A0A096MT07_PAPAN Loading...

ETS transcription factor ELK4

AlphaFold DB (G7MES9), UniProt , Accession A0A096MT07, Species PAPAN (Papio anubis, Olive baboon), Gene ELK4, Length 431 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
1M40.5Very low83.1Confident237 Ų23762.7 Ų62.7100%1.16736%0.36SS*.  0122.40-73.2-178.117400108.6S3M1-S3 PolarHBondContact O-N 2.87Å
2D54.9Low84.1Confident147 Ų14759.3 Ų59.379%0.78634%0.34SS*.  trans-82.695.5-179.5-65.5-29.6000110.5A4D2-A4 PolarHBondContact O-N 2.8Å
3S66.8Low84.9Confident76 Ų7661.8 Ų61.853%0.53135%0.347SS..  trans-56.1132.8170.7370000110M1 I5 R48M1-S3 PolarHBondContact O-N 2.87Å; S3-I5 PolarHBondContact O-N 3.31Å; S3-R48 PolarHBondContact O-NH1 3.32Å; S3-R48 PolarHBondContact O-NH2 3.07Å; S3-R48 PolarHBondContact OG-NH2 3.33Å
4A84.8Confident85.7Confident94 Ų9458.6 Ų58.678%0.77733%0.328SS*.  trans-73.648.2-164.600000114.4D2D2-A4 PolarHBondContact O-N 2.8Å
5I92.2Very high86.4Confident20 Ų2055.7 Ų55.710%0.10331%0.312CS..  trans-64.2137-176.9-161.2167.4000111.7S3 Q9 F10 W45 R48 K49S3-I5 PolarHBondContact O-N 3.31Å; I5-Q9 HydrophobicContact CD1-CB 4.45Å; I5-Q9 HydrophobicContact CG1-CB 3.86Å; I5-F10 HydrophobicContact CD1-CB 3.95Å; I5-F10 HydrophobicContact CG1-CB 4.23Å; I5-W45 HydrophobicContact CG2-CZ3 4.12Å; I5-R48 HydrophobicContact CG2-CG 3.95Å; I5-R48 VanDerWaalsContact CG2-CZ 3.4Å; I5-K49 HydrophobicContact CG2-CD 4.13Å; I5-K49 PolarHBondContact O-NZ 2.95Å
6T94.8Very high86.8Confident43 Ų4361.8 Ų61.826%0.26434%0.336SS..  trans-91.8162.3170.665.70000111.1W8 Q9 F10T6-W8 VanDerWaalsContact C-N 3.32Å; T6-W8 PolarHBondContact O-N 3.39Å; T6-W8 VanDerWaalsContact OG1-CD1 3.26Å; T6-W8 PolarHBondContact OG1-NE1 2.71Å; T6-Q9 PolarHBondContact O-N 3.29Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.41Å; T6-Q9 PolarHBondContact OG1-OE1 3.25Å; T6-F10 WeakPolarHBondContact O-CB 3.1Å; T6-F10 PolarHBondContact O-N 2.73Å
7L96.3Very high87.2Confident4 Ų464.4 Ų64.42%0.02134%0.344CS..Hα-helixtrans-62.5-38.7-179.6173.764.1000112F10 L11 W45 L59 A62 L63 Y66L7-F10 HydrophobicContact CD1-CD1 4.16Å; L7-F10 PolarHBondContact O-N 2.7Å; L7-L11 HydrophobicContact CD1-CD1 3.98Å; L7-L11 HydrophobicContact CD1-CD2 4.38Å; L7-L11 HydrophobicContact CD1-CG 3.93Å; L7-L11 HydrophobicContact CG-CD1 3.93Å; L7-L11 HydrophobicContact CG-CG 4.33Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.18Å; L7-L11 PolarHBondContact O-N 2.97Å; L7-W45 HydrophobicContact CB-CH2 4.04Å; L7-W45 HydrophobicContact CB-CZ2 3.78Å; L7-W45 HydrophobicContact CD1-CD2 3.77Å; L7-W45 HydrophobicContact CD1-CE3 4.2Å; L7-W45 HydrophobicContact CD1-CG 3.94Å; L7-W45 HydrophobicContact CD1-CZ2 4.42Å; L7-L59 HydrophobicContact CD1-CD1 3.86Å; L7-L59 HydrophobicContact CD1-CD2 4.39Å; L7-L59 HydrophobicContact CD1-CG 3.88Å; L7-L59 HydrophobicContact CD2-CD2 4.22Å; L7-L59 HydrophobicContact CD2-CG 3.96Å; L7-A62 HydrophobicContact CD2-CB 3.62Å; L7-L63 HydrophobicContact CD2-CD2 4.13Å; L7-L63 HydrophobicContact CD2-CG 4.23Å; L7-Y66 HydrophobicContact CB-CE2 4Å; L7-Y66 HydrophobicContact CD2-CE2 4.23Å; L7-Y66 HydrophobicContact CG-CE2 4.24Å; L7-Y66 PolarHBondContact N-OH 3.09Å
8W95.7Very high87.4Confident9 Ų965.8 Ų65.83%0.03436%0.357CS..Hα-helixtrans-65.8-42.2-179.473.7-104.9000112T6 F10 L11 L12 Y66 I71 I72 F84 I90 P95 V98T6-W8 VanDerWaalsContact C-N 3.32Å; T6-W8 PolarHBondContact O-N 3.39Å; T6-W8 VanDerWaalsContact OG1-CD1 3.26Å; T6-W8 PolarHBondContact OG1-NE1 2.71Å; W8-F10 VanDerWaalsContact C-N 3.35Å; W8-F10 PolarHBondContact O-N 2.86Å; W8-L11 PolarHBondContact O-N 3.44Å; W8-L12 HydrophobicContact CE3-CD2 4.45Å; W8-L12 HydrophobicContact CZ3-CD2 4.1Å; W8-L12 WeakPolarHBondContact O-CB 3.47Å; W8-L12 PolarHBondContact O-N 3.46Å; W8-Y66 HydrophobicContact CB-CD2 4.42Å; W8-Y66 HydrophobicContact CB-CE2 3.82Å; W8-Y66 AromaticContact CD1-CZ 3.86Å; W8-Y66 PolarHBondContact N-OH 3.49Å; W8-I71 HydrophobicContact CB-CG2 3.99Å; W8-I71 HydrophobicContact CD2-CG2 4.25Å; W8-I71 HydrophobicContact CG-CG2 3.81Å; W8-I72 HydrophobicContact CB-CD1 4.1Å; W8-F84 HydrophobicContact CB-CE1 4.18Å; W8-F84 HydrophobicContact CE3-CE1 4.43Å; W8-I90 HydrophobicContact CD2-CD1 4.11Å; W8-I90 HydrophobicContact CE3-CD1 3.64Å; W8-I90 HydrophobicContact CE3-CG1 3.99Å; W8-I90 HydrophobicContact CH2-CD1 4.36Å; W8-I90 HydrophobicContact CH2-CG1 3.95Å; W8-I90 HydrophobicContact CZ3-CD1 3.79Å; W8-I90 HydrophobicContact CZ3-CG1 3.58Å; W8-P95 HydrophobicContact CZ2-CB 3.99Å; W8-V98 HydrophobicContact CD2-CG1 4.46Å; W8-V98 HydrophobicContact CH2-CB 4.49Å; W8-V98 HydrophobicContact CH2-CG1 4.44Å; W8-V98 HydrophobicContact CH2-CG2 3.92Å; W8-V98 HydrophobicContact CZ2-CB 3.77Å; W8-V98 HydrophobicContact CZ2-CG1 3.79Å; W8-V98 HydrophobicContact CZ2-CG2 3.65Å
9Q95.1Very high87.8Confident50 Ų5070.6 Ų70.623%0.23438%0.377CS..Hα-helixtrans-63.3-40.4173.8-70167.7-5600112I5 T6 L12 Q13I5-Q9 HydrophobicContact CD1-CB 4.45Å; I5-Q9 HydrophobicContact CG1-CB 3.86Å; T6-Q9 PolarHBondContact O-N 3.29Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.41Å; T6-Q9 PolarHBondContact OG1-OE1 3.25Å; Q9-L12 PolarHBondContact O-N 2.84Å; Q9-Q13 WeakPolarHBondContact O-CB 3.4Å; Q9-Q13 PolarHBondContact O-N 2.81Å
10F96.2Very high88Confident10 Ų1068.1 Ų68.14%0.04436%0.364CS..Hα-helixtrans-63.6-46.4177.6168-99.8000112.1I5 T6 L7 W8 L12 Q13 L14 V41 L44 W45 R48I5-F10 HydrophobicContact CD1-CB 3.95Å; I5-F10 HydrophobicContact CG1-CB 4.23Å; T6-F10 WeakPolarHBondContact O-CB 3.1Å; T6-F10 PolarHBondContact O-N 2.73Å; L7-F10 HydrophobicContact CD1-CD1 4.16Å; L7-F10 PolarHBondContact O-N 2.7Å; W8-F10 VanDerWaalsContact C-N 3.35Å; W8-F10 PolarHBondContact O-N 2.86Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 2.76Å; F10-Q13 PolarHBondContact O-N 2.8Å; F10-L14 HydrophobicContact CD1-CD1 4.32Å; F10-L14 HydrophobicContact CE1-CD1 3.58Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 HydrophobicContact CE2-CD1 4.31Å; F10-L14 HydrophobicContact CE2-CD2 4.16Å; F10-L14 HydrophobicContact CE2-CG 4.17Å; F10-L14 HydrophobicContact CZ-CD1 3.58Å; F10-L14 HydrophobicContact CZ-CD2 4.14Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3.08Å; F10-V41 HydrophobicContact CE1-CG1 4.34Å; F10-L44 HydrophobicContact CZ-CB 3.81Å; F10-W45 HydrophobicContact CB-CE3 3.79Å; F10-W45 HydrophobicContact CB-CZ3 3.66Å; F10-W45 HydrophobicContact CD1-CB 4.17Å; F10-W45 HydrophobicContact CD1-CD2 4.21Å; F10-W45 AromaticContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CG 4.49Å; F10-W45 HydrophobicContact CD1-CZ3 4.3Å; F10-W45 HydrophobicContact CD2-CE3 4.1Å; F10-W45 HydrophobicContact CE1-CB 3.64Å; F10-W45 HydrophobicContact CE1-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CG 4.41Å; F10-W45 AromaticContact CG-CE3 3.52Å; F10-W45 HydrophobicContact CG-CE3 3.52Å; F10-W45 AromaticContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CZ-CB 4.11Å; F10-R48 HydrophobicContact CD2-CB 4.16Å; F10-R48 HydrophobicContact CD2-CG 3.84Å; F10-R48 HydrophobicContact CE2-CB 3.93Å; F10-R48 HydrophobicContact CE2-CG 4.08Å
11L97.1Very high88.3Confident0 Ų071.5 Ų71.50%038%0.375CS..Hα-helixtrans-62.2-40.4177-68170.7000111.6L7 W8 L14 L15 I24 F33 L35 V41 L63 I72L7-L11 HydrophobicContact CD1-CD1 3.98Å; L7-L11 HydrophobicContact CD1-CD2 4.38Å; L7-L11 HydrophobicContact CD1-CG 3.93Å; L7-L11 HydrophobicContact CG-CD1 3.93Å; L7-L11 HydrophobicContact CG-CG 4.33Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.18Å; L7-L11 PolarHBondContact O-N 2.97Å; W8-L11 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.02Å; L11-L15 WeakPolarHBondContact O-CB 3.12Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.94Å; L11-I24 HydrophobicContact CB-CD1 4.33Å; L11-I24 HydrophobicContact CD2-CD1 3.8Å; L11-F33 HydrophobicContact CD1-CZ 4.34Å; L11-L35 HydrophobicContact CD2-CD2 4.17Å; L11-V41 HydrophobicContact CD2-CG1 3.47Å; L11-V41 VanDerWaalsContact CD2-CG1 3.47Å; L11-L63 HydrophobicContact CD1-CD2 3.71Å; L11-I72 HydrophobicContact CD1-CD1 4.49Å
12L94.9Very high90.9Very high22 Ų2265.7 Ų65.712%0.11535%0.345CS..Hα-helixtrans-62.5-44.1174.6-171.866.9000111.9W8 Q9 F10 L14 L15 Q16 W26 F84 Y87 L91W8-L12 HydrophobicContact CE3-CD2 4.45Å; W8-L12 HydrophobicContact CZ3-CD2 4.1Å; W8-L12 WeakPolarHBondContact O-CB 3.47Å; W8-L12 PolarHBondContact O-N 3.46Å; Q9-L12 PolarHBondContact O-N 2.84Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 2.76Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.99Å; L12-L15 PolarHBondContact O-N 3.23Å; L12-Q16 PolarHBondContact O-N 2.82Å; L12-W26 HydrophobicContact CD1-CH2 3.96Å; L12-W26 HydrophobicContact CD1-CZ2 3.99Å; L12-F84 HydrophobicContact CB-CZ 4.19Å; L12-F84 HydrophobicContact CD1-CE2 4.34Å; L12-F84 HydrophobicContact CD1-CZ 4.31Å; L12-Y87 HydrophobicContact CD1-CE2 4.45Å; L12-L91 HydrophobicContact CD1-CD2 3.75Å; L12-L91 HydrophobicContact CD2-CD2 3.8Å; L12-L91 HydrophobicContact CG-CD2 4.1Å
13Q94.6Very high92.9Very high92 Ų9259 Ų5943%0.4331%0.309SS..Hα-helixtrans-64.5-34.4175.2-170.3-177.628.600112.4Q9 F10Q9-Q13 WeakPolarHBondContact O-CB 3.4Å; Q9-Q13 PolarHBondContact O-N 2.81Å; F10-Q13 PolarHBondContact O-N 2.8Å
14L96.1Very high94.4Very high17 Ų1755.5 Ų55.59%0.08928%0.284CS..Hα-helixtrans-67.8-46.3172.3-68.2-175.5000111.3F10 L11 L12 Q16 K17 N20 I24 V41F10-L14 HydrophobicContact CD1-CD1 4.32Å; F10-L14 HydrophobicContact CE1-CD1 3.58Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 HydrophobicContact CE2-CD1 4.31Å; F10-L14 HydrophobicContact CE2-CD2 4.16Å; F10-L14 HydrophobicContact CE2-CG 4.17Å; F10-L14 HydrophobicContact CZ-CD1 3.58Å; F10-L14 HydrophobicContact CZ-CD2 4.14Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.02Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.99Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.96Å; L14-K17 PolarHBondContact O-N 2.96Å; L14-K17 VanDerWaalsContact O-N 3.15Å; L14-N20 WeakPolarHBondContact CA-ND2 3.42Å; L14-N20 WeakPolarHBondContact CD2-ND2 2.99Å; L14-N20 WeakPolarHBondContact O-CB 3.47Å; L14-N20 PolarHBondContact O-ND2 3.34Å; L14-I24 HydrophobicContact CB-CG2 3.74Å; L14-I24 HydrophobicContact CD1-CG2 4.39Å; L14-V41 HydrophobicContact CD1-CG1 3.85Å; L14-V41 HydrophobicContact CD1-CG2 4.39Å
15L95.9Very high95Very high15 Ų1552.4 Ų52.48%0.07926%0.257CS..Hα-helixtrans-60.7-31.2-179.3-84.8162.3000113.9L11 L12 K17 I24 W26 F33 F84L11-L15 WeakPolarHBondContact O-CB 3.12Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.23Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-I24 HydrophobicContact CD1-CD1 4.1Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.33Å; L15-I24 HydrophobicContact CD2-CG1 3.81Å; L15-I24 HydrophobicContact CG-CD1 3.83Å; L15-I24 HydrophobicContact CG-CG1 3.87Å; L15-I24 HydrophobicContact CG-CG2 4.49Å; L15-W26 HydrophobicContact CB-CZ2 3.82Å; L15-W26 HydrophobicContact CD1-CD2 4.36Å; L15-W26 HydrophobicContact CD1-CE3 4.32Å; L15-W26 HydrophobicContact CD1-CH2 3.78Å; L15-W26 HydrophobicContact CD1-CZ2 3.81Å; L15-W26 HydrophobicContact CD1-CZ3 4.03Å; L15-W26 HydrophobicContact CD2-CD2 3.97Å; L15-W26 HydrophobicContact CD2-CE3 4.49Å; L15-W26 HydrophobicContact CD2-CG 4.1Å; L15-W26 HydrophobicContact CG-CZ2 4.26Å; L15-F33 HydrophobicContact CD1-CB 3.76Å; L15-F33 HydrophobicContact CD1-CD1 4.22Å; L15-F33 HydrophobicContact CD1-CD2 4.09Å; L15-F33 HydrophobicContact CD1-CG 3.78Å; L15-F33 HydrophobicContact CD2-CB 3.97Å; L15-F84 HydrophobicContact CD1-CE2 4.11Å
16Q93.6Very high95.2Very high152 Ų15255.3 Ų55.371%0.7127%0.267SS*.Hα-helixtrans-77-18.7178.9-158.9169.240.200113.2L12 L14L12-Q16 PolarHBondContact O-N 2.82Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.96Å
17K92.7Very high95.3Very high106 Ų10656.1 Ų56.146%0.46127%0.272SS..SBendtrans-93.3116.8179.2-72.2-175.9176.1-169.90111.2L14 L15 Q19 N20L14-K17 PolarHBondContact O-N 2.96Å; L14-K17 VanDerWaalsContact O-N 3.15Å; L15-K17 VanDerWaalsContact C-N 3.34Å; K17-Q19 PolarHBondContact O-N 2.82Å; K17-Q19 VanDerWaalsContact O-N 3.1Å; K17-N20 PolarHBondContact O-N 3.03Å
18P92Very high95.2Very high90 Ų9058.3 Ų58.358%0.58429%0.287SS*.G310 helixtrans-64.3-22.2-174.325.4-34.6000114.2N20 K21P18-N20 PolarHBondContact O-N 3.49Å; P18-K21 HydrophobicContact CB-CD 4.38Å; P18-K21 WeakPolarHBondContact O-CB 3.07Å; P18-K21 VanDerWaalsContact O-CG 3.26Å; P18-K21 WeakPolarHBondContact O-CG 3.45Å; P18-K21 PolarHBondContact O-N 2.95Å
19Q93.4Very high95Very high157 Ų15765.1 Ų65.173%0.73433%0.325SS*.G310 helixtrans-58.5-32.5173.8-68.7169.1-29.600112.7K17 K21 H22K17-Q19 PolarHBondContact O-N 2.82Å; K17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-K21 VanDerWaalsContact C-N 3.32Å; Q19-K21 PolarHBondContact O-N 3.09Å; Q19-H22 PolarHBondContact O-CE1 2.83Å; Q19-H22 PolarHBondContact O-ND1 3.05Å
20N93.5Very high94.9Very high21 Ų2165.2 Ų65.211%0.11233%0.327CS..G310 helixtrans-84.6-0.5-176.1-58.3-34.5000113.8L14 K17 P18 H22 M23 I24L14-N20 WeakPolarHBondContact CA-ND2 3.42Å; L14-N20 WeakPolarHBondContact CD2-ND2 2.99Å; L14-N20 WeakPolarHBondContact O-CB 3.47Å; L14-N20 PolarHBondContact O-ND2 3.34Å; K17-N20 PolarHBondContact O-N 3.03Å; P18-N20 PolarHBondContact O-N 3.49Å; N20-H22 PolarHBondContact O-N 2.88Å; N20-M23 HydrophobicContact CB-CG 4.07Å; N20-M23 HydrophobicContact CB-SD 4.35Å; N20-M23 WeakPolarHBondContact O-CG 3.45Å; N20-M23 PolarHBondContact O-N 2.79Å; N20-I24 HydrophobicContact CB-CG2 4.1Å; N20-I24 PolarHBondContact O-N 2.96Å; N20-I24 VanDerWaalsContact O-O 3.13Å
21K94Very high94.8Very high140 Ų14064.8 Ų64.861%0.60933%0.325SS*.G310 helixtrans-54-25.4-176.8-78.7176.3176.9-175.80114.3P18 Q19 I24 L36P18-K21 HydrophobicContact CB-CD 4.38Å; P18-K21 WeakPolarHBondContact O-CB 3.07Å; P18-K21 VanDerWaalsContact O-CG 3.26Å; P18-K21 WeakPolarHBondContact O-CG 3.45Å; P18-K21 PolarHBondContact O-N 2.95Å; Q19-K21 VanDerWaalsContact C-N 3.32Å; Q19-K21 PolarHBondContact O-N 3.09Å; K21-I24 WeakPolarHBondContact CA-O 3.41Å; K21-L36 WeakPolarHBondContact O-CD1 3.26Å
