A0A096MYN2_PAPAN Loading...

Myosin light chain 1/3, skeletal muscle isoform

Non-regulatory myosin light chain required for proper formation and/or maintenance of myofibers, and thus appropriate muscle function.

AlphaFold DB (A0A2I3MBC2), UniProt , Accession A0A096MYN2, Species PAPAN (Papio anubis, Olive baboon), Gene MYL1, Length 150 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
1M56.8Low90.8Very high202 Ų20284.5 Ų84.5100%0.99549%0.485SS*.  0145.10-70.4172.2179.100107.3Q74M1-Q74 PolarHBondContact O-NE2 3.36Å; M1-Q74 PolarHBondContact O-OE1 3.03Å
2S81.7Confident91.3Very high111 Ų11185 Ų8578%0.77648%0.477SS*.PPolyproline II helixtrans-88.7142.4174.652.80000110.3
3F92.4Very high91.7Very high35 Ų3589.2 Ų89.215%0.15449%0.491CS..PPolyproline II helixtrans-64.6148.7173.4-58.3-62000112.1Q7 I8 F11 L70 M73 Q74F3-Q7 HydrophobicContact CB-CB 4.22Å; F3-I8 HydrophobicContact CB-CD1 4.33Å; F3-I8 HydrophobicContact CB-CG1 3.87Å; F3-F11 HydrophobicContact CB-CE2 4.35Å; F3-F11 AromaticContact CD1-CE2 3.64Å; F3-F11 HydrophobicContact CD1-CE2 3.64Å; F3-F11 HydrophobicContact CD1-CZ 4.04Å; F3-F11 HydrophobicContact CD2-CD2 4.43Å; F3-F11 AromaticContact CD2-CE2 3.81Å; F3-F11 HydrophobicContact CD2-CE2 3.81Å; F3-F11 AromaticContact CE1-CE2 3.75Å; F3-F11 HydrophobicContact CE1-CE2 3.75Å; F3-F11 HydrophobicContact CE1-CZ 4Å; F3-F11 AromaticContact CE2-CE2 3.9Å; F3-F11 HydrophobicContact CE2-CE2 3.9Å; F3-F11 AromaticContact CG-CE2 3.68Å; F3-F11 HydrophobicContact CG-CE2 3.68Å; F3-F11 HydrophobicContact CG-CZ 4.49Å; F3-F11 AromaticContact CZ-CE2 3.87Å; F3-F11 HydrophobicContact CZ-CE2 3.87Å; F3-F11 HydrophobicContact CZ-CZ 4.42Å; F3-L70 HydrophobicContact CD2-CD1 3.91Å; F3-L70 HydrophobicContact CE2-CD1 4.26Å; F3-M73 HydrophobicContact CE2-CB 4.5Å; F3-M73 HydrophobicContact CE2-CG 4.08Å; F3-M73 HydrophobicContact CZ-CG 3.97Å; F3-Q74 HydrophobicContact CE2-CB 3.77Å; F3-Q74 HydrophobicContact CE2-CG 4.3Å; F3-Q74 VanDerWaalsContact CE2-OE1 3.3Å; F3-Q74 HydrophobicContact CZ-CB 4.36Å
4S95.3Very high92Very high54 Ų5484.1 Ų84.138%0.37847%0.466SS..PPolyproline II helixtrans-72.1163.4170.9640000111.6D6 Q7 I8S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 3.45Å; S4-Q7 PolarHBondContact O-N 3.29Å; S4-Q7 VanDerWaalsContact OG-CG 3.28Å; S4-Q7 WeakPolarHBondContact OG-CG 3.41Å; S4-Q7 PolarHBondContact OG-N 2.94Å; S4-Q7 PolarHBondContact OG-OE1 3.32Å; S4-I8 VanDerWaalsContact O-CG1 3.3Å; S4-I8 WeakPolarHBondContact O-CG1 3.28Å; S4-I8 PolarHBondContact O-N 2.89Å
5A95.6Very high92.3Very high78 Ų7878.5 Ų78.565%0.64544%0.435SS*.Hα-helixtrans-59.8-39.3177.300000112.2I8 A9A5-I8 PolarHBondContact O-N 3.33Å; A5-A9 PolarHBondContact O-N 3.2Å
6D96Very high92.6Very high133 Ų13378.1 Ų78.171%0.71143%0.431SS*.Hα-helixtrans-65.9-43.1179.1-61.2-21.6000111.3S4 I8 A9 E10S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 3.45Å; D6-I8 VanDerWaalsContact C-N 3.34Å; D6-I8 PolarHBondContact O-N 3.38Å; D6-A9 WeakPolarHBondContact O-CB 3.36Å; D6-A9 PolarHBondContact O-N 2.96Å; D6-E10 PolarHBondContact O-N 3.25Å
7Q95.3Very high92.8Very high79 Ų7982.2 Ų82.237%0.36945%0.452SS..Hα-helixtrans-62.3-41174-73.5171.7-56.500112F3 S4 A9 E10 F11F3-Q7 HydrophobicContact CB-CB 4.22Å; S4-Q7 PolarHBondContact O-N 3.29Å; S4-Q7 VanDerWaalsContact OG-CG 3.28Å; S4-Q7 WeakPolarHBondContact OG-CG 3.41Å; S4-Q7 PolarHBondContact OG-N 2.94Å; S4-Q7 PolarHBondContact OG-OE1 3.32Å; Q7-A9 VanDerWaalsContact C-N 3.28Å; Q7-A9 PolarHBondContact O-N 3.44Å; Q7-E10 PolarHBondContact O-N 3.35Å; Q7-F11 HydrophobicContact CB-CE2 4.29Å; Q7-F11 HydrophobicContact CB-CZ 4.17Å; Q7-F11 WeakPolarHBondContact O-CB 3.45Å; Q7-F11 VanDerWaalsContact O-CD1 3.27Å; Q7-F11 WeakPolarHBondContact O-CD1 3.28Å; Q7-F11 WeakPolarHBondContact O-CD2 3.44Å; Q7-F11 WeakPolarHBondContact O-CG 3.49Å; Q7-F11 PolarHBondContact O-N 2.92Å
8I96.6Very high92.9Very high54 Ų5480.6 Ų80.628%0.27744%0.439SS..Hα-helixtrans-63.8-38.2177.2-67.4167.2000110.6F3 S4 A5 D6 K12 F66 L70F3-I8 HydrophobicContact CB-CD1 4.33Å; F3-I8 HydrophobicContact CB-CG1 3.87Å; S4-I8 VanDerWaalsContact O-CG1 3.3Å; S4-I8 WeakPolarHBondContact O-CG1 3.28Å; S4-I8 PolarHBondContact O-N 2.89Å; A5-I8 PolarHBondContact O-N 3.33Å; D6-I8 VanDerWaalsContact C-N 3.34Å; D6-I8 PolarHBondContact O-N 3.38Å; I8-K12 WeakPolarHBondContact O-CB 3.27Å; I8-K12 PolarHBondContact O-N 3.11Å; I8-F66 HydrophobicContact CG2-CE1 3.85Å; I8-F66 HydrophobicContact CG2-CZ 4.05Å; I8-F66 WeakPolarHBondContact O-CZ 3.41Å; I8-L70 HydrophobicContact CD1-CD2 4.36Å; I8-L70 HydrophobicContact CG1-CD1 4.3Å; I8-L70 HydrophobicContact CG1-CD2 4.34Å; I8-L70 HydrophobicContact CG2-CD2 4.46Å
9A96.3Very high92.9Very high49 Ų4977.6 Ų77.641%0.40542%0.423SS..Hα-helixtrans-64.3-47.1175.500000111.4A5 D6 Q7 F11 K12 E13A5-A9 PolarHBondContact O-N 3.2Å; D6-A9 WeakPolarHBondContact O-CB 3.36Å; D6-A9 PolarHBondContact O-N 2.96Å; Q7-A9 VanDerWaalsContact C-N 3.28Å; Q7-A9 PolarHBondContact O-N 3.44Å; A9-F11 PolarHBondContact O-N 3.38Å; A9-K12 WeakPolarHBondContact O-CB 3.04Å; A9-K12 PolarHBondContact O-N 3Å; A9-K12 VanDerWaalsContact O-N 3.11Å; A9-E13 WeakPolarHBondContact O-CG 3.45Å; A9-E13 PolarHBondContact O-N 3.01Å
10E96.1Very high92.8Very high120 Ų12084.9 Ų84.956%0.56144%0.444SS*.Hα-helixtrans-58.9-44.6175.8-176.4178-168.200111.9D6 Q7 K12 E13 A14D6-E10 PolarHBondContact O-N 3.25Å; Q7-E10 PolarHBondContact O-N 3.35Å; E10-K12 VanDerWaalsContact C-N 3.27Å; E10-K12 PolarHBondContact O-N 3.34Å; E10-E13 PolarHBondContact O-N 2.95Å; E10-A14 PolarHBondContact O-N 2.98Å
11F97.1Very high92.7Very high15 Ų1585.2 Ų85.27%0.06645%0.45CS..Hα-helixtrans-62.1-37176.2-61.4-14.3000112.1F3 Q7 A9 F15 L38 F66 L70 M73F3-F11 HydrophobicContact CB-CE2 4.35Å; F3-F11 AromaticContact CD1-CE2 3.64Å; F3-F11 HydrophobicContact CD1-CE2 3.64Å; F3-F11 HydrophobicContact CD1-CZ 4.04Å; F3-F11 HydrophobicContact CD2-CD2 4.43Å; F3-F11 AromaticContact CD2-CE2 3.81Å; F3-F11 HydrophobicContact CD2-CE2 3.81Å; F3-F11 AromaticContact CE1-CE2 3.75Å; F3-F11 HydrophobicContact CE1-CE2 3.75Å; F3-F11 HydrophobicContact CE1-CZ 4Å; F3-F11 AromaticContact CE2-CE2 3.9Å; F3-F11 HydrophobicContact CE2-CE2 3.9Å; F3-F11 AromaticContact CG-CE2 3.68Å; F3-F11 HydrophobicContact CG-CE2 3.68Å; F3-F11 HydrophobicContact CG-CZ 4.49Å; F3-F11 AromaticContact CZ-CE2 3.87Å; F3-F11 HydrophobicContact CZ-CE2 3.87Å; F3-F11 HydrophobicContact CZ-CZ 4.42Å; Q7-F11 HydrophobicContact CB-CE2 4.29Å; Q7-F11 HydrophobicContact CB-CZ 4.17Å; Q7-F11 WeakPolarHBondContact O-CB 3.45Å; Q7-F11 VanDerWaalsContact O-CD1 3.27Å; Q7-F11 WeakPolarHBondContact O-CD1 3.28Å; Q7-F11 WeakPolarHBondContact O-CD2 3.44Å; Q7-F11 WeakPolarHBondContact O-CG 3.49Å; Q7-F11 PolarHBondContact O-N 2.92Å; A9-F11 PolarHBondContact O-N 3.38Å; F11-F15 VanDerWaalsContact O-CB 3.24Å; F11-F15 WeakPolarHBondContact O-CB 3.3Å; F11-F15 PolarHBondContact O-N 2.83Å; F11-L38 HydrophobicContact CB-CD1 4.04Å; F11-L38 HydrophobicContact CD1-CD1 3.75Å; F11-L38 HydrophobicContact CD1-CD2 3.63Å; F11-L38 HydrophobicContact CD1-CG 4.2Å; F11-L38 HydrophobicContact CE1-CD1 4.46Å; F11-L38 HydrophobicContact CE1-CD2 4.25Å; F11-L38 HydrophobicContact CG-CD1 4Å; F11-F66 HydrophobicContact CB-CE2 3.91Å; F11-F66 HydrophobicContact CB-CZ 4.01Å; F11-L70 HydrophobicContact CD2-CD1 4.08Å; F11-M73 HydrophobicContact CD1-CE 4.44Å; F11-M73 HydrophobicContact CD2-CG 4.13Å; F11-M73 HydrophobicContact CE1-CE 3.83Å; F11-M73 HydrophobicContact CE2-CE 4.12Å; F11-M73 HydrophobicContact CE2-CG 3.98Å; F11-M73 HydrophobicContact CZ-CE 3.64Å; F11-M73 HydrophobicContact CZ-CG 4.47Å
12K96.9Very high94.3Very high90 Ų9078.8 Ų78.839%0.39144%0.435SS..Hα-helixtrans-69.2-41.8177.4-171.8169-176.8164.50111.5I8 A9 E10 F15 L16 F66I8-K12 WeakPolarHBondContact O-CB 3.27Å; I8-K12 PolarHBondContact O-N 3.11Å; A9-K12 WeakPolarHBondContact O-CB 3.04Å; A9-K12 PolarHBondContact O-N 3Å; A9-K12 VanDerWaalsContact O-N 3.11Å; E10-K12 VanDerWaalsContact C-N 3.27Å; E10-K12 PolarHBondContact O-N 3.34Å; K12-F15 PolarHBondContact O-N 3.44Å; K12-L16 HydrophobicContact CG-CD1 4.27Å; K12-L16 VanDerWaalsContact O-CG 3.28Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 2.93Å; K12-F66 VanDerWaalsContact CA-CE2 3.42Å; K12-F66 HydrophobicContact CB-CD1 4.24Å; K12-F66 HydrophobicContact CB-CD2 4.15Å; K12-F66 HydrophobicContact CB-CE1 3.92Å; K12-F66 HydrophobicContact CB-CE2 3.84Å; K12-F66 HydrophobicContact CB-CG 4.34Å; K12-F66 HydrophobicContact CB-CZ 3.7Å; K12-F66 HydrophobicContact CD-CD1 4.09Å; K12-F66 HydrophobicContact CD-CE1 4.3Å; K12-F66 HydrophobicContact CD-CG 4.48Å; K12-F66 HydrophobicContact CG-CD1 4.14Å; K12-F66 HydrophobicContact CG-CD2 4.28Å; K12-F66 HydrophobicContact CG-CE1 4.31Å; K12-F66 HydrophobicContact CG-CE2 4.46Å; K12-F66 HydrophobicContact CG-CG 4.11Å; K12-F66 HydrophobicContact CG-CZ 4.46Å
13E95.8Very high95Very high140 Ų14076.9 Ų76.965%0.65442%0.416SS*.Hα-helixtrans-60.5-49.1175.2-72.4-179-178.700110.9A9 E10 F15 L16 L17A9-E13 WeakPolarHBondContact O-CG 3.45Å; A9-E13 PolarHBondContact O-N 3.01Å; E10-E13 PolarHBondContact O-N 2.95Å; E13-F15 PolarHBondContact O-N 3.5Å; E13-L16 PolarHBondContact O-N 2.82Å; E13-L17 PolarHBondContact O-N 3.19Å
14A95.6Very high95.2Very high18 Ų1878.4 Ų78.415%0.14943%0.431CS..Hα-helixtrans-60-44.517600000112.2E10 L16 L17 F18 L38E10-A14 PolarHBondContact O-N 2.98Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.96Å; A14-L17 WeakPolarHBondContact O-CB 3.39Å; A14-L17 PolarHBondContact O-N 3.27Å; A14-L17 VanDerWaalsContact O-N 3.14Å; A14-F18 WeakPolarHBondContact O-CD2 3.42Å; A14-L38 HydrophobicContact CB-CD2 3.44Å; A14-L38 VanDerWaalsContact CB-CD2 3.44Å; A14-L38 HydrophobicContact CB-CG 4.07Å
15F97.3Very high95.3Very high0 Ų078.9 Ų78.90%043%0.427CS..Hα-helixtrans-56.4-43.1176.4178.4-83.5000112F11 K12 E13 L17 F18 I26 I64 F66 F69F11-F15 VanDerWaalsContact O-CB 3.24Å; F11-F15 WeakPolarHBondContact O-CB 3.3Å; F11-F15 PolarHBondContact O-N 2.83Å; K12-F15 PolarHBondContact O-N 3.44Å; E13-F15 PolarHBondContact O-N 3.5Å; F15-L17 VanDerWaalsContact C-N 3.3Å; F15-L17 PolarHBondContact O-N 3.24Å; F15-F18 PolarHBondContact O-N 3.17Å; F15-F18 VanDerWaalsContact O-N 3.16Å; F15-I26 HydrophobicContact CD1-CG2 4.39Å; F15-I26 HydrophobicContact CD2-CD1 3.69Å; F15-I26 HydrophobicContact CD2-CG1 4.26Å; F15-I26 HydrophobicContact CD2-CG2 4.47Å; F15-I26 HydrophobicContact CE1-CG2 4.04Å; F15-I26 HydrophobicContact CE2-CB 4.38Å; F15-I26 HydrophobicContact CE2-CD1 3.34Å; F15-I26 HydrophobicContact CE2-CG1 3.47Å; F15-I26 VanDerWaalsContact CE2-CG1 3.47Å; F15-I26 HydrophobicContact CE2-CG2 4.15Å; F15-I26 HydrophobicContact CZ-CB 4.25Å; F15-I26 HydrophobicContact CZ-CD1 4.07Å; F15-I26 HydrophobicContact CZ-CG1 3.69Å; F15-I26 HydrophobicContact CZ-CG2 3.92Å; F15-I64 WeakPolarHBondContact CZ-O 3.11Å; F15-F66 HydrophobicContact CB-CD2 3.86Å; F15-F66 HydrophobicContact CB-CE2 4.36Å; F15-F66 HydrophobicContact CD1-CB 4.2Å; F15-F66 HydrophobicContact CD1-CD2 4.34Å; F15-F66 HydrophobicContact CD2-CD2 4.12Å; F15-F66 HydrophobicContact CE1-CB 4.21Å; F15-F66 HydrophobicContact CG-CB 4.47Å; F15-F66 AromaticContact CG-CD2 3.87Å; F15-F66 HydrophobicContact CG-CD2 3.87Å; F15-F66 HydrophobicContact CZ-CB 4.45Å; F15-F69 HydrophobicContact CD2-CB 4Å; F15-F69 HydrophobicContact CD2-CD1 4.06Å; F15-F69 HydrophobicContact CD2-CD2 4.31Å; F15-F69 AromaticContact CD2-CG 3.86Å; F15-F69 HydrophobicContact CD2-CG 3.86Å; F15-F69 HydrophobicContact CE2-CB 3.76Å; F15-F69 HydrophobicContact CE2-CD2 4.48Å; F15-F69 HydrophobicContact CE2-CG 4.08Å
