeakPolarHBondContact OD2-CG 3.48Å; D222-R401 IonicContact OD2-CZ 3.34Å; D222-R401 IonicContact OD2-NE 3.21Å; D222-R401 PolarHBondContact OD2-NE 2.62Å; D222-R401 IonicContact OD2-NH2 3.27Å; D222-R401 PolarHBondContact OD2-NH2 3.5Å
223N94.7Very high96.8Very high78 Ų7853.7 Ų53.742%0.41725%0.252SS..THydrogen-bonded Turntrans-8320173.869.7-27.7000113.1G221 K225 Q226 E227G221-N223 VanDerWaalsContact C-N 3.26Å; G221-N223 PolarHBondContact O-N 2.97Å; N223-K225 PolarHBondContact O-N 3.18Å; N223-K225 VanDerWaalsContact O-N 3.07Å; N223-Q226 PolarHBondContact O-N 2.93Å; N223-E227 WeakPolarHBondContact ND2-CG 3.26Å; N223-E227 PolarHBondContact ND2-OE1 3.12Å; N223-E227 VanDerWaalsContact ND2-OE1 3.08Å; N223-E227 PolarHBondContact O-N 3.37Å
224W97.3Very high97Very high28 Ų2855.7 Ų55.711%0.10627%0.265CS..Hα-helixtrans-51.7-34.4-174.461.8-90.3000114I192 R193 L220 G221 D222 E227 L228 F241I192-W224 HydrophobicContact CB-CB 4.27Å; I192-W224 HydrophobicContact CB-CD2 4.25Å; I192-W224 HydrophobicContact CB-CE3 4.14Å; I192-W224 HydrophobicContact CB-CG 4.32Å; I192-W224 HydrophobicContact CD1-CE3 3.82Å; I192-W224 HydrophobicContact CD1-CH2 4.4Å; I192-W224 HydrophobicContact CD1-CZ3 3.74Å; I192-W224 HydrophobicContact CG2-CB 4.09Å; I192-W224 HydrophobicContact CG2-CE3 4.17Å; R193-W224 HydrophobicContact CG-CD2 4.29Å; R193-W224 HydrophobicContact CG-CZ2 3.92Å; L220-W224 HydrophobicContact CB-CB 3.68Å; L220-W224 HydrophobicContact CD1-CB 4.27Å; G221-W224 VanDerWaalsContact O-CB 3.27Å; G221-W224 WeakPolarHBondContact O-CB 3.27Å; G221-W224 PolarHBondContact O-N 3.44Å; G221-W224 VanDerWaalsContact O-N 3.14Å; D222-W224 PolarHBondContact O-N 3.46Å; W224-E227 PolarHBondContact O-N 3.27Å; W224-L228 WeakPolarHBondContact O-CB 3.39Å; W224-L228 PolarHBondContact O-N 3.25Å; W224-F241 HydrophobicContact CH2-CD1 4.45Å; W224-F241 HydrophobicContact CZ3-CB 4.35Å; W224-F241 HydrophobicContact CZ3-CD1 4.12Å
225K97.4Very high97.1Very high90 Ų9055 Ų5539%0.39127%0.269SS..Hα-helixtrans-59.7-49.5176.2-75.2-168.6173.4-163.60111.5N223 L228 T229 E240N223-K225 PolarHBondContact O-N 3.18Å; N223-K225 VanDerWaalsContact O-N 3.07Å; K225-L228 PolarHBondContact O-N 3.29Å; K225-T229 WeakPolarHBondContact O-CG2 3.19Å; K225-T229 PolarHBondContact O-N 3.41Å; K225-E240 VanDerWaalsContact CE-O 3.26Å; K225-E240 WeakPolarHBondContact CE-O 3.18Å; K225-E240 PolarHBondContact NZ-O 3.38Å; K225-E240 VanDerWaalsContact NZ-O 3.08Å
226Q96.6Very high97.2Very high136 Ų13649.3 Ų49.364%0.63625%0.25SS*.Hα-helixtrans-68.1-41.5179.2-168.5179.610.900111.2N223 L228 T229N223-Q226 PolarHBondContact O-N 2.93Å; Q226-L228 PolarHBondContact O-N 3.04Å; Q226-T229 PolarHBondContact O-N 2.72Å; Q226-T229 PolarHBondContact O-OG1 3.15Å
227E97.2Very high97.2Very high43 Ų4348.2 Ų48.220%0.20125%0.245CC..Hα-helixtrans-65-37.6177.4-67.2-61.7133.500112.5L220 N223 W224 T229 K230 F231L220-E227 HydrophobicContact CD1-CB 3.91Å; L220-E227 HydrophobicContact CD2-CB 3.91Å; L220-E227 HydrophobicContact CG-CB 4.42Å; N223-E227 WeakPolarHBondContact ND2-CG 3.26Å; N223-E227 PolarHBondContact ND2-OE1 3.12Å; N223-E227 VanDerWaalsContact ND2-OE1 3.08Å; N223-E227 PolarHBondContact O-N 3.37Å; W224-E227 PolarHBondContact O-N 3.27Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 3.34Å; E227-K230 VanDerWaalsContact O-CB 3.23Å; E227-K230 WeakPolarHBondContact O-CB 3.3Å; E227-K230 WeakPolarHBondContact O-CG 3.28Å; E227-K230 PolarHBondContact O-N 3Å; E227-K230 WeakPolarHBondContact OE1-CE 3.14Å; E227-K230 IonicContact OE1-NZ 3.56Å; E227-K230 PolarHBondContact OE1-NZ 3.22Å; E227-K230 WeakPolarHBondContact OE2-CD 3.35Å; E227-K230 WeakPolarHBondContact OE2-CE 3.3Å; E227-K230 IonicContact OE2-NZ 2.67Å; E227-K230 PolarHBondContact OE2-NZ 2.62Å; E227-F231 WeakPolarHBondContact O-CD2 3.32Å
228L97.8Very high97.3Very high0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-64.3-32.2179.6-170.161.5000111.9V152 I190 L220 W224 K225 Q226 K230 F231 I232 L237 F241V152-L228 HydrophobicContact CG1-CD2 4.44Å; V152-L228 HydrophobicContact CG2-CD1 4.12Å; I190-L228 HydrophobicContact CD1-CD1 3.86Å; I190-L228 HydrophobicContact CG2-CD1 4.08Å; L220-L228 HydrophobicContact CD1-CB 4.32Å; W224-L228 WeakPolarHBondContact O-CB 3.39Å; W224-L228 PolarHBondContact O-N 3.25Å; K225-L228 PolarHBondContact O-N 3.29Å; Q226-L228 PolarHBondContact O-N 3.04Å; L228-K230 PolarHBondContact O-N 3.01Å; L228-F231 PolarHBondContact O-N 3.42Å; L228-I232 HydrophobicContact CD1-CD1 4.15Å; L228-I232 HydrophobicContact CG-CD1 4.39Å; L228-I232 PolarHBondContact O-N 3.23Å; L228-I232 VanDerWaalsContact O-N 3.1Å; L228-L237 HydrophobicContact CD2-CD1 3.79Å; L228-L237 HydrophobicContact CD2-CD2 4.19Å; L228-L237 HydrophobicContact CG-CD1 4.2Å; L228-L237 HydrophobicContact CG-CD2 4.17Å; L228-F241 HydrophobicContact CD2-CB 4.03Å
229T97.4Very high97.3Very high35 Ų3547.6 Ų47.622%0.21524%0.243CC..THydrogen-bonded Turntrans-66.1-14.2174.767.10000114.3Y93 K225 Q226 E227 F231 I232 P234 L237Y93-T229 WeakPolarHBondContact CE2-O 3.38Å; Y93-T229 PolarHBondContact OH-O 3.02Å; K225-T229 WeakPolarHBondContact O-CG2 3.19Å; K225-T229 PolarHBondContact O-N 3.41Å; Q226-T229 PolarHBondContact O-N 2.72Å; Q226-T229 PolarHBondContact O-OG1 3.15Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 3.34Å; T229-F231 VanDerWaalsContact C-N 3.28Å; T229-I232 CarbonylContact C-O 3.47Å; T229-I232 VanDerWaalsContact CA-O 3.28Å; T229-I232 WeakPolarHBondContact CA-O 3.25Å; T229-I232 VanDerWaalsContact O-O 3.05Å; T229-P234 HydrophobicContact CG2-CG 4.48Å; T229-L237 HydrophobicContact CG2-CD2 4.06Å
230K97.6Very high97.3Very high127 Ų12748.4 Ų48.455%0.55225%0.246SC*.THydrogen-bonded Turntrans-74.3-22.7171.7-57.9179.7-176.8171.30112.1E227 L228E227-K230 VanDerWaalsContact O-CB 3.23Å; E227-K230 WeakPolarHBondContact O-CB 3.3Å; E227-K230 WeakPolarHBondContact O-CG 3.28Å; E227-K230 PolarHBondContact O-N 3Å; E227-K230 WeakPolarHBondContact OE1-CE 3.14Å; E227-K230 IonicContact OE1-NZ 3.56Å; E227-K230 PolarHBondContact OE1-NZ 3.22Å; E227-K230 WeakPolarHBondContact OE2-CD 3.35Å; E227-K230 WeakPolarHBondContact OE2-CE 3.3Å; E227-K230 IonicContact OE2-NZ 2.67Å; E227-K230 PolarHBondContact OE2-NZ 2.62Å; L228-K230 PolarHBondContact O-N 3.01Å
231F97.9Very high97.4Very high50 Ų5047.8 Ų47.822%0.21924%0.243CC..THydrogen-bonded Turntrans-95.8-39.3177.5-62.2-90.5000111.5D92 Y93 L150 I190 V218 E227 L228 T229D92-F231 VanDerWaalsContact CB-O 3.3Å; D92-F231 WeakPolarHBondContact CB-O 3.31Å; Y93-F231 VanDerWaalsContact CD2-O 3.27Å; Y93-F231 WeakPolarHBondContact CD2-O 3.31Å; L150-F231 HydrophobicContact CD1-CB 4.02Å; L150-F231 HydrophobicContact CD1-CD1 4.37Å; I190-F231 HydrophobicContact CD1-CB 3.89Å; I190-F231 HydrophobicContact CD1-CD1 3.71Å; I190-F231 HydrophobicContact CD1-CD2 3.62Å; I190-F231 HydrophobicContact CD1-CE1 4.11Å; I190-F231 HydrophobicContact CD1-CE2 4.03Å; I190-F231 HydrophobicContact CD1-CG 3.45Å; I190-F231 VanDerWaalsContact CD1-CG 3.45Å; I190-F231 HydrophobicContact CD1-CZ 4.26Å; V218-F231 HydrophobicContact CG1-CZ 4.24Å; E227-F231 WeakPolarHBondContact O-CD2 3.32Å; L228-F231 PolarHBondContact O-N 3.42Å; T229-F231 VanDerWaalsContact C-N 3.28Å
232I98.4Very high97.5Very high0 Ų048.5 Ų48.50%025%0.25CC..BIsolated β-bridgetrans-125.7133.5-171.9-53.4164.2000108.6V98 L150 V152 L228 T229 Q236 L237V98-I232 HydrophobicContact CB-CD1 4.42Å; V98-I232 HydrophobicContact CG1-CD1 3.77Å; V98-I232 HydrophobicContact CG2-CD1 3.85Å; V98-I232 HydrophobicContact CG2-CG1 3.96Å; L150-I232 HydrophobicContact CD2-CD1 4.14Å; V152-I232 HydrophobicContact CG2-CD1 4.23Å; L228-I232 HydrophobicContact CD1-CD1 4.15Å; L228-I232 HydrophobicContact CG-CD1 4.39Å; L228-I232 PolarHBondContact O-N 3.23Å; L228-I232 VanDerWaalsContact O-N 3.1Å; T229-I232 CarbonylContact C-O 3.47Å; T229-I232 VanDerWaalsContact CA-O 3.28Å; T229-I232 WeakPolarHBondContact CA-O 3.25Å; T229-I232 VanDerWaalsContact O-O 3.05Å; I232-Q236 HydrophobicContact CG2-CB 3.86Å; I232-L237 HydrophobicContact CB-CB 4.44Å; I232-L237 HydrophobicContact CB-CD1 4.5Å; I232-L237 HydrophobicContact CD1-CD1 4Å; I232-L237 HydrophobicContact CG2-CB 3.92Å; I232-L237 HydrophobicContact CG2-CD1 4.43Å
233S97.8Very high97.8Very high17 Ų1744.8 Ų44.812%0.11923%0.233CC..  trans-64.5146.1177.468.30000111.1D235 Q236 L237S233-D235 WeakPolarHBondContact CB-OD1 3.44Å; S233-D235 PolarHBondContact O-N 3.26Å; S233-D235 VanDerWaalsContact O-N 3.15Å; S233-D235 PolarHBondContact OG-OD1 2.73Å; S233-Q236 PolarHBondContact O-N 3.36Å; S233-Q236 VanDerWaalsContact OG-CG 3.27Å; S233-Q236 WeakPolarHBondContact OG-CG 3.32Å; S233-L237 PolarHBondContact O-N 2.86Å
234P98.1Very high97.9Very high55 Ų5545.4 Ų45.436%0.35724%0.24SC..G310 helixtrans-56.6-32.5-176.9-28.435.7000114.4T229 Q236 L237 G243 T244T229-P234 HydrophobicContact CG2-CG 4.48Å; P234-Q236 VanDerWaalsContact C-N 3.3Å; P234-L237 PolarHBondContact O-N 3.34Å; P234-L237 VanDerWaalsContact O-O 3.11Å; P234-G243 CarbonylContact O-C 3.52Å; P234-G243 WeakPolarHBondContact O-CA 3.4Å; P234-T244 HydrophobicContact CB-CG2 4.18Å; P234-T244 PolarHBondContact O-N 3.04Å; P234-T244 PolarHBondContact O-OG1 3.1Å
235D98.1Very high98Very high87 Ų8745.3 Ų45.347%0.46524%0.241SC..G310 helixtrans-73.3-21.5177.267.5-66.6000113.3S233 T244 M245S233-D235 WeakPolarHBondContact CB-OD1 3.44Å; S233-D235 PolarHBondContact O-N 3.26Å; S233-D235 VanDerWaalsContact O-N 3.15Å; S233-D235 PolarHBondContact OG-OD1 2.73Å; D235-T244 WeakPolarHBondContact CA-OG1 3.45Å; D235-T244 PolarHBondContact N-OG1 3.37Å; D235-M245 VanDerWaalsContact O-CE 3.32Å; D235-M245 WeakPolarHBondContact O-CE 3.39Å
236Q98.4Very high98.1Very high51 Ų5144 Ų4424%0.23824%0.24CC..G310 helixtrans-94.4-4.3175.7-63.7-55.2-57.800113.1Y91 I232 S233 P234 M245Y91-Q236 VanDerWaalsContact O-CB 3.23Å; Y91-Q236 WeakPolarHBondContact O-CB 3.3Å; I232-Q236 HydrophobicContact CG2-CB 3.86Å; S233-Q236 PolarHBondContact O-N 3.36Å; S233-Q236 VanDerWaalsContact OG-CG 3.27Å; S233-Q236 WeakPolarHBondContact OG-CG 3.32Å; P234-Q236 VanDerWaalsContact C-N 3.3Å; Q236-M245 VanDerWaalsContact C-CE 3.43Å; Q236-M245 VanDerWaalsContact CA-CE 3.47Å; Q236-M245 VanDerWaalsContact O-CE 3.31Å; Q236-M245 WeakPolarHBondContact O-CE 3.18Å
237L98.6Very high98.2Very high0 Ų037.9 Ų37.90%021%0.212CC..SBendtrans-111.6131.1-176.3-177.266.1000110.7F100 L228 T229 I232 S233 P234 F241 G243 T244 M245F100-L237 HydrophobicContact CE1-CD1 4.32Å; F100-L237 HydrophobicContact CZ-CD1 3.78Å; L228-L237 HydrophobicContact CD2-CD1 3.79Å; L228-L237 HydrophobicContact CD2-CD2 4.19Å; L228-L237 HydrophobicContact CG-CD1 4.2Å; L228-L237 HydrophobicContact CG-CD2 4.17Å; T229-L237 HydrophobicContact CG2-CD2 4.06Å; I232-L237 HydrophobicContact CB-CB 4.44Å; I232-L237 HydrophobicContact CB-CD1 4.5Å; I232-L237 HydrophobicContact CD1-CD1 4Å; I232-L237 HydrophobicContact CG2-CB 3.92Å; I232-L237 HydrophobicContact CG2-CD1 4.43Å; S233-L237 PolarHBondContact O-N 2.86Å; P234-L237 PolarHBondContact O-N 3.34Å; P234-L237 VanDerWaalsContact O-O 3.11Å; L237-F241 HydrophobicContact CD1-CB 3.77Å; L237-F241 HydrophobicContact CG-CB 4.15Å; L237-G243 CarbonylContact O-C 3.35Å; L237-G243 VanDerWaalsContact O-CA 3.3Å; L237-G243 WeakPolarHBondContact O-CA 3.32Å; L237-T244 PolarHBondContact O-N 2.99Å; L237-T244 VanDerWaalsContact O-N 3.09Å; L237-M245 VanDerWaalsContact O-CB 3.28Å; L237-M245 WeakPolarHBondContact O-CB 3.49Å; L237-M245 PolarHBondContact O-N 2.76Å
238P98.7Very high98.2Very high0 Ų042 Ų420%024%0.243CC..BIsolated β-bridgetrans-57.9146.8175-24.734.2000112.9E240 F241 G242 G243 M245 C254 I258P238-E240 PolarHBondContact O-N 3.5Å; P238-F241 HydrophobicContact CB-CD2 3.87Å; P238-F241 HydrophobicContact CG-CD2 3.92Å; P238-F241 HydrophobicContact CG-CE2 4.47Å; P238-F241 CarbonylContact O-C 3.56Å; P238-F241 PolarHBondContact O-N 3.27Å; P238-G242 PolarHBondContact O-N 3.39Å; P238-G243 PolarHBondContact O-N 2.94Å; P238-M245 WeakPolarHBondContact CA-O 3.31Å; P238-C254 HydrophobicContact CB-CB 4.37Å; P238-C254 HydrophobicContact CG-CB 4.2Å; P238-I258 HydrophobicContact CG-CD1 3.91Å
239V98.6Very high98.2Very high58 Ų5848.2 Ų48.235%0.35228%0.276SS..G310 helixtrans-55.7-38.3174.9170.60000111.5F241 G242 M245 T246 P252V239-F241 PolarHBondContact O-N 3.34Å; V239-F241 VanDerWaalsContact O-N 3.15Å; V239-G242 PolarHBondContact O-N 2.94Å; V239-M245 PolarHBondContact N-O 3.5Å; V239-T246 HydrophobicContact CG2-CG2 3.79Å; V239-P252 HydrophobicContact CB-CB 3.59Å; V239-P252 HydrophobicContact CG1-CB 3.67Å; V239-P252 PolarHBondContact N-O 2.9Å
240E98.3Very high98.2Very high46 Ų4648.7 Ų48.722%0.21529%0.287CS..G310 helixtrans-49-41173.1175.360-145.600111.9R193 K225 P238 P252 K253R193-E240 IonicContact NH1-OE1 3.2Å; R193-E240 PolarHBondContact NH1-OE1 3.02Å; R193-E240 IonicContact NH2-OE1 3.28Å; K225-E240 VanDerWaalsContact CE-O 3.26Å; K225-E240 WeakPolarHBondContact CE-O 3.18Å; K225-E240 PolarHBondContact NZ-O 3.38Å; K225-E240 VanDerWaalsContact NZ-O 3.08Å; P238-E240 PolarHBondContact O-N 3.5Å; E240-P252 WeakPolarHBondContact CB-O 3.43Å; E240-P252 PolarHBondContact N-O 3.06Å; E240-K253 HydrophobicContact CB-CG 4.24Å; E240-K253 HydrophobicContact CG-CG 4.35Å