22H95.5Very high94.8Very high114 Ų11466.1 Ų66.153%0.52833%0.331SS..G310 helixtrans-74.5-22.1177.970.2-90.3000113.9Q19 N20 L36Q19-H22 PolarHBondContact O-CE1 2.83Å; Q19-H22 PolarHBondContact O-ND1 3.05Å; N20-H22 PolarHBondContact O-N 2.88Å; H22-L36 WeakPolarHBondContact O-CB 3.43Å
23M96.6Very high95Very high7 Ų765 Ų653%0.03433%0.325CS..THydrogen-bonded Turntrans-110.5-31.5-179.764.9172.174.900113.2N20 L35 L36 Q37 E40 V41 L44N20-M23 HydrophobicContact CB-CG 4.07Å; N20-M23 HydrophobicContact CB-SD 4.35Å; N20-M23 WeakPolarHBondContact O-CG 3.45Å; N20-M23 PolarHBondContact O-N 2.79Å; M23-L35 CarbonylContact O-C 3.55Å; M23-L36 PolarHBondContact O-N 3.38Å; M23-Q37 HydrophobicContact CB-CB 3.91Å; M23-Q37 PolarHBondContact O-N 3.18Å; M23-Q37 VanDerWaalsContact O-N 3.09Å; M23-E40 HydrophobicContact CB-CG 4.48Å; M23-E40 HydrophobicContact CE-CG 3.57Å; M23-E40 HydrophobicContact SD-CG 4.12Å; M23-V41 HydrophobicContact CB-CG2 4.04Å; M23-V41 HydrophobicContact CG-CG2 4Å; M23-V41 HydrophobicContact SD-CG2 3.99Å; M23-L44 HydrophobicContact CE-CD1 3.66Å; M23-L44 HydrophobicContact SD-CD1 3.45Å; M23-L44 WeakPolarHBondContact SD-CD1 3.32Å
24I97.9Very high95.1Very high2 Ų264.3 Ų64.31%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-149.2131.3179.7-167.5175000110.4L11 L14 L15 N20 K21 F33 K34 L35 V41L11-I24 HydrophobicContact CB-CD1 4.33Å; L11-I24 HydrophobicContact CD2-CD1 3.8Å; L14-I24 HydrophobicContact CB-CG2 3.74Å; L14-I24 HydrophobicContact CD1-CG2 4.39Å; L15-I24 HydrophobicContact CD1-CD1 4.1Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.33Å; L15-I24 HydrophobicContact CD2-CG1 3.81Å; L15-I24 HydrophobicContact CG-CD1 3.83Å; L15-I24 HydrophobicContact CG-CG1 3.87Å; L15-I24 HydrophobicContact CG-CG2 4.49Å; N20-I24 HydrophobicContact CB-CG2 4.1Å; N20-I24 PolarHBondContact O-N 2.96Å; N20-I24 VanDerWaalsContact O-O 3.13Å; K21-I24 WeakPolarHBondContact CA-O 3.41Å; I24-F33 HydrophobicContact CD1-CD2 4.07Å; I24-F33 HydrophobicContact CD1-CE2 4.28Å; I24-F33 HydrophobicContact CG1-CD2 4.2Å; I24-K34 WeakPolarHBondContact CA-O 3.36Å; I24-L35 HydrophobicContact CB-CD2 4.33Å; I24-L35 HydrophobicContact CD1-CD2 3.56Å; I24-L35 HydrophobicContact CG1-CD2 3.82Å; I24-V41 HydrophobicContact CB-CG2 4.07Å
25C96.9Very high95.2Very high30 Ų3063.5 Ų63.520%0.20332%0.316CS..EExtended strand (participates in β ladder)trans-145.2151.9-177.562.50000112.6F33 K34C25-F33 CarbonylContact O-C 3.52Å; C25-F33 VanDerWaalsContact O-CA 3.26Å; C25-F33 WeakPolarHBondContact O-CA 3.43Å; C25-F33 WeakPolarHBondContact O-CB 3.26Å; C25-K34 PolarHBondContact N-O 3.19Å; C25-K34 PolarHBondContact O-N 3.34Å
26W97.3Very high95.3Very high80 Ų8066.3 Ų66.330%0.30333%0.331SS..EExtended strand (participates in β ladder)trans-66.6136164.6-61.2111.4000109.4L12 L15 F33 F84 Y87L12-W26 HydrophobicContact CD1-CH2 3.96Å; L12-W26 HydrophobicContact CD1-CZ2 3.99Å; L15-W26 HydrophobicContact CB-CZ2 3.82Å; L15-W26 HydrophobicContact CD1-CD2 4.36Å; L15-W26 HydrophobicContact CD1-CE3 4.32Å; L15-W26 HydrophobicContact CD1-CH2 3.78Å; L15-W26 HydrophobicContact CD1-CZ2 3.81Å; L15-W26 HydrophobicContact CD1-CZ3 4.03Å; L15-W26 HydrophobicContact CD2-CD2 3.97Å; L15-W26 HydrophobicContact CD2-CE3 4.49Å; L15-W26 HydrophobicContact CD2-CG 4.1Å; L15-W26 HydrophobicContact CG-CZ2 4.26Å; W26-F33 HydrophobicContact CE3-CB 3.9Å; W26-F33 HydrophobicContact CZ3-CB 4.16Å; W26-F33 HydrophobicContact CZ3-CD1 4.41Å; W26-F84 AromaticContact CH2-CD2 3.86Å; W26-F84 HydrophobicContact CH2-CD2 3.86Å; W26-F84 AromaticContact CH2-CE2 3.91Å; W26-F84 HydrophobicContact CH2-CE2 3.91Å; W26-F84 AromaticContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CE2 4.2Å; W26-Y87 AromaticContact CH2-CD2 3.97Å; W26-Y87 HydrophobicContact CH2-CD2 3.97Å; W26-Y87 AromaticContact CH2-CE2 3.51Å; W26-Y87 HydrophobicContact CH2-CE2 3.51Å; W26-Y87 AromaticContact CZ2-CE2 3.8Å; W26-Y87 HydrophobicContact CZ2-CE2 3.8Å; W26-Y87 HydrophobicContact CZ3-CD2 4.47Å; W26-Y87 HydrophobicContact CZ3-CE2 4.24Å
27T95.3Very high95.5Very high61 Ų6164.5 Ų64.537%0.37432%0.323SS..SBendtrans-105.3-22.5175.5-550000111Q32 K34T27-Q32 PolarHBondContact N-O 3.42Å; T27-K34 WeakPolarHBondContact OG1-CB 3.46Å
28S94.3Very high95.8Very high50 Ų5059.9 Ų59.935%0.3530%0.304SS..SBendtrans-151.1163.7170.7-64.30000110.1D30 Q32S28-D30 WeakPolarHBondContact CB-OD1 3.21Å; S28-D30 PolarHBondContact O-N 2.89Å; S28-Q32 PolarHBondContact N-O 3.3Å
29N92.1Very high96Very high152 Ų15260.8 Ų60.881%0.81330%0.301SS*.THydrogen-bonded Turntrans-74.5-9.2-179.460.3-46.8000113.9G31 Y87N29-G31 VanDerWaalsContact C-N 3.26Å; N29-G31 PolarHBondContact O-N 3.29Å; N29-Y87 WeakPolarHBondContact O-CE1 3.44Å
30D92.3Very high96.2Very high52 Ų5256 Ų5628%0.27828%0.279SS..THydrogen-bonded Turntrans-8413.7-177.175.8-29.2000114.3S28 Q32 K83S28-D30 WeakPolarHBondContact CB-OD1 3.21Å; S28-D30 PolarHBondContact O-N 2.89Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; D30-Q32 PolarHBondContact OD1-N 2.97Å; D30-K83 WeakPolarHBondContact O-CE 3.34Å; D30-K83 PolarHBondContact O-NZ 3.32Å; D30-K83 WeakPolarHBondContact OD2-CD 3.38Å; D30-K83 WeakPolarHBondContact OD2-CE 3.35Å; D30-K83 IonicContact OD2-NZ 2.7Å; D30-K83 PolarHBondContact OD2-NZ 2.89Å
31G94.8Very high96.5Very high0 Ų055 Ų550%027%0.273CS..SBendtrans86.17.3-173.200000115.2N29 K83 F84N29-G31 VanDerWaalsContact C-N 3.26Å; N29-G31 PolarHBondContact O-N 3.29Å; G31-K83 WeakPolarHBondContact O-CA 2.95Å; G31-F84 PolarHBondContact O-N 3.43Å
32Q97.8Very high96.7Very high28 Ų2848.4 Ų48.413%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-77.4127.8172.9-167.9-177.113300112.5T27 S28 D30 V75 V81 Y82 K83T27-Q32 PolarHBondContact N-O 3.42Å; S28-Q32 PolarHBondContact N-O 3.3Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; D30-Q32 PolarHBondContact OD1-N 2.97Å; Q32-V75 HydrophobicContact CG-CG2 4.03Å; Q32-V81 HydrophobicContact CG-CG1 3.68Å; Q32-Y82 CarbonylContact C-O 3.51Å; Q32-Y82 WeakPolarHBondContact CA-O 3.18Å; Q32-K83 HydrophobicContact CB-CB 4.36Å; Q32-K83 HydrophobicContact CG-CB 4.5Å
33F98.1Very high96.8Very high0 Ų048.8 Ų48.80%024%0.241CC..EExtended strand (participates in β ladder)trans-134.4157.2179.571.3-87.6000113.1L11 L15 I24 C25 W26 L35 I72 V81 Y82 F84L11-F33 HydrophobicContact CD1-CZ 4.34Å; L15-F33 HydrophobicContact CD1-CB 3.76Å; L15-F33 HydrophobicContact CD1-CD1 4.22Å; L15-F33 HydrophobicContact CD1-CD2 4.09Å; L15-F33 HydrophobicContact CD1-CG 3.78Å; L15-F33 HydrophobicContact CD2-CB 3.97Å; I24-F33 HydrophobicContact CD1-CD2 4.07Å; I24-F33 HydrophobicContact CD1-CE2 4.28Å; I24-F33 HydrophobicContact CG1-CD2 4.2Å; C25-F33 CarbonylContact O-C 3.52Å; C25-F33 VanDerWaalsContact O-CA 3.26Å; C25-F33 WeakPolarHBondContact O-CA 3.43Å; C25-F33 WeakPolarHBondContact O-CB 3.26Å; W26-F33 HydrophobicContact CE3-CB 3.9Å; W26-F33 HydrophobicContact CZ3-CB 4.16Å; W26-F33 HydrophobicContact CZ3-CD1 4.41Å; F33-L35 HydrophobicContact CE2-CD2 4.48Å; F33-L35 HydrophobicContact CE2-CG 4.46Å; F33-I72 HydrophobicContact CE1-CD1 4.31Å; F33-I72 HydrophobicContact CE1-CG2 4.35Å; F33-I72 HydrophobicContact CZ-CD1 4.18Å; F33-I72 HydrophobicContact CZ-CG2 4.45Å; F33-V81 WeakPolarHBondContact O-CA 3.35Å; F33-V81 WeakPolarHBondContact O-CG1 3.49Å; F33-Y82 HydrophobicContact CZ-CG 4.36Å; F33-Y82 PolarHBondContact N-O 2.96Å; F33-Y82 PolarHBondContact O-N 3.25Å; F33-F84 AromaticContact CD1-CD2 3.68Å; F33-F84 HydrophobicContact CD1-CD2 3.68Å; F33-F84 AromaticContact CD1-CE2 3.63Å; F33-F84 HydrophobicContact CD1-CE2 3.63Å; F33-F84 AromaticContact CE1-CD2 3.63Å; F33-F84 HydrophobicContact CE1-CD2 3.63Å; F33-F84 AromaticContact CE1-CE2 3.44Å; F33-F84 HydrophobicContact CE1-CE2 3.44Å; F33-F84 VanDerWaalsContact CE1-CE2 3.44Å; F33-F84 HydrophobicContact CE1-CG 4.48Å; F33-F84 HydrophobicContact CE1-CZ 4.17Å; F33-F84 HydrophobicContact CZ-CE2 4.27Å
34K98.1Very high96.8Very high76 Ų7650.5 Ų50.533%0.3325%0.25SS..EExtended strand (participates in β ladder)trans-124.9133.4179.9-173.6168.7-174.5178.80110.9I24 C25 T27 L36 V81I24-K34 WeakPolarHBondContact CA-O 3.36Å; C25-K34 PolarHBondContact N-O 3.19Å; C25-K34 PolarHBondContact O-N 3.34Å; T27-K34 WeakPolarHBondContact OG1-CB 3.46Å; K34-L36 HydrophobicContact CD-CD2 3.78Å; K34-L36 HydrophobicContact CG-CD2 3.98Å; K34-L36 PolarHBondContact O-N 3.15Å; K34-V81 HydrophobicContact CB-CG2 3.93Å; K34-V81 HydrophobicContact CD-CG2 3.73Å; K34-V81 HydrophobicContact CG-CG2 3.68Å
35L98.1Very high96.8Very high0 Ų051.6 Ų51.60%025%0.254CS..EExtended strand (participates in β ladder)trans-84.6105.3165.4-56.8164.4000107.4L11 M23 I24 F33 A38 V41 Y56 L63 F80 Y82L11-L35 HydrophobicContact CD2-CD2 4.17Å; M23-L35 CarbonylContact O-C 3.55Å; I24-L35 HydrophobicContact CB-CD2 4.33Å; I24-L35 HydrophobicContact CD1-CD2 3.56Å; I24-L35 HydrophobicContact CG1-CD2 3.82Å; F33-L35 HydrophobicContact CE2-CD2 4.48Å; F33-L35 HydrophobicContact CE2-CG 4.46Å; L35-A38 HydrophobicContact CB-CB 4Å; L35-V41 HydrophobicContact CD2-CB 4.05Å; L35-V41 HydrophobicContact CD2-CG1 3.78Å; L35-V41 HydrophobicContact CD2-CG2 3.89Å; L35-Y56 HydrophobicContact CD1-CD2 4.28Å; L35-Y56 HydrophobicContact CD1-CE2 3.72Å; L35-L63 HydrophobicContact CD1-CD1 4.33Å; L35-F80 HydrophobicContact CB-CB 4.17Å; L35-F80 PolarHBondContact N-O 3.44Å; L35-F80 WeakPolarHBondContact O-CB 3.44Å; L35-Y82 HydrophobicContact CD1-CD2 4.32Å; L35-Y82 HydrophobicContact CD1-CE2 4.14Å
36L97.6Very high96.8Very high74 Ų7450.2 Ų50.239%0.38725%0.245SC..SBendtrans-77.6-44.6176.8-63.9178.6000111K21 H22 M23 K34K21-L36 WeakPolarHBondContact O-CD1 3.26Å; H22-L36 WeakPolarHBondContact O-CB 3.43Å; M23-L36 PolarHBondContact O-N 3.38Å; K34-L36 HydrophobicContact CD-CD2 3.78Å; K34-L36 HydrophobicContact CG-CD2 3.98Å; K34-L36 PolarHBondContact O-N 3.15Å
37Q97.6Very high96.7Very high115 Ų11551.6 Ų51.654%0.53726%0.257SS..SBendtrans-116.978.7174.6-63.1-61.4-19.900108.6M23 E39 E40 V41M23-Q37 HydrophobicContact CB-CB 3.91Å; M23-Q37 PolarHBondContact O-N 3.18Å; M23-Q37 VanDerWaalsContact O-N 3.09Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.98Å; Q37-E40 HydrophobicContact CB-CB 4Å; Q37-E40 PolarHBondContact O-N 3.24Å; Q37-E40 VanDerWaalsContact O-N 3.15Å; Q37-V41 PolarHBondContact O-N 3.3Å
38A97.8Very high96.7Very high9 Ų951.9 Ų51.97%0.07425%0.251CS..Hα-helixtrans-64.2-32.6-168.600000113.8L35 A42 Y56 F80L35-A38 HydrophobicContact CB-CB 4Å; A38-A42 PolarHBondContact O-N 3.42Å; A38-Y56 HydrophobicContact CB-CD1 4.42Å; A38-Y56 HydrophobicContact CB-CD2 3.59Å; A38-Y56 HydrophobicContact CB-CE2 4Å; A38-Y56 HydrophobicContact CB-CG 3.8Å; A38-F80 HydrophobicContact CB-CD1 3.63Å; A38-F80 HydrophobicContact CB-CE1 3.77Å; A38-F80 HydrophobicContact CB-CG 4.41Å
39E97.9Very high96.8Very high108 Ų10853.4 Ų53.451%0.50525%0.252SS..Hα-helixtrans-72.2-35.4174.3-61.6-60164.900112.4Q37 A42 R43 Y56Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.98Å; E39-A42 CarbonylContact O-C 3.53Å; E39-A42 WeakPolarHBondContact O-CA 3.31Å; E39-A42 WeakPolarHBondContact O-CB 3.13Å; E39-A42 PolarHBondContact O-N 3.43Å; E39-A42 VanDerWaalsContact O-N 3.11Å; E39-R43 PolarHBondContact O-N 3.13Å; E39-Y56 VanDerWaalsContact OE1-CB 3.31Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.34Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.4Å; E39-Y56 PolarHBondContact OE2-N 3.15Å
40E97.5Very high96.9Very high58 Ų5852.3 Ų52.327%0.27125%0.246SC..Hα-helixtrans-68.5-39.5178.9178.554.4-157.100111.5M23 Q37 A42 R43 L44M23-E40 HydrophobicContact CB-CG 4.48Å; M23-E40 HydrophobicContact CE-CG 3.57Å; M23-E40 HydrophobicContact SD-CG 4.12Å; Q37-E40 HydrophobicContact CB-CB 4Å; Q37-E40 PolarHBondContact O-N 3.24Å; Q37-E40 VanDerWaalsContact O-N 3.15Å; E40-A42 VanDerWaalsContact C-N 3.25Å; E40-A42 PolarHBondContact O-N 3.48Å; E40-R43 WeakPolarHBondContact O-CB 3.4Å; E40-R43 PolarHBondContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 3.66Å; E40-R43 IonicContact OE1-NE 3.51Å; E40-R43 PolarHBondContact OE1-NE 2.98Å; E40-R43 IonicContact OE1-NH2 3.26Å; E40-R43 PolarHBondContact OE1-NH2 3.17Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 2.68Å; E40-R43 PolarHBondContact OE2-NE 3.43Å; E40-R43 IonicContact OE2-NH2 3.39Å; E40-L44 WeakPolarHBondContact O-CG 3.1Å; E40-L44 PolarHBondContact O-N 3.07Å
41V98.2Very high97.1Very high0 Ų055.8 Ų55.80%026%0.259CS..Hα-helixtrans-61.4-36.3170.3176.80000111.3F10 L11 L14 M23 I24 L35 Q37 W45 L59F10-V41 HydrophobicContact CE1-CG1 4.34Å; L11-V41 HydrophobicContact CD2-CG1 3.47Å; L11-V41 VanDerWaalsContact CD2-CG1 3.47Å; L14-V41 HydrophobicContact CD1-CG1 3.85Å; L14-V41 HydrophobicContact CD1-CG2 4.39Å; M23-V41 HydrophobicContact CB-CG2 4.04Å; M23-V41 HydrophobicContact CG-CG2 4Å; M23-V41 HydrophobicContact SD-CG2 3.99Å; I24-V41 HydrophobicContact CB-CG2 4.07Å; L35-V41 HydrophobicContact CD2-CB 4.05Å; L35-V41 HydrophobicContact CD2-CG1 3.78Å; L35-V41 HydrophobicContact CD2-CG2 3.89Å; Q37-V41 PolarHBondContact O-N 3.3Å; V41-W45 WeakPolarHBondContact O-CB 3.49Å; V41-W45 PolarHBondContact O-N 3.07Å; V41-L59 HydrophobicContact CG1-CD1 4.27Å
42A98.3Very high97.1Very high0 Ų061.1 Ų61.10%029%0.293CS..Hα-helixtrans-72.7-36175.800000113.3A38 E39 E40 W45 G46 M54 L59A38-A42 PolarHBondContact O-N 3.42Å; E39-A42 CarbonylContact O-C 3.53Å; E39-A42 WeakPolarHBondContact O-CA 3.31Å; E39-A42 WeakPolarHBondContact O-CB 3.13Å; E39-A42 PolarHBondContact O-N 3.43Å; E39-A42 VanDerWaalsContact O-N 3.11Å; E40-A42 VanDerWaalsContact C-N 3.25Å; E40-A42 PolarHBondContact O-N 3.48Å; A42-W45 PolarHBondContact O-N 3.46Å; A42-G46 PolarHBondContact O-N 3.43Å; A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.19Å; A42-L59 HydrophobicContact CB-CB 4.16Å; A42-L59 HydrophobicContact CB-CD1 3.92Å