16L96.4Very high95.4Very high71 Ų7175.2 Ų75.237%0.37240%0.396SS..Hα-helixtrans-70.6-22.6-179.7-69.1173.9000113.2K12 E13 A14 F18 D19K12-L16 HydrophobicContact CG-CD1 4.27Å; K12-L16 VanDerWaalsContact O-CG 3.28Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 2.93Å; E13-L16 PolarHBondContact O-N 2.82Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.96Å; L16-F18 PolarHBondContact O-N 3.41Å; L16-D19 PolarHBondContact O-N 3.14Å
17L95.7Very high95.4Very high148 Ų14870 Ų7078%0.77537%0.369SS*.Hα-helixtrans-64-22.8171.4-65.1176.5000112.8E13 A14 F15E13-L17 PolarHBondContact O-N 3.19Å; A14-L17 WeakPolarHBondContact O-CB 3.39Å; A14-L17 PolarHBondContact O-N 3.27Å; A14-L17 VanDerWaalsContact O-N 3.14Å; F15-L17 VanDerWaalsContact C-N 3.3Å; F15-L17 PolarHBondContact O-N 3.24Å
18F94.8Very high95.5Very high53 Ų5367 Ų6723%0.23236%0.355CS..THydrogen-bonded Turntrans-94.2-9.5178.9-73.4-104.7000113.3A14 F15 L16 R20 I26 Q30 D33 V34 A37A14-F18 WeakPolarHBondContact O-CD2 3.42Å; F15-F18 PolarHBondContact O-N 3.17Å; F15-F18 VanDerWaalsContact O-N 3.16Å; L16-F18 PolarHBondContact O-N 3.41Å; F18-R20 PolarHBondContact O-N 3.44Å; F18-R20 VanDerWaalsContact O-N 3.15Å; F18-I26 HydrophobicContact CB-CG2 3.93Å; F18-Q30 PolarHBondContact O-NE2 3.34Å; F18-D33 HydrophobicContact CD1-CB 4.47Å; F18-D33 HydrophobicContact CE1-CB 3.69Å; F18-D33 HydrophobicContact CZ-CB 4.33Å; F18-V34 HydrophobicContact CB-CG2 3.88Å; F18-V34 HydrophobicContact CD1-CG2 3.87Å; F18-V34 HydrophobicContact CD2-CG2 3.64Å; F18-V34 HydrophobicContact CE1-CG2 4.28Å; F18-V34 HydrophobicContact CE2-CG2 4.05Å; F18-V34 HydrophobicContact CG-CG2 3.52Å; F18-V34 HydrophobicContact CZ-CG2 4.36Å; F18-A37 HydrophobicContact CE2-CB 4.02Å; F18-A37 HydrophobicContact CZ-CB 3.98Å
19D94.1Very high95.5Very high24 Ų2466.7 Ų66.713%0.12836%0.358CS..  trans-73.3103.9172.8175.511.9000110.3L16 T21 G22 D23 S24L16-D19 PolarHBondContact O-N 3.14Å; D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 WeakPolarHBondContact OD1-CA 3.34Å; D19-T21 PolarHBondContact OD1-N 3.21Å; D19-T21 PolarHBondContact OD1-OG1 3.01Å; D19-G22 VanDerWaalsContact CG-N 3.27Å; D19-G22 PolarHBondContact OD1-N 3.45Å; D19-G22 WeakPolarHBondContact OD2-CA 3.45Å; D19-G22 PolarHBondContact OD2-N 3.09Å; D19-D23 PolarHBondContact OD2-N 2.75Å; D19-S24 VanDerWaalsContact OD2-CA 3.31Å; D19-S24 WeakPolarHBondContact OD2-CA 3.31Å; D19-S24 PolarHBondContact OD2-N 3.16Å
20R89.8Confident95.5Very high224 Ų22465.3 Ų65.385%0.84534%0.343SS*.SBendtrans-82.4-8.9179.6-62.6-179.7-179.7174.21.1113.5F18F18-R20 PolarHBondContact O-N 3.44Å; F18-R20 VanDerWaalsContact O-N 3.15Å
21T90.3Very high95.6Very high92 Ų9259.6 Ų59.656%0.56432%0.317SS*.SBendtrans-114.3-14.6-169.941.10000113.9D19 D23 K63D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 WeakPolarHBondContact OD1-CA 3.34Å; D19-T21 PolarHBondContact OD1-N 3.21Å; D19-T21 PolarHBondContact OD1-OG1 3.01Å; T21-D23 VanDerWaalsContact C-N 3.28Å; T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD1 2.73Å; T21-K63 PolarHBondContact OG1-NZ 3.32Å
22G92.2Very high95.6Very high66 Ų6659.1 Ų59.168%0.6832%0.316SS*.SBendtrans73.816.2-17800000113.9D19D19-G22 VanDerWaalsContact CG-N 3.27Å; D19-G22 PolarHBondContact OD1-N 3.45Å; D19-G22 WeakPolarHBondContact OD2-CA 3.45Å; D19-G22 PolarHBondContact OD2-N 3.09Å
23D95.6Very high95.5Very high72 Ų7258.9 Ų58.939%0.38532%0.319SS..SBendtrans-94.69.6178.669.6-9.4000113.3D19 T21 K25 K63D19-D23 PolarHBondContact OD2-N 2.75Å; T21-D23 VanDerWaalsContact C-N 3.28Å; T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD1 2.73Å; D23-K25 VanDerWaalsContact C-N 3.26Å; D23-K25 PolarHBondContact O-N 3Å; D23-K25 WeakPolarHBondContact OD1-CB 3.25Å; D23-K25 PolarHBondContact OD1-N 3.22Å; D23-K63 VanDerWaalsContact CG-NZ 3.28Å; D23-K63 IonicContact OD1-NZ 3.51Å; D23-K63 PolarHBondContact OD1-NZ 2.7Å; D23-K63 VanDerWaalsContact OD1-NZ 3.09Å; D23-K63 IonicContact OD2-NZ 3.69Å; D23-K63 PolarHBondContact OD2-NZ 2.97Å
24S96.3Very high95.6Very high67 Ų6752.2 Ų52.247%0.46929%0.288SS..SBendtrans59.533.5-175.8-56.70000113.4D19D19-S24 VanDerWaalsContact OD2-CA 3.31Å; D19-S24 WeakPolarHBondContact OD2-CA 3.31Å; D19-S24 PolarHBondContact OD2-N 3.16Å
25K97.4Very high95.7Very high64 Ų6451.3 Ų51.328%0.27828%0.281SS..EExtended strand (participates in β ladder)trans-136150.8-180-58179.9-172.9-1500111.9D23 K63 I64 E65D23-K25 VanDerWaalsContact C-N 3.26Å; D23-K25 PolarHBondContact O-N 3Å; D23-K25 WeakPolarHBondContact OD1-CB 3.25Å; D23-K25 PolarHBondContact OD1-N 3.22Å; K25-K63 HydrophobicContact CB-CB 4.01Å; K25-K63 HydrophobicContact CB-CD 3.89Å; K25-K63 HydrophobicContact CD-CB 4.32Å; K25-I64 VanDerWaalsContact CA-O 3.25Å; K25-I64 WeakPolarHBondContact CA-O 3.36Å; K25-I64 WeakPolarHBondContact CB-O 3.37Å; K25-E65 HydrophobicContact CD-CG 4.13Å; K25-E65 WeakPolarHBondContact CE-OE1 3.4Å; K25-E65 HydrophobicContact CG-CG 3.87Å; K25-E65 IonicContact NZ-OE1 3.61Å; K25-E65 PolarHBondContact NZ-OE1 3.49Å
26I97.4Very high95.6Very high0 Ų055.4 Ų55.40%030%0.296CS..EExtended strand (participates in β ladder)trans-121.5155.6172.469.8177.8000110F15 F18 Q30 V31 V34 K63 I64F15-I26 HydrophobicContact CD1-CG2 4.39Å; F15-I26 HydrophobicContact CD2-CD1 3.69Å; F15-I26 HydrophobicContact CD2-CG1 4.26Å; F15-I26 HydrophobicContact CD2-CG2 4.47Å; F15-I26 HydrophobicContact CE1-CG2 4.04Å; F15-I26 HydrophobicContact CE2-CB 4.38Å; F15-I26 HydrophobicContact CE2-CD1 3.34Å; F15-I26 HydrophobicContact CE2-CG1 3.47Å; F15-I26 VanDerWaalsContact CE2-CG1 3.47Å; F15-I26 HydrophobicContact CE2-CG2 4.15Å; F15-I26 HydrophobicContact CZ-CB 4.25Å; F15-I26 HydrophobicContact CZ-CD1 4.07Å; F15-I26 HydrophobicContact CZ-CG1 3.69Å; F15-I26 HydrophobicContact CZ-CG2 3.92Å; F18-I26 HydrophobicContact CB-CG2 3.93Å; I26-Q30 HydrophobicContact CB-CB 4.21Å; I26-Q30 HydrophobicContact CD1-CB 4.37Å; I26-V31 HydrophobicContact CD1-CG2 4.04Å; I26-V31 HydrophobicContact CG1-CG2 4.48Å; I26-V34 HydrophobicContact CD1-CG2 3.72Å; I26-K63 CarbonylContact O-C 3.59Å; I26-K63 WeakPolarHBondContact O-CA 3.17Å; I26-I64 HydrophobicContact CG1-CG1 3.97Å; I26-I64 PolarHBondContact N-O 3.23Å; I26-I64 PolarHBondContact O-N 3.28Å
27T97.1Very high95.5Very high25 Ų2555.1 Ų55.115%0.15330%0.304CS..EExtended strand (participates in β ladder)trans-72154.4172.158.70000110.8S29 Q30 K62 K63T27-S29 PolarHBondContact O-N 2.96Å; T27-S29 PolarHBondContact OG1-OG 3.01Å; T27-Q30 WeakPolarHBondContact O-CB 3.14Å; T27-Q30 PolarHBondContact O-N 3.36Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.41Å; T27-Q30 PolarHBondContact OG1-OE1 3.19Å; T27-K62 WeakPolarHBondContact CA-O 3.19Å; T27-K63 HydrophobicContact CG2-CG 4.15Å
28L97.3Very high95.5Very high14 Ų1449.4 Ų49.47%0.07327%0.274CS..G310 helixtrans-56.9-33.3175.1-66.5179.7000112Q30 V31 L51 P54 L59 K62 I64L28-Q30 PolarHBondContact O-N 3.4Å; L28-V31 WeakPolarHBondContact O-CB 3.24Å; L28-V31 PolarHBondContact O-N 2.92Å; L28-L51 HydrophobicContact CB-CD1 4.47Å; L28-L51 HydrophobicContact CB-CD2 4.39Å; L28-L51 HydrophobicContact CD2-CD2 3.64Å; L28-P54 HydrophobicContact CD1-CB 4.04Å; L28-P54 HydrophobicContact CD1-CG 4.23Å; L28-L59 HydrophobicContact CB-CD2 3.93Å; L28-K62 HydrophobicContact CD1-CB 3.74Å; L28-K62 HydrophobicContact CD1-CD 4.25Å; L28-K62 HydrophobicContact CG-CB 4Å; L28-K62 PolarHBondContact N-O 3.25Å; L28-I64 HydrophobicContact CD2-CG2 3.42Å; L28-I64 VanDerWaalsContact CD2-CG2 3.42Å; L28-I64 HydrophobicContact CG-CG2 4.5Å
29S96.1Very high95.3Very high49 Ų4950 Ų5034%0.34330%0.295SS..G310 helixtrans-61.8-26175.355.60000114.1T27 L59T27-S29 PolarHBondContact O-N 2.96Å; T27-S29 PolarHBondContact OG1-OG 3.01Å; S29-L59 WeakPolarHBondContact CB-O 3.49Å; S29-L59 PolarHBondContact N-O 3.36Å; S29-L59 PolarHBondContact OG-O 3.43Å
30Q96.9Very high95.3Very high20 Ų2049.4 Ų49.49%0.09329%0.292CS..G310 helixtrans-83.5-14.8179.3-67.8174.5-70.300113.1F18 I26 T27 L28 G32 D33 V34F18-Q30 PolarHBondContact O-NE2 3.34Å; I26-Q30 HydrophobicContact CB-CB 4.21Å; I26-Q30 HydrophobicContact CD1-CB 4.37Å; T27-Q30 WeakPolarHBondContact O-CB 3.14Å; T27-Q30 PolarHBondContact O-N 3.36Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.41Å; T27-Q30 PolarHBondContact OG1-OE1 3.19Å; L28-Q30 PolarHBondContact O-N 3.4Å; Q30-G32 VanDerWaalsContact C-N 3.31Å; Q30-G32 PolarHBondContact O-N 3Å; Q30-D33 PolarHBondContact O-N 2.93Å; Q30-D33 VanDerWaalsContact O-N 3.11Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 2.74Å; Q30-V34 VanDerWaalsContact O-N 3.09Å
31V97.4Very high95.5Very high0 Ų043.8 Ų43.80%028%0.279CS..Hα-helixtrans-60.5-40-173.1173.80000112.2I26 L28 D33 V34 L35 L51 I64 F69 M72I26-V31 HydrophobicContact CD1-CG2 4.04Å; I26-V31 HydrophobicContact CG1-CG2 4.48Å; L28-V31 WeakPolarHBondContact O-CB 3.24Å; L28-V31 PolarHBondContact O-N 2.92Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.15Å; V31-V34 PolarHBondContact O-N 2.88Å; V31-L35 HydrophobicContact CG1-CD1 3.86Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 3.01Å; V31-L51 HydrophobicContact CB-CD2 3.99Å; V31-L51 HydrophobicContact CG1-CD2 4.02Å; V31-L51 HydrophobicContact CG2-CD2 3.83Å; V31-I64 HydrophobicContact CG2-CD1 3.54Å; V31-I64 HydrophobicContact CG2-CG1 4.33Å; V31-F69 HydrophobicContact CG1-CD2 4.06Å; V31-F69 HydrophobicContact CG1-CE2 4.06Å; V31-M72 HydrophobicContact CG1-SD 4.19Å
32G96.8Very high95.7Very high5 Ų539.8 Ų39.85%0.05225%0.254CS..Hα-helixtrans-60.7-40.2177.300000112.6Q30 L35 R36Q30-G32 VanDerWaalsContact C-N 3.31Å; Q30-G32 PolarHBondContact O-N 3Å; G32-L35 PolarHBondContact O-N 3.22Å; G32-R36 WeakPolarHBondContact O-CG 3.37Å; G32-R36 PolarHBondContact O-N 3.06Å; G32-R36 VanDerWaalsContact O-N 3.1Å
33D95.9Very high95.9Very high84 Ų8439.4 Ų39.445%0.44924%0.239SC..Hα-helixtrans-70.7-39.2179.9-57.7-26.4000111.4F18 Q30 V31 R36 A37F18-D33 HydrophobicContact CD1-CB 4.47Å; F18-D33 HydrophobicContact CE1-CB 3.69Å; F18-D33 HydrophobicContact CZ-CB 4.33Å; Q30-D33 PolarHBondContact O-N 2.93Å; Q30-D33 VanDerWaalsContact O-N 3.11Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.15Å; D33-R36 PolarHBondContact O-N 3.33Å; D33-R36 IonicContact OD1-NH1 2.66Å; D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 2.85Å