241F98.4Very high98.2Very high0 Ų044.6 Ų44.60%027%0.272CS..G310 helixtrans-95.89.7-177.4-60.1-70000114.4F100 I102 D154 I192 W224 L228 L237 P238 V239 I258 Y260F100-F241 HydrophobicContact CD1-CD1 4.4Å; F100-F241 AromaticContact CD1-CD2 3.8Å; F100-F241 HydrophobicContact CD1-CD2 3.8Å; F100-F241 HydrophobicContact CD1-CE1 4.21Å; F100-F241 AromaticContact CD1-CE2 3.6Å; F100-F241 HydrophobicContact CD1-CE2 3.6Å; F100-F241 HydrophobicContact CD1-CG 4.23Å; F100-F241 AromaticContact CD1-CZ 3.84Å; F100-F241 HydrophobicContact CD1-CZ 3.84Å; F100-F241 HydrophobicContact CE1-CB 4.26Å; F100-F241 HydrophobicContact CE1-CD1 4.14Å; F100-F241 AromaticContact CE1-CD2 3.44Å; F100-F241 HydrophobicContact CE1-CD2 3.44Å; F100-F241 VanDerWaalsContact CE1-CD2 3.44Å; F100-F241 HydrophobicContact CE1-CE1 4.41Å; F100-F241 AromaticContact CE1-CE2 3.78Å; F100-F241 HydrophobicContact CE1-CE2 3.78Å; F100-F241 AromaticContact CE1-CG 3.67Å; F100-F241 HydrophobicContact CE1-CG 3.67Å; F100-F241 HydrophobicContact CE1-CZ 4.26Å; F100-F241 HydrophobicContact CG-CE2 4.33Å; F100-F241 HydrophobicContact CZ-CD2 4.12Å; I102-F241 HydrophobicContact CD1-CE1 4.35Å; I102-F241 HydrophobicContact CD1-CZ 3.65Å; D154-F241 HydrophobicContact CB-CE1 4.28Å; I192-F241 HydrophobicContact CD1-CD1 3.66Å; I192-F241 HydrophobicContact CD1-CE1 3.92Å; W224-F241 HydrophobicContact CH2-CD1 4.45Å; W224-F241 HydrophobicContact CZ3-CB 4.35Å; W224-F241 HydrophobicContact CZ3-CD1 4.12Å; L228-F241 HydrophobicContact CD2-CB 4.03Å; L237-F241 HydrophobicContact CD1-CB 3.77Å; L237-F241 HydrophobicContact CG-CB 4.15Å; P238-F241 HydrophobicContact CB-CD2 3.87Å; P238-F241 HydrophobicContact CG-CD2 3.92Å; P238-F241 HydrophobicContact CG-CE2 4.47Å; P238-F241 CarbonylContact O-C 3.56Å; P238-F241 PolarHBondContact O-N 3.27Å; V239-F241 PolarHBondContact O-N 3.34Å; V239-F241 VanDerWaalsContact O-N 3.15Å; F241-I258 HydrophobicContact CE2-CD1 4.06Å; F241-Y260 HydrophobicContact CZ-CE1 4.45Å
242G97.6Very high98.3Very high28 Ų2844.8 Ų44.829%0.28928%0.278SS..THydrogen-bonded Turntrans98.19.617500000115.5P238 V239P238-G242 PolarHBondContact O-N 3.39Å; V239-G242 PolarHBondContact O-N 2.94Å
243G98.3Very high98.3Very high12 Ų1248.8 Ų48.812%0.12430%0.295CS..SBendtrans-96.4-147.1172.400000113.4P234 L237 P238P234-G243 CarbonylContact O-C 3.52Å; P234-G243 WeakPolarHBondContact O-CA 3.4Å; L237-G243 CarbonylContact O-C 3.35Å; L237-G243 VanDerWaalsContact O-CA 3.3Å; L237-G243 WeakPolarHBondContact O-CA 3.32Å; P238-G243 PolarHBondContact O-N 2.94Å
244T98.6Very high98.3Very high91 Ų9148.1 Ų48.156%0.55829%0.29SS*.  trans-133.3-4.9-17559.40000113.1P234 D235 L237P234-T244 HydrophobicContact CB-CG2 4.18Å; P234-T244 PolarHBondContact O-N 3.04Å; P234-T244 PolarHBondContact O-OG1 3.1Å; D235-T244 WeakPolarHBondContact CA-OG1 3.45Å; D235-T244 PolarHBondContact N-OG1 3.37Å; L237-T244 PolarHBondContact O-N 2.99Å; L237-T244 VanDerWaalsContact O-N 3.09Å
245M98.6Very high98.3Very high25 Ų2550 Ų5012%0.12330%0.297CS..BIsolated β-bridgetrans-70.5134.9177.1-171.7-171.4-6600110.8D235 Q236 L237 P238 V239D235-M245 VanDerWaalsContact O-CE 3.32Å; D235-M245 WeakPolarHBondContact O-CE 3.39Å; Q236-M245 VanDerWaalsContact C-CE 3.43Å; Q236-M245 VanDerWaalsContact CA-CE 3.47Å; Q236-M245 VanDerWaalsContact O-CE 3.31Å; Q236-M245 WeakPolarHBondContact O-CE 3.18Å; L237-M245 VanDerWaalsContact O-CB 3.28Å; L237-M245 WeakPolarHBondContact O-CB 3.49Å; L237-M245 PolarHBondContact O-N 2.76Å; P238-M245 WeakPolarHBondContact CA-O 3.31Å; V239-M245 PolarHBondContact N-O 3.5Å
246T98.6Very high98.2Very high63 Ų6350.7 Ų50.739%0.38731%0.305SS..  trans-129.8166.5170.965.30000109.9V239 N251V239-T246 HydrophobicContact CG2-CG2 3.79Å; T246-N251 VanDerWaalsContact CA-O 3.32Å; T246-N251 WeakPolarHBondContact CA-O 3.25Å; T246-N251 WeakPolarHBondContact CB-O 3.39Å
247D98.5Very high98.2Very high7 Ų753.2 Ų53.24%0.03732%0.315CS..  trans-63.8166.7160.8-76-38.7000111.3D249 G250 N251 C254 L255 T256D247-D249 WeakPolarHBondContact CB-OD1 3.24Å; D247-D249 PolarHBondContact O-N 3.24Å; D247-D249 VanDerWaalsContact O-N 3.15Å; D247-G250 PolarHBondContact O-N 3.23Å; D247-N251 HydrophobicContact CB-CB 4.02Å; D247-N251 PolarHBondContact N-O 2.63Å; D247-C254 VanDerWaalsContact CG-CA 3.48Å; D247-C254 VanDerWaalsContact OD1-CA 3.29Å; D247-C254 WeakPolarHBondContact OD1-CA 3.12Å; D247-C254 VanDerWaalsContact OD2-C 3.28Å; D247-C254 WeakPolarHBondContact OD2-CA 3.48Å; D247-L255 PolarHBondContact OD1-N 3.18Å; D247-L255 PolarHBondContact OD2-N 3.06Å; D247-T256 HydrophobicContact CB-CG2 4.44Å; D247-T256 VanDerWaalsContact OD1-CB 3.31Å; D247-T256 WeakPolarHBondContact OD1-CB 3.35Å; D247-T256 VanDerWaalsContact OD1-CG2 3.28Å; D247-T256 WeakPolarHBondContact OD1-CG2 3.11Å; D247-T256 PolarHBondContact OD1-N 3.44Å; D247-T256 VanDerWaalsContact OD1-N 3.15Å; D247-T256 PolarHBondContact OD1-OG1 3.3Å; D247-T256 PolarHBondContact OD2-N 3.41Å
248P97.9Very high98.2Very high131 Ų13153.2 Ų53.285%0.85132%0.315SS*.THydrogen-bonded Turntrans-57-25.8176.2-27.236.3000114.9G250P248-G250 VanDerWaalsContact C-N 3.3Å
249D97.7Very high98.1Very high130 Ų13055.3 Ų55.370%0.69533%0.326SS*.THydrogen-bonded Turntrans-86.72.6176.569.1-8.9000113.5D247 N251D247-D249 WeakPolarHBondContact CB-OD1 3.24Å; D247-D249 PolarHBondContact O-N 3.24Å; D247-D249 VanDerWaalsContact O-N 3.15Å; D249-N251 WeakPolarHBondContact OD1-CB 3.48Å; D249-N251 PolarHBondContact OD1-N 3.34Å
250G98Very high98.1Very high44 Ų4454.4 Ų54.445%0.45432%0.317SS..  trans86.36.2-17800000114.6D247 P248 P252D247-G250 PolarHBondContact O-N 3.23Å; P248-G250 VanDerWaalsContact C-N 3.3Å; G250-P252 WeakPolarHBondContact O-CD 3.47Å
251N98.3Very high98Very high42 Ų4253.2 Ų53.223%0.22532%0.316CS..  trans-64.7122.9179.2-169-35.1000111.4T246 D247 D249 K253 C254 L255T246-N251 VanDerWaalsContact CA-O 3.32Å; T246-N251 WeakPolarHBondContact CA-O 3.25Å; T246-N251 WeakPolarHBondContact CB-O 3.39Å; D247-N251 HydrophobicContact CB-CB 4.02Å; D247-N251 PolarHBondContact N-O 2.63Å; D249-N251 WeakPolarHBondContact OD1-CB 3.48Å; D249-N251 PolarHBondContact OD1-N 3.34Å; N251-K253 PolarHBondContact O-N 2.93Å; N251-K253 WeakPolarHBondContact OD1-CB 3.42Å; N251-K253 PolarHBondContact OD1-N 3.4Å; N251-C254 PolarHBondContact O-N 3.42Å; N251-L255 VanDerWaalsContact ND2-CD1 3.28Å; N251-L255 WeakPolarHBondContact ND2-CD1 3.46Å
252P98.3Very high97.9Very high54 Ų5454.4 Ų54.435%0.35133%0.328SS..THydrogen-bonded Turntrans-71.1-11.2-174.929.5-37.3000114.4V239 E240 G250V239-P252 HydrophobicContact CB-CB 3.59Å; V239-P252 HydrophobicContact CG1-CB 3.67Å; V239-P252 PolarHBondContact N-O 2.9Å; E240-P252 WeakPolarHBondContact CB-O 3.43Å; E240-P252 PolarHBondContact N-O 3.06Å; G250-P252 WeakPolarHBondContact O-CD 3.47Å
253K98.1Very high97.9Very high84 Ų8460.4 Ų60.437%0.36535%0.349SS..THydrogen-bonded Turntrans-90.2-10.6-176-71.2-171.7175-173.50114.1E240 N251 L255 Y260E240-K253 HydrophobicContact CB-CG 4.24Å; E240-K253 HydrophobicContact CG-CG 4.35Å; N251-K253 PolarHBondContact O-N 2.93Å; N251-K253 WeakPolarHBondContact OD1-CB 3.42Å; N251-K253 PolarHBondContact OD1-N 3.4Å; K253-L255 HydrophobicContact CB-CD2 3.78Å; K253-L255 HydrophobicContact CB-CG 4.15Å; K253-L255 HydrophobicContact CD-CD2 4.45Å; K253-L255 PolarHBondContact O-N 3.02Å; K253-Y260 WeakPolarHBondContact CA-OH 3.33Å; K253-Y260 HydrophobicContact CB-CE2 3.7Å; K253-Y260 HydrophobicContact CD-CE1 4.32Å; K253-Y260 HydrophobicContact CD-CE2 4.42Å; K253-Y260 HydrophobicContact CG-CE2 4.42Å; K253-Y260 VanDerWaalsContact O-CE2 3.24Å; K253-Y260 WeakPolarHBondContact O-CE2 3.3Å; K253-Y260 PolarHBondContact O-OH 3.18Å
254C98.4Very high97.9Very high2 Ų259.8 Ų59.81%0.01434%0.343CS..  trans52.651.1-175.5-59.70000112.5P238 D247 N251 T256 K257 I258P238-C254 HydrophobicContact CB-CB 4.37Å; P238-C254 HydrophobicContact CG-CB 4.2Å; D247-C254 VanDerWaalsContact CG-CA 3.48Å; D247-C254 VanDerWaalsContact OD1-CA 3.29Å; D247-C254 WeakPolarHBondContact OD1-CA 3.12Å; D247-C254 VanDerWaalsContact OD2-C 3.28Å; D247-C254 WeakPolarHBondContact OD2-CA 3.48Å; N251-C254 PolarHBondContact O-N 3.42Å; C254-T256 PolarHBondContact O-N 3Å; C254-K257 PolarHBondContact O-N 3.26Å; C254-I258 PolarHBondContact O-N 2.96Å
255L97.6Very high97.9Very high95 Ų9557.7 Ų57.750%0.49733%0.331SS..THydrogen-bonded Turntrans-60.7-21.5-178.8-60.4-174.8000113.2D247 N251 K253 K257 Y260D247-L255 PolarHBondContact OD1-N 3.18Å; D247-L255 PolarHBondContact OD2-N 3.06Å; N251-L255 VanDerWaalsContact ND2-CD1 3.28Å; N251-L255 WeakPolarHBondContact ND2-CD1 3.46Å; K253-L255 HydrophobicContact CB-CD2 3.78Å; K253-L255 HydrophobicContact CB-CG 4.15Å; K253-L255 HydrophobicContact CD-CD2 4.45Å; K253-L255 PolarHBondContact O-N 3.02Å; L255-K257 PolarHBondContact O-N 2.92Å; L255-Y260 HydrophobicContact CD2-CD2 3.44Å; L255-Y260 VanDerWaalsContact CD2-CD2 3.44Å; L255-Y260 HydrophobicContact CD2-CE2 3.64Å; L255-Y260 HydrophobicContact CD2-CG 4.48Å
256T97.5Very high97.7Very high102 Ų10264.4 Ų64.463%0.62636%0.36SS*.THydrogen-bonded Turntrans-68-16.6172.363.70000113.2D247 C254D247-T256 HydrophobicContact CB-CG2 4.44Å; D247-T256 VanDerWaalsContact OD1-CB 3.31Å; D247-T256 WeakPolarHBondContact OD1-CB 3.35Å; D247-T256 VanDerWaalsContact OD1-CG2 3.28Å; D247-T256 WeakPolarHBondContact OD1-CG2 3.11Å; D247-T256 PolarHBondContact OD1-N 3.44Å; D247-T256 VanDerWaalsContact OD1-N 3.15Å; D247-T256 PolarHBondContact OD1-OG1 3.3Å; D247-T256 PolarHBondContact OD2-N 3.41Å; C254-T256 PolarHBondContact O-N 3Å
257K97.8Very high97.6Very high103 Ų10366.6 Ų66.645%0.44838%0.377SS..THydrogen-bonded Turntrans-121.1-33.8-175.8-61.3-171.7-179.6-167.50113.6G87 C89 C254 L255G87-K257 WeakPolarHBondContact CA-O 3.11Å; C89-K257 HydrophobicContact CB-CB 4.15Å; C89-K257 HydrophobicContact CB-CD 4.36Å; C254-K257 PolarHBondContact O-N 3.26Å; L255-K257 PolarHBondContact O-N 2.92Å
258I98.3Very high97.5Very high1 Ų168.6 Ų68.61%0.00539%0.386CS..  trans-117119.8-174.2-54.9176.2000109.5C89 F100 I102 P238 F241 C254 Y260C89-I258 HydrophobicContact CB-CD1 3.77Å; C89-I258 HydrophobicContact CB-CG1 3.76Å; F100-I258 HydrophobicContact CB-CD1 4.13Å; F100-I258 HydrophobicContact CB-CG2 4.4Å; F100-I258 HydrophobicContact CD2-CD1 3.79Å; F100-I258 HydrophobicContact CE2-CD1 4.39Å; F100-I258 HydrophobicContact CG-CD1 3.89Å; I102-I258 HydrophobicContact CD1-CG2 4.4Å; I102-I258 HydrophobicContact CG1-CG2 4.09Å; P238-I258 HydrophobicContact CG-CD1 3.91Å; F241-I258 HydrophobicContact CE2-CD1 4.06Å; C254-I258 PolarHBondContact O-N 2.96Å; I258-Y260 HydrophobicContact CB-CE2 3.85Å; I258-Y260 HydrophobicContact CG2-CD2 4.12Å; I258-Y260 HydrophobicContact CG2-CE2 3.67Å; I258-Y260 WeakPolarHBondContact O-CD2 3.3Å
259N97.7Very high97.5Very high43 Ų4365.3 Ų65.323%0.2336%0.357CS..BIsolated β-bridgetrans-81.6130.2169.2-169.4-45000109.5Q81 L82 S85 G86 G261Q81-N259 PolarHBondContact O-ND2 3.27Å; L82-N259 VanDerWaalsContact C-ND2 3.27Å; L82-N259 PolarHBondContact O-ND2 3.22Å; L82-N259 PolarHBondContact O-OD1 3.31Å; S85-N259 CarbonylContact C-O 3.52Å; S85-N259 WeakPolarHBondContact CA-O 3.43Å; G86-N259 PolarHBondContact N-O 3.11Å; G86-N259 PolarHBondContact O-N 2.99Å; N259-G261 WeakPolarHBondContact OD1-CA 3.45Å; N259-G261 PolarHBondContact OD1-N 2.93Å
260Y97.9Very high97.2Very high40 Ų4066 Ų6616%0.15736%0.36CS..  trans-9815.2179.5-74.1-100.2000113.1I102 S105 F241 K253 L255 I258I102-Y260 HydrophobicContact CD1-CE1 4.45Å; I102-Y260 HydrophobicContact CG1-CD1 4.26Å; I102-Y260 HydrophobicContact CG1-CE1 4.42Å; I102-Y260 HydrophobicContact CG2-CD1 4.17Å; S105-Y260 WeakPolarHBondContact CB-O 3.36Å; S105-Y260 PolarHBondContact OG-O 3.34Å; F241-Y260 HydrophobicContact CZ-CE1 4.45Å; K253-Y260 WeakPolarHBondContact CA-OH 3.33Å; K253-Y260 HydrophobicContact CB-CE2 3.7Å; K253-Y260 HydrophobicContact CD-CE1 4.32Å; K253-Y260 HydrophobicContact CD-CE2 4.42Å; K253-Y260 HydrophobicContact CG-CE2 4.42Å; K253-Y260 VanDerWaalsContact O-CE2 3.24Å; K253-Y260 WeakPolarHBondContact O-CE2 3.3Å; K253-Y260 PolarHBondContact O-OH 3.18Å; L255-Y260 HydrophobicContact CD2-CD2 3.44Å; L255-Y260 VanDerWaalsContact CD2-CD2 3.44Å; L255-Y260 HydrophobicContact CD2-CE2 3.64Å; L255-Y260 HydrophobicContact CD2-CG 4.48Å; I258-Y260 HydrophobicContact CB-CE2 3.85Å; I258-Y260 HydrophobicContact CG2-CD2 4.12Å; I258-Y260 HydrophobicContact CG2-CE2 3.67Å; I258-Y260 WeakPolarHBondContact O-CD2 3.3Å
261G96.4Very high96.6Very high20 Ų2066.2 Ų66.221%0.20635%0.354CS..  trans62.9-142.8-179.800000112.9Y83 N259Y83-G261 WeakPolarHBondContact O-CA 3.26Å; N259-G261 WeakPolarHBondContact OD1-CA 3.45Å; N259-G261 PolarHBondContact OD1-N 2.93Å
262G96.7Very high95.8Very high25 Ų2570.4 Ų70.426%0.25838%0.376SS..  trans138.4171.8-176.500000111.7S105 D107 V264S105-G262 PolarHBondContact O-N 3.27Å; D107-G262 WeakPolarHBondContact CB-O 3.18Å; G262-V264 PolarHBondContact O-N 3.06Å
263E97.5Very high94.8Very high154 Ų15472.1 Ų72.172%0.7238%0.379SS*.PPolyproline II helixtrans-68.2128.3171.9-173.1177.2177.200109.7Y83 P265Y83-E263 WeakPolarHBondContact CE1-O 3.47Å; E263-P265 WeakPolarHBondContact O-CD 3.49Å
264V97.9Very high93.9Very high0 Ų070 Ų700%037%0.373CS..PPolyproline II helixtrans-76.7123.9178.7177.70000109V79 Y83 D107 L111 S114 G262 K266 F268 Y269V79-V264 HydrophobicContact CG2-CB 4.48Å; V79-V264 HydrophobicContact CG2-CG1 3.43Å; V79-V264 VanDerWaalsContact CG2-CG1 3.43Å; V79-V264 HydrophobicContact CG2-CG2 4.18Å; Y83-V264 HydrophobicContact CD1-CG2 4.39Å; Y83-V264 HydrophobicContact CD2-CG2 4.27Å; Y83-V264 HydrophobicContact CG-CG2 3.9Å; D107-V264 HydrophobicContact CB-CG2 4.31Å; D107-V264 PolarHBondContact OD2-N 3.47Å; L111-V264 HydrophobicContact CD2-CG2 4.16Å; L111-V264 HydrophobicContact CG-CG2 4.11Å; S114-V264 WeakPolarHBondContact OG-CG1 3.29Å; G262-V264 PolarHBondContact O-N 3.06Å; V264-K266 PolarHBondContact O-N 3.43Å; V264-F268 HydrophobicContact CG1-CB 3.9Å; V264-F268 HydrophobicContact CG1-CD2 4.35Å; V264-F268 HydrophobicContact CG1-CG 4.43Å; V264-Y269 HydrophobicContact CB-CE1 4.22Å; V264-Y269 HydrophobicContact CG1-CD1 4.39Å; V264-Y269 HydrophobicContact CG1-CE1 3.99Å