43R97.9Very high97.1Very high123 Ų12366 Ų6646%0.46432%0.32SS..Hα-helixtrans-61.2-46.9172.6-169-170.672.188.54110.8E39 E40 G46 I47E39-R43 PolarHBondContact O-N 3.13Å; E40-R43 WeakPolarHBondContact O-CB 3.4Å; E40-R43 PolarHBondContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 3.66Å; E40-R43 IonicContact OE1-NE 3.51Å; E40-R43 PolarHBondContact OE1-NE 2.98Å; E40-R43 IonicContact OE1-NH2 3.26Å; E40-R43 PolarHBondContact OE1-NH2 3.17Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 2.68Å; E40-R43 PolarHBondContact OE2-NE 3.43Å; E40-R43 IonicContact OE2-NH2 3.39Å; R43-G46 WeakPolarHBondContact O-CA 3.21Å; R43-G46 PolarHBondContact O-N 3.33Å; R43-I47 WeakPolarHBondContact O-CG1 3.34Å; R43-I47 PolarHBondContact O-N 3.46Å
44L97.3Very high97.1Very high42 Ų4268 Ų6822%0.2233%0.33CS..Hα-helixtrans-65.3-37.1175.3-72170.4000112.7F10 M23 E40 G46 I47 R48F10-L44 HydrophobicContact CZ-CB 3.81Å; M23-L44 HydrophobicContact CE-CD1 3.66Å; M23-L44 HydrophobicContact SD-CD1 3.45Å; M23-L44 WeakPolarHBondContact SD-CD1 3.32Å; E40-L44 WeakPolarHBondContact O-CG 3.1Å; E40-L44 PolarHBondContact O-N 3.07Å; L44-G46 VanDerWaalsContact C-N 3.32Å; L44-I47 PolarHBondContact O-N 3.36Å; L44-R48 VanDerWaalsContact O-CB 3.29Å; L44-R48 WeakPolarHBondContact O-CB 3.23Å; L44-R48 PolarHBondContact O-N 3.06Å
45W97.5Very high97.1Very high26 Ų2667 Ų6710%0.09833%0.328CS..Hα-helixtrans-63.9-39.5171.3178.1-125000111.9I5 L7 F10 V41 A42 R48 K49 L59I5-W45 HydrophobicContact CG2-CZ3 4.12Å; L7-W45 HydrophobicContact CB-CH2 4.04Å; L7-W45 HydrophobicContact CB-CZ2 3.78Å; L7-W45 HydrophobicContact CD1-CD2 3.77Å; L7-W45 HydrophobicContact CD1-CE3 4.2Å; L7-W45 HydrophobicContact CD1-CG 3.94Å; L7-W45 HydrophobicContact CD1-CZ2 4.42Å; F10-W45 HydrophobicContact CB-CE3 3.79Å; F10-W45 HydrophobicContact CB-CZ3 3.66Å; F10-W45 HydrophobicContact CD1-CB 4.17Å; F10-W45 HydrophobicContact CD1-CD2 4.21Å; F10-W45 AromaticContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CG 4.49Å; F10-W45 HydrophobicContact CD1-CZ3 4.3Å; F10-W45 HydrophobicContact CD2-CE3 4.1Å; F10-W45 HydrophobicContact CE1-CB 3.64Å; F10-W45 HydrophobicContact CE1-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CG 4.41Å; F10-W45 AromaticContact CG-CE3 3.52Å; F10-W45 HydrophobicContact CG-CE3 3.52Å; F10-W45 AromaticContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CZ-CB 4.11Å; V41-W45 WeakPolarHBondContact O-CB 3.49Å; V41-W45 PolarHBondContact O-N 3.07Å; A42-W45 PolarHBondContact O-N 3.46Å; W45-R48 HydrophobicContact CE3-CB 4.48Å; W45-R48 PolarHBondContact O-N 3.04Å; W45-K49 HydrophobicContact CD2-CG 4.03Å; W45-K49 HydrophobicContact CE3-CG 3.9Å; W45-K49 HydrophobicContact CH2-CD 3.6Å; W45-K49 HydrophobicContact CH2-CG 3.5Å; W45-K49 VanDerWaalsContact CH2-CG 3.5Å; W45-K49 HydrophobicContact CZ2-CD 4.14Å; W45-K49 HydrophobicContact CZ2-CG 3.63Å; W45-K49 HydrophobicContact CZ3-CD 3.86Å; W45-K49 HydrophobicContact CZ3-CG 3.64Å; W45-K49 PolarHBondContact O-N 3.28Å; W45-K49 VanDerWaalsContact O-N 3.16Å; W45-L59 HydrophobicContact CB-CD1 3.91Å; W45-L59 HydrophobicContact CG-CD1 4.15Å
46G97.1Very high97.1Very high1 Ų168.8 Ų68.81%0.0134%0.335CS..Hα-helixtrans-56.5-53.7172.100000111.9A42 R43 L44 R48 K49 N50 K51A42-G46 PolarHBondContact O-N 3.43Å; R43-G46 WeakPolarHBondContact O-CA 3.21Å; R43-G46 PolarHBondContact O-N 3.33Å; L44-G46 VanDerWaalsContact C-N 3.32Å; G46-R48 VanDerWaalsContact C-N 3.34Å; G46-R48 PolarHBondContact O-N 2.97Å; G46-K49 CarbonylContact O-C 3.56Å; G46-K49 PolarHBondContact O-N 3.37Å; G46-N50 WeakPolarHBondContact O-CA 3.2Å; G46-N50 PolarHBondContact O-N 3.29Å; G46-K51 CarbonylContact C-O 3.55Å; G46-K51 WeakPolarHBondContact CA-O 3.44Å; G46-K51 PolarHBondContact O-N 3.29Å
47I96.3Very high97.2Very high109 Ų10969.9 Ų69.956%0.55934%0.341SS*.Hα-helixtrans-56.2-48.5174.7-67.6165.3000110.5R43 L44 K49 N50R43-I47 WeakPolarHBondContact O-CG1 3.34Å; R43-I47 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 3.36Å; I47-K49 PolarHBondContact O-N 2.98Å; I47-K49 VanDerWaalsContact O-N 3.08Å; I47-N50 PolarHBondContact O-N 3.38Å
48R95.3Very high97.2Very high67 Ų6769.5 Ų69.525%0.25334%0.338SS..Hα-helixtrans-64.3-16.9-175.9-174.256.1-174.891.7-7.8114.8S3 I5 F10 L44 W45 G46S3-R48 PolarHBondContact O-NH1 3.32Å; S3-R48 PolarHBondContact O-NH2 3.07Å; S3-R48 PolarHBondContact OG-NH2 3.33Å; I5-R48 HydrophobicContact CG2-CG 3.95Å; I5-R48 VanDerWaalsContact CG2-CZ 3.4Å; F10-R48 HydrophobicContact CD2-CB 4.16Å; F10-R48 HydrophobicContact CD2-CG 3.84Å; F10-R48 HydrophobicContact CE2-CB 3.93Å; F10-R48 HydrophobicContact CE2-CG 4.08Å; L44-R48 VanDerWaalsContact O-CB 3.29Å; L44-R48 WeakPolarHBondContact O-CB 3.23Å; L44-R48 PolarHBondContact O-N 3.06Å; W45-R48 HydrophobicContact CE3-CB 4.48Å; W45-R48 PolarHBondContact O-N 3.04Å; G46-R48 VanDerWaalsContact C-N 3.34Å; G46-R48 PolarHBondContact O-N 2.97Å
49K94.9Very high97.2Very high81 Ų8169.1 Ų69.135%0.35234%0.335SS..THydrogen-bonded Turntrans-121.411.5178.2-61.7-62.3-65.4-170.60113.9I5 W45 G46 I47 K51I5-K49 HydrophobicContact CG2-CD 4.13Å; I5-K49 PolarHBondContact O-NZ 2.95Å; W45-K49 HydrophobicContact CD2-CG 4.03Å; W45-K49 HydrophobicContact CE3-CG 3.9Å; W45-K49 HydrophobicContact CH2-CD 3.6Å; W45-K49 HydrophobicContact CH2-CG 3.5Å; W45-K49 VanDerWaalsContact CH2-CG 3.5Å; W45-K49 HydrophobicContact CZ2-CD 4.14Å; W45-K49 HydrophobicContact CZ2-CG 3.63Å; W45-K49 HydrophobicContact CZ3-CD 3.86Å; W45-K49 HydrophobicContact CZ3-CG 3.64Å; W45-K49 PolarHBondContact O-N 3.28Å; W45-K49 VanDerWaalsContact O-N 3.16Å; G46-K49 CarbonylContact O-C 3.56Å; G46-K49 PolarHBondContact O-N 3.37Å; I47-K49 PolarHBondContact O-N 2.98Å; I47-K49 VanDerWaalsContact O-N 3.08Å; K49-K51 HydrophobicContact CB-CG 4.37Å; K49-K51 PolarHBondContact O-N 3.1Å
50N95.1Very high97.3Very high129 Ų12964.1 Ų64.169%0.6931%0.312SS*.THydrogen-bonded Turntrans46.455.5-172-163.613.5000113.5G46 I47G46-N50 WeakPolarHBondContact O-CA 3.2Å; G46-N50 PolarHBondContact O-N 3.29Å; I47-N50 PolarHBondContact O-N 3.38Å
51K96.3Very high97.3Very high126 Ų12666.6 Ų66.655%0.54832%0.318SS..  trans-127.486.6174.6-61.4-59.4166.9-160.20109G46 K49 N53 M54G46-K51 CarbonylContact C-O 3.55Å; G46-K51 WeakPolarHBondContact CA-O 3.44Å; G46-K51 PolarHBondContact O-N 3.29Å; K49-K51 HydrophobicContact CB-CG 4.37Å; K49-K51 PolarHBondContact O-N 3.1Å; K51-N53 VanDerWaalsContact C-N 3.26Å; K51-N53 PolarHBondContact O-N 2.87Å; K51-M54 HydrophobicContact CB-CB 4.49Å; K51-M54 HydrophobicContact CB-CE 4.13Å; K51-M54 HydrophobicContact CG-CE 4.49Å; K51-M54 VanDerWaalsContact O-CB 3.3Å; K51-M54 WeakPolarHBondContact O-CB 3.2Å; K51-M54 PolarHBondContact O-N 2.95Å
52P95.1Very high97.3Very high111 Ų11168 Ų6872%0.72133%0.33SS*.THydrogen-bonded Turntrans-60.6-36.2-176.922.9-33.3000112.3M54P52-M54 PolarHBondContact O-N 3Å
53N97.1Very high97.3Very high132 Ų13268 Ų6871%0.70633%0.33SS*.THydrogen-bonded Turntrans-8234.3-179.3-57.9-8.5000112.9K51 K58K51-N53 VanDerWaalsContact C-N 3.26Å; K51-N53 PolarHBondContact O-N 2.87Å; N53-K58 WeakPolarHBondContact O-CD 3.44Å; N53-K58 PolarHBondContact O-NZ 3.28Å
54M98.4Very high97.3Very high40 Ų4067.1 Ų67.120%0.19733%0.327CS..  trans-89.3137.3175.5-172.961.967.900110.4A42 K51 P52 K58A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.19Å; K51-M54 HydrophobicContact CB-CB 4.49Å; K51-M54 HydrophobicContact CB-CE 4.13Å; K51-M54 HydrophobicContact CG-CE 4.49Å; K51-M54 VanDerWaalsContact O-CB 3.3Å; K51-M54 WeakPolarHBondContact O-CB 3.2Å; K51-M54 PolarHBondContact O-N 2.95Å; P52-M54 PolarHBondContact O-N 3Å; M54-K58 HydrophobicContact SD-CB 3.74Å
55N98.5Very high97.3Very high57 Ų5772 Ų7231%0.30534%0.343SS..  trans-144.6172.3178.467-2000110.2D57 K58 L59N55-D57 VanDerWaalsContact C-N 3.27Å; N55-D57 PolarHBondContact O-N 3.3Å; N55-K58 PolarHBondContact O-N 3.05Å; N55-K58 WeakPolarHBondContact OD1-CB 3.49Å; N55-K58 WeakPolarHBondContact OD1-CD 3.41Å; N55-K58 VanDerWaalsContact OD1-CG 3.26Å; N55-K58 WeakPolarHBondContact OD1-CG 3.23Å; N55-K58 PolarHBondContact OD1-N 3.1Å; N55-K58 VanDerWaalsContact OD1-N 3.07Å; N55-L59 PolarHBondContact O-N 2.74Å
56Y98.5Very high97.3Very high36 Ų3672.2 Ų72.214%0.14134%0.344CS..Hα-helixtrans-63.1-31.2-177.4173.8-107.2000112.9L35 A38 E39 L59 S60 F80 Y82L35-Y56 HydrophobicContact CD1-CD2 4.28Å; L35-Y56 HydrophobicContact CD1-CE2 3.72Å; A38-Y56 HydrophobicContact CB-CD1 4.42Å; A38-Y56 HydrophobicContact CB-CD2 3.59Å; A38-Y56 HydrophobicContact CB-CE2 4Å; A38-Y56 HydrophobicContact CB-CG 3.8Å; E39-Y56 VanDerWaalsContact OE1-CB 3.31Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.34Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.4Å; E39-Y56 PolarHBondContact OE2-N 3.15Å; Y56-L59 HydrophobicContact CD2-CD2 4.48Å; Y56-L59 PolarHBondContact O-N 3.46Å; Y56-S60 WeakPolarHBondContact O-CA 3.38Å; Y56-S60 WeakPolarHBondContact O-CB 3.5Å; Y56-S60 PolarHBondContact O-N 2.99Å; Y56-S60 PolarHBondContact O-OG 3.28Å; Y56-F80 HydrophobicContact CD1-CD1 4.47Å; Y56-F80 AromaticContact CD1-CE1 3.93Å; Y56-F80 HydrophobicContact CD1-CE1 3.93Å; Y56-F80 AromaticContact CE1-CD1 3.82Å; Y56-F80 HydrophobicContact CE1-CD1 3.82Å; Y56-F80 AromaticContact CE1-CE1 3.51Å; Y56-F80 HydrophobicContact CE1-CE1 3.51Å; Y56-F80 HydrophobicContact CE2-CD1 4.1Å; Y56-F80 HydrophobicContact CE2-CE1 4.49Å; Y56-F80 AromaticContact CZ-CD1 3.57Å; Y56-F80 AromaticContact CZ-CE1 3.81Å; Y56-Y82 PolarHBondContact OH-OH 3.31Å
57D98.3Very high97.3Very high97 Ų9775.5 Ų75.552%0.51936%0.357SS..Hα-helixtrans-60-51.5175.3-177.5-108.5000111.3N55 L59 S60 R61N55-D57 VanDerWaalsContact C-N 3.27Å; N55-D57 PolarHBondContact O-N 3.3Å; D57-L59 PolarHBondContact O-N 3.44Å; D57-S60 PolarHBondContact O-N 3.07Å; D57-S60 PolarHBondContact O-OG 3.32Å; D57-R61 PolarHBondContact O-N 3.22Å
58K98.1Very high97.2Very high108 Ų10876.6 Ų76.647%0.4737%0.369SS..Hα-helixtrans-62.8-42.7177.1-68.5162.7-174.5159.80112.3N53 M54 N55 R61 A62N53-K58 WeakPolarHBondContact O-CD 3.44Å; N53-K58 PolarHBondContact O-NZ 3.28Å; M54-K58 HydrophobicContact SD-CB 3.74Å; N55-K58 PolarHBondContact O-N 3.05Å; N55-K58 WeakPolarHBondContact OD1-CB 3.49Å; N55-K58 WeakPolarHBondContact OD1-CD 3.41Å; N55-K58 VanDerWaalsContact OD1-CG 3.26Å; N55-K58 WeakPolarHBondContact OD1-CG 3.23Å; N55-K58 PolarHBondContact OD1-N 3.1Å; N55-K58 VanDerWaalsContact OD1-N 3.07Å; K58-R61 PolarHBondContact O-N 3.11Å; K58-A62 PolarHBondContact O-N 3.37Å
59L98.6Very high97.1Very high1 Ų177.8 Ų77.81%0.00538%0.376CS..Hα-helixtrans-63.6-44.6175.9-175153.6000111.3L7 V41 A42 W45 N55 Y56 D57 R61 A62 L63L7-L59 HydrophobicContact CD1-CD1 3.86Å; L7-L59 HydrophobicContact CD1-CD2 4.39Å; L7-L59 HydrophobicContact CD1-CG 3.88Å; L7-L59 HydrophobicContact CD2-CD2 4.22Å; L7-L59 HydrophobicContact CD2-CG 3.96Å; V41-L59 HydrophobicContact CG1-CD1 4.27Å; A42-L59 HydrophobicContact CB-CB 4.16Å; A42-L59 HydrophobicContact CB-CD1 3.92Å; W45-L59 HydrophobicContact CB-CD1 3.91Å; W45-L59 HydrophobicContact CG-CD1 4.15Å; N55-L59 PolarHBondContact O-N 2.74Å; Y56-L59 HydrophobicContact CD2-CD2 4.48Å; Y56-L59 PolarHBondContact O-N 3.46Å; D57-L59 PolarHBondContact O-N 3.44Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.38Å; L59-A62 WeakPolarHBondContact O-CA 3.33Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 2.92Å; L59-A62 VanDerWaalsContact O-N 3.1Å; L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.04Å; L59-L63 PolarHBondContact O-N 2.77Å
60S98.3Very high97.1Very high2 Ų276.5 Ų76.51%0.01437%0.373CS..Hα-helixtrans-68.5-26178.1740000112Y56 D57 A62 L63 R64Y56-S60 WeakPolarHBondContact O-CA 3.38Å; Y56-S60 WeakPolarHBondContact O-CB 3.5Å; Y56-S60 PolarHBondContact O-N 2.99Å; Y56-S60 PolarHBondContact O-OG 3.28Å; D57-S60 PolarHBondContact O-N 3.07Å; D57-S60 PolarHBondContact O-OG 3.32Å; S60-A62 VanDerWaalsContact C-N 3.3Å; S60-L63 PolarHBondContact O-N 2.78Å; S60-R64 WeakPolarHBondContact O-CG 3.48Å; S60-R64 PolarHBondContact O-N 3.27Å; S60-R64 PolarHBondContact O-NH1 2.68Å; S60-R64 PolarHBondContact OG-NH1 3.26Å
61R98.3Very high97.1Very high110 Ų11070.6 Ų70.642%0.41534%0.341SS..Hα-helixtrans-66.3-34.8171-17365-167.386.2-10.3111.6D57 K58 L59 Y65D57-R61 PolarHBondContact O-N 3.22Å; K58-R61 PolarHBondContact O-N 3.11Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.38Å; R61-Y65 HydrophobicContact CG-CE2 4.35Å; R61-Y65 VanDerWaalsContact NH2-CE1 3.26Å; R61-Y65 PolarHBondContact NH2-OH 2.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.3Å; R61-Y65 PolarHBondContact O-N 3.16Å
62A97.3Very high97.2Very high30 Ų3064.6 Ų64.625%0.24832%0.315CS..Hα-helixtrans-70.1-41.7170.700000112.3L7 K58 L59 S60 R64 Y65 Y66L7-A62 HydrophobicContact CD2-CB 3.62Å; K58-A62 PolarHBondContact O-N 3.37Å; L59-A62 WeakPolarHBondContact O-CA 3.33Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 2.92Å; L59-A62 VanDerWaalsContact O-N 3.1Å; S60-A62 VanDerWaalsContact C-N 3.3Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.74Å; A62-Y65 WeakPolarHBondContact O-CB 3.41Å; A62-Y65 PolarHBondContact O-N 2.76Å; A62-Y66 PolarHBondContact O-N 2.85Å
63L98.3Very high97.3Very high0 Ų063.6 Ų63.60%030%0.299CS..Hα-helixtrans-57.1-39.8171.9-69.7178.5000112.5L7 L11 L35 L59 S60 Y65 Y66 Y67 I72 Y82L7-L63 HydrophobicContact CD2-CD2 4.13Å; L7-L63 HydrophobicContact CD2-CG 4.23Å; L11-L63 HydrophobicContact CD1-CD2 3.71Å; L35-L63 HydrophobicContact CD1-CD1 4.33Å; L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.04Å; L59-L63 PolarHBondContact O-N 2.77Å; S60-L63 PolarHBondContact O-N 2.78Å; L63-Y65 VanDerWaalsContact C-N 3.29Å; L63-Y65 PolarHBondContact O-N 2.85Å; L63-Y66 HydrophobicContact CD2-CD2 4.12Å; L63-Y66 WeakPolarHBondContact O-CB 3.41Å; L63-Y66 PolarHBondContact O-N 3.47Å; L63-Y67 WeakPolarHBondContact O-CD1 3.47Å; L63-Y67 WeakPolarHBondContact O-CE1 3.45Å; L63-I72 HydrophobicContact CD2-CD1 3.89Å; L63-Y82 HydrophobicContact CB-CE1 4.22Å; L63-Y82 HydrophobicContact CD1-CD1 4.28Å; L63-Y82 HydrophobicContact CD1-CD2 4.09Å; L63-Y82 HydrophobicContact CD1-CE1 3.96Å; L63-Y82 HydrophobicContact CD1-CE2 3.77Å; L63-Y82 HydrophobicContact CD1-CG 4.35Å