34V97.3Very high95.9Very high0 Ų039.7 Ų39.70%024%0.24CC..Hα-helixtrans-64.5-42.7175.4-178.10000111.1F18 I26 Q30 V31 R36 A37 L38 F69F18-V34 HydrophobicContact CB-CG2 3.88Å; F18-V34 HydrophobicContact CD1-CG2 3.87Å; F18-V34 HydrophobicContact CD2-CG2 3.64Å; F18-V34 HydrophobicContact CE1-CG2 4.28Å; F18-V34 HydrophobicContact CE2-CG2 4.05Å; F18-V34 HydrophobicContact CG-CG2 3.52Å; F18-V34 HydrophobicContact CZ-CG2 4.36Å; I26-V34 HydrophobicContact CD1-CG2 3.72Å; Q30-V34 WeakPolarHBondContact O-CG2 3.47Å; Q30-V34 PolarHBondContact O-N 2.74Å; Q30-V34 VanDerWaalsContact O-N 3.09Å; V31-V34 PolarHBondContact O-N 2.88Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 2.86Å; V34-A37 PolarHBondContact O-N 3.47Å; V34-L38 HydrophobicContact CG1-CD1 4.17Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 2.98Å; V34-F69 HydrophobicContact CB-CE2 4.07Å; V34-F69 HydrophobicContact CB-CZ 4.21Å; V34-F69 HydrophobicContact CG1-CE1 4.19Å; V34-F69 HydrophobicContact CG1-CE2 3.84Å; V34-F69 HydrophobicContact CG1-CZ 3.54Å
35L96.8Very high95.8Very high0 Ų039.3 Ų39.30%024%0.241CC..Hα-helixtrans-58.8-42.5175.5-72.3167000111.4V31 G32 L38 T40 P42 V47 F69 M73 I76V31-L35 HydrophobicContact CG1-CD1 3.86Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 3.01Å; G32-L35 PolarHBondContact O-N 3.22Å; L35-L38 PolarHBondContact O-N 3.41Å; L35-T40 PolarHBondContact O-N 3.09Å; L35-T40 PolarHBondContact O-OG1 3.21Å; L35-P42 HydrophobicContact CB-CG 4.05Å; L35-P42 HydrophobicContact CD1-CG 4.24Å; L35-V47 HydrophobicContact CD1-CG2 4.08Å; L35-F69 HydrophobicContact CD2-CE2 3.95Å; L35-F69 HydrophobicContact CD2-CZ 3.92Å; L35-F69 HydrophobicContact CG-CE2 4Å; L35-F69 HydrophobicContact CG-CZ 4.31Å; L35-M73 HydrophobicContact CD2-CB 4.18Å; L35-M73 HydrophobicContact CD2-SD 3.64Å; L35-I76 HydrophobicContact CD1-CG1 4.05Å; L35-I76 HydrophobicContact CD2-CB 4.37Å; L35-I76 HydrophobicContact CD2-CG1 4.31Å
36R95.3Very high95.7Very high86 Ų8638.6 Ų38.633%0.32524%0.239SC..Hα-helixtrans-69.5-40.1177.4-68.9176.4-168.1118.1-0.7112.9G32 D33 V34 L38 G39 T40 P42 N44G32-R36 WeakPolarHBondContact O-CG 3.37Å; G32-R36 PolarHBondContact O-N 3.06Å; G32-R36 VanDerWaalsContact O-N 3.1Å; D33-R36 PolarHBondContact O-N 3.33Å; D33-R36 IonicContact OD1-NH1 2.66Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 2.86Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-G39 PolarHBondContact O-N 3.36Å; R36-T40 VanDerWaalsContact CA-O 3.28Å; R36-T40 WeakPolarHBondContact CA-O 3.26Å; R36-P42 PolarHBondContact NH2-O 2.88Å; R36-N44 PolarHBondContact NH2-OD1 3.18Å
37A95Very high95.7Very high64 Ų6439.1 Ų39.153%0.52924%0.242SC..Hα-helixtrans-62.3-25174.200000113F18 D33 V34 G39F18-A37 HydrophobicContact CE2-CB 4.02Å; F18-A37 HydrophobicContact CZ-CB 3.98Å; D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 2.85Å; V34-A37 PolarHBondContact O-N 3.47Å; A37-G39 VanDerWaalsContact C-N 3.3Å
38L94.8Very high95.6Very high29 Ų2943.5 Ų43.515%0.15226%0.256CS..THydrogen-bonded Turntrans-89.814.7175-69.4177.1000113.9F11 A14 V34 L35 R36 F69 M73F11-L38 HydrophobicContact CB-CD1 4.04Å; F11-L38 HydrophobicContact CD1-CD1 3.75Å; F11-L38 HydrophobicContact CD1-CD2 3.63Å; F11-L38 HydrophobicContact CD1-CG 4.2Å; F11-L38 HydrophobicContact CE1-CD1 4.46Å; F11-L38 HydrophobicContact CE1-CD2 4.25Å; F11-L38 HydrophobicContact CG-CD1 4Å; A14-L38 HydrophobicContact CB-CD2 3.44Å; A14-L38 VanDerWaalsContact CB-CD2 3.44Å; A14-L38 HydrophobicContact CB-CG 4.07Å; V34-L38 HydrophobicContact CG1-CD1 4.17Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 2.98Å; L35-L38 PolarHBondContact O-N 3.41Å; R36-L38 PolarHBondContact O-N 3.32Å; L38-F69 HydrophobicContact CD1-CE1 3.93Å; L38-F69 HydrophobicContact CD1-CZ 3.95Å; L38-M73 HydrophobicContact CB-CE 3.76Å; L38-M73 HydrophobicContact CB-SD 4.44Å; L38-M73 HydrophobicContact CD1-CE 4.21Å; L38-M73 HydrophobicContact CD1-SD 4.31Å
39G91.6Very high95.6Very high65 Ų6550.3 Ų50.367%0.6729%0.285SS*.THydrogen-bonded Turntrans82.218.4171.700000114.9R36 A37R36-G39 PolarHBondContact O-N 3.36Å; A37-G39 VanDerWaalsContact C-N 3.3Å
40T93.7Very high95.5Very high11 Ų1150 Ų507%0.06728%0.28CS..  trans-102.1153.6171.570.30000110.9L35 R36 P42 M73 I76L35-T40 PolarHBondContact O-N 3.09Å; L35-T40 PolarHBondContact O-OG1 3.21Å; R36-T40 VanDerWaalsContact CA-O 3.28Å; R36-T40 WeakPolarHBondContact CA-O 3.26Å; T40-P42 VanDerWaalsContact O-CD 3.31Å; T40-P42 WeakPolarHBondContact O-CD 3.38Å; T40-P42 WeakPolarHBondContact OG1-CD 3.26Å; T40-M73 HydrophobicContact CG2-CE 3.85Å; T40-M73 HydrophobicContact CG2-SD 4.07Å; T40-I76 HydrophobicContact CG2-CG2 4.21Å
41N93.5Very high95.5Very high107 Ų10750.1 Ų50.157%0.57228%0.282SS*.  trans-119.959179.7-68-55.3000112.5
42P95.6Very high95.5Very high7 Ų752.9 Ų52.95%0.04531%0.31CS..  trans-73.5143.9179.632.2-36.1000111.8L35 R36 T40 E46 V47 I76L35-P42 HydrophobicContact CB-CG 4.05Å; L35-P42 HydrophobicContact CD1-CG 4.24Å; R36-P42 PolarHBondContact NH2-O 2.88Å; T40-P42 VanDerWaalsContact O-CD 3.31Å; T40-P42 WeakPolarHBondContact O-CD 3.38Å; T40-P42 WeakPolarHBondContact OG1-CD 3.26Å; P42-E46 WeakPolarHBondContact CA-OE2 3.4Å; P42-E46 HydrophobicContact CB-CB 4.38Å; P42-V47 HydrophobicContact CB-CG2 3.91Å; P42-V47 HydrophobicContact CG-CG2 3.78Å; P42-I76 HydrophobicContact CB-CD1 4.01Å; P42-I76 HydrophobicContact CB-CG1 4.48Å; P42-I76 HydrophobicContact CB-CG2 3.88Å; P42-I76 HydrophobicContact CG-CG2 4.11Å
43T95.6Very high95.4Very high58 Ų5858.3 Ų58.336%0.35634%0.338SS..  trans-65.1153.816563.60000110.5A45 E46 V47 E117T43-A45 PolarHBondContact O-N 2.68Å; T43-E46 WeakPolarHBondContact CB-OE2 3.47Å; T43-E46 PolarHBondContact N-OE2 3.22Å; T43-E46 PolarHBondContact O-N 3.01Å; T43-E46 VanDerWaalsContact O-N 3.13Å; T43-E46 WeakPolarHBondContact OG1-CB 3.43Å; T43-E46 WeakPolarHBondContact OG1-CG 3.33Å; T43-E46 PolarHBondContact OG1-N 2.78Å; T43-E46 VanDerWaalsContact OG1-N 3.13Å; T43-E46 PolarHBondContact OG1-OE2 3.45Å; T43-V47 WeakPolarHBondContact O-CG2 3.29Å; T43-V47 PolarHBondContact O-N 2.89Å; T43-E117 WeakPolarHBondContact CB-OE1 3.36Å
44N95.3Very high95.5Very high78 Ų7855.1 Ų55.142%0.41732%0.322SS..Hα-helixtrans-61-31.4174.7-61.5-52.9000111.7R36 R48 E117R36-N44 PolarHBondContact NH2-OD1 3.18Å; N44-R48 WeakPolarHBondContact O-CB 3.3Å; N44-R48 WeakPolarHBondContact O-CG 3.45Å; N44-R48 PolarHBondContact O-N 2.81Å; N44-E117 WeakPolarHBondContact CA-OE1 3.27Å; N44-E117 WeakPolarHBondContact CB-OE1 3.3Å; N44-E117 WeakPolarHBondContact CB-OE2 3.43Å; N44-E117 VanDerWaalsContact CG-OE2 3.28Å; N44-E117 PolarHBondContact N-OE1 2.92Å; N44-E117 PolarHBondContact N-OE2 2.98Å; N44-E117 PolarHBondContact ND2-OE2 3.27Å
45A95.1Very high95.4Very high59 Ų5957.7 Ų57.749%0.48834%0.34SS..Hα-helixtrans-63.3-44.1172.700000112.6T43 R48 K49 E117T43-A45 PolarHBondContact O-N 2.68Å; A45-R48 PolarHBondContact O-N 3.43Å; A45-K49 WeakPolarHBondContact O-CB 3.38Å; A45-K49 PolarHBondContact O-N 3Å; A45-E117 PolarHBondContact N-OE1 2.66Å
46E95.6Very high95.3Very high50 Ų5062.8 Ų62.823%0.23437%0.367CS..Hα-helixtrans-66-43.3176.6-72.6160.9147.400111.9P42 T43 R48 K49 V50 I76 N79P42-E46 WeakPolarHBondContact CA-OE2 3.4Å; P42-E46 HydrophobicContact CB-CB 4.38Å; T43-E46 WeakPolarHBondContact CB-OE2 3.47Å; T43-E46 PolarHBondContact N-OE2 3.22Å; T43-E46 PolarHBondContact O-N 3.01Å; T43-E46 VanDerWaalsContact O-N 3.13Å; T43-E46 WeakPolarHBondContact OG1-CB 3.43Å; T43-E46 WeakPolarHBondContact OG1-CG 3.33Å; T43-E46 PolarHBondContact OG1-N 2.78Å; T43-E46 VanDerWaalsContact OG1-N 3.13Å; T43-E46 PolarHBondContact OG1-OE2 3.45Å; E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.37Å; E46-K49 WeakPolarHBondContact O-CB 3.28Å; E46-K49 PolarHBondContact O-N 3.15Å; E46-K49 VanDerWaalsContact O-N 3.16Å; E46-V50 PolarHBondContact O-N 2.72Å; E46-I76 HydrophobicContact CB-CD1 4.04Å; E46-N79 PolarHBondContact OE1-ND2 2.98Å
47V96.8Very high95.3Very high10 Ų1066.1 Ų66.16%0.06139%0.387CS..Hα-helixtrans-57.2-49.7174.1176.80000109.9L35 P42 T43 K49 V50 L51L35-V47 HydrophobicContact CD1-CG2 4.08Å; P42-V47 HydrophobicContact CB-CG2 3.91Å; P42-V47 HydrophobicContact CG-CG2 3.78Å; T43-V47 WeakPolarHBondContact O-CG2 3.29Å; T43-V47 PolarHBondContact O-N 2.89Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.39Å; V47-V50 WeakPolarHBondContact O-CG2 3.25Å; V47-V50 PolarHBondContact O-N 3.27Å; V47-L51 HydrophobicContact CG1-CD1 3.74Å; V47-L51 HydrophobicContact CG1-CG 4.39Å; V47-L51 WeakPolarHBondContact O-CG 3.46Å; V47-L51 PolarHBondContact O-N 3.17Å
48R95.9Very high95.4Very high118 Ų11866.1 Ų66.145%0.44538%0.376SS..Hα-helixtrans-58.2-40.9176.6-80.1179.7167-178.3-4.1112.6N44 A45 E46 L51 G52 N53N44-R48 WeakPolarHBondContact O-CB 3.3Å; N44-R48 WeakPolarHBondContact O-CG 3.45Å; N44-R48 PolarHBondContact O-N 2.81Å; A45-R48 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.37Å; R48-L51 PolarHBondContact O-N 3.23Å; R48-G52 PolarHBondContact O-N 3.15Å; R48-N53 WeakPolarHBondContact O-CA 3.34Å; R48-N53 PolarHBondContact O-N 3.3Å
49K95.7Very high95.4Very high156 Ų15665.8 Ų65.868%0.67837%0.374SS*.Hα-helixtrans-63.2-46.2178.8-177-179.3176.9-176.80111.8A45 E46 V47 L51 G52A45-K49 WeakPolarHBondContact O-CB 3.38Å; A45-K49 PolarHBondContact O-N 3Å; E46-K49 WeakPolarHBondContact O-CB 3.28Å; E46-K49 PolarHBondContact O-N 3.15Å; E46-K49 VanDerWaalsContact O-N 3.16Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.39Å; K49-L51 PolarHBondContact O-N 3.12Å; K49-G52 PolarHBondContact O-N 3.25Å
50V95.9Very high95.5Very high42 Ų4268 Ų6826%0.25537%0.37SS..Hα-helixtrans-69.5-24.4178.5-60.10000112.7E46 V47 G52 M72 A75 I76E46-V50 PolarHBondContact O-N 2.72Å; V47-V50 WeakPolarHBondContact O-CG2 3.25Å; V47-V50 PolarHBondContact O-N 3.27Å; V50-G52 VanDerWaalsContact C-N 3.26Å; V50-G52 PolarHBondContact O-N 3.42Å; V50-M72 HydrophobicContact CB-CB 4.31Å; V50-M72 HydrophobicContact CB-CG 4.38Å; V50-M72 HydrophobicContact CG2-CB 4.14Å; V50-M72 HydrophobicContact CG2-CG 4.42Å; V50-A75 HydrophobicContact CG1-CB 4.15Å; V50-I76 HydrophobicContact CG1-CD1 3.85Å; V50-I76 HydrophobicContact CG1-CG1 4.26Å; V50-I76 HydrophobicContact CG2-CD1 4.39Å; V50-I76 HydrophobicContact CG2-CG1 4.46Å
51L96.6Very high95.5Very high23 Ų2371 Ų7112%0.1240%0.396CS..THydrogen-bonded Turntrans-78.9-5.6171.8-63169.2000113.6L28 V31 V47 R48 K49 P54 L59 M72L28-L51 HydrophobicContact CB-CD1 4.47Å; L28-L51 HydrophobicContact CB-CD2 4.39Å; L28-L51 HydrophobicContact CD2-CD2 3.64Å; V31-L51 HydrophobicContact CB-CD2 3.99Å; V31-L51 HydrophobicContact CG1-CD2 4.02Å; V31-L51 HydrophobicContact CG2-CD2 3.83Å; V47-L51 HydrophobicContact CG1-CD1 3.74Å; V47-L51 HydrophobicContact CG1-CG 4.39Å; V47-L51 WeakPolarHBondContact O-CG 3.46Å; V47-L51 PolarHBondContact O-N 3.17Å; R48-L51 PolarHBondContact O-N 3.23Å; K49-L51 PolarHBondContact O-N 3.12Å; L51-P54 HydrophobicContact CB-CG 3.93Å; L51-P54 HydrophobicContact CD1-CG 4.5Å; L51-L59 HydrophobicContact CD1-CD2 3.97Å; L51-M72 HydrophobicContact CD2-CE 4Å; L51-M72 HydrophobicContact CD2-SD 3.69Å