265P97.8Very high92.8Very high47 Ų4779.7 Ų79.731%0.30542%0.415SS..PPolyproline II helixtrans-58.4136.2176.3-24.232.6000111.4Y83 E263 S267 F268Y83-P265 HydrophobicContact CE2-CG 4.44Å; Y83-P265 WeakPolarHBondContact OH-CD 3.36Å; Y83-P265 WeakPolarHBondContact OH-CG 3.3Å; E263-P265 WeakPolarHBondContact O-CD 3.49Å; P265-S267 PolarHBondContact O-N 2.9Å; P265-F268 HydrophobicContact CB-CD2 4.02Å; P265-F268 HydrophobicContact CB-CE2 4.42Å; P265-F268 HydrophobicContact CG-CD2 4.07Å; P265-F268 HydrophobicContact CG-CE2 4.13Å; P265-F268 WeakPolarHBondContact O-CB 3.36Å; P265-F268 PolarHBondContact O-N 3.43Å
266K95.6Very high92Very high166 Ų16677.1 Ų77.172%0.72240%0.402SS*.G310 helixtrans-57.7-20.1179.6-64.6-176.3-179.2178.50113.8V264 F268 Y269V264-K266 PolarHBondContact O-N 3.43Å; K266-F268 PolarHBondContact O-N 2.9Å; K266-Y269 HydrophobicContact CG-CE2 4.38Å; K266-Y269 WeakPolarHBondContact O-CB 3.36Å; K266-Y269 PolarHBondContact O-N 2.96Å; K266-Y269 VanDerWaalsContact O-N 3.13Å
267S96.7Very high91.3Very high108 Ų10880.7 Ų80.776%0.75541%0.411SS*.G310 helixtrans-63.2-21173.453.70000113.8P265P265-S267 PolarHBondContact O-N 2.9Å
268F96.5Very high90.9Very high50 Ų5078.5 Ų78.522%0.21940%0.401CS..G310 helixtrans-83.6-11.7174.5-75.4-79000113.7E78 V79 L82 Y83 S114 V264 P265 K266 L270E78-F268 HydrophobicContact CB-CE1 4.45Å; E78-F268 HydrophobicContact CG-CE1 4.25Å; V79-F268 HydrophobicContact CB-CB 4.33Å; V79-F268 HydrophobicContact CB-CD1 3.75Å; V79-F268 HydrophobicContact CB-CE1 4.24Å; V79-F268 HydrophobicContact CB-CG 4.09Å; V79-F268 HydrophobicContact CG2-CB 3.96Å; V79-F268 HydrophobicContact CG2-CD1 4.14Å; V79-F268 HydrophobicContact CG2-CD2 4.46Å; V79-F268 HydrophobicContact CG2-CG 3.95Å; L82-F268 HydrophobicContact CD1-CZ 4.18Å; Y83-F268 HydrophobicContact CE2-CD2 4.25Å; Y83-F268 AromaticContact CE2-CE2 3.83Å; Y83-F268 HydrophobicContact CE2-CE2 3.83Å; Y83-F268 HydrophobicContact CE2-CZ 4.4Å; S114-F268 WeakPolarHBondContact CA-O 3.44Å; S114-F268 VanDerWaalsContact CB-O 3.3Å; S114-F268 WeakPolarHBondContact CB-O 3.49Å; S114-F268 PolarHBondContact OG-O 3.19Å; V264-F268 HydrophobicContact CG1-CB 3.9Å; V264-F268 HydrophobicContact CG1-CD2 4.35Å; V264-F268 HydrophobicContact CG1-CG 4.43Å; P265-F268 HydrophobicContact CB-CD2 4.02Å; P265-F268 HydrophobicContact CB-CE2 4.42Å; P265-F268 HydrophobicContact CG-CD2 4.07Å; P265-F268 HydrophobicContact CG-CE2 4.13Å; P265-F268 WeakPolarHBondContact O-CB 3.36Å; P265-F268 PolarHBondContact O-N 3.43Å; K266-F268 PolarHBondContact O-N 2.9Å; F268-L270 PolarHBondContact O-N 3Å
269Y96Very high90.6Very high62 Ų6283.6 Ų83.624%0.24343%0.425CS..  trans-70.9121.1-170.8-7323.2000110G110 L113 S114 V264 K266G110-Y269 WeakPolarHBondContact CA-OH 3.38Å; L113-Y269 HydrophobicContact CB-CD1 4.4Å; L113-Y269 HydrophobicContact CB-CD2 3.9Å; L113-Y269 HydrophobicContact CB-CE2 4.16Å; L113-Y269 HydrophobicContact CB-CG 4.03Å; L113-Y269 HydrophobicContact CD1-CD2 3.71Å; L113-Y269 HydrophobicContact CD1-CE2 3.42Å; L113-Y269 VanDerWaalsContact CD1-CE2 3.42Å; L113-Y269 HydrophobicContact CG-CD2 4.46Å; L113-Y269 HydrophobicContact CG-CE2 4.44Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.38Å; V264-Y269 HydrophobicContact CB-CE1 4.22Å; V264-Y269 HydrophobicContact CG1-CD1 4.39Å; V264-Y269 HydrophobicContact CG1-CE1 3.99Å; K266-Y269 HydrophobicContact CG-CE2 4.38Å; K266-Y269 WeakPolarHBondContact O-CB 3.36Å; K266-Y269 PolarHBondContact O-N 2.96Å; K266-Y269 VanDerWaalsContact O-N 3.13Å
270L92Very high90.4Very high144 Ų14485.9 Ų85.975%0.75443%0.434SS*.SBendtrans-88.3-22.4177-60179.1000111.8L113 S114 F268L113-L270 PolarHBondContact O-N 3.44Å; S114-L270 VanDerWaalsContact O-CD1 3.25Å; S114-L270 WeakPolarHBondContact O-CD1 3.36Å; F268-L270 PolarHBondContact O-N 3Å
271C86.8Confident90.2Very high49 Ų4987.6 Ų87.633%0.33145%0.449SS..  trans-143.8161.6174.6660000111.3L113 Q273L113-C271 PolarHBondContact O-N 2.78Å; C271-Q273 PolarHBondContact SG-O 3.25Å
272N80.5Confident90.2Very high129 Ų12989.1 Ų89.169%0.6945%0.454SS*.SBendtrans-91.6-9.3175.6-62.2-20.9000112.4
273Q77.4Confident90Very high90 Ų9091.9 Ų91.942%0.42147%0.469SS..  trans-156.8150.7-176.860.2177.1-23.600112.6C271 L346C271-Q273 PolarHBondContact SG-O 3.25Å; Q273-L346 PolarHBondContact NE2-O 2.84Å
274V78.9Confident89.7Confident39 Ų3984.8 Ų84.824%0.23644%0.436CS..  trans-89.6140.5165.3-178.90000108.3L112 L113 W164 P166 L276L112-V274 HydrophobicContact CB-CG2 4.33Å; L113-V274 HydrophobicContact CD2-CG2 4.31Å; W164-V274 HydrophobicContact CH2-CB 4.36Å; W164-V274 HydrophobicContact CH2-CG2 3.67Å; W164-V274 HydrophobicContact CZ2-CB 4.47Å; W164-V274 HydrophobicContact CZ2-CG2 4.22Å; P166-V274 HydrophobicContact CB-CG1 4.44Å; P166-V274 HydrophobicContact CG-CG1 4.43Å; V274-L276 PolarHBondContact O-N 3.47Å
275K76.4Confident89.3Confident207 Ų20786.1 Ų86.190%0.945%0.45SS*.  trans-65.9119.2174.8-72.1-177.1179.9178.30109.7
276L80.3Confident88.9Confident40 Ų4091.8 Ų91.821%0.20947%0.465CS..  trans-109.4144.9179.4-62.3171.4000110.7P166 V274 Y278 P348P166-L276 HydrophobicContact CG-CD2 3.63Å; V274-L276 PolarHBondContact O-N 3.47Å; L276-Y278 HydrophobicContact CB-CE1 4.48Å; L276-P348 HydrophobicContact CD1-CB 4.14Å; L276-P348 HydrophobicContact CD1-CG 4.42Å
277Q82.5Confident88.5Confident178 Ų17886.2 Ų86.283%0.83245%0.454SS*.  trans-99.2142.7165.1-67.2-173.4-9.100109.2Q306Q277-Q306 PolarHBondContact O-NE2 3.37Å; Q277-Q306 VanDerWaalsContact O-NE2 3.16Å
278Y88.9Confident88.2Confident56 Ų5683 Ų8322%0.2243%0.432CS..  trans-113.1144.7179.8-57.3-77.9000110.3L276 Q306 A308 P348 T380L276-Y278 HydrophobicContact CB-CE1 4.48Å; Y278-Q306 HydrophobicContact CD1-CG 4.2Å; Y278-Q306 HydrophobicContact CE1-CB 4.37Å; Y278-Q306 HydrophobicContact CE1-CG 4.04Å; Y278-A308 HydrophobicContact CE1-CB 4.5Å; Y278-A308 HydrophobicContact CE2-CB 3.94Å; Y278-A308 WeakPolarHBondContact OH-CB 3.47Å; Y278-P348 WeakPolarHBondContact OH-CB 3.29Å; Y278-P348 WeakPolarHBondContact OH-CG 3.38Å; Y278-T380 WeakPolarHBondContact CA-OG1 3.19Å
279E92Very high88Confident109 Ų10981 Ų8151%0.50942%0.424SS..SBendtrans-78.5-34-179.1-73170.3-167.600112Y379 T380E279-Y379 PolarHBondContact N-O 2.79Å; E279-T380 HydrophobicContact CG-CG2 4.14Å; E279-T380 PolarHBondContact N-OG1 2.85Å; E279-T380 WeakPolarHBondContact OE1-CG2 3.38Å
280H94.1Very high88Confident90 Ų9079.9 Ų79.942%0.41742%0.422SS..EExtended strand (participates in β ladder)trans-124.2147.1-176.9-58.9-65.4000111.2S378 Y379H280-S378 CarbonylContact O-C 3.51Å; H280-S378 VanDerWaalsContact O-CA 3.23Å; H280-S378 WeakPolarHBondContact O-CA 3.47Å; H280-Y379 HydrophobicContact CB-CD1 4.09Å; H280-Y379 HydrophobicContact CB-CD2 4.47Å; H280-Y379 HydrophobicContact CB-CE1 3.66Å; H280-Y379 HydrophobicContact CB-CE2 4.09Å; H280-Y379 HydrophobicContact CB-CG 4.48Å; H280-Y379 AromaticContact CD2-CE2 3.72Å; H280-Y379 AromaticContact CD2-CZ 3.95Å; H280-Y379 AromaticContact CG-CZ 3.99Å; H280-Y379 PolarHBondContact N-O 2.9Å; H280-Y379 PolarHBondContact O-N 3.49Å
281T94.4Very high88.1Confident77 Ų7774.5 Ų74.547%0.47239%0.393SS..EExtended strand (participates in β ladder)trans-136.9120.3168.8-65.20000108.8K376 L377 S378T281-K376 HydrophobicContact CG2-CD 4.05Å; T281-K376 HydrophobicContact CG2-CG 3.8Å; T281-L377 CarbonylContact C-O 3.56Å; T281-L377 WeakPolarHBondContact CA-O 3.48Å; T281-S378 PolarHBondContact OG1-OG 2.77Å
282V94.6Very high88.5Confident52 Ų5273.3 Ų73.332%0.31539%0.385SS..EExtended strand (participates in β ladder)trans-134.6143.6-172.1-178.50000110L290 L377 Y379V282-L290 HydrophobicContact CB-CD2 4.43Å; V282-L290 HydrophobicContact CG1-CD2 4.48Å; V282-L377 PolarHBondContact N-O 3.35Å; V282-L377 PolarHBondContact O-N 2.76Å; V282-Y379 HydrophobicContact CG2-CE1 4.14Å
283S93.3Very high89.2Confident82 Ų8269.6 Ų69.657%0.57336%0.363SS*.EExtended strand (participates in β ladder)trans-90.1112.5170.4-1710000110.1G285 K375S283-G285 PolarHBondContact O-N 2.98Å; S283-K375 CarbonylContact C-O 3.55Å; S283-K375 WeakPolarHBondContact CA-O 2.93Å
284V92Very high90Very high5 Ų566.7 Ų66.73%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-86.9106.1173-170.10000108L290 N367 A374 K375 L377V284-L290 HydrophobicContact CG2-CB 4.07Å; V284-N367 HydrophobicContact CB-CB 4.28Å; V284-N367 HydrophobicContact CG1-CB 3.67Å; V284-N367 PolarHBondContact O-ND2 2.9Å; V284-A374 WeakPolarHBondContact O-CA 3.31Å; V284-K375 PolarHBondContact N-O 2.9Å; V284-K375 PolarHBondContact O-N 2.73Å; V284-L377 HydrophobicContact CG2-CB 4.25Å; V284-L377 HydrophobicContact CG2-CD2 4.26Å
285G89.4Confident90.8Very high28 Ų2870.5 Ų70.529%0.28937%0.365SS..  trans-56.2157.2-18000000112.9S283 S288 N367S283-G285 PolarHBondContact O-N 2.98Å; G285-S288 VanDerWaalsContact C-OG 3.27Å; G285-S288 WeakPolarHBondContact CA-OG 3.45Å; G285-S288 PolarHBondContact N-OG 2.8Å; G285-S288 VanDerWaalsContact N-OG 3.12Å; G285-S288 WeakPolarHBondContact O-CB 3.34Å; G285-S288 PolarHBondContact O-N 3.12Å; G285-S288 PolarHBondContact O-OG 3.41Å; G285-N367 PolarHBondContact O-ND2 3.21Å; G285-N367 VanDerWaalsContact O-ND2 3.15Å
286R88.8Confident91.6Very high167 Ų16760.9 Ų60.963%0.6332%0.324SS*.THydrogen-bonded Turntrans-56.7139.7172.6171.3179.9170.7-161.4-3.3110.4S288 S370 R371R286-S288 PolarHBondContact O-N 3.11Å; R286-S370 WeakPolarHBondContact CG-O 3.35Å; R286-R371 PolarHBondContact NE-O 2.92Å; R286-R371 VanDerWaalsContact NE-O 3.16Å; R286-R371 PolarHBondContact NH1-O 3.27Å; R286-R371 PolarHBondContact NH2-O 2.9Å
287G86.8Confident92.1Very high48 Ų4864.2 Ų64.250%0.49534%0.341SS..THydrogen-bonded Turntrans72.46.2175.600000113.3N367G287-N367 PolarHBondContact N-O 2.75Å; G287-N367 VanDerWaalsContact N-O 3.13Å
288S90.9Very high92.2Very high40 Ų4063 Ų6328%0.2833%0.333SS..  trans-118171.6-173.582.80000111.6G285 R286 N367G285-S288 VanDerWaalsContact C-OG 3.27Å; G285-S288 WeakPolarHBondContact CA-OG 3.45Å; G285-S288 PolarHBondContact N-OG 2.8Å; G285-S288 VanDerWaalsContact N-OG 3.12Å; G285-S288 WeakPolarHBondContact O-CB 3.34Å; G285-S288 PolarHBondContact O-N 3.12Å; G285-S288 PolarHBondContact O-OG 3.41Å; R286-S288 PolarHBondContact O-N 3.11Å; S288-N367 CarbonylContact O-C 3.45Å; S288-N367 WeakPolarHBondContact O-CA 3.29Å; S288-N367 PolarHBondContact O-N 3.34Å
289S93Very high92.3Very high9 Ų963.5 Ų63.56%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-138.4151171.183.90000110.8R327 R364 F365S289-R327 PolarHBondContact O-NH2 3.17Å; S289-R327 PolarHBondContact OG-NH2 3.19Å; S289-R364 PolarHBondContact OG-NE 2.85Å; S289-R364 VanDerWaalsContact OG-NE 3.14Å; S289-F365 CarbonylContact C-O 3.56Å; S289-F365 WeakPolarHBondContact CA-O 3.47Å; S289-F365 WeakPolarHBondContact CB-O 3.44Å
290L94.8Very high92.2Very high38 Ų3859.6 Ų59.620%0.19933%0.333CS..EExtended strand (participates in β ladder)trans-94.8143.3165.9177.866.4000108.9V282 V284 V292 R364 F365 L377 Y379V282-L290 HydrophobicContact CB-CD2 4.43Å; V282-L290 HydrophobicContact CG1-CD2 4.48Å; V284-L290 HydrophobicContact CG2-CB 4.07Å; L290-V292 HydrophobicContact CD2-CG2 4.29Å; L290-V292 HydrophobicContact CG-CG2 4.3Å; L290-R364 CarbonylContact O-C 3.5Å; L290-R364 WeakPolarHBondContact O-CA 3.35Å; L290-F365 HydrophobicContact CB-CB 4.26Å; L290-F365 HydrophobicContact CB-CD2 4.45Å; L290-F365 HydrophobicContact CD2-CD2 4.12Å; L290-F365 HydrophobicContact CG-CD2 4.43Å; L290-F365 PolarHBondContact N-O 2.93Å; L290-F365 PolarHBondContact O-N 3.14Å; L290-L377 HydrophobicContact CD2-CD2 3.95Å; L290-Y379 HydrophobicContact CD2-CD1 4.37Å; L290-Y379 HydrophobicContact CD2-CE1 3.62Å
291Q94.8Very high92.2Very high32 Ų3255.4 Ų55.415%0.1531%0.313CS..EExtended strand (participates in β ladder)trans-126.9125.1172.5-73.8-176.311.100108Q328 V362 L363 R364Q291-Q328 PolarHBondContact NE2-O 2.91Å; Q291-V362 HydrophobicContact CB-CG1 3.7Å; Q291-V362 HydrophobicContact CG-CG1 3.77Å; Q291-L363 WeakPolarHBondContact CA-O 3.29Å; Q291-R364 HydrophobicContact CG-CB 4.33Å; Q291-R364 HydrophobicContact CG-CG 4.03Å
292V95.4Very high92.3Very high24 Ų2451.7 Ų51.715%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-109.9113.6175.3-175.60000107.4L290 V362 L363 F365 Y379 V381L290-V292 HydrophobicContact CD2-CG2 4.29Å; L290-V292 HydrophobicContact CG-CG2 4.3Å; V292-V362 WeakPolarHBondContact O-CA 3.39Å; V292-L363 HydrophobicContact CB-CB 4.34Å; V292-L363 PolarHBondContact N-O 3.03Å; V292-L363 PolarHBondContact O-N 2.9Å; V292-F365 HydrophobicContact CG2-CE2 4.23Å; V292-Y379 HydrophobicContact CG1-CE2 4.4Å; V292-Y379 HydrophobicContact CG2-CE2 3.74Å; V292-V381 HydrophobicContact CG1-CG2 4.33Å
293E95.3Very high92.4Very high51 Ų5149.2 Ų49.224%0.23828%0.276CS..EExtended strand (participates in β ladder)trans-99.7130-172.9-54.8-167.1172.800110.7K321 M324 V360 Y361 V362E293-K321 WeakPolarHBondContact OE1-CE 3.37Å; E293-K321 IonicContact OE1-NZ 3.58Å; E293-K321 PolarHBondContact OE1-NZ 2.65Å; E293-K321 VanDerWaalsContact OE2-CE 3.26Å; E293-K321 WeakPolarHBondContact OE2-CE 3.35Å; E293-K321 IonicContact OE2-NZ 2.72Å; E293-K321 PolarHBondContact OE2-NZ 3.28Å; E293-M324 HydrophobicContact CB-CE 3.87Å; E293-M324 HydrophobicContact CB-SD 3.86Å; E293-V360 HydrophobicContact CB-CG1 3.8Å; E293-V360 HydrophobicContact CG-CG1 4.38Å; E293-Y361 WeakPolarHBondContact CA-O 3.4Å; E293-V362 HydrophobicContact CG-CG1 4.47Å; E293-V362 HydrophobicContact CG-CG2 4.18Å