64R98.3Very high97.3Very high105 Ų10560.3 Ų60.340%0.39628%0.278SS..Hα-helixtrans-61.9-31.6175.4-71.1175.2-168.192.3-19.1113.3S60 A62 Y66 Y67S60-R64 WeakPolarHBondContact O-CG 3.48Å; S60-R64 PolarHBondContact O-N 3.27Å; S60-R64 PolarHBondContact O-NH1 2.68Å; S60-R64 PolarHBondContact OG-NH1 3.26Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.74Å; R64-Y66 VanDerWaalsContact C-N 3.27Å; R64-Y66 PolarHBondContact O-N 2.97Å; R64-Y67 HydrophobicContact CB-CE2 4.24Å; R64-Y67 HydrophobicContact CG-CE2 3.92Å; R64-Y67 PolarHBondContact O-N 3.01Å
65Y97.7Very high97.3Very high143 Ų14359.6 Ų59.656%0.56128%0.276SS*.Hα-helixtrans-69.9-23.9173.7-68.7-56.7000112.7R61 A62 L63 Y67R61-Y65 HydrophobicContact CG-CE2 4.35Å; R61-Y65 VanDerWaalsContact NH2-CE1 3.26Å; R61-Y65 PolarHBondContact NH2-OH 2.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.3Å; R61-Y65 PolarHBondContact O-N 3.16Å; A62-Y65 WeakPolarHBondContact O-CB 3.41Å; A62-Y65 PolarHBondContact O-N 2.76Å; L63-Y65 VanDerWaalsContact C-N 3.29Å; L63-Y65 PolarHBondContact O-N 2.85Å; Y65-Y67 VanDerWaalsContact C-N 3.27Å; Y65-Y67 PolarHBondContact O-N 3.07Å
66Y97.4Very high97.2Very high31 Ų3163.6 Ų63.612%0.12230%0.298CS..Hα-helixtrans-75.6-11.8177.2-67-31.7000114.6L7 W8 A62 L63 R64 N70 I71 I72L7-Y66 HydrophobicContact CB-CE2 4Å; L7-Y66 HydrophobicContact CD2-CE2 4.23Å; L7-Y66 HydrophobicContact CG-CE2 4.24Å; L7-Y66 PolarHBondContact N-OH 3.09Å; W8-Y66 HydrophobicContact CB-CD2 4.42Å; W8-Y66 HydrophobicContact CB-CE2 3.82Å; W8-Y66 AromaticContact CD1-CZ 3.86Å; W8-Y66 PolarHBondContact N-OH 3.49Å; A62-Y66 PolarHBondContact O-N 2.85Å; L63-Y66 HydrophobicContact CD2-CD2 4.12Å; L63-Y66 WeakPolarHBondContact O-CB 3.41Å; L63-Y66 PolarHBondContact O-N 3.47Å; R64-Y66 VanDerWaalsContact C-N 3.27Å; R64-Y66 PolarHBondContact O-N 2.97Å; Y66-N70 PolarHBondContact O-N 3.37Å; Y66-I71 HydrophobicContact CD1-CB 4.38Å; Y66-I71 HydrophobicContact CD1-CD1 3.76Å; Y66-I71 HydrophobicContact CD1-CG1 4.47Å; Y66-I71 HydrophobicContact CE1-CD1 4.02Å; Y66-I71 HydrophobicContact CG-CB 4.31Å; Y66-I71 PolarHBondContact O-N 3.4Å; Y66-I72 CarbonylContact C-O 3.58Å; Y66-I72 HydrophobicContact CD2-CD1 4.06Å; Y66-I72 PolarHBondContact O-N 3.08Å
67Y96.8Very high97.1Very high71 Ų7166 Ų6628%0.27833%0.334SS..Hα-helixtrans-66-50.9178.5-58.9-1.7000110.7L63 R64 Y65 N70 I72 K74 Y82L63-Y67 WeakPolarHBondContact O-CD1 3.47Å; L63-Y67 WeakPolarHBondContact O-CE1 3.45Å; R64-Y67 HydrophobicContact CB-CE2 4.24Å; R64-Y67 HydrophobicContact CG-CE2 3.92Å; R64-Y67 PolarHBondContact O-N 3.01Å; Y65-Y67 VanDerWaalsContact C-N 3.27Å; Y65-Y67 PolarHBondContact O-N 3.07Å; Y67-N70 PolarHBondContact O-N 3.32Å; Y67-I72 WeakPolarHBondContact CA-O 3.45Å; Y67-I72 WeakPolarHBondContact CD1-O 3.33Å; Y67-I72 PolarHBondContact N-O 3.42Å; Y67-K74 HydrophobicContact CE1-CB 4.14Å; Y67-K74 HydrophobicContact CE2-CB 4.16Å; Y67-Y82 HydrophobicContact CE1-CE1 4.23Å
68V94.9Very high97Very high132 Ų13265.5 Ų65.580%0.833%0.328SS*.Hα-helixtrans-69-35178.5-177.60000111.1N70V68-N70 PolarHBondContact O-N 3.43Å
69K93.5Very high97Very high92 Ų9268.2 Ų68.240%0.434%0.34SS..THydrogen-bonded Turntrans-72.21.9174.6-68.3-153.474.8-158.50114.5I71 V98 G99K69-I71 HydrophobicContact CB-CD1 3.9Å; K69-I71 HydrophobicContact CB-CG1 3.82Å; K69-I71 HydrophobicContact CD-CD1 4.06Å; K69-I71 WeakPolarHBondContact O-CG1 3.45Å; K69-I71 PolarHBondContact O-N 3.21Å; K69-I71 VanDerWaalsContact O-N 3.09Å; K69-V98 PolarHBondContact NZ-O 3.08Å; K69-V98 VanDerWaalsContact NZ-O 3.08Å; K69-G99 WeakPolarHBondContact CE-O 3.46Å; K69-G99 PolarHBondContact NZ-O 3.24Å; K69-G99 WeakPolarHBondContact O-CA 3.36Å
70N94.9Very high97Very high54 Ų5471.6 Ų71.629%0.28936%0.355SS..THydrogen-bonded Turntrans51.630.1-175.2-76.7-51.6000114.8Y66 Y67 V68 K73 V85Y66-N70 PolarHBondContact O-N 3.37Å; Y67-N70 PolarHBondContact O-N 3.32Å; V68-N70 PolarHBondContact O-N 3.43Å; N70-K73 WeakPolarHBondContact OD1-CE 3.26Å; N70-K73 PolarHBondContact OD1-NZ 3.05Å; N70-V85 WeakPolarHBondContact O-CB 3.47Å; N70-V85 VanDerWaalsContact O-CG2 3.23Å; N70-V85 WeakPolarHBondContact O-CG2 3.47Å
71I95.6Very high97Very high4 Ų471.5 Ų71.52%0.02135%0.354CS..SBendtrans-93.9-48.9179.9-51177.1000110.7W8 Y66 K69 V85 I90 V98W8-I71 HydrophobicContact CB-CG2 3.99Å; W8-I71 HydrophobicContact CD2-CG2 4.25Å; W8-I71 HydrophobicContact CG-CG2 3.81Å; Y66-I71 HydrophobicContact CD1-CB 4.38Å; Y66-I71 HydrophobicContact CD1-CD1 3.76Å; Y66-I71 HydrophobicContact CD1-CG1 4.47Å; Y66-I71 HydrophobicContact CE1-CD1 4.02Å; Y66-I71 HydrophobicContact CG-CB 4.31Å; Y66-I71 PolarHBondContact O-N 3.4Å; K69-I71 HydrophobicContact CB-CD1 3.9Å; K69-I71 HydrophobicContact CB-CG1 3.82Å; K69-I71 HydrophobicContact CD-CD1 4.06Å; K69-I71 WeakPolarHBondContact O-CG1 3.45Å; K69-I71 PolarHBondContact O-N 3.21Å; K69-I71 VanDerWaalsContact O-N 3.09Å; I71-V85 PolarHBondContact O-N 2.74Å; I71-V85 VanDerWaalsContact O-N 3.13Å; I71-I90 HydrophobicContact CG2-CD1 3.74Å; I71-V98 HydrophobicContact CB-CG1 4.39Å; I71-V98 HydrophobicContact CD1-CG1 3.87Å; I71-V98 HydrophobicContact CG1-CG1 3.83Å; I71-V98 HydrophobicContact CG2-CG1 3.75Å
72I97.5Very high97Very high0 Ų066.7 Ų66.70%034%0.336CS..EExtended strand (participates in β ladder)trans-135.5133.8177.9-65175.7000107.5W8 L11 F33 L63 Y66 Y67 Y82 K83 F84W8-I72 HydrophobicContact CB-CD1 4.1Å; L11-I72 HydrophobicContact CD1-CD1 4.49Å; F33-I72 HydrophobicContact CE1-CD1 4.31Å; F33-I72 HydrophobicContact CE1-CG2 4.35Å; F33-I72 HydrophobicContact CZ-CD1 4.18Å; F33-I72 HydrophobicContact CZ-CG2 4.45Å; L63-I72 HydrophobicContact CD2-CD1 3.89Å; Y66-I72 CarbonylContact C-O 3.58Å; Y66-I72 HydrophobicContact CD2-CD1 4.06Å; Y66-I72 PolarHBondContact O-N 3.08Å; Y67-I72 WeakPolarHBondContact CA-O 3.45Å; Y67-I72 WeakPolarHBondContact CD1-O 3.33Å; Y67-I72 PolarHBondContact N-O 3.42Å; I72-Y82 HydrophobicContact CG2-CD1 4.11Å; I72-Y82 HydrophobicContact CG2-CG 4.4Å; I72-K83 CarbonylContact C-O 3.33Å; I72-K83 VanDerWaalsContact CA-O 3.32Å; I72-K83 WeakPolarHBondContact CA-O 3.15Å; I72-F84 HydrophobicContact CD1-CD1 4.16Å; I72-F84 HydrophobicContact CD1-CE1 3.73Å; I72-F84 HydrophobicContact CD1-CZ 4.04Å; I72-F84 HydrophobicContact CG1-CD1 3.69Å; I72-F84 HydrophobicContact CG1-CE1 3.8Å; I72-F84 HydrophobicContact CG1-CG 4.3Å; I72-F84 HydrophobicContact CG1-CZ 4.45Å
73K97.3Very high97Very high91 Ų9168.4 Ų68.440%0.39634%0.338SS..EExtended strand (participates in β ladder)trans-111157.3172.9-75.3172-175.9169.90110.7N70 K83 V85N70-K73 WeakPolarHBondContact OD1-CE 3.26Å; N70-K73 PolarHBondContact OD1-NZ 3.05Å; K73-K83 PolarHBondContact N-O 3.04Å; K73-K83 PolarHBondContact O-N 2.91Å; K73-V85 HydrophobicContact CB-CG2 4.27Å; K73-V85 HydrophobicContact CD-CG1 4.44Å; K73-V85 HydrophobicContact CD-CG2 3.68Å; K73-V85 HydrophobicContact CG-CG2 3.64Å
74K97.8Very high97Very high62 Ų6268.4 Ų68.427%0.2734%0.338SS..EExtended strand (participates in β ladder)trans-83.6134.2177.7178.560.3-166.5148.30110.2Y67 Q78 V81 Y82Y67-K74 HydrophobicContact CE1-CB 4.14Å; Y67-K74 HydrophobicContact CE2-CB 4.16Å; K74-Q78 PolarHBondContact NZ-O 3.44Å; K74-V81 PolarHBondContact NZ-O 3.24Å; K74-Y82 HydrophobicContact CD-CD1 4.06Å; K74-Y82 HydrophobicContact CD-CE1 3.65Å
75V97.6Very high96.8Very high26 Ų2665.6 Ų65.616%0.15833%0.333CS..PPolyproline II helixtrans-84.4117.7165.7-1800000108.5Q32 Q78 V81 K83Q32-V75 HydrophobicContact CG-CG2 4.03Å; V75-Q78 HydrophobicContact CG1-CB 4.1Å; V75-Q78 HydrophobicContact CG1-CG 4.01Å; V75-V81 HydrophobicContact CB-CB 4.15Å; V75-V81 HydrophobicContact CB-CG1 3.83Å; V75-V81 HydrophobicContact CG1-CG1 4.2Å; V75-V81 HydrophobicContact CG2-CG1 3.8Å; V75-V81 PolarHBondContact N-O 3.45Å; V75-K83 HydrophobicContact CG2-CB 4.16Å
76N96.7Very high96.4Very high140 Ų14061.6 Ų61.675%0.74933%0.325SS*.SBendtrans-70.7155.7-179.4-71.1-14.3000111.5Q78N76-Q78 PolarHBondContact O-N 2.87Å
77G96.1Very high96.1Very high88 Ų8863 Ų6391%0.90733%0.331SS*.SBendtrans70.2-29.6-174.100000115.3
78Q96.9Very high95.6Very high85 Ų8563 Ų6340%0.39734%0.34SS..  trans-97.3115.5-171.9-60.3-162.939.400113.1K74 V75 N76 F80 V81K74-Q78 PolarHBondContact NZ-O 3.44Å; V75-Q78 HydrophobicContact CG1-CB 4.1Å; V75-Q78 HydrophobicContact CG1-CG 4.01Å; N76-Q78 PolarHBondContact O-N 2.87Å; Q78-F80 PolarHBondContact O-N 3.41Å; Q78-V81 HydrophobicContact CB-CB 3.74Å; Q78-V81 HydrophobicContact CB-CG2 3.73Å
79K97.3Very high95.2Very high165 Ų16561.6 Ų61.672%0.71732%0.324SS*.THydrogen-bonded Turntrans-62.7134.5174.4-65.2-178.371.8173.70110.4V81K79-V81 PolarHBondContact O-N 3.49Å; K79-V81 VanDerWaalsContact O-N 3.08Å
80F98.2Very high94.9Very high73 Ų7357.6 Ų57.632%0.3231%0.307SS..THydrogen-bonded Turntrans61.46.5178.1-49.5-72.4000117.8L35 A38 Y56 Q78 Y82L35-F80 HydrophobicContact CB-CB 4.17Å; L35-F80 PolarHBondContact N-O 3.44Å; L35-F80 WeakPolarHBondContact O-CB 3.44Å; A38-F80 HydrophobicContact CB-CD1 3.63Å; A38-F80 HydrophobicContact CB-CE1 3.77Å; A38-F80 HydrophobicContact CB-CG 4.41Å; Y56-F80 HydrophobicContact CD1-CD1 4.47Å; Y56-F80 AromaticContact CD1-CE1 3.93Å; Y56-F80 HydrophobicContact CD1-CE1 3.93Å; Y56-F80 AromaticContact CE1-CD1 3.82Å; Y56-F80 HydrophobicContact CE1-CD1 3.82Å; Y56-F80 AromaticContact CE1-CE1 3.51Å; Y56-F80 HydrophobicContact CE1-CE1 3.51Å; Y56-F80 HydrophobicContact CE2-CD1 4.1Å; Y56-F80 HydrophobicContact CE2-CE1 4.49Å; Y56-F80 AromaticContact CZ-CD1 3.57Å; Y56-F80 AromaticContact CZ-CE1 3.81Å; Q78-F80 PolarHBondContact O-N 3.41Å; F80-Y82 WeakPolarHBondContact O-CD2 3.49Å
81V98.3Very high94.4Very high0 Ų058.6 Ų58.60%031%0.312CS..EExtended strand (participates in β ladder)trans-94.5137.8176.7-174.30000112.1Q32 F33 K34 K74 V75 Q78 K79Q32-V81 HydrophobicContact CG-CG1 3.68Å; F33-V81 WeakPolarHBondContact O-CA 3.35Å; F33-V81 WeakPolarHBondContact O-CG1 3.49Å; K34-V81 HydrophobicContact CB-CG2 3.93Å; K34-V81 HydrophobicContact CD-CG2 3.73Å; K34-V81 HydrophobicContact CG-CG2 3.68Å; K74-V81 PolarHBondContact NZ-O 3.24Å; V75-V81 HydrophobicContact CB-CB 4.15Å; V75-V81 HydrophobicContact CB-CG1 3.83Å; V75-V81 HydrophobicContact CG1-CG1 4.2Å; V75-V81 HydrophobicContact CG2-CG1 3.8Å; V75-V81 PolarHBondContact N-O 3.45Å; Q78-V81 HydrophobicContact CB-CB 3.74Å; Q78-V81 HydrophobicContact CB-CG2 3.73Å; K79-V81 PolarHBondContact O-N 3.49Å; K79-V81 VanDerWaalsContact O-N 3.08Å
82Y98.4Very high93.7Very high8 Ų865.7 Ų65.73%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-140.5164.1-176.9-68.6-85.4000109.6Q32 F33 L35 Y56 L63 Y67 I72 K74 F80Q32-Y82 CarbonylContact C-O 3.51Å; Q32-Y82 WeakPolarHBondContact CA-O 3.18Å; F33-Y82 HydrophobicContact CZ-CG 4.36Å; F33-Y82 PolarHBondContact N-O 2.96Å; F33-Y82 PolarHBondContact O-N 3.25Å; L35-Y82 HydrophobicContact CD1-CD2 4.32Å; L35-Y82 HydrophobicContact CD1-CE2 4.14Å; Y56-Y82 PolarHBondContact OH-OH 3.31Å; L63-Y82 HydrophobicContact CB-CE1 4.22Å; L63-Y82 HydrophobicContact CD1-CD1 4.28Å; L63-Y82 HydrophobicContact CD1-CD2 4.09Å; L63-Y82 HydrophobicContact CD1-CE1 3.96Å; L63-Y82 HydrophobicContact CD1-CE2 3.77Å; L63-Y82 HydrophobicContact CD1-CG 4.35Å; Y67-Y82 HydrophobicContact CE1-CE1 4.23Å; I72-Y82 HydrophobicContact CG2-CD1 4.11Å; I72-Y82 HydrophobicContact CG2-CG 4.4Å; K74-Y82 HydrophobicContact CD-CD1 4.06Å; K74-Y82 HydrophobicContact CD-CE1 3.65Å; F80-Y82 WeakPolarHBondContact O-CD2 3.49Å
83K97.7Very high92.7Very high66 Ų6669.1 Ų69.129%0.28737%0.367SS..EExtended strand (participates in β ladder)trans-137.8131.4176.8167.1165.1175.7164.10110.9D30 G31 Q32 I72 K73 V75D30-K83 WeakPolarHBondContact O-CE 3.34Å; D30-K83 PolarHBondContact O-NZ 3.32Å; D30-K83 WeakPolarHBondContact OD2-CD 3.38Å; D30-K83 WeakPolarHBondContact OD2-CE 3.35Å; D30-K83 IonicContact OD2-NZ 2.7Å; D30-K83 PolarHBondContact OD2-NZ 2.89Å; G31-K83 WeakPolarHBondContact O-CA 2.95Å; Q32-K83 HydrophobicContact CB-CB 4.36Å; Q32-K83 HydrophobicContact CG-CB 4.5Å; I72-K83 CarbonylContact C-O 3.33Å; I72-K83 VanDerWaalsContact CA-O 3.32Å; I72-K83 WeakPolarHBondContact CA-O 3.15Å; K73-K83 PolarHBondContact N-O 3.04Å; K73-K83 PolarHBondContact O-N 2.91Å; V75-K83 HydrophobicContact CG2-CB 4.16Å
84F97.1Very high91.7Very high0 Ų069 Ų690%037%0.37CS..EExtended strand (participates in β ladder)trans-66.3137.1164.9-74.1-84000109.6W8 L12 L15 W26 G31 F33 I72 I90W8-F84 HydrophobicContact CB-CE1 4.18Å; W8-F84 HydrophobicContact CE3-CE1 4.43Å; L12-F84 HydrophobicContact CB-CZ 4.19Å; L12-F84 HydrophobicContact CD1-CE2 4.34Å; L12-F84 HydrophobicContact CD1-CZ 4.31Å; L15-F84 HydrophobicContact CD1-CE2 4.11Å; W26-F84 AromaticContact CH2-CD2 3.86Å; W26-F84 HydrophobicContact CH2-CD2 3.86Å; W26-F84 AromaticContact CH2-CE2 3.91Å; W26-F84 HydrophobicContact CH2-CE2 3.91Å; W26-F84 AromaticContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CE2 4.2Å; G31-F84 PolarHBondContact O-N 3.43Å; F33-F84 AromaticContact CD1-CD2 3.68Å; F33-F84 HydrophobicContact CD1-CD2 3.68Å; F33-F84 AromaticContact CD1-CE2 3.63Å; F33-F84 HydrophobicContact CD1-CE2 3.63Å; F33-F84 AromaticContact CE1-CD2 3.63Å; F33-F84 HydrophobicContact CE1-CD2 3.63Å; F33-F84 AromaticContact CE1-CE2 3.44Å; F33-F84 HydrophobicContact CE1-CE2 3.44Å; F33-F84 VanDerWaalsContact CE1-CE2 3.44Å; F33-F84 HydrophobicContact CE1-CG 4.48Å; F33-F84 HydrophobicContact CE1-CZ 4.17Å; F33-F84 HydrophobicContact CZ-CE2 4.27Å; I72-F84 HydrophobicContact CD1-CD1 4.16Å; I72-F84 HydrophobicContact CD1-CE1 3.73Å; I72-F84 HydrophobicContact CD1-CZ 4.04Å; I72-F84 HydrophobicContact CG1-CD1 3.69Å; I72-F84 HydrophobicContact CG1-CE1 3.8Å; I72-F84 HydrophobicContact CG1-CG 4.3Å; I72-F84 HydrophobicContact CG1-CZ 4.45Å; F84-I90 HydrophobicContact CD1-CD1 3.78Å; F84-I90 HydrophobicContact CD1-CG2 4.3Å; F84-I90 HydrophobicContact CE1-CD1 4.14Å