52G96.1Very high95.6Very high58 Ų5870.9 Ų70.960%0.59839%0.39SS*.THydrogen-bonded Turntrans82.426.8-178.400000114.7R48 K49 V50R48-G52 PolarHBondContact O-N 3.15Å; K49-G52 PolarHBondContact O-N 3.25Å; V50-G52 VanDerWaalsContact C-N 3.26Å; V50-G52 PolarHBondContact O-N 3.42Å
53N96.3Very high95.7Very high120 Ų12074.1 Ų74.164%0.64240%0.404SS*.SBendtrans54.355.7-178.9-57.8-52.1000114R48R48-N53 WeakPolarHBondContact O-CA 3.34Å; R48-N53 PolarHBondContact O-N 3.3Å
54P96.5Very high95.8Very high16 Ų1671.7 Ų71.710%0.10439%0.389CS..  trans-65.1155.3179.230.4-37.1000112L28 L51 E58 L59L28-P54 HydrophobicContact CD1-CB 4.04Å; L28-P54 HydrophobicContact CD1-CG 4.23Å; L51-P54 HydrophobicContact CB-CG 3.93Å; L51-P54 HydrophobicContact CD1-CG 4.5Å; P54-E58 VanDerWaalsContact CA-OE2 3.28Å; P54-E58 WeakPolarHBondContact CA-OE2 3.31Å; P54-E58 HydrophobicContact CB-CB 3.83Å; P54-L59 HydrophobicContact CB-CD2 4.44Å; P54-L59 HydrophobicContact CB-CG 4.39Å; P54-L59 HydrophobicContact CG-CD2 3.53Å; P54-L59 HydrophobicContact CG-CG 3.87Å
55S96.6Very high95.9Very high55 Ų5571.9 Ų71.939%0.38539%0.387SS..  trans-68.5164.6168.386.30000111.5E57 E58 L59S55-E57 PolarHBondContact O-N 3.1Å; S55-E57 PolarHBondContact OG-N 3.42Å; S55-E58 PolarHBondContact N-OE2 3.23Å; S55-E58 PolarHBondContact O-N 3.11Å; S55-E58 WeakPolarHBondContact OG-CG 3.48Å; S55-E58 PolarHBondContact OG-N 3.29Å; S55-L59 WeakPolarHBondContact O-CG 3.31Å; S55-L59 PolarHBondContact O-N 3.31Å
56N93.5Very high96Very high107 Ų10769.6 Ų69.657%0.57237%0.366SS*.Hα-helixtrans-62.3-29.3175.2-72.1-17.4000112.9N60N56-N60 PolarHBondContact O-ND2 3Å
57E95.7Very high96.1Very high156 Ų15672.9 Ų72.973%0.72938%0.381SS*.Hα-helixtrans-69.4-46.1174.7-175.8179.6177.800110.3S55 L59 N60 A61S55-E57 PolarHBondContact O-N 3.1Å; S55-E57 PolarHBondContact OG-N 3.42Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.98Å; E57-N60 PolarHBondContact O-N 3.2Å; E57-N60 VanDerWaalsContact O-N 3.17Å; E57-A61 VanDerWaalsContact O-CB 3.31Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.89Å
58E96.3Very high96.1Very high64 Ų6477.1 Ų77.130%0.29940%0.401SS..Hα-helixtrans-62.6-38.2177.8-66.7179129.800111.9P54 S55 N60 A61 K62P54-E58 VanDerWaalsContact CA-OE2 3.28Å; P54-E58 WeakPolarHBondContact CA-OE2 3.31Å; P54-E58 HydrophobicContact CB-CB 3.83Å; S55-E58 PolarHBondContact N-OE2 3.23Å; S55-E58 PolarHBondContact O-N 3.11Å; S55-E58 WeakPolarHBondContact OG-CG 3.48Å; S55-E58 PolarHBondContact OG-N 3.29Å; E58-N60 PolarHBondContact O-N 2.89Å; E58-A61 PolarHBondContact O-N 2.59Å; E58-K62 HydrophobicContact CB-CD 4.07Å; E58-K62 HydrophobicContact CB-CG 4.3Å; E58-K62 HydrophobicContact CG-CD 4.22Å; E58-K62 VanDerWaalsContact O-CB 3.31Å; E58-K62 WeakPolarHBondContact O-CB 3.43Å; E58-K62 PolarHBondContact O-N 3.31Å; E58-K62 VanDerWaalsContact OE1-CE 3.31Å; E58-K62 WeakPolarHBondContact OE1-CE 3.31Å; E58-K62 IonicContact OE1-NZ 3.09Å; E58-K62 PolarHBondContact OE1-NZ 3.05Å
59L95.3Very high96.1Very high21 Ų2171.5 Ų71.511%0.1138%0.379CS..Hα-helixtrans-55-37.6176.5-79.5174.9000112.6L28 S29 L51 P54 S55 E57L28-L59 HydrophobicContact CB-CD2 3.93Å; S29-L59 WeakPolarHBondContact CB-O 3.49Å; S29-L59 PolarHBondContact N-O 3.36Å; S29-L59 PolarHBondContact OG-O 3.43Å; L51-L59 HydrophobicContact CD1-CD2 3.97Å; P54-L59 HydrophobicContact CB-CD2 4.44Å; P54-L59 HydrophobicContact CB-CG 4.39Å; P54-L59 HydrophobicContact CG-CD2 3.53Å; P54-L59 HydrophobicContact CG-CG 3.87Å; S55-L59 WeakPolarHBondContact O-CG 3.31Å; S55-L59 PolarHBondContact O-N 3.31Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.98Å
60N93.9Very high96.2Very high112 Ų11266 Ų6660%0.59936%0.357SS*.Hα-helixtrans-96.6-22.1-175-66-63.4000113.6N56 E57 E58N56-N60 PolarHBondContact O-ND2 3Å; E57-N60 PolarHBondContact O-N 3.2Å; E57-N60 VanDerWaalsContact O-N 3.17Å; E58-N60 PolarHBondContact O-N 2.89Å
61A93.8Very high96.1Very high73 Ų7367.9 Ų67.960%0.60337%0.37SS*.Hα-helixtrans-99.9-36.5-176.800000113.5E57 E58E57-A61 VanDerWaalsContact O-CB 3.31Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.89Å; E58-A61 PolarHBondContact O-N 2.59Å
62K96.3Very high96.1Very high105 Ų10568.1 Ų68.146%0.45737%0.371SS..  trans-82.2135.6-176.5-67.5-172.3-178.9172.60110.5T27 L28 E58T27-K62 WeakPolarHBondContact CA-O 3.19Å; L28-K62 HydrophobicContact CD1-CB 3.74Å; L28-K62 HydrophobicContact CD1-CD 4.25Å; L28-K62 HydrophobicContact CG-CB 4Å; L28-K62 PolarHBondContact N-O 3.25Å; E58-K62 HydrophobicContact CB-CD 4.07Å; E58-K62 HydrophobicContact CB-CG 4.3Å; E58-K62 HydrophobicContact CG-CD 4.22Å; E58-K62 VanDerWaalsContact O-CB 3.31Å; E58-K62 WeakPolarHBondContact O-CB 3.43Å; E58-K62 PolarHBondContact O-N 3.31Å; E58-K62 VanDerWaalsContact OE1-CE 3.31Å; E58-K62 WeakPolarHBondContact OE1-CE 3.31Å; E58-K62 IonicContact OE1-NZ 3.09Å; E58-K62 PolarHBondContact OE1-NZ 3.05Å
63K96.7Very high96.1Very high75 Ų7565.5 Ų65.533%0.32634%0.343SS..EExtended strand (participates in β ladder)trans-111.5151.5174.1-69-167.9174.7-167.10111.3T21 D23 K25 I26 T27T21-K63 PolarHBondContact OG1-NZ 3.32Å; D23-K63 VanDerWaalsContact CG-NZ 3.28Å; D23-K63 IonicContact OD1-NZ 3.51Å; D23-K63 PolarHBondContact OD1-NZ 2.7Å; D23-K63 VanDerWaalsContact OD1-NZ 3.09Å; D23-K63 IonicContact OD2-NZ 3.69Å; D23-K63 PolarHBondContact OD2-NZ 2.97Å; K25-K63 HydrophobicContact CB-CB 4.01Å; K25-K63 HydrophobicContact CB-CD 3.89Å; K25-K63 HydrophobicContact CD-CB 4.32Å; I26-K63 CarbonylContact O-C 3.59Å; I26-K63 WeakPolarHBondContact O-CA 3.17Å; T27-K63 HydrophobicContact CG2-CG 4.15Å
64I97.3Very high96Very high8 Ų861.8 Ų61.84%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-124.5151.6175.362.6168.4000111.3F15 K25 I26 L28 V31 Q68 F69 M72F15-I64 WeakPolarHBondContact CZ-O 3.11Å; K25-I64 VanDerWaalsContact CA-O 3.25Å; K25-I64 WeakPolarHBondContact CA-O 3.36Å; K25-I64 WeakPolarHBondContact CB-O 3.37Å; I26-I64 HydrophobicContact CG1-CG1 3.97Å; I26-I64 PolarHBondContact N-O 3.23Å; I26-I64 PolarHBondContact O-N 3.28Å; L28-I64 HydrophobicContact CD2-CG2 3.42Å; L28-I64 VanDerWaalsContact CD2-CG2 3.42Å; L28-I64 HydrophobicContact CG-CG2 4.5Å; V31-I64 HydrophobicContact CG2-CD1 3.54Å; V31-I64 HydrophobicContact CG2-CG1 4.33Å; I64-Q68 HydrophobicContact CB-CB 4.13Å; I64-F69 HydrophobicContact CD1-CB 4.04Å; I64-M72 HydrophobicContact CD1-CE 4.32Å; I64-M72 HydrophobicContact CD1-SD 4.2Å
65E97.9Very high95.9Very high81 Ų8163.5 Ų63.538%0.37934%0.338SS..EExtended strand (participates in β ladder)trans-88.2162.8170.2-68.4168.6-164.100110.5K25 E67 Q68 F69K25-E65 HydrophobicContact CD-CG 4.13Å; K25-E65 WeakPolarHBondContact CE-OE1 3.4Å; K25-E65 HydrophobicContact CG-CG 3.87Å; K25-E65 IonicContact NZ-OE1 3.61Å; K25-E65 PolarHBondContact NZ-OE1 3.49Å; E65-E67 PolarHBondContact O-N 3.07Å; E65-Q68 WeakPolarHBondContact O-CB 3.42Å; E65-Q68 PolarHBondContact O-N 3.22Å; E65-F69 PolarHBondContact O-N 3.3Å
66F97.6Very high95.9Very high12 Ų1261.2 Ų61.25%0.05332%0.321CS..Hα-helixtrans-58.5-37-177.1176.3-106.4000112.8I8 F11 K12 F15 Q68 F69 L70I8-F66 HydrophobicContact CG2-CE1 3.85Å; I8-F66 HydrophobicContact CG2-CZ 4.05Å; I8-F66 WeakPolarHBondContact O-CZ 3.41Å; F11-F66 HydrophobicContact CB-CE2 3.91Å; F11-F66 HydrophobicContact CB-CZ 4.01Å; K12-F66 VanDerWaalsContact CA-CE2 3.42Å; K12-F66 HydrophobicContact CB-CD1 4.24Å; K12-F66 HydrophobicContact CB-CD2 4.15Å; K12-F66 HydrophobicContact CB-CE1 3.92Å; K12-F66 HydrophobicContact CB-CE2 3.84Å; K12-F66 HydrophobicContact CB-CG 4.34Å; K12-F66 HydrophobicContact CB-CZ 3.7Å; K12-F66 HydrophobicContact CD-CD1 4.09Å; K12-F66 HydrophobicContact CD-CE1 4.3Å; K12-F66 HydrophobicContact CD-CG 4.48Å; K12-F66 HydrophobicContact CG-CD1 4.14Å; K12-F66 HydrophobicContact CG-CD2 4.28Å; K12-F66 HydrophobicContact CG-CE1 4.31Å; K12-F66 HydrophobicContact CG-CE2 4.46Å; K12-F66 HydrophobicContact CG-CG 4.11Å; K12-F66 HydrophobicContact CG-CZ 4.46Å; F15-F66 HydrophobicContact CB-CD2 3.86Å; F15-F66 HydrophobicContact CB-CE2 4.36Å; F15-F66 HydrophobicContact CD1-CB 4.2Å; F15-F66 HydrophobicContact CD1-CD2 4.34Å; F15-F66 HydrophobicContact CD2-CD2 4.12Å; F15-F66 HydrophobicContact CE1-CB 4.21Å; F15-F66 HydrophobicContact CG-CB 4.47Å; F15-F66 AromaticContact CG-CD2 3.87Å; F15-F66 HydrophobicContact CG-CD2 3.87Å; F15-F66 HydrophobicContact CZ-CB 4.45Å; F66-Q68 PolarHBondContact O-N 3.39Å; F66-F69 HydrophobicContact CD2-CD1 4.2Å; F66-F69 HydrophobicContact CE2-CD1 4.12Å; F66-F69 WeakPolarHBondContact O-CB 3.46Å; F66-F69 PolarHBondContact O-N 2.96Å; F66-L70 HydrophobicContact CZ-CD1 4.3Å; F66-L70 PolarHBondContact O-N 3.32Å
67E96.6Very high95.8Very high118 Ų11858.3 Ų58.355%0.55131%0.309SS*.Hα-helixtrans-62.5-27.3178.7-68.869.5-160.900111.9E65 P71E65-E67 PolarHBondContact O-N 3.07Å; E67-P71 VanDerWaalsContact O-CD 3.26Å; E67-P71 WeakPolarHBondContact O-CD 3.37Å
68Q96.9Very high95.5Very high100 Ų10055 Ų5547%0.46730%0.296SS..Hα-helixtrans-84.4-27.7174.2-56.9178-81.700112.2I64 E65 F66I64-Q68 HydrophobicContact CB-CB 4.13Å; E65-Q68 WeakPolarHBondContact O-CB 3.42Å; E65-Q68 PolarHBondContact O-N 3.22Å; F66-Q68 PolarHBondContact O-N 3.39Å
69F97.5Very high95.1Very high0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-73.6-39.6176.3171.4-97.2000112.5F15 V31 V34 L35 L38 I64 E65 F66 M72 M73F15-F69 HydrophobicContact CD2-CB 4Å; F15-F69 HydrophobicContact CD2-CD1 4.06Å; F15-F69 HydrophobicContact CD2-CD2 4.31Å; F15-F69 AromaticContact CD2-CG 3.86Å; F15-F69 HydrophobicContact CD2-CG 3.86Å; F15-F69 HydrophobicContact CE2-CB 3.76Å; F15-F69 HydrophobicContact CE2-CD2 4.48Å; F15-F69 HydrophobicContact CE2-CG 4.08Å; V31-F69 HydrophobicContact CG1-CD2 4.06Å; V31-F69 HydrophobicContact CG1-CE2 4.06Å; V34-F69 HydrophobicContact CB-CE2 4.07Å; V34-F69 HydrophobicContact CB-CZ 4.21Å; V34-F69 HydrophobicContact CG1-CE1 4.19Å; V34-F69 HydrophobicContact CG1-CE2 3.84Å; V34-F69 HydrophobicContact CG1-CZ 3.54Å; L35-F69 HydrophobicContact CD2-CE2 3.95Å; L35-F69 HydrophobicContact CD2-CZ 3.92Å; L35-F69 HydrophobicContact CG-CE2 4Å; L35-F69 HydrophobicContact CG-CZ 4.31Å; L38-F69 HydrophobicContact CD1-CE1 3.93Å; L38-F69 HydrophobicContact CD1-CZ 3.95Å; I64-F69 HydrophobicContact CD1-CB 4.04Å; E65-F69 PolarHBondContact O-N 3.3Å; F66-F69 HydrophobicContact CD2-CD1 4.2Å; F66-F69 HydrophobicContact CE2-CD1 4.12Å; F66-F69 WeakPolarHBondContact O-CB 3.46Å; F66-F69 PolarHBondContact O-N 2.96Å; F69-M72 WeakPolarHBondContact O-CA 3.35Å; F69-M72 VanDerWaalsContact O-CB 3.26Å; F69-M72 WeakPolarHBondContact O-CB 3.31Å; F69-M72 PolarHBondContact O-N 3.27Å; F69-M73 HydrophobicContact CD1-CB 4.44Å; F69-M73 HydrophobicContact CE1-CB 3.89Å; F69-M73 HydrophobicContact CE1-CG 4.38Å; F69-M73 HydrophobicContact CZ-CB 4.13Å; F69-M73 PolarHBondContact O-N 3.04Å
70L96.4Very high94.3Very high41 Ų4163.1 Ų63.122%0.21533%0.332CS..Hα-helixtrans-56.2-42.2-173-17366.3000114.3F3 I8 F11 F66 M72 M73 Q74F3-L70 HydrophobicContact CD2-CD1 3.91Å; F3-L70 HydrophobicContact CE2-CD1 4.26Å; I8-L70 HydrophobicContact CD1-CD2 4.36Å; I8-L70 HydrophobicContact CG1-CD1 4.3Å; I8-L70 HydrophobicContact CG1-CD2 4.34Å; I8-L70 HydrophobicContact CG2-CD2 4.46Å; F11-L70 HydrophobicContact CD2-CD1 4.08Å; F66-L70 HydrophobicContact CZ-CD1 4.3Å; F66-L70 PolarHBondContact O-N 3.32Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 PolarHBondContact O-N 3.24Å; L70-M73 PolarHBondContact O-N 2.8Å; L70-Q74 WeakPolarHBondContact O-CB 3.49Å; L70-Q74 PolarHBondContact O-N 2.87Å