294N94.4Very high92.6Very high29 Ų2946.2 Ų46.216%0.15525%0.252CS..EExtended strand (participates in β ladder)trans-126.3110.1177.6-67.1-92.8000108.8I296 L303 V360 Y361 L363 V383N294-I296 PolarHBondContact O-N 2.9Å; N294-L303 HydrophobicContact CB-CD1 4.28Å; N294-V360 WeakPolarHBondContact O-CA 3.29Å; N294-Y361 PolarHBondContact N-O 2.85Å; N294-Y361 PolarHBondContact O-N 3.09Å; N294-L363 VanDerWaalsContact ND2-CD1 3.31Å; N294-L363 WeakPolarHBondContact ND2-CD1 3.4Å; N294-V383 HydrophobicContact CB-CG2 4.2Å
295E94.8Very high92.8Very high118 Ų11846.7 Ų46.755%0.55125%0.253SS*.EExtended strand (participates in β ladder)trans-77.6117.4176.4-174170.6-139.900110.4L297 M324 V360E295-L297 HydrophobicContact CG-CD2 4.05Å; E295-M324 HydrophobicContact CB-CG 4.12Å; E295-M324 HydrophobicContact CB-SD 4.16Å; E295-M324 HydrophobicContact CG-CG 4.43Å; E295-V360 HydrophobicContact CB-CG2 4.35Å; E295-V360 HydrophobicContact CG-CG2 4.34Å
296I93.8Very high93Very high6 Ų645.8 Ų45.83%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-108.6110.6179.9-55.5-54.9000108.6N294 F298 C301 C355 A358 G359 Y361 V383N294-I296 PolarHBondContact O-N 2.9Å; I296-F298 WeakPolarHBondContact CG2-O 3.34Å; I296-C301 VanDerWaalsContact CG2-SG 3.57Å; I296-C355 HydrophobicContact CG1-CB 4.42Å; I296-C355 HydrophobicContact CG2-CB 4Å; I296-A358 CarbonylContact O-C 3.44Å; I296-A358 WeakPolarHBondContact O-CA 3.5Å; I296-A358 WeakPolarHBondContact O-CB 3.48Å; I296-G359 PolarHBondContact N-O 2.83Å; I296-G359 PolarHBondContact O-N 2.93Å; I296-Y361 HydrophobicContact CB-CD2 4.05Å; I296-Y361 HydrophobicContact CB-CE2 4.03Å; I296-Y361 HydrophobicContact CG1-CD2 3.46Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.46Å; I296-Y361 HydrophobicContact CG1-CE2 3.83Å; I296-Y361 HydrophobicContact CG1-CG 4.4Å; I296-V383 HydrophobicContact CD1-CB 4.5Å; I296-V383 HydrophobicContact CD1-CG1 3.72Å; I296-V383 HydrophobicContact CD1-CG2 3.9Å
297L89.4Confident93.3Very high110 Ų11037.9 Ų37.958%0.57621%0.212SC*.  trans-88.7-31178.5-59178.4000112.4E295E295-L297 HydrophobicContact CG-CD2 4.05Å
298F85.6Confident93.5Very high151 Ų15136.4 Ų36.466%0.66220%0.195SC*.SBendtrans-120.9113.9-174.7-54.4-73.7000109.8I296I296-F298 WeakPolarHBondContact CG2-O 3.34Å
299P90.9Very high93.5Very high68 Ų6834.9 Ų34.944%0.44218%0.183SC..THydrogen-bonded Turntrans-57.2154.9172.6-25.535.2000112.5C355P299-C355 WeakPolarHBondContact CA-O 3.22Å
300G89.5Confident93.1Very high27 Ų2739.5 Ų39.528%0.27821%0.207SC..THydrogen-bonded Turntrans101.7-10.3176.700000114.9V200 C355V200-G300 WeakPolarHBondContact CG2-O 3.33Å; G300-C355 PolarHBondContact N-O 2.76Å
301C94.4Very high92.6Very high1 Ų138.9 Ų38.91%0.00721%0.21CC..  trans-70.4164.3168.167.90000111.9I296 C355 V383 L384 L385I296-C301 VanDerWaalsContact CG2-SG 3.57Å; C301-C355 PolarHBondContact O-N 2.86Å; C301-V383 HydrophobicContact CB-CG1 4.05Å; C301-L384 CarbonylContact C-O 3.49Å; C301-L384 VanDerWaalsContact CA-O 3.3Å; C301-L384 WeakPolarHBondContact CA-O 3.3Å; C301-L384 VanDerWaalsContact CB-O 3.29Å; C301-L384 WeakPolarHBondContact CB-O 3.08Å; C301-L385 HydrophobicContact CB-CD2 4.01Å
302V96.8Very high92Very high0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-111.6126.5174.8172.10000109.5L160 L163 L197 V200 L353 L384L160-V302 HydrophobicContact CD2-CB 4.49Å; L160-V302 HydrophobicContact CD2-CG1 3.8Å; L160-V302 HydrophobicContact CD2-CG2 3.78Å; L163-V302 HydrophobicContact CD1-CB 4.32Å; L163-V302 HydrophobicContact CD1-CG1 4.15Å; L163-V302 HydrophobicContact CD1-CG2 3.98Å; L197-V302 HydrophobicContact CD1-CG2 3.67Å; V200-V302 HydrophobicContact CG1-CB 4.15Å; V200-V302 HydrophobicContact CG1-CG2 3.94Å; V200-V302 HydrophobicContact CG2-CG2 4.32Å; V302-L353 CarbonylContact C-O 3.55Å; V302-L353 WeakPolarHBondContact CA-O 3.41Å; V302-L384 HydrophobicContact CB-CB 4.18Å; V302-L384 HydrophobicContact CB-CD1 4.3Å; V302-L384 HydrophobicContact CB-CG 4.44Å; V302-L384 HydrophobicContact CG1-CD1 4.14Å; V302-L384 PolarHBondContact N-O 3.09Å; V302-L384 PolarHBondContact O-N 3.14Å
303L96.8Very high91.5Very high0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-86121.2167.1-173.265.8000107.9N294 W305 V318 S352 L353 Y361 L363 V381 V383N294-L303 HydrophobicContact CB-CD1 4.28Å; L303-W305 HydrophobicContact CD2-CZ3 4.49Å; L303-W305 HydrophobicContact CG-CE3 4.26Å; L303-W305 HydrophobicContact CG-CZ3 4.41Å; L303-V318 HydrophobicContact CD2-CG1 4.19Å; L303-S352 CarbonylContact O-C 3.53Å; L303-S352 WeakPolarHBondContact O-CA 3.24Å; L303-S352 VanDerWaalsContact O-CB 3.3Å; L303-S352 WeakPolarHBondContact O-CB 3.38Å; L303-L353 HydrophobicContact CB-CD1 4.29Å; L303-L353 HydrophobicContact CB-CG 4.38Å; L303-L353 PolarHBondContact N-O 2.92Å; L303-L353 PolarHBondContact O-N 2.93Å; L303-Y361 HydrophobicContact CD2-CD1 4.36Å; L303-Y361 HydrophobicContact CD2-CG 4.4Å; L303-L363 HydrophobicContact CD1-CD1 4.3Å; L303-L363 HydrophobicContact CD2-CD1 3.86Å; L303-L363 HydrophobicContact CD2-CG 4.29Å; L303-L363 HydrophobicContact CG-CD1 4.43Å; L303-V381 HydrophobicContact CD1-CG1 3.7Å; L303-V383 HydrophobicContact CD1-CG2 3.96Å
304R96.5Very high91.4Very high19 Ų1937.8 Ų37.87%0.07221%0.213CC..EExtended strand (participates in β ladder)trans-117.9138.9178.5-179.4174.870.9-166.81109.4L163 G351 V381 E382 L384L163-R304 VanDerWaalsContact O-CD 3.28Å; L163-R304 WeakPolarHBondContact O-CD 3.48Å; L163-R304 PolarHBondContact O-NH1 2.87Å; R304-G351 WeakPolarHBondContact CA-O 3.46Å; R304-V381 CarbonylContact O-C 3.38Å; R304-V381 WeakPolarHBondContact O-CA 3.47Å; R304-E382 IonicContact CZ-OE2 3.2Å; R304-E382 PolarHBondContact N-O 2.94Å; R304-E382 IonicContact NE-OE2 3.3Å; R304-E382 PolarHBondContact NE-OE2 3.05Å; R304-E382 IonicContact NH2-OE1 2.68Å; R304-E382 PolarHBondContact NH2-OE1 3.32Å; R304-E382 VanDerWaalsContact NH2-OE1 3.17Å; R304-E382 IonicContact NH2-OE2 2.69Å; R304-E382 PolarHBondContact NH2-OE2 3.46Å; R304-E382 PolarHBondContact O-N 3.03Å; R304-L384 HydrophobicContact CB-CD1 4.03Å; R304-L384 HydrophobicContact CB-CG 4.28Å
305W96Very high91.3Very high15 Ų1536.5 Ų36.56%0.05721%0.206CC..EExtended strand (participates in β ladder)trans-139.2156.5175.561.286.1000111.9L303 F316 V318 L337 D350 G351 L353 L363 T380 V381L303-W305 HydrophobicContact CD2-CZ3 4.49Å; L303-W305 HydrophobicContact CG-CE3 4.26Å; L303-W305 HydrophobicContact CG-CZ3 4.41Å; W305-F316 AromaticContact CD1-CZ 3.62Å; W305-F316 HydrophobicContact CD2-CE1 4.37Å; W305-F316 AromaticContact CD2-CZ 3.85Å; W305-F316 HydrophobicContact CD2-CZ 3.85Å; W305-F316 AromaticContact CE2-CE1 3.58Å; W305-F316 AromaticContact CE2-CZ 3.54Å; W305-F316 AromaticContact CG-CZ 3.91Å; W305-F316 HydrophobicContact CG-CZ 3.91Å; W305-F316 AromaticContact CZ2-CE1 3.9Å; W305-F316 HydrophobicContact CZ2-CE1 3.9Å; W305-F316 HydrophobicContact CZ2-CZ 4.15Å; W305-F316 AromaticContact NE1-CE1 3.32Å; W305-F316 VanDerWaalsContact NE1-CE1 3.32Å; W305-F316 AromaticContact NE1-CZ 3.37Å; W305-V318 HydrophobicContact CH2-CG2 4.16Å; W305-V318 HydrophobicContact CZ2-CG2 4.49Å; W305-V318 HydrophobicContact CZ3-CG2 4.26Å; W305-L337 HydrophobicContact CH2-CD2 4.23Å; W305-L337 HydrophobicContact CZ2-CD2 3.82Å; W305-D350 WeakPolarHBondContact O-CA 3.38Å; W305-G351 PolarHBondContact N-O 3.24Å; W305-G351 PolarHBondContact O-N 3.31Å; W305-L353 HydrophobicContact CH2-CB 4.36Å; W305-L353 HydrophobicContact CH2-CD2 3.85Å; W305-L353 HydrophobicContact CH2-CG 4.14Å; W305-L353 HydrophobicContact CZ3-CB 4.46Å; W305-L353 HydrophobicContact CZ3-CD2 3.92Å; W305-L353 HydrophobicContact CZ3-CG 3.92Å; W305-L363 HydrophobicContact CB-CD2 3.73Å; W305-L363 HydrophobicContact CD2-CD2 4.03Å; W305-L363 HydrophobicContact CE3-CD2 3.98Å; W305-L363 HydrophobicContact CG-CD2 3.95Å; W305-T380 VanDerWaalsContact CA-O 3.28Å; W305-T380 WeakPolarHBondContact CA-O 3.46Å; W305-V381 HydrophobicContact CB-CG2 4.17Å
306Q94.5Very high91.4Very high9 Ų930.9 Ų30.94%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-144.8142.2166.658.3-177.121.900108.9Q277 Y278 E349 D350 Y379 T380Q277-Q306 PolarHBondContact O-NE2 3.37Å; Q277-Q306 VanDerWaalsContact O-NE2 3.16Å; Y278-Q306 HydrophobicContact CD1-CG 4.2Å; Y278-Q306 HydrophobicContact CE1-CB 4.37Å; Y278-Q306 HydrophobicContact CE1-CG 4.04Å; Q306-E349 CarbonylContact C-O 3.56Å; Q306-E349 WeakPolarHBondContact CA-O 3.28Å; Q306-D350 HydrophobicContact CB-CB 4.24Å; Q306-Y379 CarbonylContact O-C 3.55Å; Q306-Y379 VanDerWaalsContact O-CA 3.22Å; Q306-Y379 WeakPolarHBondContact O-CA 3.32Å; Q306-T380 PolarHBondContact N-O 3.26Å; Q306-T380 PolarHBondContact O-N 2.84Å
307F94.2Very high91.5Very high1 Ų130.6 Ų30.60%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-152.4154.117766.1-89.9000113.5V314 F316 Y342 A344 P348 E349 F365 L377 S378F307-V314 HydrophobicContact CE2-CG1 3.94Å; F307-F316 HydrophobicContact CE1-CB 4.33Å; F307-F316 AromaticContact CE1-CD1 3.95Å; F307-F316 HydrophobicContact CE1-CD1 3.95Å; F307-F316 AromaticContact CE1-CD2 3.93Å; F307-F316 HydrophobicContact CE1-CD2 3.93Å; F307-F316 HydrophobicContact CE1-CE1 4.22Å; F307-F316 HydrophobicContact CE1-CE2 4.17Å; F307-F316 AromaticContact CE1-CG 3.79Å; F307-F316 HydrophobicContact CE1-CG 3.79Å; F307-F316 HydrophobicContact CE1-CZ 4.33Å; F307-F316 HydrophobicContact CZ-CB 3.88Å; F307-F316 HydrophobicContact CZ-CD1 4.2Å; F307-F316 HydrophobicContact CZ-CD2 4.28Å; F307-F316 AromaticContact CZ-CG 3.86Å; F307-F316 HydrophobicContact CZ-CG 3.86Å; F307-Y342 HydrophobicContact CZ-CD2 4.36Å; F307-Y342 HydrophobicContact CZ-CG 4.17Å; F307-A344 HydrophobicContact CD2-CB 3.92Å; F307-A344 HydrophobicContact CE2-CB 3.78Å; F307-P348 WeakPolarHBondContact O-CA 3.25Å; F307-E349 HydrophobicContact CD1-CB 4.12Å; F307-E349 HydrophobicContact CD2-CB 4.33Å; F307-E349 HydrophobicContact CE1-CB 3.64Å; F307-E349 HydrophobicContact CE2-CB 3.87Å; F307-E349 HydrophobicContact CE2-CG 4.03Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.49Å; F307-E349 VanDerWaalsContact CZ-CB 3.49Å; F307-E349 HydrophobicContact CZ-CG 3.89Å; F307-E349 PolarHBondContact N-O 2.9Å; F307-E349 PolarHBondContact O-N 2.86Å; F307-F365 HydrophobicContact CB-CE1 3.98Å; F307-F365 HydrophobicContact CB-CZ 4.34Å; F307-F365 AromaticContact CD1-CE1 3.64Å; F307-F365 HydrophobicContact CD1-CE1 3.64Å; F307-F365 HydrophobicContact CD1-CZ 4.19Å; F307-F365 AromaticContact CD2-CE1 3.94Å; F307-F365 HydrophobicContact CD2-CE1 3.94Å; F307-F365 HydrophobicContact CE1-CE1 4.02Å; F307-F365 HydrophobicContact CE2-CE1 4.3Å; F307-F365 AromaticContact CG-CE1 3.59Å; F307-F365 HydrophobicContact CG-CE1 3.59Å; F307-F365 HydrophobicContact CG-CZ 4.3Å; F307-F365 HydrophobicContact CZ-CE1 4.34Å; F307-L377 HydrophobicContact CB-CD1 3.96Å; F307-L377 HydrophobicContact CD2-CD1 3.9Å; F307-L377 HydrophobicContact CG-CD1 4.27Å; F307-S378 CarbonylContact C-O 3.57Å; F307-S378 WeakPolarHBondContact CA-O 3.36Å; F307-S378 WeakPolarHBondContact CB-O 3.4Å
308A92.9Very high91.9Very high17 Ų1725.4 Ų25.414%0.1415%0.151CC..EExtended strand (participates in β ladder)trans-137.4159.2173.300000111.1Y278 A344 P348 S378Y278-A308 HydrophobicContact CE1-CB 4.5Å; Y278-A308 HydrophobicContact CE2-CB 3.94Å; Y278-A308 WeakPolarHBondContact OH-CB 3.47Å; A308-A344 WeakPolarHBondContact CA-O 2.94Å; A308-P348 HydrophobicContact CB-CB 4.36Å; A308-P348 HydrophobicContact CB-CG 4.26Å; A308-S378 PolarHBondContact N-O 3.18Å; A308-S378 PolarHBondContact O-N 2.94Å
309L89.4Confident92.5Very high7 Ų718.4 Ų18.44%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-119.9144.5178.5-66.1167.9000110.3G311 G312 V314 A344 H345 K375 K376 L377L309-G311 PolarHBondContact O-N 3.48Å; L309-G312 WeakPolarHBondContact CD1-O 3.38Å; L309-V314 HydrophobicContact CD1-CB 3.81Å; L309-V314 HydrophobicContact CD1-CG1 3.77Å; L309-V314 HydrophobicContact CD2-CB 4.18Å; L309-V314 HydrophobicContact CD2-CG1 4.26Å; L309-V314 HydrophobicContact CG-CG1 4.37Å; L309-A344 HydrophobicContact CD1-CB 4.15Å; L309-A344 HydrophobicContact CG-CB 4.15Å; L309-A344 PolarHBondContact N-O 2.89Å; L309-H345 HydrophobicContact CB-CB 4.46Å; L309-H345 VanDerWaalsContact O-CA 3.22Å; L309-H345 WeakPolarHBondContact O-CA 3.46Å; L309-H345 WeakPolarHBondContact O-CB 3.49Å; L309-K375 HydrophobicContact CD2-CB 4.43Å; L309-K376 WeakPolarHBondContact CA-O 3.42Å; L309-L377 HydrophobicContact CD2-CB 4.14Å; L309-L377 HydrophobicContact CD2-CD1 3.74Å; L309-L377 HydrophobicContact CG-CD1 4.47Å
310D85.5Confident92.7Very high106 Ų10615.9 Ų15.957%0.56710%0.103SC*.SBendtrans-70-15.8171-721.5000111.9K376D310-K376 HydrophobicContact CB-CB 4.19Å; D310-K376 PolarHBondContact N-O 2.91Å; D310-K376 VanDerWaalsContact N-O 3.14Å; D310-K376 IonicContact OD1-NZ 2.94Å; D310-K376 WeakPolarHBondContact OD2-CB 3.35Å; D310-K376 WeakPolarHBondContact OD2-CD 3.38Å; D310-K376 WeakPolarHBondContact OD2-CE 3.28Å; D310-K376 WeakPolarHBondContact OD2-CG 3.49Å; D310-K376 IonicContact OD2-NZ 2.93Å; D310-K376 PolarHBondContact OD2-NZ 3.24Å
311G82.9Confident92.8Very high25 Ų2515 Ų1526%0.2589%0.092SC..SBendtrans172146.1175.300000116.2L309 K375L309-G311 PolarHBondContact O-N 3.48Å; G311-K375 VanDerWaalsContact O-CD 3.29Å; G311-K375 WeakPolarHBondContact O-CD 3.43Å; G311-K375 PolarHBondContact O-NZ 3.48Å
312G83.4Confident92.4Very high28 Ų2820.8 Ų20.829%0.28913%0.127SC..SBendtrans77.5-161.6-179.200000113.7L309 N343L309-G312 WeakPolarHBondContact CD1-O 3.38Å; G312-N343 PolarHBondContact O-OD1 3.28Å