85V94.4Very high90.6Very high47 Ų4768.8 Ų68.829%0.28538%0.376SS..SBendtrans-75.5-45.6-170.9-176.50000112N70 I71 K73N70-V85 WeakPolarHBondContact O-CB 3.47Å; N70-V85 VanDerWaalsContact O-CG2 3.23Å; N70-V85 WeakPolarHBondContact O-CG2 3.47Å; I71-V85 PolarHBondContact O-N 2.74Å; I71-V85 VanDerWaalsContact O-N 3.13Å; K73-V85 HydrophobicContact CB-CG2 4.27Å; K73-V85 HydrophobicContact CD-CG1 4.44Å; K73-V85 HydrophobicContact CD-CG2 3.68Å; K73-V85 HydrophobicContact CG-CG2 3.64Å
86S89.8Confident89.3Confident58 Ų5874.5 Ų74.541%0.40640%0.403SS..SBendtrans-115.694.6176.7-46.40000108.6E89 I90S86-E89 WeakPolarHBondContact CA-OE2 3.11Å; S86-I90 WeakPolarHBondContact O-CB 3.44Å; S86-I90 WeakPolarHBondContact O-CG2 3.29Å; S86-I90 PolarHBondContact O-N 3.3Å; S86-I90 VanDerWaalsContact O-N 3.07Å
87Y90.8Very high88.2Confident61 Ų6171.1 Ų71.124%0.23939%0.387CS..THydrogen-bonded Turntrans-131.8128177.5-179.8-85.3000108.5L12 W26 N29 E89 I90 L91L12-Y87 HydrophobicContact CD1-CE2 4.45Å; W26-Y87 AromaticContact CH2-CD2 3.97Å; W26-Y87 HydrophobicContact CH2-CD2 3.97Å; W26-Y87 AromaticContact CH2-CE2 3.51Å; W26-Y87 HydrophobicContact CH2-CE2 3.51Å; W26-Y87 AromaticContact CZ2-CE2 3.8Å; W26-Y87 HydrophobicContact CZ2-CE2 3.8Å; W26-Y87 HydrophobicContact CZ3-CD2 4.47Å; W26-Y87 HydrophobicContact CZ3-CE2 4.24Å; N29-Y87 WeakPolarHBondContact O-CE1 3.44Å; Y87-E89 VanDerWaalsContact C-OE2 3.28Å; Y87-E89 PolarHBondContact N-OE2 3.01Å; Y87-I90 HydrophobicContact CD2-CG2 4.29Å; Y87-L91 HydrophobicContact CE2-CD1 4.42Å; Y87-L91 HydrophobicContact CE2-CD2 4.08Å; Y87-L91 HydrophobicContact CE2-CG 4.29Å
88P87Confident87.1Confident71 Ų7167.2 Ų67.246%0.46135%0.345SS..THydrogen-bonded Turncis-86.33.716.134.4-38.2000116.9I90 L91P88-I90 VanDerWaalsContact C-N 3.29Å; P88-I90 PolarHBondContact O-N 2.98Å; P88-I90 VanDerWaalsContact O-N 3.17Å; P88-L91 HydrophobicContact CB-CD1 3.99Å; P88-L91 HydrophobicContact CB-CG 4.41Å; P88-L91 VanDerWaalsContact O-CB 3.23Å; P88-L91 WeakPolarHBondContact O-CB 3.16Å; P88-L91 WeakPolarHBondContact O-CG 3.3Å; P88-L91 PolarHBondContact O-N 2.84Å
89E87.1Confident85.5Confident102 Ų10264.1 Ų64.148%0.47734%0.337SS..G310 helixtrans-58.6-38.5-168.3-59.765.6-13300113S86 Y87 L91 N92 M93S86-E89 WeakPolarHBondContact CA-OE2 3.11Å; Y87-E89 VanDerWaalsContact C-OE2 3.28Å; Y87-E89 PolarHBondContact N-OE2 3.01Å; E89-L91 PolarHBondContact O-N 3.18Å; E89-N92 PolarHBondContact O-N 2.92Å; E89-M93 PolarHBondContact O-N 3.02Å
90I85.4Confident83.9Confident8 Ų864.5 Ų64.54%0.04133%0.334CS..G310 helixtrans-60.6-15.9178-161.6174.7000114.1W8 I71 F84 S86 Y87 P88 N92 V98W8-I90 HydrophobicContact CD2-CD1 4.11Å; W8-I90 HydrophobicContact CE3-CD1 3.64Å; W8-I90 HydrophobicContact CE3-CG1 3.99Å; W8-I90 HydrophobicContact CH2-CD1 4.36Å; W8-I90 HydrophobicContact CH2-CG1 3.95Å; W8-I90 HydrophobicContact CZ3-CD1 3.79Å; W8-I90 HydrophobicContact CZ3-CG1 3.58Å; I71-I90 HydrophobicContact CG2-CD1 3.74Å; F84-I90 HydrophobicContact CD1-CD1 3.78Å; F84-I90 HydrophobicContact CD1-CG2 4.3Å; F84-I90 HydrophobicContact CE1-CD1 4.14Å; S86-I90 WeakPolarHBondContact O-CB 3.44Å; S86-I90 WeakPolarHBondContact O-CG2 3.29Å; S86-I90 PolarHBondContact O-N 3.3Å; S86-I90 VanDerWaalsContact O-N 3.07Å; Y87-I90 HydrophobicContact CD2-CG2 4.29Å; P88-I90 VanDerWaalsContact C-N 3.29Å; P88-I90 PolarHBondContact O-N 2.98Å; P88-I90 VanDerWaalsContact O-N 3.17Å; I90-N92 PolarHBondContact O-N 3.37Å; I90-V98 HydrophobicContact CD1-CG1 3.92Å; I90-V98 HydrophobicContact CG1-CG1 4.19Å; I90-V98 HydrophobicContact CG1-CG2 4.24Å
91L84.9Confident81.6Confident76 Ų7667.7 Ų67.740%0.39835%0.352SS..G310 helixtrans-63.7-32.1172.4-61.5-176.2000112.2L12 Y87 P88 E89L12-L91 HydrophobicContact CD1-CD2 3.75Å; L12-L91 HydrophobicContact CD2-CD2 3.8Å; L12-L91 HydrophobicContact CG-CD2 4.1Å; Y87-L91 HydrophobicContact CE2-CD1 4.42Å; Y87-L91 HydrophobicContact CE2-CD2 4.08Å; Y87-L91 HydrophobicContact CE2-CG 4.29Å; P88-L91 HydrophobicContact CB-CD1 3.99Å; P88-L91 HydrophobicContact CB-CG 4.41Å; P88-L91 VanDerWaalsContact O-CB 3.23Å; P88-L91 WeakPolarHBondContact O-CB 3.16Å; P88-L91 WeakPolarHBondContact O-CG 3.3Å; P88-L91 PolarHBondContact O-N 2.84Å; E89-L91 PolarHBondContact O-N 3.18Å
92N82.2Confident79.3Confident152 Ų15275.8 Ų75.881%0.81339%0.391SS*.THydrogen-bonded Turntrans-107.8-4.8-170.9-62.7-9.4000113.1E89 I90E89-N92 PolarHBondContact O-N 2.92Å; I90-N92 PolarHBondContact O-N 3.37Å
93M75.6Confident76.7Confident73 Ų7379.2 Ų79.236%0.3643%0.428SS..SBendtrans-80.4139.2-178.1-71-174.773.300112.9E89 T97 V98E89-M93 PolarHBondContact O-N 3.02Å; M93-T97 HydrophobicContact CE-CG2 3.94Å; M93-V98 HydrophobicContact CB-CG2 3.49Å; M93-V98 VanDerWaalsContact CB-CG2 3.49Å; M93-V98 HydrophobicContact CE-CG2 3.98Å; M93-V98 HydrophobicContact CG-CG2 4.36Å; M93-V98 HydrophobicContact SD-CG2 4.02Å
94D75.9Confident73.9Confident87 Ų8784 Ų8447%0.46546%0.457SS..  trans-62.4132166.4165.277.1000111.5M96 T97 V98D94-M96 PolarHBondContact O-N 3.03Å; D94-M96 VanDerWaalsContact O-N 3.16Å; D94-M96 VanDerWaalsContact OD2-CA 3.28Å; D94-M96 WeakPolarHBondContact OD2-CA 3.45Å; D94-M96 WeakPolarHBondContact OD2-CB 3.46Å; D94-M96 PolarHBondContact OD2-N 3.26Å; D94-T97 WeakPolarHBondContact O-CB 3.38Å; D94-T97 PolarHBondContact O-N 3.33Å; D94-T97 PolarHBondContact OD2-N 2.95Å; D94-T97 PolarHBondContact OD2-OG1 3.21Å; D94-V98 PolarHBondContact O-N 3.16Å
95P75.3Confident71.2Confident59 Ų5989.4 Ų89.438%0.38349%0.494SS..THydrogen-bonded Turntrans-65.6-15.7-17625.3-36.4000116W8 T97W8-P95 HydrophobicContact CZ2-CB 3.99Å; P95-T97 VanDerWaalsContact C-N 3.29Å
96M69.9Low68.7Low146 Ų14696.2 Ų96.272%0.71952%0.522SS*.THydrogen-bonded Turntrans-81.7-12.3173.1-152.962.616800112.2D94 R100D94-M96 PolarHBondContact O-N 3.03Å; D94-M96 VanDerWaalsContact O-N 3.16Å; D94-M96 VanDerWaalsContact OD2-CA 3.28Å; D94-M96 WeakPolarHBondContact OD2-CA 3.45Å; D94-M96 WeakPolarHBondContact OD2-CB 3.46Å; D94-M96 PolarHBondContact OD2-N 3.26Å; M96-R100 PolarHBondContact O-NE 3.27Å; M96-R100 PolarHBondContact O-NH2 3.08Å
97T74.3Confident66.4Low68 Ų6898.6 Ų98.642%0.41754%0.539SS..THydrogen-bonded Turntrans-96.7-32.1175.8-51.80000112M93 D94 P95 G99 R100M93-T97 HydrophobicContact CE-CG2 3.94Å; D94-T97 WeakPolarHBondContact O-CB 3.38Å; D94-T97 PolarHBondContact O-N 3.33Å; D94-T97 PolarHBondContact OD2-N 2.95Å; D94-T97 PolarHBondContact OD2-OG1 3.21Å; P95-T97 VanDerWaalsContact C-N 3.29Å; T97-G99 PolarHBondContact O-N 2.75Å; T97-G99 VanDerWaalsContact O-N 3.08Å; T97-R100 PolarHBondContact O-N 3.16Å
98V73.4Confident63.9Low6 Ų6103.9 Ų103.94%0.03657%0.57CS.*THydrogen-bonded Turntrans-61.2110-177.1177.90000112.8W8 K69 I71 I90 M93 D94W8-V98 HydrophobicContact CD2-CG1 4.46Å; W8-V98 HydrophobicContact CH2-CB 4.49Å; W8-V98 HydrophobicContact CH2-CG1 4.44Å; W8-V98 HydrophobicContact CH2-CG2 3.92Å; W8-V98 HydrophobicContact CZ2-CB 3.77Å; W8-V98 HydrophobicContact CZ2-CG1 3.79Å; W8-V98 HydrophobicContact CZ2-CG2 3.65Å; K69-V98 PolarHBondContact NZ-O 3.08Å; K69-V98 VanDerWaalsContact NZ-O 3.08Å; I71-V98 HydrophobicContact CB-CG1 4.39Å; I71-V98 HydrophobicContact CD1-CG1 3.87Å; I71-V98 HydrophobicContact CG1-CG1 3.83Å; I71-V98 HydrophobicContact CG2-CG1 3.75Å; I90-V98 HydrophobicContact CD1-CG1 3.92Å; I90-V98 HydrophobicContact CG1-CG1 4.19Å; I90-V98 HydrophobicContact CG1-CG2 4.24Å; M93-V98 HydrophobicContact CB-CG2 3.49Å; M93-V98 VanDerWaalsContact CB-CG2 3.49Å; M93-V98 HydrophobicContact CE-CG2 3.98Å; M93-V98 HydrophobicContact CG-CG2 4.36Å; M93-V98 HydrophobicContact SD-CG2 4.02Å; D94-V98 PolarHBondContact O-N 3.16Å
99G62.7Low61.5Low21 Ų21108 Ų10822%0.21659%0.589CS.*THydrogen-bonded Turntrans80.229.6-177.200000114.7K69 T97K69-G99 WeakPolarHBondContact CE-O 3.46Å; K69-G99 PolarHBondContact NZ-O 3.24Å; K69-G99 WeakPolarHBondContact O-CA 3.36Å; T97-G99 PolarHBondContact O-N 2.75Å; T97-G99 VanDerWaalsContact O-N 3.08Å
100R63Low58.9Low172 Ų172112 Ų11265%0.64961%0.605SS**  trans-84.8167.9134.5-87-177.7-91.1-169.2-3.8108.5M96 T97M96-R100 PolarHBondContact O-NE 3.27Å; M96-R100 PolarHBondContact O-NH2 3.08Å; T97-R100 PolarHBondContact O-N 3.16Å
101I51.2Low56.4Low140 Ų140117.4 Ų117.472%0.71864%0.643SS**  trans70.6122.4-159-47.5161.5000108.4
102E50Low53.8Low171 Ų171122.6 Ų122.680%0.79967%0.665SS**SBendcis-143.8142.431.7-147.8155.7-13400109
103G43.8Very low51.5Low80 Ų80122.2 Ų122.283%0.82567%0.668SS**SBendtrans150.8-3.1175.300000119.7
104D38.3Very low49.4Very low165 Ų165123.3 Ų123.388%0.88268%0.683SS**SBendtrans-148.757.3175.2-167.433.9000111.4
105C40.9Very low47.2Very low115 Ų115123.6 Ų123.678%0.77769%0.692SS**  trans-161.576.5170.3-164.90000111
106E41.8Very low45Very low190 Ų190126.3 Ų126.389%0.88871%0.713SS**  trans-124.248.8172.1-93.8-76.1123.800109.6
107S41.2Very low43.1Very low108 Ų108124.9 Ų124.976%0.75572%0.717SS**  trans-17896.9163-84.80000112
108L38.1Very low41.2Very low171 Ų171129.9 Ų129.990%0.89573%0.733SS**  174141.9113.5-91.2173.5000110.6
109N37.4Very low39.1Very low158 Ų158136 Ų13685%0.84577%0.765SS**  trans-87.1139.5-174.8-82.5-28.7000112.8
110F32.3Very low37.9Very low186 Ų186140.7 Ų140.782%0.81679%0.789SS**  trans57.5109.6133.7-149.6-85.9000119
111S31.3Very low36.6Very low122 Ų122140.2 Ų140.285%0.85379%0.794SS**  -166.9142.7121.3-80.70000111.9
112E32Very low35.6Very low184 Ų184140.7 Ų140.786%0.8680%0.798SS**  trans-109.2130.6-178.9175.2-169144.600109.7
113V32.8Very low34.7Very low145 Ų145136 Ų13688%0.87980%0.796SS**  trans-160.1162.8157.578.80000110.9
114S31.9Very low34.4Very low95 Ų95135.7 Ų135.766%0.66479%0.793SS**  trans-107.2-177.8-158.960.60000116.4
115S30.1Very low34.4Very low94 Ų94137.6 Ų137.666%0.65779%0.793SS**  trans69.394.7144.249.90000120.7
116S27.8Very low34.5Very low116 Ų116141.1 Ų141.181%0.81180%0.798SS**  43.5125.7120.263.40000122.2
117S30.3Very low34.2Very low115 Ų115141.8 Ų141.880%0.80480%0.798SS**  139.6170.2127.3-157.10000113.7
118K34.8Very low34.2Very low174 Ų174141.4 Ų141.476%0.75779%0.793SS**  trans-73.1172.4-172.7-45.7169.3-175.6173.50111.5
119D29.4Very low34.4Very low134 Ų134139.5 Ų139.572%0.71779%0.791SS**  cis-163.715942.8-98.7-55.5000114.6
120V38.5Very low34.6Very low119 Ų119140 Ų14072%0.72179%0.789SS**  trans43.1118137.8-179.80000123.3
121E34.8Very low35.3Very low162 Ų162137 Ų13776%0.75779%0.787SS**  trans70.9133.2144.4-116.1-166.790.500126.7
122N31.1Very low35.6Very low150 Ų150133.8 Ų133.880%0.80277%0.774SS**  trans67.7154138.1-121.8-34.8000123.3
123G30.5Very low36.6Very low73 Ų73129.9 Ų129.975%0.75377%0.773SS**  trans118.375.5170.200000115.8
124G37.3Very low37.8Very low73 Ų73132.4 Ų132.475%0.75377%0.772SS**  trans-79.1137.2178.200000115
125K38.5Very low39.3Very low206 Ų206134.3 Ų134.390%0.89678%0.78SS**  trans-163.3160154.3-110157.6-171.7173.70111.6
126E43.5Very low41.6Very low188 Ų188135 Ų13588%0.87978%0.784SS**  trans-84.5145.2-157.7-60.2158.7104.700115
127K33.9Very low44.4Very low204 Ų204132.6 Ų132.689%0.88777%0.767SS**  trans-154.3170.3162.2-107.8-152.6168.1175.40110.9
128P41.9Very low47.4Very low101 Ų101137.9 Ų137.966%0.65677%0.77SS**  trans-75.3165-151.2-12.127.8000114.5Q130P128-Q130 PolarHBondContact O-N 3.31Å; P128-Q130 VanDerWaalsContact O-N 3.08Å
129P43Very low50.3Low131 Ų131133.2 Ų133.285%0.85175%0.753SS**  trans-61.6113.1179.225.2-34.6000112.2
130Q40.6Very low53.4Low169 Ų169130.6 Ų130.679%0.7974%0.739SS**  trans-57.1151.1162.4-80.5-91.2-11.400110.6P128 G132P128-Q130 PolarHBondContact O-N 3.31Å; P128-Q130 VanDerWaalsContact O-N 3.08Å; Q130-G132 PolarHBondContact O-N 3.3Å
131P46.6Very low56.1Low122 Ų122130.3 Ų130.379%0.79273%0.726SS**  trans-75.163.9175.833.8-36.6000111.3
132G38.2Very low58.9Low55 Ų55125.9 Ų125.957%0.56771%0.707SS**  trans-57.3141.9171.300000110.8Q130 K134Q130-G132 PolarHBondContact O-N 3.3Å; G132-K134 PolarHBondContact O-N 2.8Å
133A53.8Low61.8Low101 Ų101126.3 Ų126.384%0.83570%0.703SS**  trans-56.9107.2-17800000110.3T135A133-T135 PolarHBondContact O-N 3.17Å
134K57.9Low64.8Low199 Ų199125.7 Ų125.787%0.86569%0.688SS**  trans-62.4110.9178-64.3-179.3-178179.30107.9G132 S136G132-K134 PolarHBondContact O-N 2.8Å; K134-S136 PolarHBondContact O-N 2.99Å; K134-S136 VanDerWaalsContact O-N 3.1Å
135T63.9Low67.4Low135 Ų135125.7 Ų125.783%0.82869%0.688SS**  trans-60.2113.9170.239.90000107.5A133 S137A133-T135 PolarHBondContact O-N 3.17Å; T135-S137 PolarHBondContact O-N 3.42Å
136S77.8Confident70.1Confident107 Ų107123.6 Ų123.675%0.74869%0.686SS**  trans-60.4113.3-171.746.60000110.2K134 D140K134-S136 PolarHBondContact O-N 2.99Å; K134-S136 VanDerWaalsContact O-N 3.1Å; S136-D140 VanDerWaalsContact CA-OD2 3.3Å; S136-D140 WeakPolarHBondContact CA-OD2 3.35Å
137S87.3Confident72.6Confident66 Ų66119.7 Ų119.746%0.46266%0.663SS.*  trans-71.3144.1178.2-175.40000108.7T135 N139 D140T135-S137 PolarHBondContact O-N 3.42Å; S137-N139 PolarHBondContact O-N 3.25Å; S137-D140 WeakPolarHBondContact CB-OD1 3.28Å; S137-D140 PolarHBondContact N-OD2 3.45Å; S137-D140 PolarHBondContact O-N 2.95Å
138R92.9Very high75.5Confident226 Ų226114.6 Ų114.685%0.85365%0.653SS**THydrogen-bonded Turntrans-50.8-27.7177.5177.8173.4173.278.72112.5Y141R138-Y141 WeakPolarHBondContact O-CD1 3.1Å; R138-Y141 WeakPolarHBondContact O-CE1 3.3Å
139N94.5Very high78Confident76 Ų76114.2 Ų114.241%0.40665%0.653SS.*THydrogen-bonded Turntrans-103.77.2-175-64.9-15.5000114.7S137 Y141 I142S137-N139 PolarHBondContact O-N 3.25Å; N139-Y141 PolarHBondContact O-N 2.82Å; N139-Y141 VanDerWaalsContact O-N 3.09Å; N139-I142 HydrophobicContact CB-CD1 4Å; N139-I142 HydrophobicContact CB-CG1 4.4Å; N139-I142 WeakPolarHBondContact O-CB 3.36Å; N139-I142 WeakPolarHBondContact O-CG1 3.11Å; N139-I142 PolarHBondContact O-N 2.83Å