71P95.2Very high93.8Very high81 Ų8164.3 Ų64.353%0.52634%0.339SS..Hα-helixtrans-62.9-32.5172.9-23.334.7000113.7E67 Q74 A75E67-P71 VanDerWaalsContact O-CD 3.26Å; E67-P71 WeakPolarHBondContact O-CD 3.37Å; P71-Q74 PolarHBondContact O-N 3.39Å; P71-A75 PolarHBondContact O-N 3.46Å
72M96.2Very high93.2Very high27 Ų2765 Ų6513%0.13333%0.33CS..Hα-helixtrans-68.5-46.3176.4-55174.9-175.800110.3V31 V50 L51 I64 F69 L70 Q74 A75 I76V31-M72 HydrophobicContact CG1-SD 4.19Å; V50-M72 HydrophobicContact CB-CB 4.31Å; V50-M72 HydrophobicContact CB-CG 4.38Å; V50-M72 HydrophobicContact CG2-CB 4.14Å; V50-M72 HydrophobicContact CG2-CG 4.42Å; L51-M72 HydrophobicContact CD2-CE 4Å; L51-M72 HydrophobicContact CD2-SD 3.69Å; I64-M72 HydrophobicContact CD1-CE 4.32Å; I64-M72 HydrophobicContact CD1-SD 4.2Å; F69-M72 WeakPolarHBondContact O-CA 3.35Å; F69-M72 VanDerWaalsContact O-CB 3.26Å; F69-M72 WeakPolarHBondContact O-CB 3.31Å; F69-M72 PolarHBondContact O-N 3.27Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 PolarHBondContact O-N 3.24Å; M72-Q74 VanDerWaalsContact C-N 3.26Å; M72-Q74 PolarHBondContact O-N 3.21Å; M72-A75 PolarHBondContact O-N 2.93Å; M72-A75 VanDerWaalsContact O-N 3.15Å; M72-I76 WeakPolarHBondContact O-CG1 3.4Å; M72-I76 PolarHBondContact O-N 2.99Å
73M96.1Very high92.9Very high4 Ų461.7 Ų61.72%0.0233%0.325CS..Hα-helixtrans-57-42.1173.4-179.256.8178.100111.4F3 F11 L35 L38 T40 F69 L70 S77F3-M73 HydrophobicContact CE2-CB 4.5Å; F3-M73 HydrophobicContact CE2-CG 4.08Å; F3-M73 HydrophobicContact CZ-CG 3.97Å; F11-M73 HydrophobicContact CD1-CE 4.44Å; F11-M73 HydrophobicContact CD2-CG 4.13Å; F11-M73 HydrophobicContact CE1-CE 3.83Å; F11-M73 HydrophobicContact CE2-CE 4.12Å; F11-M73 HydrophobicContact CE2-CG 3.98Å; F11-M73 HydrophobicContact CZ-CE 3.64Å; F11-M73 HydrophobicContact CZ-CG 4.47Å; L35-M73 HydrophobicContact CD2-CB 4.18Å; L35-M73 HydrophobicContact CD2-SD 3.64Å; L38-M73 HydrophobicContact CB-CE 3.76Å; L38-M73 HydrophobicContact CB-SD 4.44Å; L38-M73 HydrophobicContact CD1-CE 4.21Å; L38-M73 HydrophobicContact CD1-SD 4.31Å; T40-M73 HydrophobicContact CG2-CE 3.85Å; T40-M73 HydrophobicContact CG2-SD 4.07Å; F69-M73 HydrophobicContact CD1-CB 4.44Å; F69-M73 HydrophobicContact CE1-CB 3.89Å; F69-M73 HydrophobicContact CE1-CG 4.38Å; F69-M73 HydrophobicContact CZ-CB 4.13Å; F69-M73 PolarHBondContact O-N 3.04Å; L70-M73 PolarHBondContact O-N 2.8Å; M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.33Å; M73-S77 PolarHBondContact O-N 3.39Å; M73-S77 PolarHBondContact O-OG 2.94Å
74Q94.8Very high92.8Very high41 Ų4161.3 Ų61.319%0.19233%0.329CS..Hα-helixtrans-63.8-41.6176.9-172.465.182.500112.4M1 F3 L70 P71 M72 N78M1-Q74 PolarHBondContact O-NE2 3.36Å; M1-Q74 PolarHBondContact O-OE1 3.03Å; F3-Q74 HydrophobicContact CE2-CB 3.77Å; F3-Q74 HydrophobicContact CE2-CG 4.3Å; F3-Q74 VanDerWaalsContact CE2-OE1 3.3Å; F3-Q74 HydrophobicContact CZ-CB 4.36Å; L70-Q74 WeakPolarHBondContact O-CB 3.49Å; L70-Q74 PolarHBondContact O-N 2.87Å; P71-Q74 PolarHBondContact O-N 3.39Å; M72-Q74 VanDerWaalsContact C-N 3.26Å; M72-Q74 PolarHBondContact O-N 3.21Å; Q74-N78 PolarHBondContact NE2-ND2 3.19Å; Q74-N78 VanDerWaalsContact NE2-ND2 3.19Å; Q74-N78 VanDerWaalsContact O-CG 3.28Å; Q74-N78 PolarHBondContact O-N 3.23Å; Q74-N78 PolarHBondContact O-ND2 3.38Å
75A94.1Very high92.7Very high53 Ų5363.3 Ų63.344%0.43834%0.336SS..Hα-helixtrans-65.2-46.6178.800000111.6V50 P71 M72 N78V50-A75 HydrophobicContact CG1-CB 4.15Å; P71-A75 PolarHBondContact O-N 3.46Å; M72-A75 PolarHBondContact O-N 2.93Å; M72-A75 VanDerWaalsContact O-N 3.15Å; A75-N78 PolarHBondContact O-N 3.17Å
76I95Very high92.6Very high7 Ų765 Ų654%0.03634%0.344CS..Hα-helixtrans-65.5-44.6178.7-65.1-58.1000111.4L35 T40 P42 E46 V50 M72 N78 N79L35-I76 HydrophobicContact CD1-CG1 4.05Å; L35-I76 HydrophobicContact CD2-CB 4.37Å; L35-I76 HydrophobicContact CD2-CG1 4.31Å; T40-I76 HydrophobicContact CG2-CG2 4.21Å; P42-I76 HydrophobicContact CB-CD1 4.01Å; P42-I76 HydrophobicContact CB-CG1 4.48Å; P42-I76 HydrophobicContact CB-CG2 3.88Å; P42-I76 HydrophobicContact CG-CG2 4.11Å; E46-I76 HydrophobicContact CB-CD1 4.04Å; V50-I76 HydrophobicContact CG1-CD1 3.85Å; V50-I76 HydrophobicContact CG1-CG1 4.26Å; V50-I76 HydrophobicContact CG2-CD1 4.39Å; V50-I76 HydrophobicContact CG2-CG1 4.46Å; M72-I76 WeakPolarHBondContact O-CG1 3.4Å; M72-I76 PolarHBondContact O-N 2.99Å; I76-N78 PolarHBondContact O-N 3.28Å; I76-N79 VanDerWaalsContact O-CB 3.3Å; I76-N79 WeakPolarHBondContact O-CB 3.33Å; I76-N79 PolarHBondContact O-N 2.99Å
77S92.1Very high92.5Very high45 Ų4569.1 Ų69.132%0.31537%0.367SS..Hα-helixtrans-64.2-23.2-179.8-600000113.7M73 N79M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.33Å; M73-S77 PolarHBondContact O-N 3.39Å; M73-S77 PolarHBondContact O-OG 2.94Å; S77-N79 VanDerWaalsContact C-N 3.33Å
78N90.4Very high92.5Very high86 Ų8668 Ų6846%0.4636%0.36SS..THydrogen-bonded Turntrans-86.3-5.9176.5-72.6-39.2000112.7Q74 A75 I76 K80Q74-N78 PolarHBondContact NE2-ND2 3.19Å; Q74-N78 VanDerWaalsContact NE2-ND2 3.19Å; Q74-N78 VanDerWaalsContact O-CG 3.28Å; Q74-N78 PolarHBondContact O-N 3.23Å; Q74-N78 PolarHBondContact O-ND2 3.38Å; A75-N78 PolarHBondContact O-N 3.17Å; I76-N78 PolarHBondContact O-N 3.28Å; N78-K80 PolarHBondContact O-N 2.92Å
79N87Confident92.4Very high51 Ų5163.5 Ų63.527%0.27334%0.339SS..  trans-75.3122.2175.5-169.22.9000110.3E46 I76 S77 D81E46-N79 PolarHBondContact OE1-ND2 2.98Å; I76-N79 VanDerWaalsContact O-CB 3.3Å; I76-N79 WeakPolarHBondContact O-CB 3.33Å; I76-N79 PolarHBondContact O-N 2.99Å; S77-N79 VanDerWaalsContact C-N 3.33Å; N79-D81 PolarHBondContact OD1-N 3.18Å
80K78.4Confident92.4Very high205 Ų20568.1 Ų68.189%0.89136%0.361SS*.  trans-99.3-3.8-178.4-61.9-172.8178.4-175.40113.2N78 Q82N78-K80 PolarHBondContact O-N 2.92Å; K80-Q82 PolarHBondContact O-N 2.79Å
81D83.8Confident92.3Very high138 Ų13868 Ų6874%0.73837%0.37SS*.  trans-9564-173.5-162.115.1000110.8N79N79-D81 PolarHBondContact OD1-N 3.18Å
82Q81.4Confident92.3Very high88 Ų8865.4 Ų65.441%0.41135%0.351SS..SBendtrans-101.97.8-175.6-65.5-164.14.100114.2K80K80-Q82 PolarHBondContact O-N 2.79Å
83G89.7Confident92.3Very high35 Ų3568.9 Ų68.936%0.36136%0.363SS..  trans69.3150.2-172.300000112.7
84T93.8Very high92.2Very high66 Ų6674.1 Ų74.141%0.40540%0.395SS..  trans-99.7165.7175.463.40000111E86 D87 F88T84-E86 PolarHBondContact O-N 2.95Å; T84-D87 WeakPolarHBondContact CB-OD2 3.28Å; T84-D87 PolarHBondContact N-OD2 2.93Å; T84-D87 PolarHBondContact O-N 3.28Å; T84-D87 VanDerWaalsContact O-N 3.14Å; T84-D87 PolarHBondContact OG1-N 2.84Å; T84-D87 PolarHBondContact OG1-OD2 3.01Å; T84-F88 WeakPolarHBondContact O-CD2 3.44Å; T84-F88 PolarHBondContact O-N 3.03Å
85Y95.2Very high92.1Very high51 Ų5174.6 Ų74.620%0.240%0.397CS..Hα-helixtrans-52.9-44.2172.5170.4-99.7000111D87 F88 V89 E141 V144 K145 M148Y85-D87 PolarHBondContact O-N 3.13Å; Y85-F88 PolarHBondContact O-N 2.77Å; Y85-V89 HydrophobicContact CD1-CG2 4.29Å; Y85-V89 HydrophobicContact CD2-CG2 4.26Å; Y85-V89 HydrophobicContact CE1-CG2 3.79Å; Y85-V89 HydrophobicContact CE2-CG2 3.71Å; Y85-V89 VanDerWaalsContact CZ-CG2 3.48Å; Y85-V89 WeakPolarHBondContact O-CG2 3.04Å; Y85-V89 PolarHBondContact O-N 2.99Å; Y85-E141 WeakPolarHBondContact OH-CB 3.43Å; Y85-E141 WeakPolarHBondContact OH-CG 3.37Å; Y85-V144 HydrophobicContact CD2-CB 4.3Å; Y85-V144 HydrophobicContact CD2-CG1 3.49Å; Y85-V144 VanDerWaalsContact CD2-CG1 3.49Å; Y85-V144 HydrophobicContact CE2-CB 4.03Å; Y85-V144 HydrophobicContact CE2-CG1 3.74Å; Y85-K145 HydrophobicContact CD2-CG 4.31Å; Y85-K145 HydrophobicContact CE2-CD 4.43Å; Y85-K145 HydrophobicContact CE2-CG 3.6Å; Y85-K145 WeakPolarHBondContact OH-CE 3.34Å; Y85-M148 HydrophobicContact CD2-SD 4.05Å; Y85-M148 HydrophobicContact CG-SD 4.5Å
86E96.2Very high92.1Very high116 Ų11672.8 Ų72.854%0.54238%0.379SS..Hα-helixtrans-61.8-42.7178.7-66.771.8-159.700111.7T84 F88 V89 E90T84-E86 PolarHBondContact O-N 2.95Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 3.47Å; E86-V89 PolarHBondContact O-N 3.4Å; E86-E90 WeakPolarHBondContact O-CG 3.45Å; E86-E90 PolarHBondContact O-N 3.14Å
87D95.6Very high91.9Very high98 Ų9880.6 Ų80.652%0.52441%0.413SS..Hα-helixtrans-60.3-43.4178.2-61.8-44.5000111.7T84 Y85 G91T84-D87 WeakPolarHBondContact CB-OD2 3.28Å; T84-D87 PolarHBondContact N-OD2 2.93Å; T84-D87 PolarHBondContact O-N 3.28Å; T84-D87 VanDerWaalsContact O-N 3.14Å; T84-D87 PolarHBondContact OG1-N 2.84Å; T84-D87 PolarHBondContact OG1-OD2 3.01Å; Y85-D87 PolarHBondContact O-N 3.13Å; D87-G91 PolarHBondContact O-N 3.3Å
88F95.8Very high91.8Very high95 Ų9586.3 Ų86.342%0.41744%0.435SS..Hα-helixtrans-68.9-41.1178.8-66.5-59.7000112.4T84 Y85 E86 G91 L92 V144 M148T84-F88 WeakPolarHBondContact O-CD2 3.44Å; T84-F88 PolarHBondContact O-N 3.03Å; Y85-F88 PolarHBondContact O-N 2.77Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 3.47Å; F88-G91 PolarHBondContact O-N 3.34Å; F88-L92 PolarHBondContact O-N 3.49Å; F88-V144 HydrophobicContact CB-CG1 3.7Å; F88-V144 HydrophobicContact CB-CG2 3.87Å; F88-V144 HydrophobicContact CD2-CG1 4.42Å; F88-V144 HydrophobicContact CG-CG1 4.44Å; F88-M148 HydrophobicContact CD2-SD 4.03Å; F88-M148 HydrophobicContact CE2-CE 4.48Å; F88-M148 HydrophobicContact CE2-SD 4.47Å
89V96.8Very high92Very high5 Ų585.2 Ų85.23%0.0344%0.444CS..Hα-helixtrans-63.9-46.5177.3168.90000111.2Y85 E86 G91 L92 R93 Y140 E141 V144Y85-V89 HydrophobicContact CD1-CG2 4.29Å; Y85-V89 HydrophobicContact CD2-CG2 4.26Å; Y85-V89 HydrophobicContact CE1-CG2 3.79Å; Y85-V89 HydrophobicContact CE2-CG2 3.71Å; Y85-V89 VanDerWaalsContact CZ-CG2 3.48Å; Y85-V89 WeakPolarHBondContact O-CG2 3.04Å; Y85-V89 PolarHBondContact O-N 2.99Å; E86-V89 PolarHBondContact O-N 3.4Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 3.19Å; V89-L92 PolarHBondContact O-N 2.81Å; V89-R93 WeakPolarHBondContact O-CB 3.14Å; V89-R93 PolarHBondContact O-N 3.16Å; V89-Y140 HydrophobicContact CG1-CD2 4.06Å; V89-Y140 HydrophobicContact CG1-CE2 3.81Å; V89-E141 HydrophobicContact CG1-CG 4.07Å; V89-E141 HydrophobicContact CG2-CG 4.19Å; V89-V144 HydrophobicContact CG2-CB 4.28Å; V89-V144 HydrophobicContact CG2-CG1 4.37Å; V89-V144 HydrophobicContact CG2-CG2 4.27Å
90E95.9Very high92.4Very high98 Ų9886.8 Ų86.846%0.45845%0.453SS..Hα-helixtrans-63.7-37.4176.8-67.9-56.9146.100111.6E86 L92 R93E86-E90 WeakPolarHBondContact O-CG 3.45Å; E86-E90 PolarHBondContact O-N 3.14Å; E90-L92 PolarHBondContact O-N 2.81Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 IonicContact OE1-CZ 3.88Å; E90-R93 IonicContact OE1-NH1 2.96Å; E90-R93 PolarHBondContact OE1-NH1 2.82Å; E90-R93 IonicContact OE1-NH2 2.59Å; E90-R93 PolarHBondContact OE1-NH2 3.4Å; E90-R93 IonicContact OE2-CZ 2.7Å; E90-R93 IonicContact OE2-NH1 3.54Å; E90-R93 PolarHBondContact OE2-NH1 2.65Å