313D85.7Confident91.7Very high54 Ų5428.4 Ų28.429%0.28916%0.161SC..  trans-107158-17762-18.2000113R341 Y342D313-R341 WeakPolarHBondContact OD2-CD 3.3Å; D313-R341 IonicContact OD2-CZ 2.85Å; D313-R341 IonicContact OD2-NE 3.9Å; D313-R341 IonicContact OD2-NH1 3.16Å; D313-R341 PolarHBondContact OD2-NH1 3.48Å; D313-Y342 VanDerWaalsContact CA-O 3.24Å; D313-Y342 WeakPolarHBondContact CA-O 3.38Å; D313-Y342 WeakPolarHBondContact CB-O 3.21Å
314V91.4Very high91Very high3 Ų332.8 Ų32.82%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-133.914316976.80000108.9F307 L309 Y342 F365 D366F307-V314 HydrophobicContact CE2-CG1 3.94Å; L309-V314 HydrophobicContact CD1-CB 3.81Å; L309-V314 HydrophobicContact CD1-CG1 3.77Å; L309-V314 HydrophobicContact CD2-CB 4.18Å; L309-V314 HydrophobicContact CD2-CG1 4.26Å; L309-V314 HydrophobicContact CG-CG1 4.37Å; V314-Y342 PolarHBondContact N-O 2.89Å; V314-Y342 VanDerWaalsContact N-O 3.09Å; V314-Y342 PolarHBondContact O-N 3Å; V314-F365 HydrophobicContact CG1-CD1 4.43Å; V314-F365 HydrophobicContact CG2-CB 4.12Å; V314-D366 WeakPolarHBondContact CG2-O 3.37Å
315G93.8Very high90.1Very high1 Ų134.3 Ų34.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-72.1133.6164.800000109.4Q340 F365 D366G315-Q340 CarbonylContact C-O 3.56Å; G315-Q340 VanDerWaalsContact CA-O 3.29Å; G315-Q340 WeakPolarHBondContact CA-O 3.34Å; G315-F365 CarbonylContact O-C 3.45Å; G315-F365 WeakPolarHBondContact O-CA 3.17Å; G315-D366 PolarHBondContact N-O 2.86Å; G315-D366 PolarHBondContact O-N 2.94Å
316F96.2Very high89.4Confident1 Ų142.1 Ų42.10%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-135.9134.2174.2171.4-96000110.2W305 F307 V318 L337 S339 Q340 Y342 L363 R364 F365W305-F316 AromaticContact CD1-CZ 3.62Å; W305-F316 HydrophobicContact CD2-CE1 4.37Å; W305-F316 AromaticContact CD2-CZ 3.85Å; W305-F316 HydrophobicContact CD2-CZ 3.85Å; W305-F316 AromaticContact CE2-CE1 3.58Å; W305-F316 AromaticContact CE2-CZ 3.54Å; W305-F316 AromaticContact CG-CZ 3.91Å; W305-F316 HydrophobicContact CG-CZ 3.91Å; W305-F316 AromaticContact CZ2-CE1 3.9Å; W305-F316 HydrophobicContact CZ2-CE1 3.9Å; W305-F316 HydrophobicContact CZ2-CZ 4.15Å; W305-F316 AromaticContact NE1-CE1 3.32Å; W305-F316 VanDerWaalsContact NE1-CE1 3.32Å; W305-F316 AromaticContact NE1-CZ 3.37Å; F307-F316 HydrophobicContact CE1-CB 4.33Å; F307-F316 AromaticContact CE1-CD1 3.95Å; F307-F316 HydrophobicContact CE1-CD1 3.95Å; F307-F316 AromaticContact CE1-CD2 3.93Å; F307-F316 HydrophobicContact CE1-CD2 3.93Å; F307-F316 HydrophobicContact CE1-CE1 4.22Å; F307-F316 HydrophobicContact CE1-CE2 4.17Å; F307-F316 AromaticContact CE1-CG 3.79Å; F307-F316 HydrophobicContact CE1-CG 3.79Å; F307-F316 HydrophobicContact CE1-CZ 4.33Å; F307-F316 HydrophobicContact CZ-CB 3.88Å; F307-F316 HydrophobicContact CZ-CD1 4.2Å; F307-F316 HydrophobicContact CZ-CD2 4.28Å; F307-F316 AromaticContact CZ-CG 3.86Å; F307-F316 HydrophobicContact CZ-CG 3.86Å; F316-V318 HydrophobicContact CE1-CG2 4.27Å; F316-V318 HydrophobicContact CZ-CG2 3.95Å; F316-L337 HydrophobicContact CD1-CD2 4.4Å; F316-L337 HydrophobicContact CE1-CD2 3.87Å; F316-S339 CarbonylContact O-C 3.59Å; F316-S339 VanDerWaalsContact O-CA 3.26Å; F316-S339 WeakPolarHBondContact O-CA 3.29Å; F316-Q340 PolarHBondContact N-O 3.43Å; F316-Q340 PolarHBondContact O-N 2.97Å; F316-Y342 HydrophobicContact CB-CD2 3.64Å; F316-Y342 HydrophobicContact CB-CE2 3.83Å; F316-Y342 HydrophobicContact CD1-CD2 4.41Å; F316-Y342 AromaticContact CD1-CE2 3.89Å; F316-Y342 HydrophobicContact CD1-CE2 3.89Å; F316-Y342 HydrophobicContact CG-CD2 4.5Å; F316-Y342 HydrophobicContact CG-CE2 4.37Å; F316-L363 HydrophobicContact CE2-CB 4.04Å; F316-L363 HydrophobicContact CE2-CD2 4.08Å; F316-L363 HydrophobicContact CZ-CD2 4.06Å; F316-R364 WeakPolarHBondContact CA-O 3.41Å; F316-F365 AromaticContact CD2-CD1 3.69Å; F316-F365 HydrophobicContact CD2-CD1 3.69Å; F316-F365 AromaticContact CD2-CE1 3.39Å; F316-F365 HydrophobicContact CD2-CE1 3.39Å; F316-F365 HydrophobicContact CD2-CE2 4.45Å; F316-F365 HydrophobicContact CD2-CG 4.33Å; F316-F365 AromaticContact CD2-CZ 3.82Å; F316-F365 HydrophobicContact CD2-CZ 3.82Å; F316-F365 HydrophobicContact CE2-CD1 4.44Å; F316-F365 AromaticContact CE2-CE1 3.79Å; F316-F365 HydrophobicContact CE2-CE1 3.79Å; F316-F365 HydrophobicContact CE2-CE2 4.37Å; F316-F365 AromaticContact CE2-CZ 3.75Å; F316-F365 HydrophobicContact CE2-CZ 3.75Å; F316-F365 HydrophobicContact CG-CE1 4.37Å
317G96.6Very high88.8Confident0 Ų049.1 Ų49.10%027%0.267CS..EExtended strand (participates in β ladder)trans-156.1165.6173.700000111.1L337 R364G317-L337 WeakPolarHBondContact CA-O 3.48Å; G317-R364 PolarHBondContact N-O 3.29Å; G317-R364 PolarHBondContact O-N 3.44Å
318V97.5Very high88.5Confident0 Ų051.9 Ų51.90%028%0.28CS..EExtended strand (participates in β ladder)trans-118.9130.8178.6-172.20000109.1L303 W305 F316 V336 L337 L353 Y361 V362 L363L303-V318 HydrophobicContact CD2-CG1 4.19Å; W305-V318 HydrophobicContact CH2-CG2 4.16Å; W305-V318 HydrophobicContact CZ2-CG2 4.49Å; W305-V318 HydrophobicContact CZ3-CG2 4.26Å; F316-V318 HydrophobicContact CE1-CG2 4.27Å; F316-V318 HydrophobicContact CZ-CG2 3.95Å; V318-V336 HydrophobicContact CB-CB 4.47Å; V318-V336 HydrophobicContact CG1-CB 4.39Å; V318-V336 WeakPolarHBondContact O-CA 3.49Å; V318-V336 WeakPolarHBondContact O-CB 3.22Å; V318-V336 PolarHBondContact O-N 3.17Å; V318-L337 HydrophobicContact CB-CB 3.83Å; V318-L337 HydrophobicContact CG2-CB 4Å; V318-L337 HydrophobicContact CG2-CD2 4.11Å; V318-L337 PolarHBondContact N-O 3.25Å; V318-L337 PolarHBondContact O-N 3.15Å; V318-L353 HydrophobicContact CB-CD2 4.18Å; V318-L353 HydrophobicContact CG1-CD2 4.08Å; V318-L353 HydrophobicContact CG2-CD2 4.24Å; V318-Y361 HydrophobicContact CG1-CD1 4.2Å; V318-V362 WeakPolarHBondContact CA-O 3.49Å; V318-L363 HydrophobicContact CG2-CG 4.3Å
319F96.7Very high88.1Confident5 Ų557 Ų572%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-125.1161.6-177.5-57.2-91.6000110.3A330 M333 T334 E335 Y361 V362 R364F319-A330 HydrophobicContact CD1-CB 4.28Å; F319-A330 HydrophobicContact CE1-CB 3.68Å; F319-A330 HydrophobicContact CE2-CB 4.46Å; F319-A330 HydrophobicContact CZ-CB 3.79Å; F319-M333 HydrophobicContact CB-CB 3.76Å; F319-M333 HydrophobicContact CB-CE 3.79Å; F319-M333 HydrophobicContact CB-CG 4.47Å; F319-M333 HydrophobicContact CB-SD 3.93Å; F319-M333 HydrophobicContact CD1-CB 4.29Å; F319-M333 HydrophobicContact CD1-CE 4.38Å; F319-M333 HydrophobicContact CD2-CE 4.13Å; F319-M333 HydrophobicContact CG-CB 4.36Å; F319-M333 HydrophobicContact CG-CE 3.83Å; F319-T334 CarbonylContact C-O 3.52Å; F319-T334 VanDerWaalsContact CA-O 3.27Å; F319-T334 WeakPolarHBondContact CA-O 3.32Å; F319-E335 HydrophobicContact CD1-CB 4.38Å; F319-E335 HydrophobicContact CD1-CG 4.44Å; F319-E335 HydrophobicContact CE1-CB 4.39Å; F319-E335 HydrophobicContact CE1-CG 4.12Å; F319-Y361 CarbonylContact O-C 3.55Å; F319-Y361 VanDerWaalsContact O-CA 3.32Å; F319-Y361 WeakPolarHBondContact O-CA 3.12Å; F319-V362 HydrophobicContact CB-CB 4.41Å; F319-V362 PolarHBondContact N-O 2.84Å; F319-V362 PolarHBondContact O-N 3.08Å; F319-R364 HydrophobicContact CD2-CB 4.03Å; F319-R364 HydrophobicContact CE2-CB 3.89Å
320L95.4Very high87.9Confident15 Ų1557.7 Ų57.78%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-123.4127.8176.3179.365.3000109.4T334 V336 Q357 V360 Y361L320-T334 PolarHBondContact N-O 2.96Å; L320-T334 PolarHBondContact O-N 2.85Å; L320-V336 HydrophobicContact CB-CG2 3.66Å; L320-Q357 HydrophobicContact CD2-CB 4.25Å; L320-V360 WeakPolarHBondContact CA-O 3.49Å; L320-Y361 HydrophobicContact CD1-CD2 3.79Å; L320-Y361 HydrophobicContact CD1-CE2 3.66Å; L320-Y361 HydrophobicContact CD1-CG 4.27Å
321K93.1Very high88Confident8 Ų862 Ų624%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-124.5163.3171.270.9177.9-176.41720111.3E293 K323 G325 E326 Q328 M333 V360 V362E293-K321 WeakPolarHBondContact OE1-CE 3.37Å; E293-K321 IonicContact OE1-NZ 3.58Å; E293-K321 PolarHBondContact OE1-NZ 2.65Å; E293-K321 VanDerWaalsContact OE2-CE 3.26Å; E293-K321 WeakPolarHBondContact OE2-CE 3.35Å; E293-K321 IonicContact OE2-NZ 2.72Å; E293-K321 PolarHBondContact OE2-NZ 3.28Å; K321-K323 WeakPolarHBondContact CD-O 3.34Å; K321-K323 WeakPolarHBondContact CE-O 3.3Å; K321-G325 PolarHBondContact NZ-O 2.88Å; K321-E326 PolarHBondContact NZ-O 2.98Å; K321-Q328 VanDerWaalsContact CB-OE1 3.3Å; K321-Q328 HydrophobicContact CD-CG 4.46Å; K321-M333 HydrophobicContact CB-CG 4.14Å; K321-M333 HydrophobicContact CB-SD 4.35Å; K321-M333 HydrophobicContact CD-SD 4.39Å; K321-V360 HydrophobicContact CG-CB 3.75Å; K321-V360 HydrophobicContact CG-CG1 4.09Å; K321-V360 PolarHBondContact N-O 2.84Å; K321-V360 PolarHBondContact O-N 3Å; K321-V362 HydrophobicContact CD-CG2 4.01Å; K321-V362 HydrophobicContact CG-CG2 4.04Å
322T84.3Confident88.3Confident123 Ų12365.6 Ų65.676%0.75532%0.324SS*.SBendtrans-82-26-170.253.40000114.6
323K82.1Confident88.8Confident160 Ų16065 Ų6570%0.69631%0.314SS*.SBendtrans-144.5147.9-176.1-65.4-175.3178.7-179.20111.7K321K321-K323 WeakPolarHBondContact CD-O 3.34Å; K321-K323 WeakPolarHBondContact CE-O 3.3Å
324M83.1Confident89.2Confident91 Ų9166.9 Ų66.945%0.44833%0.328SS..SBendtrans-64.1152.4166.4-69.9-65.4-72.800109.5E293 E295 V360E293-M324 HydrophobicContact CB-CE 3.87Å; E293-M324 HydrophobicContact CB-SD 3.86Å; E295-M324 HydrophobicContact CB-CG 4.12Å; E295-M324 HydrophobicContact CB-SD 4.16Å; E295-M324 HydrophobicContact CG-CG 4.43Å; M324-V360 HydrophobicContact CB-CG2 4.45Å; M324-V360 HydrophobicContact CG-CG2 3.66Å; M324-V360 HydrophobicContact SD-CB 4.15Å; M324-V360 HydrophobicContact SD-CG1 3.4Å; M324-V360 WeakPolarHBondContact SD-CG1 3.23Å; M324-V360 HydrophobicContact SD-CG2 3.6Å
325G78.4Confident89.4Confident51 Ų5172 Ų7253%0.52635%0.351SS..SBendtrans128.1-133.4175.600000112.9K321 R327K321-G325 PolarHBondContact NZ-O 2.88Å; G325-R327 PolarHBondContact O-N 2.68Å
326E79.9Confident89.5Confident180 Ų18074.7 Ų74.784%0.84137%0.367SS*.SBendtrans-50.1139.1-169.1-68.3-170.9175.300113.3K321 Q328K321-E326 PolarHBondContact NZ-O 2.98Å; E326-Q328 PolarHBondContact O-N 2.77Å
327R83.3Confident89.4Confident156 Ų15676.8 Ų76.859%0.58938%0.379SS*.PPolyproline II helixtrans-65.6116.5-179.7-177.8-179.4177.1163.82.6109.8S289 G325S289-R327 PolarHBondContact O-NH2 3.17Å; S289-R327 PolarHBondContact OG-NH2 3.19Å; G325-R327 PolarHBondContact O-N 2.68Å
328Q86.4Confident89.3Confident58 Ų5879.7 Ų79.727%0.27140%0.397SS..PPolyproline II helixtrans-93.9148.7177.4-67-177.1-9.300111.4Q291 K321 E326 E332 M333Q291-Q328 PolarHBondContact NE2-O 2.91Å; K321-Q328 VanDerWaalsContact CB-OE1 3.3Å; K321-Q328 HydrophobicContact CD-CG 4.46Å; E326-Q328 PolarHBondContact O-N 2.77Å; Q328-E332 HydrophobicContact CB-CB 4.45Å; Q328-M333 HydrophobicContact CB-CG 3.83Å; Q328-M333 HydrophobicContact CB-SD 4.11Å
329K85.8Confident89.1Confident124 Ų12482 Ų8254%0.53941%0.414SS..PPolyproline II helixtrans-74.3151.4171-62.3177.8-178.4173.20108.8R331 E332K329-R331 HydrophobicContact CB-CG 4.14Å; K329-R331 PolarHBondContact O-N 3.5Å; K329-R331 VanDerWaalsContact O-N 3.14Å; K329-E332 PolarHBondContact N-OE2 2.78Å; K329-E332 WeakPolarHBondContact O-CB 3.47Å; K329-E332 PolarHBondContact O-N 2.82Å
330A84.5Confident88.9Confident23 Ų2386.9 Ų86.919%0.1944%0.436CS..G310 helixtrans-53-39.6-179.900000113.7F319 E332 M333F319-A330 HydrophobicContact CD1-CB 4.28Å; F319-A330 HydrophobicContact CE1-CB 3.68Å; F319-A330 HydrophobicContact CE2-CB 4.46Å; F319-A330 HydrophobicContact CZ-CB 3.79Å; A330-E332 PolarHBondContact O-N 2.96Å; A330-E332 VanDerWaalsContact O-N 3.13Å; A330-M333 PolarHBondContact O-N 3.11Å
331R88Confident88.7Confident197 Ų19793.1 Ų93.174%0.74346%0.459SS*.G310 helixtrans-62.2-17.8178.770.5-177.3-176.31735.8114.9K329K329-R331 HydrophobicContact CB-CG 4.14Å; K329-R331 PolarHBondContact O-N 3.5Å; K329-R331 VanDerWaalsContact O-N 3.14Å
332E89.4Confident88.5Confident100 Ų10094.8 Ų94.847%0.46747%0.465SS..G310 helixtrans-95.1-9179.5-71.2143.1-15500111.6Q328 K329 A330Q328-E332 HydrophobicContact CB-CB 4.45Å; K329-E332 PolarHBondContact N-OE2 2.78Å; K329-E332 WeakPolarHBondContact O-CB 3.47Å; K329-E332 PolarHBondContact O-N 2.82Å; A330-E332 PolarHBondContact O-N 2.96Å; A330-E332 VanDerWaalsContact O-N 3.13Å
333M93.4Very high88.5Confident15 Ų1593.2 Ų93.27%0.07445%0.452CS..SBendtrans-106.1154.5-179.9-58.4-174.3-7400110.4F319 K321 Q328 A330 V362F319-M333 HydrophobicContact CB-CB 3.76Å; F319-M333 HydrophobicContact CB-CE 3.79Å; F319-M333 HydrophobicContact CB-CG 4.47Å; F319-M333 HydrophobicContact CB-SD 3.93Å; F319-M333 HydrophobicContact CD1-CB 4.29Å; F319-M333 HydrophobicContact CD1-CE 4.38Å; F319-M333 HydrophobicContact CD2-CE 4.13Å; F319-M333 HydrophobicContact CG-CB 4.36Å; F319-M333 HydrophobicContact CG-CE 3.83Å; K321-M333 HydrophobicContact CB-CG 4.14Å; K321-M333 HydrophobicContact CB-SD 4.35Å; K321-M333 HydrophobicContact CD-SD 4.39Å; Q328-M333 HydrophobicContact CB-CG 3.83Å; Q328-M333 HydrophobicContact CB-SD 4.11Å; A330-M333 PolarHBondContact O-N 3.11Å; M333-V362 HydrophobicContact SD-CB 4.15Å; M333-V362 HydrophobicContact SD-CG1 4.4Å; M333-V362 HydrophobicContact SD-CG2 3.95Å
334T94Very high88.4Confident93 Ų9385.6 Ų85.657%0.57142%0.419SS*.EExtended strand (participates in β ladder)trans-75.8127.6172.9-56.50000108.8F319 L320F319-T334 CarbonylContact C-O 3.52Å; F319-T334 VanDerWaalsContact CA-O 3.27Å; F319-T334 WeakPolarHBondContact CA-O 3.32Å; L320-T334 PolarHBondContact N-O 2.96Å; L320-T334 PolarHBondContact O-N 2.85Å