140D94.2Very high80.4Confident79 Ų79113.9 Ų113.942%0.42264%0.639SS.*Hα-helixtrans-57.2-28.3179.1-74.6-19.1000112.7S136 S137 I142 H143 S144S136-D140 VanDerWaalsContact CA-OD2 3.3Å; S136-D140 WeakPolarHBondContact CA-OD2 3.35Å; S137-D140 WeakPolarHBondContact CB-OD1 3.28Å; S137-D140 PolarHBondContact N-OD2 3.45Å; S137-D140 PolarHBondContact O-N 2.95Å; D140-I142 PolarHBondContact O-N 2.84Å; D140-H143 PolarHBondContact O-N 3.41Å; D140-H143 VanDerWaalsContact O-N 3.13Å; D140-S144 PolarHBondContact O-N 3.33Å; D140-S144 VanDerWaalsContact O-N 3.14Å
141Y95.1Very high82.8Confident114 Ų114109.7 Ų109.745%0.44763%0.625SS.*Hα-helixtrans-57.2-34.3173.772.8-88.3000112.5R138 N139 H143 S144 Y147R138-Y141 WeakPolarHBondContact O-CD1 3.1Å; R138-Y141 WeakPolarHBondContact O-CE1 3.3Å; N139-Y141 PolarHBondContact O-N 2.82Å; N139-Y141 VanDerWaalsContact O-N 3.09Å; Y141-H143 VanDerWaalsContact C-N 3.28Å; Y141-H143 PolarHBondContact O-N 2.75Å; Y141-S144 WeakPolarHBondContact O-CB 3.14Å; Y141-S144 PolarHBondContact O-N 3.48Å; Y141-S144 PolarHBondContact O-OG 3.35Å; Y141-Y147 HydrophobicContact CD2-CD1 4.34Å; Y141-Y147 AromaticContact CD2-CD2 3.67Å; Y141-Y147 HydrophobicContact CD2-CD2 3.67Å; Y141-Y147 HydrophobicContact CD2-CE2 4.17Å; Y141-Y147 AromaticContact CD2-CG 3.77Å; Y141-Y147 HydrophobicContact CD2-CG 3.77Å; Y141-Y147 HydrophobicContact CE2-CD1 4.28Å; Y141-Y147 AromaticContact CE2-CD2 3.76Å; Y141-Y147 HydrophobicContact CE2-CD2 3.76Å; Y141-Y147 HydrophobicContact CE2-CE1 4.26Å; Y141-Y147 AromaticContact CE2-CE2 3.76Å; Y141-Y147 HydrophobicContact CE2-CE2 3.76Å; Y141-Y147 HydrophobicContact CE2-CG 4.03Å; Y141-Y147 WeakPolarHBondContact O-CB 3.18Å
142I94.7Very high84.8Confident68 Ų68110.2 Ų110.235%0.34962%0.62SS.*Hα-helixtrans-64.5-35179.8-56.3-177.7000111N139 D140 Y147N139-I142 HydrophobicContact CB-CD1 4Å; N139-I142 HydrophobicContact CB-CG1 4.4Å; N139-I142 WeakPolarHBondContact O-CB 3.36Å; N139-I142 WeakPolarHBondContact O-CG1 3.11Å; N139-I142 PolarHBondContact O-N 2.83Å; D140-I142 PolarHBondContact O-N 2.84Å; I142-Y147 HydrophobicContact CB-CD1 4.22Å; I142-Y147 HydrophobicContact CG1-CD1 4.14Å; I142-Y147 HydrophobicContact CG1-CE1 4.22Å; I142-Y147 HydrophobicContact CG2-CD1 4.13Å; I142-Y147 HydrophobicContact CG2-CE1 4.41Å
143H91.8Very high87.2Confident159 Ų159113.6 Ų113.674%0.73663%0.625SS**Hα-helixtrans-960.8-178.3-56.7-60.8000113.6D140 Y141 G145D140-H143 PolarHBondContact O-N 3.41Å; D140-H143 VanDerWaalsContact O-N 3.13Å; Y141-H143 VanDerWaalsContact C-N 3.28Å; Y141-H143 PolarHBondContact O-N 2.75Å; H143-G145 PolarHBondContact O-N 3.19Å
144S93.6Very high88.5Confident60 Ų60112 Ų11242%0.4261%0.608SS.*SBendtrans-67.8-13.4-179.368.50000115.2D140 Y141 L146D140-S144 PolarHBondContact O-N 3.33Å; D140-S144 VanDerWaalsContact O-N 3.14Å; Y141-S144 WeakPolarHBondContact O-CB 3.14Å; Y141-S144 PolarHBondContact O-N 3.48Å; Y141-S144 PolarHBondContact O-OG 3.35Å; S144-L146 PolarHBondContact O-N 3.44Å; S144-L146 PolarHBondContact OG-N 2.85Å; S144-L146 VanDerWaalsContact OG-N 3.1Å
145G92.7Very high89.4Confident73 Ų73108 Ų10875%0.75360%0.595SS**SBendtrans72.7-7.7-168.400000114.7H143H143-G145 PolarHBondContact O-N 3.19Å
146L94.6Very high89.8Confident163 Ų163107.8 Ų107.885%0.85359%0.589SS**SBendtrans-94.4-22.2176.6-56.1178.3000112.6S144S144-L146 PolarHBondContact O-N 3.44Å; S144-L146 PolarHBondContact OG-N 2.85Å; S144-L146 VanDerWaalsContact OG-N 3.1Å
147Y95.4Very high89.2Confident105 Ų105106.2 Ų106.241%0.41258%0.579SS.*  trans-85.1131172.5-178.3-104.8000110.6Y141 I142Y141-Y147 HydrophobicContact CD2-CD1 4.34Å; Y141-Y147 AromaticContact CD2-CD2 3.67Å; Y141-Y147 HydrophobicContact CD2-CD2 3.67Å; Y141-Y147 HydrophobicContact CD2-CE2 4.17Å; Y141-Y147 AromaticContact CD2-CG 3.77Å; Y141-Y147 HydrophobicContact CD2-CG 3.77Å; Y141-Y147 HydrophobicContact CE2-CD1 4.28Å; Y141-Y147 AromaticContact CE2-CD2 3.76Å; Y141-Y147 HydrophobicContact CE2-CD2 3.76Å; Y141-Y147 HydrophobicContact CE2-CE1 4.26Å; Y141-Y147 AromaticContact CE2-CE2 3.76Å; Y141-Y147 HydrophobicContact CE2-CE2 3.76Å; Y141-Y147 HydrophobicContact CE2-CG 4.03Å; Y141-Y147 WeakPolarHBondContact O-CB 3.18Å; I142-Y147 HydrophobicContact CB-CD1 4.22Å; I142-Y147 HydrophobicContact CG1-CD1 4.14Å; I142-Y147 HydrophobicContact CG1-CE1 4.22Å; I142-Y147 HydrophobicContact CG2-CD1 4.13Å; I142-Y147 HydrophobicContact CG2-CE1 4.41Å
148S94.8Very high87.7Confident97 Ų97109.1 Ų109.168%0.67860%0.598SS**  trans-135.3141.9171.6-174.40000108.9
149S94.4Very high86.1Confident93 Ų93105.7 Ų105.765%0.6560%0.597SS**  trans-126.1134.3-178.3-173.80000109.9
150F93.1Very high84.3Confident125 Ų125107 Ų10755%0.54861%0.608SS.*  trans-146.3156.3-179.459.6-93.6000110L155F150-L155 HydrophobicContact CD2-CD1 4.23Å; F150-L155 HydrophobicContact CD2-CD2 4.05Å; F150-L155 HydrophobicContact CD2-CG 3.99Å; F150-L155 HydrophobicContact CE2-CD1 3.67Å; F150-L155 HydrophobicContact CE2-CD2 4.09Å; F150-L155 HydrophobicContact CE2-CG 3.94Å; F150-L155 HydrophobicContact CZ-CD1 4.43Å
151T91.9Very high82.8Confident81 Ų81112.4 Ų112.450%0.49763%0.628SS.*  trans-88.3150169.874.90000110N153 S154T151-N153 PolarHBondContact O-N 3.1Å; T151-S154 VanDerWaalsContact O-CB 3.26Å; T151-S154 WeakPolarHBondContact O-CB 3.33Å; T151-S154 PolarHBondContact O-N 2.63Å; T151-S154 PolarHBondContact OG1-N 3.23Å; T151-S154 PolarHBondContact OG1-OG 2.93Å
152L88.8Confident81Confident132 Ų132114 Ų11469%0.69164%0.643SS**Hα-helixtrans-58.2-33.1176.3-65.3176.4000112S154 L155L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-L155 PolarHBondContact O-N 3.23Å
153N89.3Confident79.1Confident127 Ų127119.9 Ų119.968%0.67967%0.666SS**Hα-helixtrans-62.2-33.7174.2-62.870.8000112.7T151 L155 N156T151-N153 PolarHBondContact O-N 3.1Å; N153-L155 PolarHBondContact O-N 3.29Å; N153-N156 PolarHBondContact O-N 3.14Å; N153-N156 VanDerWaalsContact O-N 3.11Å
154S79.6Confident77.4Confident68 Ų68121.7 Ų121.748%0.47667%0.672SS.*Hα-helixtrans-63.7-25.4177.5-54.30000113.2T151 L152T151-S154 VanDerWaalsContact O-CB 3.26Å; T151-S154 WeakPolarHBondContact O-CB 3.33Å; T151-S154 PolarHBondContact O-N 2.63Å; T151-S154 PolarHBondContact OG1-N 3.23Å; T151-S154 PolarHBondContact OG1-OG 2.93Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.19Å
155L77.2Confident75.3Confident114 Ų114126.5 Ų126.560%0.59769%0.692SS**Hα-helixtrans-75.2-28175-60.5-177.6000112.7F150 L152 N153 S157F150-L155 HydrophobicContact CD2-CD1 4.23Å; F150-L155 HydrophobicContact CD2-CD2 4.05Å; F150-L155 HydrophobicContact CD2-CG 3.99Å; F150-L155 HydrophobicContact CE2-CD1 3.67Å; F150-L155 HydrophobicContact CE2-CD2 4.09Å; F150-L155 HydrophobicContact CE2-CG 3.94Å; F150-L155 HydrophobicContact CZ-CD1 4.43Å; L152-L155 PolarHBondContact O-N 3.23Å; N153-L155 PolarHBondContact O-N 3.29Å; L155-S157 VanDerWaalsContact C-N 3.35Å
156N72.2Confident73.5Confident130 Ų130130.1 Ų130.170%0.69569%0.693SS**SBendtrans-87.8-2.5-176.2-66.9-31.2000113.4N153 S158N153-N156 PolarHBondContact O-N 3.14Å; N153-N156 VanDerWaalsContact O-N 3.11Å; N156-S158 VanDerWaalsContact C-N 3.31Å; N156-S158 PolarHBondContact O-N 3.1Å
157S64.4Low71.1Confident75 Ų75130.2 Ų130.252%0.52469%0.686SS.*  trans-71.482.3172.7-67.40000111.1L155 N159L155-S157 VanDerWaalsContact C-N 3.35Å; S157-N159 PolarHBondContact O-N 3.03Å
158S57.6Low68.9Low126 Ų126131.5 Ų131.588%0.88171%0.705SS**THydrogen-bonded Turntrans-64.921.3-172.758.20000116.7N156N156-S158 VanDerWaalsContact C-N 3.31Å; N156-S158 PolarHBondContact O-N 3.1Å
159N57.8Low66.5Low154 Ų154133.9 Ų133.982%0.82471%0.706SS**THydrogen-bonded Turntrans-121.88.4-178.9-146.2-104000115.1S157S157-N159 PolarHBondContact O-N 3.03Å
160V58.4Low63.9Low104 Ų104135.7 Ų135.763%0.6371%0.708SS**  trans-102.9101.4173.8-163.90000111L162V160-L162 HydrophobicContact CG1-CB 4.32Å; V160-L162 HydrophobicContact CG1-CD1 4.07Å; V160-L162 HydrophobicContact CG1-CG 3.78Å; V160-L162 PolarHBondContact O-N 3.13Å
161K60.9Low61.8Low193 Ų193135.9 Ų135.984%0.83972%0.722SS**  trans-74.163.3171.3-67.9179.5179175.10111F163K161-F163 PolarHBondContact O-N 3.38Å
162L58Low59.4Low148 Ų148135.6 Ų135.678%0.77573%0.728SS**  trans-64.4-29.5-176.2-111.7165.7000112.7V160 K164V160-L162 HydrophobicContact CG1-CB 4.32Å; V160-L162 HydrophobicContact CG1-CD1 4.07Å; V160-L162 HydrophobicContact CG1-CG 3.78Å; V160-L162 PolarHBondContact O-N 3.13Å; L162-K164 PolarHBondContact O-N 3.26Å
163F54.6Low57.4Low191 Ų191137.9 Ų137.984%0.83874%0.735SS**  trans-88.597.3163.3-59.6-74.6000109.6K161 L165K161-F163 PolarHBondContact O-N 3.38Å; F163-L165 PolarHBondContact O-N 2.91Å
164K57.3Low55Low197 Ų197141.5 Ų141.586%0.85775%0.745SS**  trans-63.196.1148.7-83.6-173.9176.7178.70106.4L162 I166L162-K164 PolarHBondContact O-N 3.26Å; K164-I166 PolarHBondContact O-N 3.09Å
165L49.5Very low53.2Low161 Ų161146.9 Ų146.984%0.84377%0.767SS**  trans-52.2113.9173.5-171.475.4000107.6F163 K167F163-L165 PolarHBondContact O-N 2.91Å; L165-K167 PolarHBondContact O-N 2.8Å
166I53.3Low51.4Low148 Ų148145.5 Ų145.576%0.75977%0.772SS**  trans-61.9114.7173.2-64.5176.4000105.3K164 T168K164-I166 PolarHBondContact O-N 3.09Å; I166-T168 VanDerWaalsContact C-N 3.29Å; I166-T168 PolarHBondContact O-N 3.01Å
167K44.1Very low49.6Very low166 Ų166146.7 Ų146.772%0.72277%0.774SS**  trans-68.792.1179.4-176.2-165174.6-152.10107.4L165 E169L165-K167 PolarHBondContact O-N 2.8Å; K167-E169 VanDerWaalsContact C-N 3.26Å; K167-E169 IonicContact NZ-OE2 3.28Å; K167-E169 PolarHBondContact O-N 2.91Å
168T50.7Low48.3Very low132 Ų132151.4 Ų151.481%0.8179%0.785SS**  trans-6491.9169.9-49.80000108I166 N170I166-T168 VanDerWaalsContact C-N 3.29Å; I166-T168 PolarHBondContact O-N 3.01Å; T168-N170 PolarHBondContact O-N 3.01Å
169E44.2Very low47Very low147 Ų147154.2 Ų154.269%0.68778%0.781SS**  trans-65.2124.4172-171.7161.3118.200108.5K167 P171K167-E169 VanDerWaalsContact C-N 3.26Å; K167-E169 IonicContact NZ-OE2 3.28Å; K167-E169 PolarHBondContact O-N 2.91Å; E169-P171 WeakPolarHBondContact O-CD 3.5Å
170N39.5Very low45.8Very low131 Ų131151.6 Ų151.670%0.70178%0.775SS**  trans-86.5110.8-178-173.118.7000108.7T168 A172T168-N170 PolarHBondContact O-N 3.01Å; N170-A172 PolarHBondContact O-N 2.78Å
171P48.5Very low45.1Very low129 Ų129151.8 Ų151.884%0.83878%0.778SS**THydrogen-bonded Turntrans-82.352.2-168.135.8-37.4000112.4E169E169-P171 WeakPolarHBondContact O-CD 3.5Å
172A41.8Very low43.7Very low75 Ų75150.7 Ų150.762%0.6278%0.776SS**THydrogen-bonded Turntrans-111.5-16-173.400000114.4N170N170-A172 PolarHBondContact O-N 2.78Å
173E46.9Very low42.4Very low180 Ų180151.1 Ų151.184%0.84177%0.774SS**  trans-124.575.1-170.2-67.6-173.5-18000113.6
174K39.5Very low41.7Very low203 Ų203147.4 Ų147.488%0.88377%0.769SS**  trans-154.789.4154.7-91.6-123.9173.5-1690112.3
175L41.3Very low40.4Very low181 Ų181144.7 Ų144.795%0.94877%0.769SS**  trans-12961.3166.5-149.4174.9000110
176A39.4Very low40.2Very low85 Ų85142.9 Ų142.970%0.70277%0.767SS**  trans-152.3120.9173.500000112.9
177E33.7Very low39.4Very low155 Ų155140.8 Ų140.872%0.72477%0.766SS**  trans42.6118.7156-59.9-141.384.300124.7
178K36.6Very low38.6Very low174 Ų174139 Ų13976%0.75777%0.768SS**  60.1108126.7-69.3-178.1-174.7138.30123.3
179K30.3Very low38.3Very low185 Ų185138.9 Ų138.980%0.80476%0.761SS**  92.2103.3107.3-164.2175.5178.9-1780121.3
180S32.6Very low38.2Very low99 Ų99141 Ų14169%0.69277%0.768SS**  trans77.4161.4141.774.60000120.3
181P44Very low38.1Very low107 Ų107143.8 Ų143.870%0.69577%0.774SS**  -139.1-176.8-52.840.7-25.2000114.6
182Q31.6Very low37.4Very low170 Ų170144 Ų14479%0.79477%0.773SS**  trans67.8151.9170.2-96.2167.6-80.700117.1
183E30.3Very low37.1Very low157 Ų157146.7 Ų146.773%0.73478%0.782SS**  cis-149.1152.2-5.6-167.2162.7130.700109.9
184P40.3Very low36.8Very low114 Ų114144.2 Ų144.274%0.7478%0.779SS**  trans-103.8152.3-169.138.2-33.1000116.3
185T30.8Very low36.8Very low140 Ų140140.2 Ų140.286%0.85977%0.774SS**  trans-136.9156.7164.834.70000111
186P45.8Very low36.3Very low123 Ų123137.2 Ų137.280%0.79977%0.768SS**  trans-104.7159.5-130.137.2-37.5000117.9
187S34.5Very low35.9Very low104 Ų104142.4 Ų142.473%0.72778%0.775SS**  trans-79.8147.9171.5173.70000113.1
188V29.3Very low35.9Very low129 Ų129143.9 Ų143.978%0.78278%0.779SS**  trans-134.974.2163.7-169.10000111.1
189I44.4Very low36.7Very low129 Ų129140.8 Ų140.866%0.66278%0.776SS**  trans-131.8116.4150.4-57.3-178.6000107.5F191I189-F191 HydrophobicContact CG2-CD2 3.79Å; I189-F191 HydrophobicContact CG2-CE2 3.53Å; I189-F191 HydrophobicContact CG2-CZ 4.34Å
190K41.5Very low37.5Very low191 Ų191137.5 Ų137.583%0.8377%0.774SS**  trans-106.5101.2179.3-66.7-178.7-178.9178.40109.9
191F37.7Very low37.6Very low189 Ų189138.4 Ų138.483%0.82978%0.775SS**  trans-90.6133.4161.7-74.5-74.5000109.4I189I189-F191 HydrophobicContact CG2-CD2 3.79Å; I189-F191 HydrophobicContact CG2-CE2 3.53Å; I189-F191 HydrophobicContact CG2-CZ 4.34Å
192V32.7Very low37Very low134 Ų134141.5 Ų141.581%0.81278%0.78SS**  trans-98.4122.8178.7175.90000109.2
193T36.4Very low37.9Very low131 Ų131138.1 Ų138.180%0.80477%0.773SS**  trans-134.4124.3170.5-59.10000108.7
194T39.7Very low38Very low129 Ų129137 Ų13779%0.79178%0.777SS**  trans-100.1132.5178.843.50000111.3
195P41Very low37.5Very low118 Ų118137.4 Ų137.477%0.76678%0.777SS**  trans-117.8156.6-18039-30.9000115.8
196S30.8Very low37.6Very low119 Ų119134.5 Ų134.583%0.83277%0.767SS**  trans75.4148.5166.6-133.20000116.1
197K31Very low36.8Very low194 Ų194134.9 Ų134.984%0.84377%0.768SS**  cis-156.9163.635.7-164.3171-179.2179.60114.3
198K32.3Very low36.7Very low186 Ų186137.2 Ų137.281%0.80977%0.77SS**  trans-146.5-178.5172.7-78.7-170.9177.2-175.20108.5