91G94.6Very high93.3Very high39 Ų3977.7 Ų77.740%0.40242%0.417SS..Hα-helixtrans-59.9-42.3174.600000113.1D87 F88 V89D87-G91 PolarHBondContact O-N 3.3Å; F88-G91 PolarHBondContact O-N 3.34Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 3.19Å
92L95.3Very high93.9Very high26 Ų2672.7 Ų72.714%0.13639%0.392CS..Hα-helixtrans-77.6-29.9177.9-68.2179000113.2F88 V89 E90 V94 F95 L108 Y140 F143 V144F88-L92 PolarHBondContact O-N 3.49Å; V89-L92 PolarHBondContact O-N 2.81Å; E90-L92 PolarHBondContact O-N 2.81Å; L92-V94 PolarHBondContact O-N 2.66Å; L92-V94 VanDerWaalsContact O-N 3.14Å; L92-F95 WeakPolarHBondContact O-CD2 3.49Å; L92-F95 PolarHBondContact O-N 3.13Å; L92-L108 HydrophobicContact CD2-CD1 3.59Å; L92-Y140 HydrophobicContact CB-CD2 4.42Å; L92-Y140 HydrophobicContact CB-CG 4.15Å; L92-F143 HydrophobicContact CD1-CD1 4.08Å; L92-V144 HydrophobicContact CD1-CG2 3.7Å
93R95.6Very high94.6Very high99 Ų9968.8 Ų68.837%0.37437%0.374SS..Hα-helixtrans-58.6-26.5177.4-175.3-178.4-70.5158.14.6112.8V89 E90 F95 D96 Y140V89-R93 WeakPolarHBondContact O-CB 3.14Å; V89-R93 PolarHBondContact O-N 3.16Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 IonicContact OE1-CZ 3.88Å; E90-R93 IonicContact OE1-NH1 2.96Å; E90-R93 PolarHBondContact OE1-NH1 2.82Å; E90-R93 IonicContact OE1-NH2 2.59Å; E90-R93 PolarHBondContact OE1-NH2 3.4Å; E90-R93 IonicContact OE2-CZ 2.7Å; E90-R93 IonicContact OE2-NH1 3.54Å; E90-R93 PolarHBondContact OE2-NH1 2.65Å; R93-F95 PolarHBondContact O-N 3.1Å; R93-F95 VanDerWaalsContact O-N 3.09Å; R93-D96 WeakPolarHBondContact O-CB 3.43Å; R93-D96 PolarHBondContact O-N 3.07Å; R93-Y140 HydrophobicContact CB-CE2 4.44Å
94V94.1Very high95Very high115 Ų11572.6 Ų72.670%0.69738%0.383SS*.THydrogen-bonded Turntrans-57.1-25.1175.5-1790000112.5L92L92-V94 PolarHBondContact O-N 2.66Å; L92-V94 VanDerWaalsContact O-N 3.14Å
95F92.7Very high95.1Very high50 Ų5069.4 Ų69.422%0.21936%0.364CS..THydrogen-bonded Turntrans-92.6-11.1178-54.1-75.1000113.4L92 R93 K97 V103 E107 V111L92-F95 WeakPolarHBondContact O-CD2 3.49Å; L92-F95 PolarHBondContact O-N 3.13Å; R93-F95 PolarHBondContact O-N 3.1Å; R93-F95 VanDerWaalsContact O-N 3.09Å; F95-K97 PolarHBondContact O-N 3.16Å; F95-K97 VanDerWaalsContact O-N 3.11Å; F95-V103 HydrophobicContact CB-CG1 3.79Å; F95-E107 HydrophobicContact CD1-CG 4.25Å; F95-V111 HydrophobicContact CD1-CG2 4.07Å; F95-V111 HydrophobicContact CE1-CG2 3.46Å; F95-V111 VanDerWaalsContact CE1-CG2 3.46Å; F95-V111 HydrophobicContact CE2-CG1 4.12Å; F95-V111 HydrophobicContact CE2-CG2 4.11Å; F95-V111 HydrophobicContact CZ-CB 4.37Å; F95-V111 HydrophobicContact CZ-CG1 3.94Å; F95-V111 HydrophobicContact CZ-CG2 3.48Å; F95-V111 VanDerWaalsContact CZ-CG2 3.48Å
96D95Very high95.1Very high15 Ų1570.1 Ų70.18%0.0838%0.38CS..  trans-82.885176.1179.95.4000110.5R93 E98 G99 N100 G101 V103 Y140R93-D96 WeakPolarHBondContact O-CB 3.43Å; R93-D96 PolarHBondContact O-N 3.07Å; D96-E98 PolarHBondContact O-N 3.4Å; D96-E98 PolarHBondContact OD1-N 3.12Å; D96-G99 PolarHBondContact O-N 3.37Å; D96-G99 WeakPolarHBondContact OD1-CA 3.44Å; D96-G99 PolarHBondContact OD1-N 3.48Å; D96-G99 VanDerWaalsContact OD2-C 3.31Å; D96-G99 WeakPolarHBondContact OD2-CA 3.42Å; D96-N100 PolarHBondContact OD1-N 3.37Å; D96-N100 VanDerWaalsContact OD1-N 3.07Å; D96-N100 PolarHBondContact OD1-OD1 3.07Å; D96-N100 PolarHBondContact OD2-N 2.98Å; D96-N100 VanDerWaalsContact OD2-N 3.08Å; D96-G101 WeakPolarHBondContact OD2-CA 3.44Å; D96-G101 PolarHBondContact OD2-N 2.77Å; D96-V103 HydrophobicContact CB-CG1 4.39Å; D96-Y140 HydrophobicContact CB-CE1 3.76Å; D96-Y140 WeakPolarHBondContact OD2-CE1 3.49Å; D96-Y140 PolarHBondContact OD2-OH 3.43Å
97K89.8Confident95Very high171 Ų17167.1 Ų67.174%0.74337%0.366SS*.THydrogen-bonded Turntrans-66.4-24.7-177-64.1174.2-171.1156.10113.3F95 E107F95-K97 PolarHBondContact O-N 3.16Å; F95-K97 VanDerWaalsContact O-N 3.11Å; K97-E107 IonicContact NZ-OE1 3.75Å
98E91.9Very high95Very high165 Ų16562.6 Ų62.677%0.77134%0.342SS*.THydrogen-bonded Turntrans-97.6-12.3-175.8-61.4-170.5159.800112.6D96 N100D96-E98 PolarHBondContact O-N 3.4Å; D96-E98 PolarHBondContact OD1-N 3.12Å; E98-N100 VanDerWaalsContact C-N 3.27Å; E98-N100 HydrophobicContact CB-CB 4.35Å; E98-N100 PolarHBondContact O-N 2.91Å; E98-N100 PolarHBondContact OE2-ND2 3.19Å; E98-N100 VanDerWaalsContact OE2-ND2 3.07Å
99G94.3Very high95Very high64 Ų6460.5 Ų60.566%0.6633%0.331SS*.SBendtrans6728.9-17600000112.7D96D96-G99 PolarHBondContact O-N 3.37Å; D96-G99 WeakPolarHBondContact OD1-CA 3.44Å; D96-G99 PolarHBondContact OD1-N 3.48Å; D96-G99 VanDerWaalsContact OD2-C 3.31Å; D96-G99 WeakPolarHBondContact OD2-CA 3.42Å
100N94.6Very high94.9Very high84 Ų8466.1 Ų66.145%0.44936%0.357SS..SBendtrans-96.20.7-17370.314.1000113.2D96 E98 T102D96-N100 PolarHBondContact OD1-N 3.37Å; D96-N100 VanDerWaalsContact OD1-N 3.07Å; D96-N100 PolarHBondContact OD1-OD1 3.07Å; D96-N100 PolarHBondContact OD2-N 2.98Å; D96-N100 VanDerWaalsContact OD2-N 3.08Å; E98-N100 VanDerWaalsContact C-N 3.27Å; E98-N100 HydrophobicContact CB-CB 4.35Å; E98-N100 PolarHBondContact O-N 2.91Å; E98-N100 PolarHBondContact OE2-ND2 3.19Å; E98-N100 VanDerWaalsContact OE2-ND2 3.07Å; N100-T102 PolarHBondContact ND2-OG1 2.87Å; N100-T102 WeakPolarHBondContact OD1-CA 3.28Å; N100-T102 WeakPolarHBondContact OD1-CB 3.04Å; N100-T102 PolarHBondContact OD1-N 3.44Å; N100-T102 PolarHBondContact OD1-O 2.99Å; N100-T102 PolarHBondContact OD1-OG1 3.33Å
101G96.6Very high94.8Very high14 Ų1462.5 Ų62.514%0.14434%0.342CS..SBendtrans84.912.6-178.800000113.7D96 N139 Y140D96-G101 WeakPolarHBondContact OD2-CA 3.44Å; D96-G101 PolarHBondContact OD2-N 2.77Å; G101-N139 WeakPolarHBondContact O-CA 3.41Å; G101-N139 PolarHBondContact O-ND2 3.06Å; G101-Y140 VanDerWaalsContact CA-CE1 3.45Å; G101-Y140 WeakPolarHBondContact O-CD1 3.48Å; G101-Y140 WeakPolarHBondContact O-CE1 3.39Å
102T97.2Very high94.9Very high33 Ų3362.4 Ų62.420%0.20233%0.332CS..EExtended strand (participates in β ladder)trans-133155.3-178.672.10000113.3N100 I138N100-T102 PolarHBondContact ND2-OG1 2.87Å; N100-T102 WeakPolarHBondContact OD1-CA 3.28Å; N100-T102 WeakPolarHBondContact OD1-CB 3.04Å; N100-T102 PolarHBondContact OD1-N 3.44Å; N100-T102 PolarHBondContact OD1-O 2.99Å; N100-T102 PolarHBondContact OD1-OG1 3.33Å; T102-I138 CarbonylContact C-O 3.51Å; T102-I138 WeakPolarHBondContact CA-O 3.41Å; T102-I138 WeakPolarHBondContact CB-O 3.31Å
103V96.8Very high94.9Very high5 Ų563 Ų633%0.0334%0.341CS..EExtended strand (participates in β ladder)trans-127149.9171.7-64.70000109.7F95 D96 G105 L108 C137 I138 Y140F95-V103 HydrophobicContact CB-CG1 3.79Å; D96-V103 HydrophobicContact CB-CG1 4.39Å; V103-G105 PolarHBondContact O-N 2.96Å; V103-L108 HydrophobicContact CG2-CB 4.3Å; V103-L108 HydrophobicContact CG2-CD2 4.25Å; V103-C137 CarbonylContact O-C 3.52Å; V103-C137 WeakPolarHBondContact O-CA 3.48Å; V103-I138 HydrophobicContact CG2-CB 4.21Å; V103-I138 PolarHBondContact N-O 2.94Å; V103-I138 PolarHBondContact O-N 3.37Å; V103-Y140 HydrophobicContact CG1-CD1 4Å
104M96.5Very high94.8Very high115 Ų11561 Ų6157%0.56734%0.339SS*.EExtended strand (participates in β ladder)trans-65.7127.8172.6-69.9-174.566.900109.2A106 E107 L108M104-A106 PolarHBondContact O-N 3.25Å; M104-E107 HydrophobicContact CB-CB 4.14Å; M104-E107 WeakPolarHBondContact O-CA 3.46Å; M104-E107 WeakPolarHBondContact O-CB 3.3Å; M104-E107 PolarHBondContact O-N 3.37Å; M104-L108 PolarHBondContact O-N 3.45Å
105G96Very high94.7Very high0 Ų060.5 Ų60.50%033%0.332CS..Hα-helixtrans-62.4-29.9-17900000112.8V103 E107 L108 R109 M128 E132 G136V103-G105 PolarHBondContact O-N 2.96Å; G105-E107 VanDerWaalsContact C-N 3.35Å; G105-E107 PolarHBondContact O-N 3.5Å; G105-L108 PolarHBondContact O-N 3.3Å; G105-R109 WeakPolarHBondContact O-CG 3.36Å; G105-R109 PolarHBondContact O-N 2.91Å; G105-R109 PolarHBondContact O-NH1 2.89Å; G105-M128 WeakPolarHBondContact O-CE 3.39Å; G105-E132 VanDerWaalsContact CA-OE1 3.28Å; G105-E132 WeakPolarHBondContact CA-OE1 3.35Å; G105-G136 PolarHBondContact N-O 3.2Å
106A95.6Very high94.7Very high65 Ų6561.8 Ų61.854%0.53736%0.36SS..Hα-helixtrans-62.1-38.1170.700000113.3M104 H110M104-A106 PolarHBondContact O-N 3.25Å; A106-H110 PolarHBondContact O-N 2.92Å
107E94.3Very high94.7Very high53 Ų5364.9 Ų64.925%0.24837%0.374CS..Hα-helixtrans-69.3-42.9176.5-175.4164.4-160.600110.3F95 K97 M104 G105 R109 H110 V111F95-E107 HydrophobicContact CD1-CG 4.25Å; K97-E107 IonicContact NZ-OE1 3.75Å; M104-E107 HydrophobicContact CB-CB 4.14Å; M104-E107 WeakPolarHBondContact O-CA 3.46Å; M104-E107 WeakPolarHBondContact O-CB 3.3Å; M104-E107 PolarHBondContact O-N 3.37Å; G105-E107 VanDerWaalsContact C-N 3.35Å; G105-E107 PolarHBondContact O-N 3.5Å; E107-R109 PolarHBondContact O-N 3.3Å; E107-H110 WeakPolarHBondContact O-CB 3.33Å; E107-H110 PolarHBondContact O-N 3.33Å; E107-V111 WeakPolarHBondContact O-CG2 3.28Å; E107-V111 PolarHBondContact O-N 3.02Å
108L95.1Very high95Very high4 Ų463.7 Ų63.72%0.02137%0.368CS..Hα-helixtrans-63.8-42177.4-172.757000112.5L92 V103 M104 G105 H110 V111 L112 M128 I138 F143L92-L108 HydrophobicContact CD2-CD1 3.59Å; V103-L108 HydrophobicContact CG2-CB 4.3Å; V103-L108 HydrophobicContact CG2-CD2 4.25Å; M104-L108 PolarHBondContact O-N 3.45Å; G105-L108 PolarHBondContact O-N 3.3Å; L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-N 3.41Å; L108-V111 PolarHBondContact O-N 3.29Å; L108-L112 HydrophobicContact CD1-CD1 4.36Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.79Å; L108-M128 HydrophobicContact CB-CE 4.15Å; L108-M128 HydrophobicContact CD2-CE 4.2Å; L108-M128 HydrophobicContact CD2-SD 3.82Å; L108-M128 HydrophobicContact CG-CE 4.32Å; L108-M128 HydrophobicContact CG-SD 4.1Å; L108-I138 HydrophobicContact CD2-CD1 3.87Å; L108-I138 HydrophobicContact CD2-CG2 4.43Å; L108-F143 HydrophobicContact CD2-CD1 4.11Å; L108-F143 HydrophobicContact CD2-CE1 3.76Å; L108-F143 HydrophobicContact CD2-CZ 4Å
109R96.4Very high95.2Very high50 Ų5058.5 Ų58.519%0.18935%0.345CS..Hα-helixtrans-56.4-46.7172.7-71.2-175.5177.575.5-7.4111.7G105 E107 V111 L112 A113 V124 E125 M128 E132G105-R109 WeakPolarHBondContact O-CG 3.36Å; G105-R109 PolarHBondContact O-N 2.91Å; G105-R109 PolarHBondContact O-NH1 2.89Å; E107-R109 PolarHBondContact O-N 3.3Å; R109-V111 VanDerWaalsContact C-N 3.34Å; R109-V111 PolarHBondContact O-N 3.06Å; R109-L112 PolarHBondContact O-N 3.36Å; R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.81Å; R109-V124 HydrophobicContact CB-CG1 3.93Å; R109-V124 HydrophobicContact CG-CG1 3.69Å; R109-E125 WeakPolarHBondContact CD-OE1 3.44Å; R109-E125 IonicContact CZ-OE1 2.91Å; R109-E125 IonicContact CZ-OE2 3.21Å; R109-E125 IonicContact NE-OE1 2.63Å; R109-E125 PolarHBondContact NE-OE1 3.4Å; R109-E125 IonicContact NE-OE2 3.37Å; R109-E125 PolarHBondContact NE-OE2 3.09Å; R109-E125 IonicContact NH2-OE2 2.75Å; R109-M128 HydrophobicContact CG-CE 3.8Å; R109-M128 HydrophobicContact CG-CG 4.24Å; R109-E132 IonicContact CZ-OE1 3.62Å; R109-E132 IonicContact CZ-OE2 3.34Å; R109-E132 VanDerWaalsContact NH1-CD 3.31Å; R109-E132 IonicContact NH1-OE1 2.81Å; R109-E132 PolarHBondContact NH1-OE1 3.28Å; R109-E132 IonicContact NH1-OE2 3.86Å; R109-E132 IonicContact NH2-OE1 3.94Å; R109-E132 IonicContact NH2-OE2 3.5Å; R109-E132 PolarHBondContact NH2-OE2 3.37Å