335E95.3Very high88.1Confident110 Ų11084.9 Ų84.951%0.51442%0.415SS..EExtended strand (participates in β ladder)trans-75.7126.4177.8-168.1168.4101.300110.5F319 P338F319-E335 HydrophobicContact CD1-CB 4.38Å; F319-E335 HydrophobicContact CD1-CG 4.44Å; F319-E335 HydrophobicContact CE1-CB 4.39Å; F319-E335 HydrophobicContact CE1-CG 4.12Å; E335-P338 VanDerWaalsContact CD-CA 3.42Å; E335-P338 HydrophobicContact CG-CB 4.5Å; E335-P338 HydrophobicContact CG-CG 4.45Å; E335-P338 VanDerWaalsContact OE1-CA 3.29Å; E335-P338 WeakPolarHBondContact OE1-CA 3.35Å; E335-P338 WeakPolarHBondContact OE1-CB 3.21Å; E335-P338 WeakPolarHBondContact OE1-CG 3.17Å
336V95.6Very high87.9Confident58 Ų5888.1 Ų88.135%0.35242%0.419SS..EExtended strand (participates in β ladder)trans-106.1-45.6176.5-177.20000110.1V318 L320 L353 Y361V318-V336 HydrophobicContact CB-CB 4.47Å; V318-V336 HydrophobicContact CG1-CB 4.39Å; V318-V336 WeakPolarHBondContact O-CA 3.49Å; V318-V336 WeakPolarHBondContact O-CB 3.22Å; V318-V336 PolarHBondContact O-N 3.17Å; L320-V336 HydrophobicContact CB-CG2 3.66Å; V336-L353 HydrophobicContact CG1-CD1 4.31Å; V336-L353 HydrophobicContact CG1-CD2 3.79Å; V336-Y361 HydrophobicContact CG1-CE1 4.21Å; V336-Y361 HydrophobicContact CG2-CD1 4.4Å; V336-Y361 HydrophobicContact CG2-CE1 4.18Å
337L95.3Very high87.9Confident46 Ų4682.3 Ų82.324%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-126.4115.9170-179.869.6000107.9W305 F316 G317 V318W305-L337 HydrophobicContact CH2-CD2 4.23Å; W305-L337 HydrophobicContact CZ2-CD2 3.82Å; F316-L337 HydrophobicContact CD1-CD2 4.4Å; F316-L337 HydrophobicContact CE1-CD2 3.87Å; G317-L337 WeakPolarHBondContact CA-O 3.48Å; V318-L337 HydrophobicContact CB-CB 3.83Å; V318-L337 HydrophobicContact CG2-CB 4Å; V318-L337 HydrophobicContact CG2-CD2 4.11Å; V318-L337 PolarHBondContact N-O 3.25Å; V318-L337 PolarHBondContact O-N 3.15Å
338P93.8Very high88.1Confident60 Ų6075.6 Ų75.639%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-54141.2179.5-23.129.8000112.5E335 Q340E335-P338 VanDerWaalsContact CD-CA 3.42Å; E335-P338 HydrophobicContact CG-CB 4.5Å; E335-P338 HydrophobicContact CG-CG 4.45Å; E335-P338 VanDerWaalsContact OE1-CA 3.29Å; E335-P338 WeakPolarHBondContact OE1-CA 3.35Å; E335-P338 WeakPolarHBondContact OE1-CB 3.21Å; E335-P338 WeakPolarHBondContact OE1-CG 3.17Å; P338-Q340 PolarHBondContact O-N 2.61Å
339S93.6Very high88.3Confident50 Ų5075.6 Ų75.635%0.3537%0.373SS..EExtended strand (participates in β ladder)trans-67.6120.5177.5-168.80000110.4F316F316-S339 CarbonylContact O-C 3.59Å; F316-S339 VanDerWaalsContact O-CA 3.26Å; F316-S339 WeakPolarHBondContact O-CA 3.29Å
340Q92.9Very high88.6Confident106 Ų10672.2 Ų72.250%0.49536%0.361SS..EExtended strand (participates in β ladder)trans-122162175.5-63.1-176.615.500110.5G315 F316 P338 Y342G315-Q340 CarbonylContact C-O 3.56Å; G315-Q340 VanDerWaalsContact CA-O 3.29Å; G315-Q340 WeakPolarHBondContact CA-O 3.34Å; F316-Q340 PolarHBondContact N-O 3.43Å; F316-Q340 PolarHBondContact O-N 2.97Å; P338-Q340 PolarHBondContact O-N 2.61Å; Q340-Y342 HydrophobicContact CB-CD2 4.37Å; Q340-Y342 HydrophobicContact CB-CE2 3.66Å; Q340-Y342 VanDerWaalsContact O-CD2 3.25Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.49Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.26Å
341R90.7Very high89.1Confident147 Ų14771.9 Ų71.956%0.55536%0.359SS*.EExtended strand (participates in β ladder)trans-89125.1175-74.9-174.4166.9-152.412.4110.2D313D313-R341 WeakPolarHBondContact OD2-CD 3.3Å; D313-R341 IonicContact OD2-CZ 2.85Å; D313-R341 IonicContact OD2-NE 3.9Å; D313-R341 IonicContact OD2-NH1 3.16Å; D313-R341 PolarHBondContact OD2-NH1 3.48Å
342Y88Confident89.5Confident43 Ų4364 Ų6417%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-116.3137.1179.7-67.4-88000110.9F307 D313 V314 F316 Q340 A344 E349F307-Y342 HydrophobicContact CZ-CD2 4.36Å; F307-Y342 HydrophobicContact CZ-CG 4.17Å; D313-Y342 VanDerWaalsContact CA-O 3.24Å; D313-Y342 WeakPolarHBondContact CA-O 3.38Å; D313-Y342 WeakPolarHBondContact CB-O 3.21Å; V314-Y342 PolarHBondContact N-O 2.89Å; V314-Y342 VanDerWaalsContact N-O 3.09Å; V314-Y342 PolarHBondContact O-N 3Å; F316-Y342 HydrophobicContact CB-CD2 3.64Å; F316-Y342 HydrophobicContact CB-CE2 3.83Å; F316-Y342 HydrophobicContact CD1-CD2 4.41Å; F316-Y342 AromaticContact CD1-CE2 3.89Å; F316-Y342 HydrophobicContact CD1-CE2 3.89Å; F316-Y342 HydrophobicContact CG-CD2 4.5Å; F316-Y342 HydrophobicContact CG-CE2 4.37Å; Q340-Y342 HydrophobicContact CB-CD2 4.37Å; Q340-Y342 HydrophobicContact CB-CE2 3.66Å; Q340-Y342 VanDerWaalsContact O-CD2 3.25Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.49Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.26Å; Y342-A344 PolarHBondContact O-N 2.89Å; Y342-E349 VanDerWaalsContact CD1-CD 3.48Å; Y342-E349 HydrophobicContact CD1-CG 3.73Å; Y342-E349 HydrophobicContact CG-CG 4.13Å
343N85.1Confident89.8Confident89 Ų8960.4 Ų60.448%0.47632%0.318SS..  trans-102.362.2179.9-159.46.6000111.2G312 H345G312-N343 PolarHBondContact O-OD1 3.28Å; N343-H345 VanDerWaalsContact CG-CE1 3.47Å; N343-H345 PolarHBondContact ND2-CE1 3.16Å; N343-H345 PolarHBondContact O-N 2.83Å; N343-H345 PolarHBondContact OD1-CE1 2.76Å; N343-H345 PolarHBondContact OD1-ND1 2.9Å
344A80.9Confident89.9Confident1 Ų162.1 Ų62.11%0.00833%0.33CS..THydrogen-bonded Turntrans-80.223.9-16700000115F307 A308 L309 Y342 V347 E349F307-A344 HydrophobicContact CD2-CB 3.92Å; F307-A344 HydrophobicContact CE2-CB 3.78Å; A308-A344 WeakPolarHBondContact CA-O 2.94Å; L309-A344 HydrophobicContact CD1-CB 4.15Å; L309-A344 HydrophobicContact CG-CB 4.15Å; L309-A344 PolarHBondContact N-O 2.89Å; Y342-A344 PolarHBondContact O-N 2.89Å; A344-V347 WeakPolarHBondContact CA-O 3.29Å; A344-E349 HydrophobicContact CB-CB 4.45Å; A344-E349 HydrophobicContact CB-CG 3.75Å
345H76.4Confident90Very high76 Ų7657.7 Ų57.735%0.35230%0.303SS..THydrogen-bonded Turntrans-92-24.7-17975.4-71.1000114.3L309 N343L309-H345 HydrophobicContact CB-CB 4.46Å; L309-H345 VanDerWaalsContact O-CA 3.22Å; L309-H345 WeakPolarHBondContact O-CA 3.46Å; L309-H345 WeakPolarHBondContact O-CB 3.49Å; N343-H345 VanDerWaalsContact CG-CE1 3.47Å; N343-H345 PolarHBondContact ND2-CE1 3.16Å; N343-H345 PolarHBondContact O-N 2.83Å; N343-H345 PolarHBondContact OD1-CE1 2.76Å; N343-H345 PolarHBondContact OD1-ND1 2.9Å
346L73.6Confident89.9Confident118 Ų11858.9 Ų58.962%0.61831%0.312SS*.THydrogen-bonded Turntrans-98.6-40.3177-60.6177000111.8Q273Q273-L346 PolarHBondContact NE2-O 2.84Å
347V80.4Confident89.7Confident58 Ų5862 Ų6235%0.35232%0.322SS..SBendtrans-131.9122.9179.9-176.60000107.1A344A344-V347 WeakPolarHBondContact CA-O 3.29Å
348P86.6Confident89.7Confident15 Ų1562.5 Ų62.510%0.09733%0.333CS..  trans-54.4143.2171.2-28.734.7000111.3L276 Y278 F307 A308L276-P348 HydrophobicContact CD1-CB 4.14Å; L276-P348 HydrophobicContact CD1-CG 4.42Å; Y278-P348 WeakPolarHBondContact OH-CB 3.29Å; Y278-P348 WeakPolarHBondContact OH-CG 3.38Å; F307-P348 WeakPolarHBondContact O-CA 3.25Å; A308-P348 HydrophobicContact CB-CB 4.36Å; A308-P348 HydrophobicContact CB-CG 4.26Å
349E91.2Very high89.7Confident59 Ų5960.3 Ų60.328%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-91.8136.6171.2-65-65.6168.600109Q306 F307 Y342 A344Q306-E349 CarbonylContact C-O 3.56Å; Q306-E349 WeakPolarHBondContact CA-O 3.28Å; F307-E349 HydrophobicContact CD1-CB 4.12Å; F307-E349 HydrophobicContact CD2-CB 4.33Å; F307-E349 HydrophobicContact CE1-CB 3.64Å; F307-E349 HydrophobicContact CE2-CB 3.87Å; F307-E349 HydrophobicContact CE2-CG 4.03Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.49Å; F307-E349 VanDerWaalsContact CZ-CB 3.49Å; F307-E349 HydrophobicContact CZ-CG 3.89Å; F307-E349 PolarHBondContact N-O 2.9Å; F307-E349 PolarHBondContact O-N 2.86Å; Y342-E349 VanDerWaalsContact CD1-CD 3.48Å; Y342-E349 HydrophobicContact CD1-CG 3.73Å; Y342-E349 HydrophobicContact CG-CG 4.13Å; A344-E349 HydrophobicContact CB-CB 4.45Å; A344-E349 HydrophobicContact CB-CG 3.75Å
350D92.7Very high89.8Confident53 Ų5358 Ų5828%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-132150.6174.173.2-97.9000109.7K109 W305 Q306K109-D350 IonicContact NZ-OD1 3.59Å; K109-D350 PolarHBondContact NZ-OD1 3.45Å; W305-D350 WeakPolarHBondContact O-CA 3.38Å; Q306-D350 HydrophobicContact CB-CB 4.24Å
351G93.9Very high90Very high16 Ų1653.2 Ų53.217%0.16528%0.283CS..EExtended strand (participates in β ladder)trans-165.6164.2-179.800000111.9R304 W305R304-G351 WeakPolarHBondContact CA-O 3.46Å; W305-G351 PolarHBondContact N-O 3.24Å; W305-G351 PolarHBondContact O-N 3.31Å
352S96.4Very high90.3Very high32 Ų3246.2 Ų46.222%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-153.2158.3170.854.40000110.9L160 L303L160-S352 WeakPolarHBondContact CB-OG 3.1Å; L303-S352 CarbonylContact O-C 3.53Å; L303-S352 WeakPolarHBondContact O-CA 3.24Å; L303-S352 VanDerWaalsContact O-CB 3.3Å; L303-S352 WeakPolarHBondContact O-CB 3.38Å
353L96.2Very high90.7Very high24 Ų2444.2 Ų44.213%0.12625%0.249CC..EExtended strand (participates in β ladder)trans-145.5152.9172.365.683.8000110.6V302 L303 W305 V318 V336 Y361V302-L353 CarbonylContact C-O 3.55Å; V302-L353 WeakPolarHBondContact CA-O 3.41Å; L303-L353 HydrophobicContact CB-CD1 4.29Å; L303-L353 HydrophobicContact CB-CG 4.38Å; L303-L353 PolarHBondContact N-O 2.92Å; L303-L353 PolarHBondContact O-N 2.93Å; W305-L353 HydrophobicContact CH2-CB 4.36Å; W305-L353 HydrophobicContact CH2-CD2 3.85Å; W305-L353 HydrophobicContact CH2-CG 4.14Å; W305-L353 HydrophobicContact CZ3-CB 4.46Å; W305-L353 HydrophobicContact CZ3-CD2 3.92Å; W305-L353 HydrophobicContact CZ3-CG 3.92Å; V318-L353 HydrophobicContact CB-CD2 4.18Å; V318-L353 HydrophobicContact CG1-CD2 4.08Å; V318-L353 HydrophobicContact CG2-CD2 4.24Å; V336-L353 HydrophobicContact CG1-CD1 4.31Å; V336-L353 HydrophobicContact CG1-CD2 3.79Å; L353-Y361 HydrophobicContact CD1-CD1 4.24Å; L353-Y361 HydrophobicContact CD1-CE1 3.96Å
354T96.2Very high91.2Very high51 Ų5142 Ų4231%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-82.8127.2171.3-55.40000109.7L356T354-L356 HydrophobicContact CG2-CD2 3.94Å; T354-L356 PolarHBondContact O-N 2.77Å; T354-L356 VanDerWaalsContact O-N 3.16Å
355C95.3Very high91.9Very high0 Ų042 Ų420%023%0.233CC..  trans-78.198.5175.8-570000109.4I296 P299 G300 C301 Y361I296-C355 HydrophobicContact CG1-CB 4.42Å; I296-C355 HydrophobicContact CG2-CB 4Å; P299-C355 WeakPolarHBondContact CA-O 3.22Å; G300-C355 PolarHBondContact N-O 2.76Å; C301-C355 PolarHBondContact O-N 2.86Å; C355-Y361 WeakPolarHBondContact CA-OH 3.16Å; C355-Y361 HydrophobicContact CB-CE1 4.3Å; C355-Y361 HydrophobicContact CB-CE2 3.85Å
356L92.9Very high92.7Very high135 Ų13538.7 Ų38.771%0.70722%0.219SC*.  trans-81.9-16.8-176.6-61.6178.6000113.7T354 Y361T354-L356 HydrophobicContact CG2-CD2 3.94Å; T354-L356 PolarHBondContact O-N 2.77Å; T354-L356 VanDerWaalsContact O-N 3.16Å; L356-Y361 PolarHBondContact N-OH 2.7Å
357Q92.6Very high93.6Very high122 Ų12233.2 Ų33.257%0.5719%0.19SC*.SBendtrans-130147.8-178.6-62.3-179.95.600109.9L320 Y361L320-Q357 HydrophobicContact CD2-CB 4.25Å; Q357-Y361 PolarHBondContact N-OH 2.66Å; Q357-Y361 VanDerWaalsContact O-CE2 3.29Å; Q357-Y361 WeakPolarHBondContact O-CE2 3.15Å; Q357-Y361 PolarHBondContact O-OH 2.81Å
358A93.6Very high93.6Very high57 Ų5733.4 Ų33.447%0.47119%0.191SC..  trans-72.7149.5168.500000110.2I296I296-A358 CarbonylContact O-C 3.44Å; I296-A358 WeakPolarHBondContact O-CA 3.5Å; I296-A358 WeakPolarHBondContact O-CB 3.48Å
359G94.2Very high93Very high15 Ų1538.4 Ų38.416%0.15521%0.209CC..EExtended strand (participates in β ladder)trans143.1-169.8-177.700000111.5I296I296-G359 PolarHBondContact N-O 2.83Å; I296-G359 PolarHBondContact O-N 2.93Å
360V95.9Very high92.3Very high0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-102.1110.2-177.6179.90000110E293 N294 E295 L320 K321 M324 V362E293-V360 HydrophobicContact CB-CG1 3.8Å; E293-V360 HydrophobicContact CG-CG1 4.38Å; N294-V360 WeakPolarHBondContact O-CA 3.29Å; E295-V360 HydrophobicContact CB-CG2 4.35Å; E295-V360 HydrophobicContact CG-CG2 4.34Å; L320-V360 WeakPolarHBondContact CA-O 3.49Å; K321-V360 HydrophobicContact CG-CB 3.75Å; K321-V360 HydrophobicContact CG-CG1 4.09Å; K321-V360 PolarHBondContact N-O 2.84Å; K321-V360 PolarHBondContact O-N 3Å; M324-V360 HydrophobicContact CB-CG2 4.45Å; M324-V360 HydrophobicContact CG-CG2 3.66Å; M324-V360 HydrophobicContact SD-CB 4.15Å; M324-V360 HydrophobicContact SD-CG1 3.4Å; M324-V360 WeakPolarHBondContact SD-CG1 3.23Å; M324-V360 HydrophobicContact SD-CG2 3.6Å; V360-V362 HydrophobicContact CG1-CG2 4.14Å
361Y96.9Very high91.1Very high7 Ų744.2 Ų44.23%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-82.6123.8174.3-71.9-107.2000109.2E293 N294 I296 L303 V318 F319 L320 V336 L353 C355 L356 Q357E293-Y361 WeakPolarHBondContact CA-O 3.4Å; N294-Y361 PolarHBondContact N-O 2.85Å; N294-Y361 PolarHBondContact O-N 3.09Å; I296-Y361 HydrophobicContact CB-CD2 4.05Å; I296-Y361 HydrophobicContact CB-CE2 4.03Å; I296-Y361 HydrophobicContact CG1-CD2 3.46Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.46Å; I296-Y361 HydrophobicContact CG1-CE2 3.83Å; I296-Y361 HydrophobicContact CG1-CG 4.4Å; L303-Y361 HydrophobicContact CD2-CD1 4.36Å; L303-Y361 HydrophobicContact CD2-CG 4.4Å; V318-Y361 HydrophobicContact CG1-CD1 4.2Å; F319-Y361 CarbonylContact O-C 3.55Å; F319-Y361 VanDerWaalsContact O-CA 3.32Å; F319-Y361 WeakPolarHBondContact O-CA 3.12Å; L320-Y361 HydrophobicContact CD1-CD2 3.79Å; L320-Y361 HydrophobicContact CD1-CE2 3.66Å; L320-Y361 HydrophobicContact CD1-CG 4.27Å; V336-Y361 HydrophobicContact CG1-CE1 4.21Å; V336-Y361 HydrophobicContact CG2-CD1 4.4Å; V336-Y361 HydrophobicContact CG2-CE1 4.18Å; L353-Y361 HydrophobicContact CD1-CD1 4.24Å; L353-Y361 HydrophobicContact CD1-CE1 3.96Å; C355-Y361 WeakPolarHBondContact CA-OH 3.16Å; C355-Y361 HydrophobicContact CB-CE1 4.3Å; C355-Y361 HydrophobicContact CB-CE2 3.85Å; L356-Y361 PolarHBondContact N-OH 2.7Å; Q357-Y361 PolarHBondContact N-OH 2.66Å; Q357-Y361 VanDerWaalsContact O-CE2 3.29Å; Q357-Y361 WeakPolarHBondContact O-CE2 3.15Å; Q357-Y361 PolarHBondContact O-OH 2.81Å