199P54.3Low36.6Very low108 Ų108135.8 Ų135.870%0.70177%0.766SS**  cis-116.2-155.1-44.933.1-12.7000109.9
200P46.3Very low35.9Very low116 Ų116136 Ų13675%0.75377%0.773SS**  -143.9141.785.635.9-16.8000115.8
201V34.2Very low35.4Very low118 Ų118131.8 Ų131.872%0.71577%0.768SS**  68.8108.2102.6-178.10000114.5
202E32.6Very low36Very low172 Ų172128.3 Ų128.380%0.80476%0.764SS**  85.5165.766.4-111.8-166.2-177.900115
203P50.2Low35.6Very low100 Ų100127.2 Ų127.265%0.64976%0.763SS**  cis-114.3-143.6-22.717.88.1000110.3
204V32.7Very low35.4Very low133 Ų133128.6 Ų128.681%0.80676%0.763SS**  cis-161176.1-0.1-130.50000105.9
205V29.9Very low34.9Very low123 Ų123127.5 Ų127.575%0.74576%0.761SS**  cis-143.4127.2-0.9-175.20000104.8
206A32.1Very low35.4Very low79 Ų79127.8 Ų127.865%0.65376%0.763SS**  69.3123.877.900000119.8
207T28.7Very low35.2Very low131 Ų131127.3 Ų127.380%0.80476%0.76SS**  trans66.6156161.632.60000118.9
208I32.6Very low35.4Very low153 Ų153122.8 Ų122.879%0.78575%0.752SS**  cis-149.9151.49.49.3172000113
209S28.5Very low35.3Very low98 Ų98122.2 Ų122.269%0.68575%0.753SS**  trans52.9144.3134.6-159.10000125.2
210T29Very low34.5Very low133 Ų133126.3 Ų126.382%0.81676%0.762SS**  trans80.5138.7147.514.10000122.3
211S30.2Very low34Very low104 Ų104125.3 Ų125.373%0.72776%0.755SS**  trans-110.2-173.5162.5630000108.4
212P50.1Low34.5Very low115 Ų115126.4 Ų126.475%0.74776%0.755SS**  cis-139.6-170.42.842.8-24000116.3
213S25.9Very low34.6Very low112 Ų112127.4 Ų127.478%0.78376%0.76SS**  trans93.5167.1149.8-151.20000120.3
214I31.4Very low33.8Very low159 Ų159126.7 Ų126.782%0.81576%0.762SS**  trans95.9108.6170.6-53.8172.2000117.7
215S28.4Very low33.8Very low107 Ų107127.9 Ų127.975%0.74876%0.763SS**  trans-114.6-176.7151.7-39.10000107.3
216P52.5Low33.9Very low123 Ų123130.1 Ų130.180%0.79977%0.765SS**  cis-136.6-140.2-1.643.1-22000112.4
217S26.6Very low33.8Very low110 Ų110131.3 Ų131.377%0.76977%0.765SS**  trans79.2150.4170-143.70000115.7
218S34.5Very low33.9Very low98 Ų98132.4 Ų132.469%0.68577%0.765SS**  cis-156.1154.4-9.211.60000106.6
219E31.5Very low33.8Very low175 Ų175131.2 Ų131.282%0.81876%0.764SS**  cis82.6118.946.9-162.7179.3160.400115.1
220E37.6Very low33.9Very low193 Ų193131.6 Ų131.690%0.90277%0.767SS**  trans-159.1116.6-178.4-176.3176.2-114.200108.3
221T35.6Very low34.8Very low96 Ų96130.7 Ų130.759%0.58976%0.763SS**  cis8999.81.3-55.30000114.8
222I44.4Very low34.6Very low140 Ų140135.6 Ų135.672%0.71877%0.772SS**  cis-161.9154.5-5.5-15161.7000110.3
223Q33.5Very low33.8Very low194 Ų194137.5 Ų137.591%0.90777%0.774SS**  trans178.2154.5141.4-100.4149.394.500113.2
224A33.4Very low34.4Very low84 Ų84138.3 Ų138.369%0.69478%0.777SS**  cis157.2131.9-43.100000110
225L33.5Very low34.3Very low158 Ų158135.5 Ų135.583%0.82777%0.772SS**  trans148.4108.8163.8-85.1162000107.5
226E31.2Very low34.5Very low170 Ų170137.1 Ų137.179%0.79477%0.771SS**  58.9121.993.1-120.8-179.5143.800112.6
227T29.6Very low33.5Very low105 Ų105140.1 Ų140.164%0.64477%0.774SS**  -170.6140.453.2-64.90000113.1
228L31.4Very low33.8Very low154 Ų154139.2 Ų139.281%0.80677%0.774SS**  trans56.1129.1156.9-67.8169.7000124.6
229V31.2Very low34.1Very low128 Ų128140.8 Ų140.878%0.77678%0.782SS**  trans84145.5133.9170.60000121.7
230S31.2Very low33.9Very low106 Ų106138.4 Ų138.474%0.74178%0.78SS**  trans-157.6177.6178.4-75.60000108
231P47.4Very low33.7Very low114 Ų114135 Ų13574%0.7478%0.777SS**  cis-134.5161.1-44.137.1-22.9000113.3
232K25.5Very low33.6Very low207 Ų207134.3 Ų134.390%0.978%0.781SS**  trans-160147158.9-142.671.7-179.7-177.10116.9
233L34Very low33Very low154 Ų154132.4 Ų132.481%0.80678%0.78SS**  trans-66.8158.7156.8-91.7155.2000111.3
234P39Very low33.1Very low129 Ų129130.5 Ų130.584%0.83878%0.776SS**  -148.3-177.498.841.3-24.8000116.9
235S28.6Very low33.2Very low101 Ų101132.7 Ų132.771%0.70678%0.78SS**  trans-91.7166.5-166.6-168.80000115.9
236L32.7Very low33.3Very low141 Ų141130.3 Ų130.374%0.73877%0.772SS**  trans78.2143143.2-12176.8000123.1
237E30.5Very low33.6Very low185 Ų185128.1 Ų128.186%0.86477%0.771SS**  trans68.9157150.1-87.9172.9163.300122.2
238A33.2Very low34.1Very low92 Ų92128.6 Ų128.676%0.7677%0.773SS**  trans-129.7157.7-17400000110.4
239P41.7Very low34.5Very low131 Ų131131 Ų13185%0.85178%0.778SS**  trans-121.4-179.1160.432.6-17.4000113.6
240T27Very low34.6Very low125 Ų125128.8 Ų128.877%0.76777%0.773SS**  trans-114.8161.4-157.254.70000115.2
241S32.3Very low34.9Very low120 Ų120130.7 Ų130.784%0.83978%0.78SS**  trans74.2160.2155.2-48.80000116.4
242A34.6Very low34.9Very low82 Ų82131 Ų13168%0.67878%0.78SS**  cis-155.9166.814.600000114
243S32.4Very low36.6Very low100 Ų100126.4 Ų126.470%0.69977%0.771SS**  trans60.9136.3149.4510000120.6
244N33.8Very low37.6Very low155 Ų155123.8 Ų123.883%0.82976%0.764SS**  cis-143.9-138.9-0.2-95.3-17.7000109.2
245V37.3Very low37.4Very low129 Ų129125 Ų12578%0.78276%0.762SS**  cis-155.1158.714.3-178.80000111
246T35Very low37.6Very low108 Ų108125.3 Ų125.366%0.66376%0.763SS**  trans-26140.1165.1-31.50000115.7
247T37.6Very low37.7Very low125 Ų125124.2 Ų124.277%0.76777%0.768SS**  -161.1119.762-53.70000116.6
248V40.2Very low38.2Very low114 Ų114123.2 Ų123.269%0.69177%0.766SS**  trans24.9118.9139.8-170.50000121
249F39.1Very low39.6Very low206 Ų206124.1 Ų124.190%0.90477%0.765SS**  -157158112.6-124.9-85.3000111
250A34.2Very low40.1Very low80 Ų80123 Ų12366%0.66176%0.757SS**  trans-149.4146.2-169.100000115.1
251T36.9Very low40.4Very low147 Ų147124 Ų12490%0.90276%0.758SS**  trans-141.6151.7156.8-42.90000108.1
252T46.8Very low40.6Very low120 Ų120125.8 Ų125.874%0.73675%0.752SS**  trans-122.6-158.4-16151.30000112.7
253P60.9Low40.4Very low111 Ų111129.7 Ų129.772%0.72176%0.757SS**  -122.8-145.3-91.843.1-24.8000110.4
254P54.9Low41.7Very low99 Ų99130 Ų13064%0.64376%0.756SS**  cis-140.2-179.5-10.334.9-12.3000117.6
255I35.4Very low42.7Very low155 Ų155127.8 Ų127.880%0.79575%0.75SS**  trans66.5120.2156.5-69.4152.6000117.1
256S33.7Very low42.4Very low106 Ų106133.4 Ų133.474%0.74176%0.758SS**  cis85.9107.59.9-159.50000119.3
257S34.1Very low42.6Very low119 Ų119134.5 Ų134.583%0.83276%0.764SS**  trans-174.9163.1152.4-82.50000111.8
258I41.9Very low43.1Very low163 Ų163134.3 Ų134.384%0.83677%0.765SS**  trans-130.6-150.5-170.3-29.1179.7000112.9
259P61Low42.9Very low111 Ų111134.2 Ų134.272%0.72177%0.769SS**  trans-107.3-156.1-143.845.5-27.2000113
260P53.5Low44.1Very low108 Ų108130.1 Ų130.170%0.70176%0.764SS**  cis-144.9-157.74.535.7-8.8000117.1
261L32.2Very low45.2Very low147 Ų147132.3 Ų132.377%0.7777%0.771SS**  trans87.1103.6153.9-70162.4000123
262Q37.9Very low45Very low156 Ų156133.1 Ų133.173%0.72977%0.769SS**  50.5120.8113.1-161.9164.1-13.800124.5
263E30.1Very low44.3Very low165 Ų165132.8 Ų132.877%0.77177%0.771SS**  trans88.7158.5148.7-84.6-165.483.600123.6
264P59.3Low42.9Very low105 Ų105132.8 Ų132.868%0.68277%0.774SS**  trans-129-131.9-146.841.4-17.5000111.8
265P54.4Low42.1Very low109 Ų109134.6 Ų134.671%0.70877%0.774SS**  cis-130.6-180-29.438.7-22.1000115.2
266R32.1Very low43Very low248 Ų248132.9 Ų132.994%0.93677%0.773SS**  trans-165.8164.6147.6-113167.3-167.4179.84.7116.9
267T37.6Very low43.1Very low131 Ų131133.6 Ų133.680%0.80477%0.768SS**  trans-96.8-177.1-177.742.30000112.1
268P49.6Very low43.4Very low120 Ų120135.7 Ų135.778%0.77977%0.768SS**  cis-145.7-157.322.544.9-21.7000118.4
269S35Very low43Very low112 Ų112134.6 Ų134.678%0.78376%0.764SS**  trans-156.2-175.4-177.3-41.90000109.5
270P65.4Low42.2Very low121 Ų121135 Ų13579%0.78676%0.764SS**  cis-110.8-105.3-5.423.12.6000113.8
271P55.5Low41.4Very low126 Ų126135.9 Ų135.982%0.81876%0.764SS**  cis-117.4-123.613.642.7-26.4000116.1
272L32.9Very low41.8Very low164 Ų164135.4 Ų135.486%0.85976%0.76SS**  trans-156.1152.8-159.9-177.767.8000115.9
273S32.8Very low41.8Very low112 Ų112134.7 Ų134.778%0.78376%0.761SS**  trans134.3155.6155.667.60000112.4
274S32.3Very low42.6Very low111 Ų111131.4 Ų131.478%0.77676%0.757SS**  cis-150.2173.53.9650000112.6
275H38.2Very low41.4Very low138 Ų138133 Ų13364%0.63976%0.764SS**  trans-73.2165.4159.8-139.4-124.1000110D277H275-D277 IonicContact CE1-OD1 2.74Å; H275-D277 PolarHBondContact CE1-OD1 2.91Å; H275-D277 VanDerWaalsContact CE1-OD1 3.28Å; H275-D277 IonicContact CE1-OD2 3.61Å; H275-D277 IonicContact ND1-OD1 3.51Å; H275-D277 IonicContact ND1-OD2 2.87Å; H275-D277 PolarHBondContact ND1-OD2 3.11Å
276P53.3Low40.5Very low119 Ų119131.9 Ų131.977%0.77377%0.765SS**  -147.7-172.279.541.6-22.6000116.1
277D35.3Very low41.1Very low121 Ų121126 Ų12665%0.64776%0.761SS**  trans-96.8167.7-163.2-51.6-109.5000115.6H275H275-D277 IonicContact CE1-OD1 2.74Å; H275-D277 PolarHBondContact CE1-OD1 2.91Å; H275-D277 VanDerWaalsContact CE1-OD1 3.28Å; H275-D277 IonicContact CE1-OD2 3.61Å; H275-D277 IonicContact ND1-OD1 3.51Å; H275-D277 IonicContact ND1-OD2 2.87Å; H275-D277 PolarHBondContact ND1-OD2 3.11Å
278I42Very low41.3Very low162 Ų162128.2 Ų128.283%0.83176%0.762SS**  trans169.7124.3149.3-89.4152.4000106.3
279D32.9Very low41.2Very low141 Ų141128.5 Ų128.575%0.75476%0.764SS**  cis110.5153.824.1-160.8-0.7000111.8
280T44.1Very low41.2Very low118 Ų118130.3 Ų130.372%0.72476%0.762SS**  trans97.299.5-176.6-32.30000118.1
281D36.6Very low39.8Very low128 Ų128131.3 Ų131.368%0.68476%0.756SS**  26.9156.4113.9-72.7-99.4000121.9
282I41.5Very low38.6Very low136 Ų136132.3 Ų132.370%0.69775%0.754SS**  cis-169.4150.6-8.7-174.4150.5000106
283D37.9Very low38.7Very low141 Ų141128.2 Ų128.275%0.75474%0.744SS**  -177.8173.884.2-170.2-141.4000112.8
284S46.5Very low38.3Very low97 Ų97131.8 Ų131.868%0.67875%0.748SS**  trans-115.4-154.2-157.8-600000115.2
285V34.5Very low38.4Very low137 Ų137133.9 Ų133.983%0.8375%0.751SS**  trans87.9130.9172.9-170.90000116.3
286A35.6Very low37.9Very low87 Ų87135.6 Ų135.672%0.71976%0.764SS**  168.6139.5-56.300000109.3
287S42.7Very low36.6Very low123 Ų123134.8 Ų134.886%0.8676%0.761SS**  trans-171.689.5153.7-91.60000111.8
288Q42.5Very low36.3Very low179 Ų179137.1 Ų137.184%0.83677%0.772SS**  20.5157.9124.1-86.7-1704.500122
289P48Very low35.6Very low126 Ų126136 Ų13682%0.81876%0.763SS**  cis-128.5-175.834.740.5-23.9000117.9
290M34.8Very low36.2Very low150 Ų150135 Ų13574%0.73977%0.765SS**  trans-138.2-173.8-168.3-173.7174.311500109.9
291E37Very low35.7Very low141 Ų141136.6 Ų136.666%0.65976%0.762SS**  trans88.9144.4172.7-58-70.171.700115.8
292L29Very low35.3Very low148 Ų148136.2 Ų136.278%0.77576%0.76SS**  cis-141.5161.38.7-136.3159.3000110.5
293A34.5Very low35Very low78 Ų78137.2 Ų137.265%0.64576%0.761SS**  trans-101165.3176.800000112.7
294E25.4Very low34.5Very low187 Ų187137 Ų13787%0.87476%0.76SS**  -170.4169.1122.2-105.8-173.1128.800111.8
295N33.7Very low33.9Very low155 Ų155136.8 Ų136.883%0.82976%0.759SS**  trans-133.7146.5177.3-108.9-104.7000108.7
296L28.9Very low33.6Very low174 Ų174136.7 Ų136.791%0.91176%0.758SS**  trans-159.8160.3146.8-111.9169.8000111.5
297S25.9Very low33.4Very low101 Ų101139.8 Ų139.871%0.70676%0.762SS**  trans-107.3169-169.2-176.90000111.8
298L27.9Very low33.6Very low171 Ų171139.3 Ų139.390%0.89576%0.756SS**  trans-164.4150.6135.4-105.6167.8000112.7
299E28.5Very low33.1Very low137 Ų137137.6 Ų137.664%0.6475%0.748SS**  trans-124.8152.8177.2-139.5-91.9128.400106.4K301E299-K301 PolarHBondContact OE1-N 3.23Å; E299-K301 PolarHBondContact OE2-N 3.29Å; E299-K301 VanDerWaalsContact OE2-N 3.16Å
300P45.3Very low32.3Very low121 Ų121138.1 Ų138.179%0.78674%0.737SS**  -156.2121.6106.235.7-14.9000117.2
301K32.1Very low32Very low152 Ų152136.2 Ų136.266%0.66173%0.73SS**  26.5121.5119.5-177.7177.8179.2-177.30119.1E299E299-K301 PolarHBondContact OE1-N 3.23Å; E299-K301 PolarHBondContact OE2-N 3.29Å; E299-K301 VanDerWaalsContact OE2-N 3.16Å
302D30Very low31.7Very low120 Ų120138 Ų13864%0.64274%0.736SS**  -165164.7110-113.2-34.6000116.2
303Q34.2Very low31.7Very low156 Ų156134.6 Ų134.673%0.72973%0.729SS**  trans-18.2155.5172.3-64.1149.981.100119.2
304D28.3Very low31.4Very low137 Ų137137.7 Ų137.773%0.73373%0.734SS**  cis-159.6-17725.5-144.3-59.1000114
305S32.6Very low31.7Very low92 Ų92135.3 Ų135.364%0.64373%0.727SS**  trans-56.3157.5-171.552.60000122.1
306V28.6Very low31.6Very low136 Ų136133.3 Ų133.382%0.82473%0.726SS**  180141.9106.6154.90000112.3
307L31.1Very low31.9Very low152 Ų152129.5 Ų129.580%0.79671%0.714SS**  trans-116.6170.2175-96.7169.6000109.4
308P47.8Very low32.1Very low112 Ų112135.6 Ų135.673%0.72772%0.721SS**  cis-125.3168.434.79.818.7000115
309E31.4Very low32.5Very low143 Ų143131.8 Ų131.867%0.66871%0.709SS**  47.3143.681.8-71.5-144.711900115.7
310K31Very low33Very low138 Ų138134.6 Ų134.660%0.672%0.719SS**  cis-160.9162.523-144.7176.4-177.966.50115.1
311D27.8Very low32.7Very low109 Ų109138.6 Ų138.658%0.58372%0.724SS**  trans61112.2141.3-92.7-23.8000123.6
312K32Very low33.6Very low180 Ų180136.6 Ų136.678%0.78373%0.726SS**  96.6144.1100.5-165.3164.1177.8175.10122.8
313A29.7Very low34Very low76 Ų76140.8 Ų140.863%0.62874%0.739SS**  trans78.298.215200000122.7
314N28.3Very low33.9Very low142 Ų142136.7 Ų136.776%0.75974%0.739SS**  66.9130.4104.8-765.7000124
315N31.2Very low34.6Very low137 Ų137138.8 Ų138.873%0.73375%0.749SS**  trans87.6127.8137.2-60.4-12.3000122.2
316S31.2Very low34.9Very low113 Ų113142.7 Ų142.779%0.7976%0.757SS**  trans66.9157.6136-73.20000121
317S35.5Very low35.5Very low95 Ų95144.6 Ų144.666%0.66476%0.762SS**  cis-169.2164.2-26.562.60000111.8
318R28.9Very low35.7Very low229 Ų229141.5 Ų141.586%0.86476%0.758SS**  trans52.5107.8145.3-80.2-178.4169171.3-2.3121
319S37.2Very low35.9Very low91 Ų91141.7 Ų141.764%0.63676%0.759SS**  98.2158.6103.679.60000122.3
320K39.4Very low36Very low196 Ų196140.5 Ų140.585%0.85276%0.762SS**  trans87.7117.4158.8-64.1162.8-173.8177.30119
321K38.6Very low36.3Very low204 Ų204141.7 Ų141.789%0.88777%0.774SS**  trans-85.9158.9152.8-61.1178.6177.7-178.50109.3