110H95.2Very high95.2Very high123 Ų12361.3 Ų61.357%0.56934%0.339SS*.Hα-helixtrans-62.2-43.5-180-175.570.6000111.6A106 E107 L108 A113 T114A106-H110 PolarHBondContact O-N 2.92Å; E107-H110 WeakPolarHBondContact O-CB 3.33Å; E107-H110 PolarHBondContact O-N 3.33Å; L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-N 3.41Å; H110-A113 PolarHBondContact O-N 2.9Å; H110-T114 WeakPolarHBondContact O-CB 3.43Å; H110-T114 WeakPolarHBondContact O-CG2 3.36Å; H110-T114 PolarHBondContact O-N 3.07Å; H110-T114 VanDerWaalsContact O-N 3.09Å; H110-T114 PolarHBondContact O-OG1 2.96Å
111V94.1Very high95.3Very high22 Ų2264.7 Ų64.713%0.13335%0.352CS..Hα-helixtrans-59.6-51.4177.6166.30000111F95 E107 L108 R109 A113 T114 L115F95-V111 HydrophobicContact CD1-CG2 4.07Å; F95-V111 HydrophobicContact CE1-CG2 3.46Å; F95-V111 VanDerWaalsContact CE1-CG2 3.46Å; F95-V111 HydrophobicContact CE2-CG1 4.12Å; F95-V111 HydrophobicContact CE2-CG2 4.11Å; F95-V111 HydrophobicContact CZ-CB 4.37Å; F95-V111 HydrophobicContact CZ-CG1 3.94Å; F95-V111 HydrophobicContact CZ-CG2 3.48Å; F95-V111 VanDerWaalsContact CZ-CG2 3.48Å; E107-V111 WeakPolarHBondContact O-CG2 3.28Å; E107-V111 PolarHBondContact O-N 3.02Å; L108-V111 PolarHBondContact O-N 3.29Å; R109-V111 VanDerWaalsContact C-N 3.34Å; R109-V111 PolarHBondContact O-N 3.06Å; V111-A113 VanDerWaalsContact C-N 3.28Å; V111-A113 PolarHBondContact O-N 3.04Å; V111-T114 PolarHBondContact O-N 2.87Å; V111-L115 HydrophobicContact CG1-CD1 4.22Å; V111-L115 PolarHBondContact O-N 3.23Å
112L95.3Very high95.3Very high38 Ų3870.4 Ų70.420%0.19938%0.375CS..Hα-helixtrans-63.5-31.1-178.8-67170.3000113.3L108 R109 M119 V124 L127 M128L108-L112 HydrophobicContact CD1-CD1 4.36Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.79Å; R109-L112 PolarHBondContact O-N 3.36Å; L112-M119 HydrophobicContact CB-SD 4.27Å; L112-M119 HydrophobicContact CD2-SD 4.23Å; L112-M119 PolarHBondContact O-N 3.1Å; L112-M119 VanDerWaalsContact O-N 3.09Å; L112-V124 HydrophobicContact CB-CG2 3.92Å; L112-V124 HydrophobicContact CD1-CG1 4.39Å; L112-L127 HydrophobicContact CD1-CD2 4Å; L112-M128 HydrophobicContact CD1-SD 4.37Å
113A95.6Very high95.2Very high39 Ų3972.9 Ų72.932%0.32238%0.384SS..Hα-helixtrans-84.8-16.3178.600000114.1R109 H110 V111R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.81Å; H110-A113 PolarHBondContact O-N 2.9Å; V111-A113 VanDerWaalsContact C-N 3.28Å; V111-A113 PolarHBondContact O-N 3.04Å
114T93.4Very high95.2Very high55 Ų5572.8 Ų72.834%0.33738%0.383SS..Hα-helixtrans-120.6-30.3-170.562.10000115.7H110 V111 K118H110-T114 WeakPolarHBondContact O-CB 3.43Å; H110-T114 WeakPolarHBondContact O-CG2 3.36Å; H110-T114 PolarHBondContact O-N 3.07Å; H110-T114 VanDerWaalsContact O-N 3.09Å; H110-T114 PolarHBondContact O-OG1 2.96Å; V111-T114 PolarHBondContact O-N 2.87Å; T114-K118 VanDerWaalsContact O-CE 3.3Å; T114-K118 WeakPolarHBondContact O-CE 3.28Å
115L92.9Very high95.1Very high106 Ų10671.1 Ų71.156%0.55537%0.374SS*.SBendtrans-103.4147.2-175.7-62-177.8000111.7V111V111-L115 HydrophobicContact CG1-CD1 4.22Å; V111-L115 PolarHBondContact O-N 3.23Å
116G93.3Very high95.1Very high77 Ų7774.7 Ų74.779%0.79440%0.404SS*.SBendtrans63.5-134.4177.100000113.7K118G116-K118 PolarHBondContact O-N 3.34Å
117E93.4Very high95Very high80 Ų8073.5 Ų73.537%0.37439%0.388SS..SBendtrans-8194.8172.5-64.1-161.1159.600109.9T43 N44 A45 M119T43-E117 WeakPolarHBondContact CB-OE1 3.36Å; N44-E117 WeakPolarHBondContact CA-OE1 3.27Å; N44-E117 WeakPolarHBondContact CB-OE1 3.3Å; N44-E117 WeakPolarHBondContact CB-OE2 3.43Å; N44-E117 VanDerWaalsContact CG-OE2 3.28Å; N44-E117 PolarHBondContact N-OE1 2.92Å; N44-E117 PolarHBondContact N-OE2 2.98Å; N44-E117 PolarHBondContact ND2-OE2 3.27Å; A45-E117 PolarHBondContact N-OE1 2.66Å; E117-M119 PolarHBondContact O-N 2.81Å
118K95.9Very high95Very high145 Ų14571.1 Ų71.163%0.6338%0.377SS*.PPolyproline II helixtrans-58.7126.3-173.8-58.1179.9-175.3-175.70111.7T114 G116T114-K118 VanDerWaalsContact O-CE 3.3Å; T114-K118 WeakPolarHBondContact O-CE 3.28Å; G116-K118 PolarHBondContact O-N 3.34Å
119M95.9Very high95Very high56 Ų5674.1 Ų74.128%0.27640%0.402SS..PPolyproline II helixtrans-83.5150.8169.3-64.1177.170.700110.5L112 E117 E123 V124 L127L112-M119 HydrophobicContact CB-SD 4.27Å; L112-M119 HydrophobicContact CD2-SD 4.23Å; L112-M119 PolarHBondContact O-N 3.1Å; L112-M119 VanDerWaalsContact O-N 3.09Å; E117-M119 PolarHBondContact O-N 2.81Å; M119-E123 HydrophobicContact CB-CB 4.31Å; M119-E123 HydrophobicContact CE-CB 3.69Å; M119-V124 HydrophobicContact CB-CG2 3.58Å; M119-V124 HydrophobicContact SD-CG2 4.4Å; M119-L127 HydrophobicContact CE-CD2 4.07Å; M119-L127 HydrophobicContact SD-CD2 4.32Å
120K96.1Very high94.9Very high123 Ų12375.5 Ų75.554%0.53543%0.433SS..PPolyproline II helixtrans-73.3154.9168-60.1175.1-171.3163.80109.8E122 E123 V124K120-E122 HydrophobicContact CB-CG 3.98Å; K120-E122 HydrophobicContact CD-CG 4.36Å; K120-E122 VanDerWaalsContact CD-OE1 3.28Å; K120-E122 WeakPolarHBondContact CD-OE1 3.15Å; K120-E122 IonicContact NZ-OE1 3.58Å; K120-E122 PolarHBondContact O-N 3.23Å; K120-E123 HydrophobicContact CB-CG 4.17Å; K120-E123 PolarHBondContact N-OE2 2.9Å; K120-E123 WeakPolarHBondContact O-CB 3.43Å; K120-E123 PolarHBondContact O-N 3.27Å; K120-V124 WeakPolarHBondContact O-CG2 3.48Å; K120-V124 PolarHBondContact O-N 2.93Å
121E94.8Very high94.9Very high155 Ų15571.9 Ų71.972%0.72442%0.416SS*.Hα-helixtrans-52.8-43.1177.5-171.2174.4175.600112.3E123 V124 E125E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 2.84Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.99Å
122E97Very high95Very high134 Ų13474.2 Ų74.263%0.62643%0.425SS*.Hα-helixtrans-61.2-36.7176.765.5-169177.800113.7K120 A126K120-E122 HydrophobicContact CB-CG 3.98Å; K120-E122 HydrophobicContact CD-CG 4.36Å; K120-E122 VanDerWaalsContact CD-OE1 3.28Å; K120-E122 WeakPolarHBondContact CD-OE1 3.15Å; K120-E122 IonicContact NZ-OE1 3.58Å; K120-E122 PolarHBondContact O-N 3.23Å; E122-A126 WeakPolarHBondContact O-CB 3.5Å; E122-A126 PolarHBondContact O-N 3.31Å; E122-A126 VanDerWaalsContact O-N 3.12Å
123E95.5Very high95.1Very high85 Ų8576 Ų7640%0.39744%0.435SS..Hα-helixtrans-74-38.9178.9-61.9168.615000110.5M119 K120 E121 L127M119-E123 HydrophobicContact CB-CB 4.31Å; M119-E123 HydrophobicContact CE-CB 3.69Å; K120-E123 HydrophobicContact CB-CG 4.17Å; K120-E123 PolarHBondContact N-OE2 2.9Å; K120-E123 WeakPolarHBondContact O-CB 3.43Å; K120-E123 PolarHBondContact O-N 3.27Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 2.84Å; E123-L127 WeakPolarHBondContact O-CB 3.15Å; E123-L127 PolarHBondContact O-N 3.19Å
124V96.3Very high95Very high3 Ų379.8 Ų79.82%0.01846%0.46CS..Hα-helixtrans-64.7-47.9175.2175.10000110.5R109 L112 M119 K120 E121 A126 L127 M128R109-V124 HydrophobicContact CB-CG1 3.93Å; R109-V124 HydrophobicContact CG-CG1 3.69Å; L112-V124 HydrophobicContact CB-CG2 3.92Å; L112-V124 HydrophobicContact CD1-CG1 4.39Å; M119-V124 HydrophobicContact CB-CG2 3.58Å; M119-V124 HydrophobicContact SD-CG2 4.4Å; K120-V124 WeakPolarHBondContact O-CG2 3.48Å; K120-V124 PolarHBondContact O-N 2.93Å; E121-V124 PolarHBondContact O-N 2.88Å; V124-A126 VanDerWaalsContact C-N 3.32Å; V124-A126 PolarHBondContact O-N 3.23Å; V124-L127 PolarHBondContact O-N 2.8Å; V124-M128 HydrophobicContact CG1-CG 3.97Å; V124-M128 VanDerWaalsContact O-CB 3.31Å; V124-M128 WeakPolarHBondContact O-CB 3.39Å; V124-M128 WeakPolarHBondContact O-CG 3.33Å; V124-M128 PolarHBondContact O-N 2.9Å
125E95.6Very high95.1Very high81 Ų8183.3 Ų83.338%0.37948%0.476SS..Hα-helixtrans-63.3-38.7179.5-70.1-51.3138.100112.2R109 E121 L127 M128 A129R109-E125 WeakPolarHBondContact CD-OE1 3.44Å; R109-E125 IonicContact CZ-OE1 2.91Å; R109-E125 IonicContact CZ-OE2 3.21Å; R109-E125 IonicContact NE-OE1 2.63Å; R109-E125 PolarHBondContact NE-OE1 3.4Å; R109-E125 IonicContact NE-OE2 3.37Å; R109-E125 PolarHBondContact NE-OE2 3.09Å; R109-E125 IonicContact NH2-OE2 2.75Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.99Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.26Å; E125-M128 PolarHBondContact O-N 3.31Å; E125-A129 PolarHBondContact O-N 3.36Å; E125-A129 VanDerWaalsContact O-N 3.07Å
126A94.9Very high95.2Very high75 Ų7579.5 Ų79.562%0.6246%0.463SS*.Hα-helixtrans-61.8-42174.700000112.1E122 V124E122-A126 WeakPolarHBondContact O-CB 3.5Å; E122-A126 PolarHBondContact O-N 3.31Å; E122-A126 VanDerWaalsContact O-N 3.12Å; V124-A126 VanDerWaalsContact C-N 3.32Å; V124-A126 PolarHBondContact O-N 3.23Å
127L94.4Very high95.4Very high40 Ų4077.2 Ų77.221%0.20943%0.434CS..Hα-helixtrans-68.1-36.3178-177.763.1000112.7L112 M119 E123 V124 E125 F143 I147L112-L127 HydrophobicContact CD1-CD2 4Å; M119-L127 HydrophobicContact CE-CD2 4.07Å; M119-L127 HydrophobicContact SD-CD2 4.32Å; E123-L127 WeakPolarHBondContact O-CB 3.15Å; E123-L127 PolarHBondContact O-N 3.19Å; V124-L127 PolarHBondContact O-N 2.8Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.26Å; L127-F143 HydrophobicContact CD1-CE2 4.49Å; L127-F143 HydrophobicContact CD1-CZ 4.43Å; L127-F143 HydrophobicContact CD2-CZ 3.91Å; L127-F143 HydrophobicContact CG-CE2 4.11Å; L127-F143 HydrophobicContact CG-CZ 3.88Å; L127-I147 HydrophobicContact CD1-CD1 3.95Å; L127-I147 HydrophobicContact CD1-CG1 3.88Å; L127-I147 HydrophobicContact CD2-CD1 4.32Å; L127-I147 HydrophobicContact CG-CD1 4.49Å
128M94.3Very high95.6Very high2 Ų273.5 Ų73.51%0.0142%0.417CS..Hα-helixtrans-85.3-12.3-174-65-74.1-72.200113G105 L108 R109 L112 V124 E125 G130 Q131 I138 F143G105-M128 WeakPolarHBondContact O-CE 3.39Å; L108-M128 HydrophobicContact CB-CE 4.15Å; L108-M128 HydrophobicContact CD2-CE 4.2Å; L108-M128 HydrophobicContact CD2-SD 3.82Å; L108-M128 HydrophobicContact CG-CE 4.32Å; L108-M128 HydrophobicContact CG-SD 4.1Å; R109-M128 HydrophobicContact CG-CE 3.8Å; R109-M128 HydrophobicContact CG-CG 4.24Å; L112-M128 HydrophobicContact CD1-SD 4.37Å; V124-M128 HydrophobicContact CG1-CG 3.97Å; V124-M128 VanDerWaalsContact O-CB 3.31Å; V124-M128 WeakPolarHBondContact O-CB 3.39Å; V124-M128 WeakPolarHBondContact O-CG 3.33Å; V124-M128 PolarHBondContact O-N 2.9Å; E125-M128 PolarHBondContact O-N 3.31Å; M128-G130 PolarHBondContact O-N 3.02Å; M128-G130 VanDerWaalsContact O-N 3.16Å; M128-Q131 WeakPolarHBondContact O-CB 3.41Å; M128-Q131 PolarHBondContact O-N 3.14Å; M128-Q131 VanDerWaalsContact O-N 3.1Å; M128-I138 HydrophobicContact CE-CD1 3.09Å; M128-I138 HydrophobicContact SD-CD1 3.76Å; M128-F143 HydrophobicContact SD-CE2 4.18Å; M128-F143 HydrophobicContact SD-CZ 4.14Å