362V97.1Very high89.7Confident0 Ų050.4 Ų50.40%025%0.254CS..EExtended strand (participates in β ladder)trans-111.9108.2-176.3-174.60000109Q291 V292 E293 V318 F319 K321 M333 V360Q291-V362 HydrophobicContact CB-CG1 3.7Å; Q291-V362 HydrophobicContact CG-CG1 3.77Å; V292-V362 WeakPolarHBondContact O-CA 3.39Å; E293-V362 HydrophobicContact CG-CG1 4.47Å; E293-V362 HydrophobicContact CG-CG2 4.18Å; V318-V362 WeakPolarHBondContact CA-O 3.49Å; F319-V362 HydrophobicContact CB-CB 4.41Å; F319-V362 PolarHBondContact N-O 2.84Å; F319-V362 PolarHBondContact O-N 3.08Å; K321-V362 HydrophobicContact CD-CG2 4.01Å; K321-V362 HydrophobicContact CG-CG2 4.04Å; M333-V362 HydrophobicContact SD-CB 4.15Å; M333-V362 HydrophobicContact SD-CG1 4.4Å; M333-V362 HydrophobicContact SD-CG2 3.95Å; V360-V362 HydrophobicContact CG1-CG2 4.14Å
363L97.1Very high89Confident0 Ų054.6 Ų54.60%027%0.27CS..EExtended strand (participates in β ladder)trans-82.4116.1168.8-58.786.8000108.1Q291 V292 N294 L303 W305 F316 V318 F365 V381Q291-L363 WeakPolarHBondContact CA-O 3.29Å; V292-L363 HydrophobicContact CB-CB 4.34Å; V292-L363 PolarHBondContact N-O 3.03Å; V292-L363 PolarHBondContact O-N 2.9Å; N294-L363 VanDerWaalsContact ND2-CD1 3.31Å; N294-L363 WeakPolarHBondContact ND2-CD1 3.4Å; L303-L363 HydrophobicContact CD1-CD1 4.3Å; L303-L363 HydrophobicContact CD2-CD1 3.86Å; L303-L363 HydrophobicContact CD2-CG 4.29Å; L303-L363 HydrophobicContact CG-CD1 4.43Å; W305-L363 HydrophobicContact CB-CD2 3.73Å; W305-L363 HydrophobicContact CD2-CD2 4.03Å; W305-L363 HydrophobicContact CE3-CD2 3.98Å; W305-L363 HydrophobicContact CG-CD2 3.95Å; F316-L363 HydrophobicContact CE2-CB 4.04Å; F316-L363 HydrophobicContact CE2-CD2 4.08Å; F316-L363 HydrophobicContact CZ-CD2 4.06Å; V318-L363 HydrophobicContact CG2-CG 4.3Å; L363-F365 HydrophobicContact CB-CE2 4.48Å; L363-V381 HydrophobicContact CD1-CG1 3.81Å; L363-V381 HydrophobicContact CD1-CG2 4.4Å; L363-V381 HydrophobicContact CD2-CG1 4Å; L363-V381 HydrophobicContact CD2-CG2 3.71Å
364R95.9Very high88.5Confident42 Ų4255.9 Ų55.916%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-111.1119.7-174.3-175.2177.2176.9-149.3-15.1110.8S289 L290 Q291 F316 G317 F319 D366S289-R364 PolarHBondContact OG-NE 2.85Å; S289-R364 VanDerWaalsContact OG-NE 3.14Å; L290-R364 CarbonylContact O-C 3.5Å; L290-R364 WeakPolarHBondContact O-CA 3.35Å; Q291-R364 HydrophobicContact CG-CB 4.33Å; Q291-R364 HydrophobicContact CG-CG 4.03Å; F316-R364 WeakPolarHBondContact CA-O 3.41Å; G317-R364 PolarHBondContact N-O 3.29Å; G317-R364 PolarHBondContact O-N 3.44Å; F319-R364 HydrophobicContact CD2-CB 4.03Å; F319-R364 HydrophobicContact CE2-CB 3.89Å; R364-D366 IonicContact CZ-OD2 2.63Å; R364-D366 IonicContact NH2-OD2 3.5Å; R364-D366 PolarHBondContact NH2-OD2 2.9Å
365F95.4Very high88.2Confident1 Ų155 Ų550%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-101.5113.6172-58.4-88.9000109.9S289 L290 V292 F307 V314 G315 F316 L363 L377 Y379S289-F365 CarbonylContact C-O 3.56Å; S289-F365 WeakPolarHBondContact CA-O 3.47Å; S289-F365 WeakPolarHBondContact CB-O 3.44Å; L290-F365 HydrophobicContact CB-CB 4.26Å; L290-F365 HydrophobicContact CB-CD2 4.45Å; L290-F365 HydrophobicContact CD2-CD2 4.12Å; L290-F365 HydrophobicContact CG-CD2 4.43Å; L290-F365 PolarHBondContact N-O 2.93Å; L290-F365 PolarHBondContact O-N 3.14Å; V292-F365 HydrophobicContact CG2-CE2 4.23Å; F307-F365 HydrophobicContact CB-CE1 3.98Å; F307-F365 HydrophobicContact CB-CZ 4.34Å; F307-F365 AromaticContact CD1-CE1 3.64Å; F307-F365 HydrophobicContact CD1-CE1 3.64Å; F307-F365 HydrophobicContact CD1-CZ 4.19Å; F307-F365 AromaticContact CD2-CE1 3.94Å; F307-F365 HydrophobicContact CD2-CE1 3.94Å; F307-F365 HydrophobicContact CE1-CE1 4.02Å; F307-F365 HydrophobicContact CE2-CE1 4.3Å; F307-F365 AromaticContact CG-CE1 3.59Å; F307-F365 HydrophobicContact CG-CE1 3.59Å; F307-F365 HydrophobicContact CG-CZ 4.3Å; F307-F365 HydrophobicContact CZ-CE1 4.34Å; V314-F365 HydrophobicContact CG1-CD1 4.43Å; V314-F365 HydrophobicContact CG2-CB 4.12Å; G315-F365 CarbonylContact O-C 3.45Å; G315-F365 WeakPolarHBondContact O-CA 3.17Å; F316-F365 AromaticContact CD2-CD1 3.69Å; F316-F365 HydrophobicContact CD2-CD1 3.69Å; F316-F365 AromaticContact CD2-CE1 3.39Å; F316-F365 HydrophobicContact CD2-CE1 3.39Å; F316-F365 HydrophobicContact CD2-CE2 4.45Å; F316-F365 HydrophobicContact CD2-CG 4.33Å; F316-F365 AromaticContact CD2-CZ 3.82Å; F316-F365 HydrophobicContact CD2-CZ 3.82Å; F316-F365 HydrophobicContact CE2-CD1 4.44Å; F316-F365 AromaticContact CE2-CE1 3.79Å; F316-F365 HydrophobicContact CE2-CE1 3.79Å; F316-F365 HydrophobicContact CE2-CE2 4.37Å; F316-F365 AromaticContact CE2-CZ 3.75Å; F316-F365 HydrophobicContact CE2-CZ 3.75Å; F316-F365 HydrophobicContact CG-CE1 4.37Å; L363-F365 HydrophobicContact CB-CE2 4.48Å; F365-L377 HydrophobicContact CB-CD2 3.78Å; F365-L377 HydrophobicContact CD1-CD1 3.82Å; F365-L377 HydrophobicContact CD1-CD2 3.53Å; F365-L377 HydrophobicContact CD1-CG 4.33Å; F365-L377 HydrophobicContact CD2-CD2 3.62Å; F365-L377 HydrophobicContact CE1-CD1 3.94Å; F365-L377 HydrophobicContact CE1-CD2 3.93Å; F365-L377 HydrophobicContact CE2-CD2 4.02Å; F365-L377 HydrophobicContact CG-CD1 4.48Å; F365-L377 HydrophobicContact CG-CD2 3.35Å; F365-L377 HydrophobicContact CZ-CD2 4.16Å; F365-Y379 HydrophobicContact CE2-CG 4.46Å; F365-Y379 HydrophobicContact CZ-CG 4.42Å
366D92.6Very high88Confident8 Ų859.8 Ų59.84%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-109.3113.4-168.7-162.4-13000112.3V314 G315 R364 T368V314-D366 WeakPolarHBondContact CG2-O 3.37Å; G315-D366 PolarHBondContact N-O 2.86Å; G315-D366 PolarHBondContact O-N 2.94Å; R364-D366 IonicContact CZ-OD2 2.63Å; R364-D366 IonicContact NH2-OD2 3.5Å; R364-D366 PolarHBondContact NH2-OD2 2.9Å; D366-T368 VanDerWaalsContact CG-OG1 3.22Å; D366-T368 WeakPolarHBondContact OD1-CB 3.45Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.47Å; D366-T368 PolarHBondContact OD1-N 3.36Å; D366-T368 PolarHBondContact OD1-OG1 3.45Å; D366-T368 PolarHBondContact OD2-OG1 3.16Å
367N91.8Very high88.1Confident3 Ų353.4 Ų53.42%0.01626%0.263CS..  trans-107.324.4174.3-16929.2000111.9V284 G285 G287 S288 Y369 S370 H373 K375V284-N367 HydrophobicContact CB-CB 4.28Å; V284-N367 HydrophobicContact CG1-CB 3.67Å; V284-N367 PolarHBondContact O-ND2 2.9Å; G285-N367 PolarHBondContact O-ND2 3.21Å; G285-N367 VanDerWaalsContact O-ND2 3.15Å; G287-N367 PolarHBondContact N-O 2.75Å; G287-N367 VanDerWaalsContact N-O 3.13Å; S288-N367 CarbonylContact O-C 3.45Å; S288-N367 WeakPolarHBondContact O-CA 3.29Å; S288-N367 PolarHBondContact O-N 3.34Å; N367-Y369 PolarHBondContact O-N 2.86Å; N367-S370 PolarHBondContact O-N 2.95Å; N367-S370 WeakPolarHBondContact OD1-CB 3.35Å; N367-H373 PolarHBondContact ND2-O 2.88Å; N367-K375 HydrophobicContact CB-CG 4.44Å; N367-K375 VanDerWaalsContact CG-CG 3.5Å; N367-K375 WeakPolarHBondContact ND2-CG 3.34Å; N367-K375 WeakPolarHBondContact OD1-CG 3.48Å
368T80.4Confident88.2Confident62 Ų6248.3 Ų48.338%0.3824%0.241SC..THydrogen-bonded Turntrans-67.3-18.517952.10000113.6D366D366-T368 VanDerWaalsContact CG-OG1 3.22Å; D366-T368 WeakPolarHBondContact OD1-CB 3.45Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.47Å; D366-T368 PolarHBondContact OD1-N 3.36Å; D366-T368 PolarHBondContact OD1-OG1 3.45Å; D366-T368 PolarHBondContact OD2-OG1 3.16Å
369Y74.9Confident88.3Confident119 Ų11946.6 Ų46.647%0.46722%0.222SC..THydrogen-bonded Turntrans-89.5-15.3-178.2-48.2-76.1000114.9N367 R371N367-Y369 PolarHBondContact O-N 2.86Å; Y369-R371 PolarHBondContact O-N 2.91Å
370S75.4Confident88.4Confident20 Ų2046 Ų4614%0.1422%0.215CC..  trans-69.7126.9179174.40000110.4R286 N367 H373R286-S370 WeakPolarHBondContact CG-O 3.35Å; N367-S370 PolarHBondContact O-N 2.95Å; N367-S370 WeakPolarHBondContact OD1-CB 3.35Å; S370-H373 PolarHBondContact OG-N 3.27Å; S370-H373 PolarHBondContact OG-O 2.89Å
371R67.5Low88.4Confident214 Ų21446.9 Ų46.981%0.80822%0.221SC*.SBendtrans-85.3-20.7-179.1-71.2-174.3169.2-177.6-3113.7R286 Y369R286-R371 PolarHBondContact NE-O 2.92Å; R286-R371 VanDerWaalsContact NE-O 3.16Å; R286-R371 PolarHBondContact NH1-O 3.27Å; R286-R371 PolarHBondContact NH2-O 2.9Å; Y369-R371 PolarHBondContact O-N 2.91Å
372M66.3Low88.3Confident146 Ų14648.4 Ų48.472%0.71923%0.228SC*.SBendtrans-137.4-22.3-168.5-62-159.1-71.100116.4
373H79.9Confident88.3Confident121 Ų12150.9 Ų50.956%0.5624%0.243SC*.  trans-137.3145.1-170.3-55.5-60.8000114.6N367 S370N367-H373 PolarHBondContact ND2-O 2.88Å; S370-H373 PolarHBondContact OG-N 3.27Å; S370-H373 PolarHBondContact OG-O 2.89Å
374A87.2Confident88.2Confident51 Ų5151.4 Ų51.442%0.42125%0.246SC..  trans-65.8155.7162.900000110.2V284V284-A374 WeakPolarHBondContact O-CA 3.31Å
375K89Confident88.2Confident31 Ų3154 Ų5414%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-117.2123.5-178.2-63.2-62.3-173.5-175.30109.7S283 V284 L309 G311 N367 L377S283-K375 CarbonylContact C-O 3.55Å; S283-K375 WeakPolarHBondContact CA-O 2.93Å; V284-K375 PolarHBondContact N-O 2.9Å; V284-K375 PolarHBondContact O-N 2.73Å; L309-K375 HydrophobicContact CD2-CB 4.43Å; G311-K375 VanDerWaalsContact O-CD 3.29Å; G311-K375 WeakPolarHBondContact O-CD 3.43Å; G311-K375 PolarHBondContact O-NZ 3.48Å; N367-K375 HydrophobicContact CB-CG 4.44Å; N367-K375 VanDerWaalsContact CG-CG 3.5Å; N367-K375 WeakPolarHBondContact ND2-CG 3.34Å; N367-K375 WeakPolarHBondContact OD1-CG 3.48Å; K375-L377 PolarHBondContact O-N 3.39Å
376K92.5Very high88.1Confident101 Ų10155.3 Ų55.344%0.43927%0.271SS..EExtended strand (participates in β ladder)trans-83.6115.4170.8-176.4158154-114.10108.4T281 L309 D310T281-K376 HydrophobicContact CG2-CD 4.05Å; T281-K376 HydrophobicContact CG2-CG 3.8Å; L309-K376 WeakPolarHBondContact CA-O 3.42Å; D310-K376 HydrophobicContact CB-CB 4.19Å; D310-K376 PolarHBondContact N-O 2.91Å; D310-K376 VanDerWaalsContact N-O 3.14Å; D310-K376 IonicContact OD1-NZ 2.94Å; D310-K376 WeakPolarHBondContact OD2-CB 3.35Å; D310-K376 WeakPolarHBondContact OD2-CD 3.38Å; D310-K376 WeakPolarHBondContact OD2-CE 3.28Å; D310-K376 WeakPolarHBondContact OD2-CG 3.49Å; D310-K376 IonicContact OD2-NZ 2.93Å; D310-K376 PolarHBondContact OD2-NZ 3.24Å
377L93.7Very high88.3Confident1 Ų155.8 Ų55.81%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-111.3124.5-177173.675.2000108.4T281 V282 V284 L290 F307 L309 F365 K375 Y379T281-L377 CarbonylContact C-O 3.56Å; T281-L377 WeakPolarHBondContact CA-O 3.48Å; V282-L377 PolarHBondContact N-O 3.35Å; V282-L377 PolarHBondContact O-N 2.76Å; V284-L377 HydrophobicContact CG2-CB 4.25Å; V284-L377 HydrophobicContact CG2-CD2 4.26Å; L290-L377 HydrophobicContact CD2-CD2 3.95Å; F307-L377 HydrophobicContact CB-CD1 3.96Å; F307-L377 HydrophobicContact CD2-CD1 3.9Å; F307-L377 HydrophobicContact CG-CD1 4.27Å; L309-L377 HydrophobicContact CD2-CB 4.14Å; L309-L377 HydrophobicContact CD2-CD1 3.74Å; L309-L377 HydrophobicContact CG-CD1 4.47Å; F365-L377 HydrophobicContact CB-CD2 3.78Å; F365-L377 HydrophobicContact CD1-CD1 3.82Å; F365-L377 HydrophobicContact CD1-CD2 3.53Å; F365-L377 HydrophobicContact CD1-CG 4.33Å; F365-L377 HydrophobicContact CD2-CD2 3.62Å; F365-L377 HydrophobicContact CE1-CD1 3.94Å; F365-L377 HydrophobicContact CE1-CD2 3.93Å; F365-L377 HydrophobicContact CE2-CD2 4.02Å; F365-L377 HydrophobicContact CG-CD1 4.48Å; F365-L377 HydrophobicContact CG-CD2 3.35Å; F365-L377 HydrophobicContact CZ-CD2 4.16Å; K375-L377 PolarHBondContact O-N 3.39Å; L377-Y379 HydrophobicContact CD2-CD1 3.87Å; L377-Y379 HydrophobicContact CD2-CE1 4.46Å; L377-Y379 HydrophobicContact CG-CD1 4.06Å
378S94.9Very high88.3Confident15 Ų1562.7 Ų62.711%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-107.9129.8169.3-64.20000109H280 T281 F307 A308H280-S378 CarbonylContact O-C 3.51Å; H280-S378 VanDerWaalsContact O-CA 3.23Å; H280-S378 WeakPolarHBondContact O-CA 3.47Å; T281-S378 PolarHBondContact OG1-OG 2.77Å; F307-S378 CarbonylContact C-O 3.57Å; F307-S378 WeakPolarHBondContact CA-O 3.36Å; F307-S378 WeakPolarHBondContact CB-O 3.4Å; A308-S378 PolarHBondContact N-O 3.18Å; A308-S378 PolarHBondContact O-N 2.94Å
379Y95.5Very high88.9Confident21 Ų2162.6 Ų62.68%0.08231%0.309CS..EExtended strand (participates in β ladder)trans-149.9160.3-17573.5-89.5000113.6E279 H280 V282 L290 V292 Q306 F365 L377 V381E279-Y379 PolarHBondContact N-O 2.79Å; H280-Y379 HydrophobicContact CB-CD1 4.09Å; H280-Y379 HydrophobicContact CB-CD2 4.47Å; H280-Y379 HydrophobicContact CB-CE1 3.66Å; H280-Y379 HydrophobicContact CB-CE2 4.09Å; H280-Y379 HydrophobicContact CB-CG 4.48Å; H280-Y379 AromaticContact CD2-CE2 3.72Å; H280-Y379 AromaticContact CD2-CZ 3.95Å; H280-Y379 AromaticContact CG-CZ 3.99Å; H280-Y379 PolarHBondContact N-O 2.9Å; H280-Y379 PolarHBondContact O-N 3.49Å; V282-Y379 HydrophobicContact CG2-CE1 4.14Å; L290-Y379 HydrophobicContact CD2-CD1 4.37Å; L290-Y379 HydrophobicContact CD2-CE1 3.62Å; V292-Y379 HydrophobicContact CG1-CE2 4.4Å; V292-Y379 HydrophobicContact CG2-CE2 3.74Å; Q306-Y379 CarbonylContact O-C 3.55Å; Q306-Y379 VanDerWaalsContact O-CA 3.22Å; Q306-Y379 WeakPolarHBondContact O-CA 3.32Å; F365-Y379 HydrophobicContact CE2-CG 4.46Å; F365-Y379 HydrophobicContact CZ-CG 4.42Å; L377-Y379 HydrophobicContact CD2-CD1 3.87Å; L377-Y379 HydrophobicContact CD2-CE1 4.46Å; L377-Y379 HydrophobicContact CG-CD1 4.06Å; Y379-V381 HydrophobicContact CD2-CG2 3.91Å; Y379-V381 HydrophobicContact CE2-CG2 4.22Å