322P50.4Low36.7Very low110 Ų110142.6 Ų142.671%0.71478%0.784SS**  -133.7138.7110.735.4-24.7000112.2
323K38.4Very low36.8Very low208 Ų208142 Ų14290%0.90479%0.787SS**  5812596.5-54.5178.7178.8-178.10115.1
324G33.1Very low37.2Very low71 Ų71144.1 Ų144.173%0.73279%0.792SS**  trans155.9115.815400000116.6
325L42.1Very low37.4Very low181 Ų181142.3 Ų142.395%0.94879%0.791SS**  trans59.5141.8158.8-90.863.7000121.3
326E38.5Very low37.6Very low174 Ų174140.7 Ų140.781%0.81379%0.79SS**  trans-87.1160.1161.3-53.7-178.4116.100110.4
327L41.2Very low37.9Very low175 Ų175142.4 Ų142.492%0.91679%0.791SS**  -174.6156.5107.2-93.6163.6000109.5
328A36.4Very low38.9Very low87 Ų87143.2 Ų143.272%0.71979%0.793SS**  trans-126.1178.9-175.900000110.1
329P51.5Low39.2Very low116 Ų116137.5 Ų137.575%0.75379%0.789SS**  cis-120.7-174.8-45.736.4-23.5000110.5
330T32.9Very low39.9Very low118 Ų118138.2 Ų138.272%0.72479%0.791SS**  168.6127.2128.8-74.30000113.4
331L37.7Very low40Very low163 Ų163136.8 Ų136.885%0.85379%0.792SS**  trans9.3103.6152.4-53.2171.9000120
332V36.5Very low39.9Very low129 Ų129130.7 Ų130.778%0.78279%0.787SS**  trans-148133.6137-169.60000109.1
333I34.9Very low39.3Very low168 Ų168132.9 Ų132.986%0.86279%0.791SS**  trans-167.2135.9139.4-100.8156.1000107.7
334T37.5Very low39.2Very low119 Ų119130.6 Ų130.673%0.7379%0.788SS**  trans-113.7175.6-175.851.90000111.7
335S32.3Very low39.7Very low105 Ų105132.2 Ų132.273%0.73479%0.788SS**  trans-34.6154.5160.7540000114.6
336S36.4Very low40.3Very low103 Ų103129.9 Ų129.972%0.7278%0.784SS**  cis-165.2140.738.951.40000111.1
337D37.1Very low40.2Very low148 Ų148127.2 Ų127.279%0.79178%0.784SS**  77.6156.499.6-156.654.8000114.3
338P56.3Low40.4Very low112 Ų112126.9 Ų126.973%0.72778%0.782SS**  cis-123179.3-1.31314.1000117.9
339S33.8Very low41.2Very low109 Ų109128.3 Ų128.376%0.76278%0.784SS**  trans-84.9-172.7170.7-126.40000112.4
340P53.4Low40.7Very low106 Ų106129.6 Ų129.669%0.68879%0.79SS**  cis-143.4170.225.240.2-19.1000119.2
341L41.9Very low40.9Very low167 Ų167128.7 Ų128.787%0.87480%0.795SS**  152.5107.5129.9-84.5160.6000115.3
342G35.3Very low40.7Very low75 Ų75126.5 Ų126.577%0.77379%0.793SS**  trans64.3161.9146.600000120.9
343I37.8Very low41Very low156 Ų156128.3 Ų128.380%0.880%0.797SS**  cis-144.9129.7-16.2-51.3179.6000108.7
344L37.4Very low41.8Very low160 Ų160127 Ų12784%0.83880%0.798SS**  trans35.6123.4158.4-59.5172.2000121.9
345S43.2Very low42.6Very low106 Ų106127.2 Ų127.274%0.74180%0.801SS**  trans-116.2165.6142.5-57.60000109.1
346P53.8Low42.9Very low132 Ų132127 Ų12786%0.85781%0.806SS**  trans-114.2137.1154.434.7-25.9000111.8
347S36.8Very low43.1Very low117 Ų117131.2 Ų131.282%0.81881%0.811SS**  trans-110.4160.2-174.2-65.20000113.5
348L44.5Very low43.2Very low168 Ų168133.4 Ų133.488%0.8881%0.814SS**  trans-70.6139.2174.4-163.476.5000111.6
349P53.7Low42.1Very low117 Ų117132.5 Ų132.576%0.7681%0.81SS**  trans-83.6146.7173.332.9-33.9000112.7
350T42Very low42.3Very low144 Ų144136.3 Ų136.388%0.88382%0.816SS**  trans-142.2134.1166-171.30000110.6
351A36.6Very low41.6Very low98 Ų98137 Ų13781%0.8182%0.818SS**  trans-179.6159.4178.900000108.2
352S33.9Very low42.2Very low118 Ų118134.4 Ų134.483%0.82581%0.812SS**  cis-163.4164.8-27.9-172.40000106.9
353L43.1Very low42.6Very low166 Ų166137 Ų13787%0.86981%0.806SS**  trans-104.8129.5-177.1-74.6170000113.2
354T49.9Very low42.6Very low142 Ų142138 Ų13887%0.87181%0.812SS**  trans-157.9146.6153.313.20000111.2
355P56.1Low42.4Very low123 Ų123136.6 Ų136.680%0.79980%0.804SS**  trans-107.1160.9-174.939.6-34000114.9
356A37.8Very low42.5Very low101 Ų101137.5 Ų137.584%0.83581%0.805SS**  trans-147.5165.9167.900000111.9
357F40.3Very low42.3Very low190 Ų190136.5 Ų136.583%0.83380%0.799SS**  trans-112.5158.5-166.9-86.6-104.6000114.6
358F39.6Very low42.6Very low195 Ų195136.7 Ų136.786%0.85580%0.801SS**  trans62.5140.1164.2-73.6-70.9000116.2
359S33.3Very low42.5Very low92 Ų92134.6 Ų134.664%0.64380%0.797SS**  cis-161.7170.525.562.20000114.1
360Q38.5Very low42.3Very low189 Ų189137 Ų13788%0.88380%0.803SS**  trans77.4133.6159-68.1177.4-10.800121.2
361T37.2Very low42.4Very low120 Ų120137.9 Ų137.974%0.73680%0.801SS**  trans-105.7-177.1178.242.30000109.8I363T361-I363 HydrophobicContact CG2-CD1 4.41Å
362P55.3Low42.6Very low113 Ų113138.7 Ų138.773%0.73480%0.801SS**  cis-120.6152.36.534.1-14.7000115.1
363I44.2Very low42.8Very low129 Ų129137 Ų13766%0.66279%0.789SS**  58.6109.673.3-50.6169.3000114.6T361 L365T361-I363 HydrophobicContact CG2-CD1 4.41Å; I363-L365 HydrophobicContact CG2-CB 4.32Å
364I38Very low43.3Very low179 Ų179136.9 Ų136.992%0.91879%0.788SS**  trans-125.7149.7141.8-92.6-179.4000107.6
365L33.6Very low43.4Very low130 Ų130137.1 Ų137.168%0.68178%0.779SS**  trans-134.1110.1-151.8-17774.3000113.1I363I363-L365 HydrophobicContact CG2-CB 4.32Å
366T44.8Very low43.3Very low124 Ų124139.7 Ų139.776%0.76178%0.777SS**  trans62.1-177.1158.371.60000115.9
367P49.3Very low43.5Very low111 Ų111145.6 Ų145.672%0.72178%0.778SS**  cis-123.8165.6-15.526.5-6000114.7
368S43Very low43.2Very low122 Ų122140.6 Ų140.685%0.85377%0.767SS**  trans-84.4138.7158.9-52.50000111
369P43.3Very low43.3Very low124 Ų124138.4 Ų138.481%0.80577%0.769SS**  trans-114.4160.9146.135.5-28.7000111.5
370L47.6Very low43.8Very low168 Ų168141.4 Ų141.488%0.8878%0.777SS**  trans-94.6165.2-178.2-85.4158.3000112.7
371L44.2Very low43.9Very low161 Ų161137.5 Ų137.584%0.84377%0.771SS**  trans88.1140.1160.4-70.2162.6000121
372S41.8Very low44.5Very low115 Ų115137.8 Ų137.880%0.80478%0.775SS**  trans54.298.6158.455.20000119.7
373S37.4Very low43.8Very low84 Ų84139 Ų13959%0.58778%0.78SS**  trans-144.8119.1143.9179.60000110.3H375S373-H375 WeakPolarHBondContact CB-NE2 3.26Å; S373-H375 PolarHBondContact OG-CD2 2.94Å; S373-H375 VanDerWaalsContact OG-CD2 3.31Å; S373-H375 PolarHBondContact OG-CE1 3.21Å; S373-H375 PolarHBondContact OG-NE2 3.08Å
374I53.5Low44.1Very low163 Ų163137.1 Ų137.184%0.83678%0.784SS**  trans-89.3104.7173.9-64.3172.4000107.5F376I374-F376 VanDerWaalsContact C-N 3.27Å; I374-F376 PolarHBondContact O-N 3.39Å
375H53.3Low44.6Very low147 Ų147134.5 Ų134.568%0.68178%0.778SS**  trans-82.370.4-179.7-73.6-82.5000112.3S373 W377S373-H375 WeakPolarHBondContact CB-NE2 3.26Å; S373-H375 PolarHBondContact OG-CD2 2.94Å; S373-H375 VanDerWaalsContact OG-CD2 3.31Å; S373-H375 PolarHBondContact OG-CE1 3.21Å; S373-H375 PolarHBondContact OG-NE2 3.08Å; H375-W377 PolarHBondContact O-N 2.79Å
376F53.1Low45.2Very low177 Ų177136.4 Ų136.478%0.77679%0.788SS**  trans-79.588.2164-172.3-88.7000109I374I374-F376 VanDerWaalsContact C-N 3.27Å; I374-F376 PolarHBondContact O-N 3.39Å
377W41.4Very low45Very low225 Ų225136 Ų13685%0.85279%0.791SS**  trans-127.9117.6176.7-82.683.7000111.8H375H375-W377 PolarHBondContact O-N 2.79Å
378S35.9Very low44.7Very low84 Ų84137 Ų13759%0.58780%0.797SS**  trans-69.2131-175.4-50.90000112.9L380S378-L380 PolarHBondContact O-N 2.83Å
379T40.5Very low44.6Very low149 Ų149135.6 Ų135.691%0.91479%0.793SS**  trans-79.370.4165.840.20000111.4S381T379-S381 PolarHBondContact O-N 3.23Å; T379-S381 VanDerWaalsContact O-N 3.16Å
380L43.1Very low44.8Very low155 Ų155140.4 Ų140.481%0.81280%0.795SS**  trans-75.992.5171.1-76.1173.5000111.7S378S378-L380 PolarHBondContact O-N 2.83Å
381S41.1Very low44.6Very low108 Ų108140.3 Ų140.376%0.75580%0.795SS**  175.9149127.8-86.70000112.9T379T379-S381 PolarHBondContact O-N 3.23Å; T379-S381 VanDerWaalsContact O-N 3.16Å
382P49.8Very low45Very low125 Ų125141.6 Ų141.681%0.81280%0.796SS**  trans-87.2138.3174.434.8-32.4000112.2
383V42.1Very low44.8Very low139 Ų139139.7 Ų139.784%0.84280%0.795SS**  trans-125.4115.4156.9175.70000106.9
384A50.2Low45.4Very low89 Ų89139.8 Ų139.874%0.73680%0.801SS**PPolyproline II helixtrans-84.9126.2-179.900000110.6
385P48.2Very low45.3Very low124 Ų124139.2 Ų139.281%0.80580%0.8SS**PPolyproline II helixtrans-71.6133.9163.130.2-31.7000109.5
386L45.8Very low45.1Very low171 Ų171138.9 Ų138.990%0.89581%0.808SS**PPolyproline II helixtrans-65.3148.8176.7-72.5153.2000111.5
387S41Very low45.2Very low116 Ų116138.1 Ų138.181%0.81181%0.811SS**PPolyproline II helixtrans-60129.1-179.6-500000112.9
388P43.1Very low45.3Very low130 Ų130136.1 Ų136.184%0.84481%0.809SS**PPolyproline II helixtrans-64.3135.2159.6-19.533.2000110.2
389A39.5Very low45.8Very low94 Ų94140.9 Ų140.978%0.77782%0.822SS**PPolyproline II helixtrans-72.9153-179.700000112.7L391A389-L391 PolarHBondContact O-N 3.28Å
390R48.7Very low46.3Very low224 Ų224141.9 Ų141.985%0.84581%0.814SS**  trans-55.8114.4175.3179.4-171.2-169.790.5-6.8111.8
391L43.3Very low46.3Very low167 Ų167140.2 Ų140.287%0.87481%0.812SS**  trans-102.1137.5159-70.6177.7000109.8A389A389-L391 PolarHBondContact O-N 3.28Å
392Q51.6Low46.3Very low187 Ų187140.6 Ų140.687%0.87482%0.815SS**  trans-86.5116.9175.5-72.6167.7-107.900109.6
393G38.2Very low46Very low76 Ų76141.8 Ų141.878%0.78482%0.82SS**  trans-125134.4166.900000109.1
394A50.9Low46.1Very low86 Ų86142.9 Ų142.971%0.71182%0.82SS**  trans-80152.2-176.800000112.1
395N51.6Low45.5Very low151 Ų151144.7 Ų144.781%0.80782%0.817SS**  trans69.599.3170.6-46.2-60.1000116.4
396T47.5Very low44.9Very low140 Ų140144.1 Ų144.186%0.85982%0.816SS**  trans-158.6112.9134.40.30000111.8F398T396-F398 PolarHBondContact O-N 2.87Å
397L54.8Low44.7Very low160 Ų160143.8 Ų143.884%0.83881%0.81SS**  trans-48.3108.4176.5-174.9159.7000113.1
398F43.8Very low44.5Very low184 Ų184141.8 Ų141.881%0.80781%0.807SS**  trans-14384.4161.1-95.5-77.4000109.9T396T396-F398 PolarHBondContact O-N 2.87Å
399Q47.5Very low44.7Very low183 Ų183141.9 Ų141.986%0.85581%0.808SS**  trans-96.5110.9178.9-175.1171.1-400109.9
400F50.2Low44.9Very low171 Ų171146.5 Ų146.575%0.7581%0.811SS**  trans-74.3142.6173.1-71.9-91.9000110.7S402F400-S402 PolarHBondContact O-N 3.32Å; F400-S402 VanDerWaalsContact O-N 3.12Å
401P44.3Very low44.5Very low119 Ų119142.7 Ų142.777%0.77381%0.812SS**  trans-75.9100.1177.829.9-33.5000111.1V403P401-V403 PolarHBondContact O-N 3.12Å
402S40.7Very low44.6Very low117 Ų117142.3 Ų142.382%0.81881%0.81SS**  trans-68.3115.8169.4-62.90000110.6F400 L404F400-S402 PolarHBondContact O-N 3.32Å; F400-S402 VanDerWaalsContact O-N 3.12Å; S402-L404 PolarHBondContact O-N 3.23Å
403V43.3Very low44Very low150 Ų150139.5 Ų139.591%0.90981%0.812SS**  trans-76.8104.6174.1-173.30000108.8P401P401-V403 PolarHBondContact O-N 3.12Å
404L43.4Very low43.9Very low161 Ų161139.7 Ų139.784%0.84381%0.814SS**  trans-110.1125.7174.8-165.471.8000110.9S402S402-L404 PolarHBondContact O-N 3.23Å
405N37.9Very low43.5Very low128 Ų128144.1 Ų144.168%0.68482%0.824SS**  trans-71.5133.6174.2171.973000111.5H407N405-H407 PolarHBondContact ND2-NE2 3.18Å; N405-H407 VanDerWaalsContact ND2-NE2 3.18Å
406S36.8Very low43.1Very low112 Ų112144.6 Ų144.678%0.78383%0.827SS**  trans-152162.6162.8-162.80000110.9
407H40.8Very low42.6Very low164 Ų164140.3 Ų140.376%0.75981%0.811SS**  trans-109.1124.4-152.1-69.4-110.7000115.9N405N405-H407 PolarHBondContact ND2-NE2 3.18Å; N405-H407 VanDerWaalsContact ND2-NE2 3.18Å
408G37Very low42.4Very low73 Ų73138.9 Ų138.975%0.75381%0.811SS**  trans75.2179.915100000118.2
409P47.3Very low42.3Very low133 Ų133135.8 Ų135.886%0.86481%0.812SS**  cis-110.6-176.5-4.840.6-30.5000113.9
410F44Very low42.2Very low190 Ų190133.7 Ų133.783%0.83381%0.812SS**  trans-83.5149.8-179.3-67.1-105000113.7
411T38.9Very low42.2Very low144 Ų144131.2 Ų131.288%0.88381%0.813SS**  trans-133.3146144.549.10000109.7
412L46Very low42.1Very low159 Ų159128.1 Ų128.183%0.83280%0.803SS**  trans-102.5133.3-179.3-117.380.8000111.3
413S39.5Very low42.9Very low129 Ų129129 Ų12990%0.90281%0.805SS**  trans-144.8135.5150.7-69.40000106
414G35.7Very low42.7Very low80 Ų80131.4 Ų131.483%0.82580%0.804SS**  cis133.673.716.700000106.8
415L42.5Very low42.7Very low178 Ų178129.4 Ų129.493%0.93280%0.804SS**  trans-120114.9-166.8-179.173.9000110.3
416D42.8Very low43.7Very low162 Ų162129.3 Ų129.387%0.86681%0.81SS**  trans-154.5158.9168.2-172.544.8000111.2
417G37.2Very low43.7Very low50 Ų50130.9 Ų130.952%0.51581%0.809SS.*  trans71.389.4157.800000119.5
418P51Low44.1Very low130 Ų130128.7 Ų128.784%0.84480%0.803SS**  trans-85.4123.5163.933-30.2000111.9
419S41.2Very low44.7Very low118 Ų118133.5 Ų133.583%0.82581%0.806SS**  trans-130121.8177.5-74.10000112.6
420T46.3Very low44.6Very low139 Ų139136.2 Ų136.285%0.85380%0.804SS**PPolyproline II helixtrans-86.7130.8179.4-58.50000111.5
421P50.4Low44.7Very low119 Ų119137.3 Ų137.377%0.77383%0.827SS**PPolyproline II helixtrans-81121170.331.5-31.6000111.2
422G40.9Very low45Very low54 Ų54137 Ų13756%0.55782%0.824SS**PPolyproline II helixtrans-84.6155166.700000112.1
423P58.3Low44.9Very low135 Ų135135.8 Ų135.888%0.87782%0.823SS**PPolyproline II helixtrans-75.6134.817930.8-34.1000112
424F38.7Very low45.2Very low202 Ų202136.2 Ų136.289%0.88682%0.819SS**PPolyproline II helixtrans-90.6128.8169.9-84-91.1000111.1
425S43.2Very low45.8Very low119 Ų119139.5 Ų139.583%0.83282%0.819SS**PPolyproline II helixtrans-103.1127.4161.2-62.30000109.4
426P59.5Low46Very low125 Ų125137.1 Ų137.181%0.81281%0.812SS**PPolyproline II helixtrans-98.8135.4164.934.3-27.7000110.9
427D36.1Very low46.2Very low145 Ų145135.5 Ų135.578%0.77581%0.808SS**  trans-145.1157.4166.8-167.322.9000111.2
428L49.6Very low46.8Very low119 Ų119141.6 Ų141.662%0.62383%0.829SS**  trans50.992.7169.1-71.1172.5000120
429Q48.6Very low46.5Very low174 Ų174142.5 Ų142.581%0.81383%0.828SS**  64.2148.8114.5-69.9-178.41400123
430K45.5Very low46.9Very low189 Ų189144.5 Ų144.582%0.82283%0.828SS**  trans90.992.5140.4-162.9-178.5-177.4-179.10119.2
431T46.3Very low47Very low214 Ų214145 Ų145100%1.31383%0.826SS**  -143.30101.330.80000109.7

Retrieved 431 of 431 residues in 145.6 ms (Link to these results)

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