380T95.7Very high89.7Confident2 Ų257.1 Ų57.11%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-134.8137.3168.5-67.30000108.1Y278 E279 W305 Q306 E382Y278-T380 WeakPolarHBondContact CA-OG1 3.19Å; E279-T380 HydrophobicContact CG-CG2 4.14Å; E279-T380 PolarHBondContact N-OG1 2.85Å; E279-T380 WeakPolarHBondContact OE1-CG2 3.38Å; W305-T380 VanDerWaalsContact CA-O 3.28Å; W305-T380 WeakPolarHBondContact CA-O 3.46Å; Q306-T380 PolarHBondContact N-O 3.26Å; Q306-T380 PolarHBondContact O-N 2.84Å; T380-E382 HydrophobicContact CG2-CG 3.97Å
381V96.1Very high90.4Very high19 Ų1959.1 Ų59.112%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-131.5129.5174.1-178.50000108.3V292 L303 R304 W305 L363 Y379V292-V381 HydrophobicContact CG1-CG2 4.33Å; L303-V381 HydrophobicContact CD1-CG1 3.7Å; R304-V381 CarbonylContact O-C 3.38Å; R304-V381 WeakPolarHBondContact O-CA 3.47Å; W305-V381 HydrophobicContact CB-CG2 4.17Å; L363-V381 HydrophobicContact CD1-CG1 3.81Å; L363-V381 HydrophobicContact CD1-CG2 4.4Å; L363-V381 HydrophobicContact CD2-CG1 4Å; L363-V381 HydrophobicContact CD2-CG2 3.71Å; Y379-V381 HydrophobicContact CD2-CG2 3.91Å; Y379-V381 HydrophobicContact CE2-CG2 4.22Å
382E95.6Very high91.6Very high40 Ų4054.9 Ų54.919%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-130.7139.4-177.2-67.4162.8121.100109.9K165 R304 T380 L384K165-E382 IonicContact NZ-OE1 2.62Å; K165-E382 PolarHBondContact NZ-OE1 2.9Å; K165-E382 IonicContact NZ-OE2 2.8Å; R304-E382 IonicContact CZ-OE2 3.2Å; R304-E382 PolarHBondContact N-O 2.94Å; R304-E382 IonicContact NE-OE2 3.3Å; R304-E382 PolarHBondContact NE-OE2 3.05Å; R304-E382 IonicContact NH2-OE1 2.68Å; R304-E382 PolarHBondContact NH2-OE1 3.32Å; R304-E382 VanDerWaalsContact NH2-OE1 3.17Å; R304-E382 IonicContact NH2-OE2 2.69Å; R304-E382 PolarHBondContact NH2-OE2 3.46Å; R304-E382 PolarHBondContact O-N 3.03Å; T380-E382 HydrophobicContact CG2-CG 3.97Å; E382-L384 HydrophobicContact CB-CD2 3.83Å
383V96.1Very high92.9Very high51 Ų5150.7 Ų50.731%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-100.9110.8169.2-178.90000108.2N294 I296 C301 L303 L385N294-V383 HydrophobicContact CB-CG2 4.2Å; I296-V383 HydrophobicContact CD1-CB 4.5Å; I296-V383 HydrophobicContact CD1-CG1 3.72Å; I296-V383 HydrophobicContact CD1-CG2 3.9Å; C301-V383 HydrophobicContact CB-CG1 4.05Å; L303-V383 HydrophobicContact CD1-CG2 3.96Å; V383-L385 HydrophobicContact CG1-CD2 4Å
384L95.9Very high93.4Very high11 Ų1145.5 Ų45.56%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-91.9106.7-178.7-40.2179.9000108.6L163 V200 L204 C301 V302 R304 E382L163-L384 HydrophobicContact CB-CD1 4.37Å; L163-L384 HydrophobicContact CD1-CD1 4.38Å; V200-L384 HydrophobicContact CG1-CB 3.69Å; L204-L384 HydrophobicContact CD1-CD1 4.21Å; L204-L384 HydrophobicContact CD2-CB 4.42Å; L204-L384 HydrophobicContact CD2-CD1 4.36Å; L204-L384 HydrophobicContact CD2-CD2 4Å; L204-L384 HydrophobicContact CD2-CG 4.48Å; C301-L384 CarbonylContact C-O 3.49Å; C301-L384 VanDerWaalsContact CA-O 3.3Å; C301-L384 WeakPolarHBondContact CA-O 3.3Å; C301-L384 VanDerWaalsContact CB-O 3.29Å; C301-L384 WeakPolarHBondContact CB-O 3.08Å; V302-L384 HydrophobicContact CB-CB 4.18Å; V302-L384 HydrophobicContact CB-CD1 4.3Å; V302-L384 HydrophobicContact CB-CG 4.44Å; V302-L384 HydrophobicContact CG1-CD1 4.14Å; V302-L384 PolarHBondContact N-O 3.09Å; V302-L384 PolarHBondContact O-N 3.14Å; R304-L384 HydrophobicContact CB-CD1 4.03Å; R304-L384 HydrophobicContact CB-CG 4.28Å; E382-L384 HydrophobicContact CB-CD2 3.83Å
385L95.4Very high93.5Very high97 Ų9748.6 Ų48.651%0.50825%0.249SC..  trans-80.3147.6-177.7-61176.5000111.5N203 C301 V383N203-L385 VanDerWaalsContact CB-O 3.29Å; N203-L385 WeakPolarHBondContact CB-O 3.27Å; N203-L385 PolarHBondContact ND2-O 3.13Å; C301-L385 HydrophobicContact CB-CD2 4.01Å; V383-L385 HydrophobicContact CG1-CD2 4Å
386P94.9Very high93.6Very high28 Ų2849.8 Ų49.818%0.18226%0.261CS..  trans-70.2148.7169.430.1-33.6000111.4P199 V200 K388P199-P386 HydrophobicContact CB-CB 3.74Å; V200-P386 HydrophobicContact CG2-CB 3.97Å; P386-K388 PolarHBondContact O-N 2.94Å
387D95.4Very high93.5Very high18 Ų1846.9 Ų46.910%0.09625%0.25CS..  trans-77.1113.9166.9174.276.2000110.4P199 F202 N203 K206 A389 S390 E391P199-D387 PolarHBondContact O-N 3.21Å; F202-D387 HydrophobicContact CD1-CB 4.05Å; N203-D387 HydrophobicContact CB-CB 3.92Å; K206-D387 HydrophobicContact CD-CB 4.36Å; K206-D387 WeakPolarHBondContact CD-OD1 3.39Å; K206-D387 IonicContact NZ-OD1 2.71Å; K206-D387 PolarHBondContact NZ-OD1 3.22Å; D387-A389 VanDerWaalsContact C-N 3.34Å; D387-A389 PolarHBondContact O-N 3.04Å; D387-A389 PolarHBondContact OD2-N 2.76Å; D387-S390 WeakPolarHBondContact CB-OG 3.4Å; D387-S390 PolarHBondContact O-N 2.75Å; D387-S390 PolarHBondContact O-OG 2.88Å; D387-S390 WeakPolarHBondContact OD2-CB 3.44Å; D387-S390 PolarHBondContact OD2-N 2.88Å; D387-S390 PolarHBondContact OD2-OG 3.44Å; D387-S390 VanDerWaalsContact OD2-OG 3.09Å; D387-E391 WeakPolarHBondContact O-CB 3.5Å; D387-E391 PolarHBondContact O-N 3.06Å
388K92.8Very high93.1Very high149 Ų14950.4 Ų50.465%0.64827%0.266SS*.Hα-helixtrans-56.4-42.9-174.3-66.7-172176.9-174.20113.7P386 E391 E392P386-K388 PolarHBondContact O-N 2.94Å; K388-E391 WeakPolarHBondContact O-CB 3.01Å; K388-E391 PolarHBondContact O-N 3.14Å; K388-E392 WeakPolarHBondContact O-CG 3.17Å; K388-E392 PolarHBondContact O-N 2.83Å
389A92.3Very high92.5Very high59 Ų5953.6 Ų53.649%0.48829%0.293SS..Hα-helixtrans-65.5-44.3-176.800000111.9D387 E391 T393D387-A389 VanDerWaalsContact C-N 3.34Å; D387-A389 PolarHBondContact O-N 3.04Å; D387-A389 PolarHBondContact OD2-N 2.76Å; A389-E391 VanDerWaalsContact C-N 3.33Å; A389-T393 WeakPolarHBondContact O-CB 3.18Å; A389-T393 PolarHBondContact O-N 2.88Å; A389-T393 PolarHBondContact O-OG1 2.62Å
390S90.8Very high91.6Very high4 Ų459.7 Ų59.73%0.02832%0.324CS..Hα-helixtrans-67.9-33.1174.9680000112.7P199 D387 T393 L394P199-S390 WeakPolarHBondContact CA-OG 3.32Å; P199-S390 WeakPolarHBondContact CB-OG 3.47Å; D387-S390 WeakPolarHBondContact CB-OG 3.4Å; D387-S390 PolarHBondContact O-N 2.75Å; D387-S390 PolarHBondContact O-OG 2.88Å; D387-S390 WeakPolarHBondContact OD2-CB 3.44Å; D387-S390 PolarHBondContact OD2-N 2.88Å; D387-S390 PolarHBondContact OD2-OG 3.44Å; D387-S390 VanDerWaalsContact OD2-OG 3.09Å; S390-T393 PolarHBondContact O-N 2.8Å; S390-L394 WeakPolarHBondContact O-CG 3.09Å; S390-L394 PolarHBondContact O-N 2.9Å
391E91.8Very high90.3Very high62 Ų6266.1 Ų66.129%0.2935%0.348SS..Hα-helixtrans-64.7-49174.2-177.5171-15000111.7P199 D387 K388 A389 T393 L394 Q395P199-E391 HydrophobicContact CB-CB 4.05Å; P199-E391 HydrophobicContact CG-CB 3.88Å; D387-E391 WeakPolarHBondContact O-CB 3.5Å; D387-E391 PolarHBondContact O-N 3.06Å; K388-E391 WeakPolarHBondContact O-CB 3.01Å; K388-E391 PolarHBondContact O-N 3.14Å; A389-E391 VanDerWaalsContact C-N 3.33Å; E391-T393 VanDerWaalsContact C-N 3.3Å; E391-T393 PolarHBondContact O-N 3.33Å; E391-L394 PolarHBondContact O-N 2.84Å; E391-Q395 WeakPolarHBondContact O-CG 3.43Å; E391-Q395 PolarHBondContact O-N 2.78Å
392E93Very high88.4Confident125 Ų12570.9 Ų70.958%0.58438%0.379SS*.Hα-helixtrans-58.7-41.8174.9-73.3168.9-17000111.5K388 Q395 S396K388-E392 WeakPolarHBondContact O-CG 3.17Å; K388-E392 PolarHBondContact O-N 2.83Å; E392-Q395 PolarHBondContact O-N 2.87Å; E392-S396 PolarHBondContact O-N 3.18Å; E392-S396 PolarHBondContact O-OG 3.15Å
393T92.3Very high86.1Confident58 Ų5873.7 Ų73.736%0.35640%0.403SS..Hα-helixtrans-61.3-44.7175.4-57.60000111.6I219 A389 S390 E391 Q395 S396 L397I219-T393 HydrophobicContact CB-CG2 4.26Å; I219-T393 HydrophobicContact CD1-CG2 4.14Å; A389-T393 WeakPolarHBondContact O-CB 3.18Å; A389-T393 PolarHBondContact O-N 2.88Å; A389-T393 PolarHBondContact O-OG1 2.62Å; S390-T393 PolarHBondContact O-N 2.8Å; E391-T393 VanDerWaalsContact C-N 3.3Å; E391-T393 PolarHBondContact O-N 3.33Å; T393-Q395 VanDerWaalsContact C-N 3.33Å; T393-Q395 PolarHBondContact O-N 3.13Å; T393-S396 PolarHBondContact O-N 3.25Å; T393-S396 PolarHBondContact O-OG 2.63Å; T393-L397 HydrophobicContact CG2-CD1 4.06Å; T393-L397 WeakPolarHBondContact O-CB 3.41Å; T393-L397 VanDerWaalsContact O-CG 3.24Å; T393-L397 WeakPolarHBondContact O-CG 3.41Å; T393-L397 PolarHBondContact O-N 3.12Å
394L90.7Very high83.9Confident12 Ų1277 Ų776%0.06343%0.426CS..Hα-helixtrans-68.1-33.1177.2-73.1178000112.9A194 F198 P199 I219 S390 E391 K398A194-L394 HydrophobicContact CB-CD1 4.38Å; A194-L394 HydrophobicContact CB-CD2 3.68Å; F198-L394 HydrophobicContact CB-CD1 4.07Å; F198-L394 HydrophobicContact CD1-CD1 3.92Å; F198-L394 HydrophobicContact CG-CD1 4.4Å; P199-L394 HydrophobicContact CG-CD1 3.84Å; I219-L394 HydrophobicContact CG2-CD2 3.7Å; S390-L394 WeakPolarHBondContact O-CG 3.09Å; S390-L394 PolarHBondContact O-N 2.9Å; E391-L394 PolarHBondContact O-N 2.84Å; L394-K398 VanDerWaalsContact O-CG 3.29Å; L394-K398 WeakPolarHBondContact O-CG 3.4Å; L394-K398 PolarHBondContact O-N 3.44Å
395Q90.2Very high81.4Confident117 Ų11783.1 Ų83.155%0.54746%0.464SS..Hα-helixtrans-68.6-43.7175.7-71.5177.211.200111.1E391 E392 T393 K398 A399E391-Q395 WeakPolarHBondContact O-CG 3.43Å; E391-Q395 PolarHBondContact O-N 2.78Å; E392-Q395 PolarHBondContact O-N 2.87Å; T393-Q395 VanDerWaalsContact C-N 3.33Å; T393-Q395 PolarHBondContact O-N 3.13Å; Q395-K398 PolarHBondContact O-N 3.3Å; Q395-A399 PolarHBondContact O-N 3.46Å
396S90.9Very high78.7Confident55 Ų5591.1 Ų91.139%0.38550%0.499SS..Hα-helixtrans-64.3-43.6178.469.90000112E392 T393 K398 A399 M400E392-S396 PolarHBondContact O-N 3.18Å; E392-S396 PolarHBondContact O-OG 3.15Å; T393-S396 PolarHBondContact O-N 3.25Å; T393-S396 PolarHBondContact O-OG 2.63Å; S396-K398 VanDerWaalsContact C-N 3.29Å; S396-K398 PolarHBondContact O-N 3.16Å; S396-A399 PolarHBondContact O-N 2.94Å; S396-A399 VanDerWaalsContact O-N 3.11Å; S396-M400 WeakPolarHBondContact O-CG 3.44Å; S396-M400 PolarHBondContact O-N 2.98Å
397L89.3Confident77.9Confident40 Ų4094.3 Ų94.321%0.20952%0.515CS..Hα-helixtrans-60.9-36.2175.7-71.1170.4000112.5I219 T393I219-L397 HydrophobicContact CB-CD1 4.27Å; I219-L397 HydrophobicContact CG2-CD1 3.86Å; I219-L397 WeakPolarHBondContact O-CD1 3.41Å; T393-L397 HydrophobicContact CG2-CD1 4.06Å; T393-L397 WeakPolarHBondContact O-CB 3.41Å; T393-L397 VanDerWaalsContact O-CG 3.24Å; T393-L397 WeakPolarHBondContact O-CG 3.41Å; T393-L397 PolarHBondContact O-N 3.12Å
398K85.5Confident76.9Confident75 Ų7598.3 Ų98.333%0.32654%0.537SS..Hα-helixtrans-73.2-31175.1-75.1171.7-174166.50113.1L394 Q395 S396 M400 R401L394-K398 VanDerWaalsContact O-CG 3.29Å; L394-K398 WeakPolarHBondContact O-CG 3.4Å; L394-K398 PolarHBondContact O-N 3.44Å; Q395-K398 PolarHBondContact O-N 3.3Å; S396-K398 VanDerWaalsContact C-N 3.29Å; S396-K398 PolarHBondContact O-N 3.16Å; K398-M400 VanDerWaalsContact C-N 3.3Å; K398-R401 WeakPolarHBondContact O-CB 3.12Å; K398-R401 VanDerWaalsContact O-CD 3.31Å; K398-R401 WeakPolarHBondContact O-CD 3.45Å; K398-R401 WeakPolarHBondContact O-CG 3.26Å; K398-R401 PolarHBondContact O-N 3.21Å
399A81.9Confident76.1Confident82 Ų8295.5 Ų95.568%0.67853%0.531SS*.Hα-helixtrans-71.8-25.5177.700000112.5Q395 S396 R401Q395-A399 PolarHBondContact O-N 3.46Å; S396-A399 PolarHBondContact O-N 2.94Å; S396-A399 VanDerWaalsContact O-N 3.11Å; A399-R401 PolarHBondContact O-N 2.8Å
400M76.3Confident75.1Confident149 Ų14997.6 Ų97.673%0.73453%0.533SS*.THydrogen-bonded Turntrans-73.74.9175.1-67.8179.5-179.700114.1S396 K398 P402S396-M400 WeakPolarHBondContact O-CG 3.44Å; S396-M400 PolarHBondContact O-N 2.98Å; K398-M400 VanDerWaalsContact C-N 3.3Å; M400-P402 WeakPolarHBondContact O-CD 3.4Å
401R69.5Low74.1Confident138 Ų138103.5 Ų103.552%0.52157%0.565SS.*PPolyproline II helixtrans-62.2125.8172.5-75.5173.6-176.7-156.1-11.5109.9D222 K398 A399 S403D222-R401 VanDerWaalsContact CG-NH2 3.3Å; D222-R401 IonicContact OD1-CZ 2.64Å; D222-R401 IonicContact OD1-NH2 2.66Å; D222-R401 PolarHBondContact OD1-NH2 3.47Å; D222-R401 WeakPolarHBondContact OD2-CG 3.48Å; D222-R401 IonicContact OD2-CZ 3.34Å; D222-R401 IonicContact OD2-NE 3.21Å; D222-R401 PolarHBondContact OD2-NE 2.62Å; D222-R401 IonicContact OD2-NH2 3.27Å; D222-R401 PolarHBondContact OD2-NH2 3.5Å; K398-R401 WeakPolarHBondContact O-CB 3.12Å; K398-R401 VanDerWaalsContact O-CD 3.31Å; K398-R401 WeakPolarHBondContact O-CD 3.45Å; K398-R401 WeakPolarHBondContact O-CG 3.26Å; K398-R401 PolarHBondContact O-N 3.21Å; A399-R401 PolarHBondContact O-N 2.8Å; R401-S403 PolarHBondContact O-N 2.75Å
402P55.7Low72.9Confident118 Ų118106.3 Ų106.377%0.76658%0.583SS**PPolyproline II helixtrans-58.6132.9159.62.85.6000107.8M400M400-P402 WeakPolarHBondContact O-CD 3.4Å
403S48Very low71.5Confident100 Ų100104.9 Ų104.970%0.69958%0.583SS**PPolyproline II helixtrans-51.8136.3171340000108.9R401 T405R401-S403 PolarHBondContact O-N 2.75Å; S403-T405 PolarHBondContact O-N 2.97Å
404P48.7Very low69.9Low121 Ų121108.5 Ų108.579%0.78660%0.6SS**PPolyproline II helixtrans-58117.6169.22.45000106.3Q406P404-Q406 PolarHBondContact O-N 3.47Å
405T45.1Very low68.2Low139 Ų139116.6 Ų116.685%0.85365%0.645SS**PPolyproline II helixtrans-57.3121171.9-7.70000106.3S403S403-T405 PolarHBondContact O-N 2.97Å
406Q37.3Very low66.2Low265 Ų265116.5 Ų116.5100%1.23865%0.654SS**  trans-630177.9-79.7-177.5-11.400111.8P404P404-Q406 PolarHBondContact O-N 3.47Å

Retrieved 406 of 406 residues in 352.3 ms (Link to these results)

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