129A94.4Very high95.7Very high67 Ų6770.1 Ų70.155%0.55441%0.406SS*.THydrogen-bonded Turntrans-56118.9-178.800000111.8E125 Q131E125-A129 PolarHBondContact O-N 3.36Å; E125-A129 VanDerWaalsContact O-N 3.07Å; A129-Q131 VanDerWaalsContact C-N 3.29Å; A129-Q131 PolarHBondContact O-N 3.46Å
130G94.4Very high95.7Very high80 Ų8067.9 Ų67.983%0.82539%0.394SS*.THydrogen-bonded Turntrans76.27.9177.600000115.6M128M128-G130 PolarHBondContact O-N 3.02Å; M128-G130 VanDerWaalsContact O-N 3.16Å
131Q96.2Very high95.8Very high46 Ų4665.6 Ų65.622%0.21539%0.385CS..THydrogen-bonded Turntrans-91.4-21.9179.6-55.9-57.8-50.600113.2M128 A129 I138 F143 H146M128-Q131 WeakPolarHBondContact O-CB 3.41Å; M128-Q131 PolarHBondContact O-N 3.14Å; M128-Q131 VanDerWaalsContact O-N 3.1Å; A129-Q131 VanDerWaalsContact C-N 3.29Å; A129-Q131 PolarHBondContact O-N 3.46Å; Q131-I138 HydrophobicContact CB-CD1 4.37Å; Q131-I138 HydrophobicContact CB-CG1 4.47Å; Q131-I138 HydrophobicContact CB-CG2 4.49Å; Q131-F143 HydrophobicContact CB-CD2 4.13Å; Q131-F143 HydrophobicContact CB-CE2 4.48Å; Q131-F143 HydrophobicContact CG-CD2 3.79Å; Q131-F143 HydrophobicContact CG-CE2 3.97Å; Q131-H146 PolarHBondContact NE2-CD2 2.94Å; Q131-H146 VanDerWaalsContact NE2-CD2 3.32Å
132E96.6Very high95.9Very high71 Ų7160.6 Ų60.633%0.33237%0.371SS..  trans-81.9138.9-179.8-67.4-179.4134.900112.1G105 R109 C137 I138G105-E132 VanDerWaalsContact CA-OE1 3.28Å; G105-E132 WeakPolarHBondContact CA-OE1 3.35Å; R109-E132 IonicContact CZ-OE1 3.62Å; R109-E132 IonicContact CZ-OE2 3.34Å; R109-E132 VanDerWaalsContact NH1-CD 3.31Å; R109-E132 IonicContact NH1-OE1 2.81Å; R109-E132 PolarHBondContact NH1-OE1 3.28Å; R109-E132 IonicContact NH1-OE2 3.86Å; R109-E132 IonicContact NH2-OE1 3.94Å; R109-E132 IonicContact NH2-OE2 3.5Å; R109-E132 PolarHBondContact NH2-OE2 3.37Å; E132-C137 WeakPolarHBondContact CA-O 3.48Å; E132-I138 HydrophobicContact CG-CD1 3.87Å; E132-I138 HydrophobicContact CG-CG1 3.73Å
133D95.6Very high95.8Very high75 Ų7554.5 Ų54.540%0.40134%0.342SS..  trans-78.6-177.2169.176.34.7000112.1N135 G136 C137D133-N135 PolarHBondContact O-N 2.63Å; D133-N135 VanDerWaalsContact OD1-CA 3.3Å; D133-N135 WeakPolarHBondContact OD1-CA 3.45Å; D133-N135 WeakPolarHBondContact OD1-CB 3.44Å; D133-N135 PolarHBondContact OD1-N 2.86Å; D133-G136 PolarHBondContact O-N 3.44Å; D133-G136 PolarHBondContact OD1-N 3.48Å; D133-G136 VanDerWaalsContact OD1-N 3.1Å; D133-C137 PolarHBondContact N-O 2.91Å; D133-C137 PolarHBondContact OD1-N 2.93Å
134S95.4Very high95.9Very high120 Ų12050.8 Ų50.884%0.83933%0.325SS*.THydrogen-bonded Turntrans-62.2-15.117955.90000114.7
135N94.1Very high95.9Very high128 Ų12856.2 Ų56.268%0.68435%0.349SS*.THydrogen-bonded Turntrans-100.70.4179-54.6-47000112.3D133 C137D133-N135 PolarHBondContact O-N 2.63Å; D133-N135 VanDerWaalsContact OD1-CA 3.3Å; D133-N135 WeakPolarHBondContact OD1-CA 3.45Å; D133-N135 WeakPolarHBondContact OD1-CB 3.44Å; D133-N135 PolarHBondContact OD1-N 2.86Å; N135-C137 VanDerWaalsContact C-N 3.32Å
136G95.7Very high95.8Very high27 Ų2756 Ų5628%0.27835%0.347SS..SBendtrans75.421.9-174.600000113.2G105 D133G105-G136 PolarHBondContact N-O 3.2Å; D133-G136 PolarHBondContact O-N 3.44Å; D133-G136 PolarHBondContact OD1-N 3.48Å; D133-G136 VanDerWaalsContact OD1-N 3.1Å
137C96.8Very high95.7Very high29 Ų2955.5 Ų55.520%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-101.2151.5177-67.90000110.9V103 E132 D133 N135V103-C137 CarbonylContact O-C 3.52Å; V103-C137 WeakPolarHBondContact O-CA 3.48Å; E132-C137 WeakPolarHBondContact CA-O 3.48Å; D133-C137 PolarHBondContact N-O 2.91Å; D133-C137 PolarHBondContact OD1-N 2.93Å; N135-C137 VanDerWaalsContact C-N 3.32Å
138I97.4Very high95.5Very high1 Ų158.1 Ų58.11%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-122.2127.7-179.3-63.3175.4000108.8T102 V103 L108 M128 Q131 E132 Y140 F143T102-I138 CarbonylContact C-O 3.51Å; T102-I138 WeakPolarHBondContact CA-O 3.41Å; T102-I138 WeakPolarHBondContact CB-O 3.31Å; V103-I138 HydrophobicContact CG2-CB 4.21Å; V103-I138 PolarHBondContact N-O 2.94Å; V103-I138 PolarHBondContact O-N 3.37Å; L108-I138 HydrophobicContact CD2-CD1 3.87Å; L108-I138 HydrophobicContact CD2-CG2 4.43Å; M128-I138 HydrophobicContact CE-CD1 3.09Å; M128-I138 HydrophobicContact SD-CD1 3.76Å; Q131-I138 HydrophobicContact CB-CD1 4.37Å; Q131-I138 HydrophobicContact CB-CG1 4.47Å; Q131-I138 HydrophobicContact CB-CG2 4.49Å; E132-I138 HydrophobicContact CG-CD1 3.87Å; E132-I138 HydrophobicContact CG-CG1 3.73Å; I138-Y140 PolarHBondContact O-N 3.4Å; I138-F143 HydrophobicContact CG2-CB 3.82Å; I138-F143 HydrophobicContact CG2-CD2 4.29Å; I138-F143 HydrophobicContact CG2-CG 4.1Å
139N97.8Very high95.2Very high75 Ų7562.3 Ų62.340%0.40138%0.376SS..EExtended strand (participates in β ladder)trans-74.4107.4167.2-177.5-82.4000109.2G101 E141 A142 F143G101-N139 WeakPolarHBondContact O-CA 3.41Å; G101-N139 PolarHBondContact O-ND2 3.06Å; N139-E141 VanDerWaalsContact C-N 3.32Å; N139-E141 PolarHBondContact O-N 3.35Å; N139-E141 PolarHBondContact OD1-N 3.2Å; N139-A142 HydrophobicContact CB-CB 4.13Å; N139-A142 PolarHBondContact O-N 3.07Å; N139-A142 VanDerWaalsContact OD1-CB 3.3Å; N139-A142 WeakPolarHBondContact OD1-CB 3.43Å; N139-A142 PolarHBondContact OD1-N 3.21Å; N139-F143 WeakPolarHBondContact O-CB 3.42Å; N139-F143 PolarHBondContact O-N 3.49Å
140Y96.7Very high94Very high9 Ų966.5 Ų66.54%0.03539%0.387CS..Hα-helixtrans-69-28.6-171.453.3-100.4000113.2V89 L92 R93 D96 G101 V103 I138 F143 V144V89-Y140 HydrophobicContact CG1-CD2 4.06Å; V89-Y140 HydrophobicContact CG1-CE2 3.81Å; L92-Y140 HydrophobicContact CB-CD2 4.42Å; L92-Y140 HydrophobicContact CB-CG 4.15Å; R93-Y140 HydrophobicContact CB-CE2 4.44Å; D96-Y140 HydrophobicContact CB-CE1 3.76Å; D96-Y140 WeakPolarHBondContact OD2-CE1 3.49Å; D96-Y140 PolarHBondContact OD2-OH 3.43Å; G101-Y140 VanDerWaalsContact CA-CE1 3.45Å; G101-Y140 WeakPolarHBondContact O-CD1 3.48Å; G101-Y140 WeakPolarHBondContact O-CE1 3.39Å; V103-Y140 HydrophobicContact CG1-CD1 4Å; I138-Y140 PolarHBondContact O-N 3.4Å; Y140-F143 PolarHBondContact O-N 2.66Å; Y140-V144 VanDerWaalsContact O-CG2 3.28Å; Y140-V144 WeakPolarHBondContact O-CG2 3.4Å; Y140-V144 PolarHBondContact O-N 3.47Å
141E97.3Very high94Very high74 Ų7465.9 Ų65.935%0.34637%0.365SS..Hα-helixtrans-65.7-45.7173.9-73.8-169.5-160.400112.1Y85 V89 N139 F143 V144 K145Y85-E141 WeakPolarHBondContact OH-CB 3.43Å; Y85-E141 WeakPolarHBondContact OH-CG 3.37Å; V89-E141 HydrophobicContact CG1-CG 4.07Å; V89-E141 HydrophobicContact CG2-CG 4.19Å; N139-E141 VanDerWaalsContact C-N 3.32Å; N139-E141 PolarHBondContact O-N 3.35Å; N139-E141 PolarHBondContact OD1-N 3.2Å; E141-F143 VanDerWaalsContact C-N 3.33Å; E141-V144 PolarHBondContact O-N 3.45Å; E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.38Å
142A96.7Very high93.9Very high50 Ų5066.9 Ų66.941%0.41337%0.373SS..Hα-helixtrans-64.3-40.5175.400000111.2N139 K145 H146N139-A142 HydrophobicContact CB-CB 4.13Å; N139-A142 PolarHBondContact O-N 3.07Å; N139-A142 VanDerWaalsContact OD1-CB 3.3Å; N139-A142 WeakPolarHBondContact OD1-CB 3.43Å; N139-A142 PolarHBondContact OD1-N 3.21Å; A142-K145 PolarHBondContact O-N 3.5Å; A142-H146 WeakPolarHBondContact O-CB 3.39Å; A142-H146 PolarHBondContact O-N 2.95Å
143F96.6Very high93.7Very high7 Ų766.7 Ų66.73%0.03138%0.376CS..Hα-helixtrans-61.5-47.8176.3-178.2-109.9000112.3L92 L108 L127 M128 Q131 I138 N139 Y140 E141 K145 H146 I147L92-F143 HydrophobicContact CD1-CD1 4.08Å; L108-F143 HydrophobicContact CD2-CD1 4.11Å; L108-F143 HydrophobicContact CD2-CE1 3.76Å; L108-F143 HydrophobicContact CD2-CZ 4Å; L127-F143 HydrophobicContact CD1-CE2 4.49Å; L127-F143 HydrophobicContact CD1-CZ 4.43Å; L127-F143 HydrophobicContact CD2-CZ 3.91Å; L127-F143 HydrophobicContact CG-CE2 4.11Å; L127-F143 HydrophobicContact CG-CZ 3.88Å; M128-F143 HydrophobicContact SD-CE2 4.18Å; M128-F143 HydrophobicContact SD-CZ 4.14Å; Q131-F143 HydrophobicContact CB-CD2 4.13Å; Q131-F143 HydrophobicContact CB-CE2 4.48Å; Q131-F143 HydrophobicContact CG-CD2 3.79Å; Q131-F143 HydrophobicContact CG-CE2 3.97Å; I138-F143 HydrophobicContact CG2-CB 3.82Å; I138-F143 HydrophobicContact CG2-CD2 4.29Å; I138-F143 HydrophobicContact CG2-CG 4.1Å; N139-F143 WeakPolarHBondContact O-CB 3.42Å; N139-F143 PolarHBondContact O-N 3.49Å; Y140-F143 PolarHBondContact O-N 2.66Å; E141-F143 VanDerWaalsContact C-N 3.33Å; F143-K145 PolarHBondContact O-N 3.07Å; F143-H146 WeakPolarHBondContact O-CB 3.33Å; F143-H146 PolarHBondContact O-N 2.66Å; F143-I147 HydrophobicContact CD1-CD1 3.77Å; F143-I147 HydrophobicContact CD2-CD1 4.37Å; F143-I147 HydrophobicContact CE1-CD1 3.32Å; F143-I147 HydrophobicContact CE2-CD1 3.97Å; F143-I147 HydrophobicContact CG-CD1 4.3Å; F143-I147 HydrophobicContact CZ-CD1 3.46Å; F143-I147 VanDerWaalsContact CZ-CD1 3.46Å; F143-I147 HydrophobicContact CZ-CG1 4.45Å; F143-I147 WeakPolarHBondContact O-CG1 3.35Å; F143-I147 PolarHBondContact O-N 3.5Å
144V96.4Very high93.6Very high6 Ų666.2 Ų66.24%0.03637%0.374CS..Hα-helixtrans-62.1-43.6176.1173.40000110.8Y85 F88 V89 L92 Y140 E141 H146 I147 M148Y85-V144 HydrophobicContact CD2-CB 4.3Å; Y85-V144 HydrophobicContact CD2-CG1 3.49Å; Y85-V144 VanDerWaalsContact CD2-CG1 3.49Å; Y85-V144 HydrophobicContact CE2-CB 4.03Å; Y85-V144 HydrophobicContact CE2-CG1 3.74Å; F88-V144 HydrophobicContact CB-CG1 3.7Å; F88-V144 HydrophobicContact CB-CG2 3.87Å; F88-V144 HydrophobicContact CD2-CG1 4.42Å; F88-V144 HydrophobicContact CG-CG1 4.44Å; V89-V144 HydrophobicContact CG2-CB 4.28Å; V89-V144 HydrophobicContact CG2-CG1 4.37Å; V89-V144 HydrophobicContact CG2-CG2 4.27Å; L92-V144 HydrophobicContact CD1-CG2 3.7Å; Y140-V144 VanDerWaalsContact O-CG2 3.28Å; Y140-V144 WeakPolarHBondContact O-CG2 3.4Å; Y140-V144 PolarHBondContact O-N 3.47Å; E141-V144 PolarHBondContact O-N 3.45Å; V144-H146 VanDerWaalsContact C-N 3.3Å; V144-H146 PolarHBondContact O-N 3.2Å; V144-I147 PolarHBondContact O-N 3.08Å; V144-M148 HydrophobicContact CG1-CG 4.19Å; V144-M148 HydrophobicContact CG1-SD 3.72Å; V144-M148 WeakPolarHBondContact O-CB 3.35Å; V144-M148 WeakPolarHBondContact O-CG 3.37Å; V144-M148 PolarHBondContact O-N 3.07Å
145K95.8Very high93.5Very high118 Ų11862.8 Ų62.851%0.51335%0.345SS..Hα-helixtrans-59.2-42.1175.1-75.8174.3-174.91580112.1Y85 E141 A142 F143 S149Y85-K145 HydrophobicContact CD2-CG 4.31Å; Y85-K145 HydrophobicContact CE2-CD 4.43Å; Y85-K145 HydrophobicContact CE2-CG 3.6Å; Y85-K145 WeakPolarHBondContact OH-CE 3.34Å; E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.38Å; A142-K145 PolarHBondContact O-N 3.5Å; F143-K145 PolarHBondContact O-N 3.07Å; K145-S149 VanDerWaalsContact O-CB 3.29Å; K145-S149 WeakPolarHBondContact O-CB 3.48Å; K145-S149 PolarHBondContact O-N 2.79Å; K145-S149 VanDerWaalsContact O-N 3.15Å; K145-S149 PolarHBondContact O-OG 3.31Å
146H93.8Very high93.4Very high75 Ų7558.5 Ų58.535%0.34732%0.322SS..Hα-helixtrans-59.2-52.2177.1177.855.1000110.4Q131 A142 F143 V144 M148 S149 I150Q131-H146 PolarHBondContact NE2-CD2 2.94Å; Q131-H146 VanDerWaalsContact NE2-CD2 3.32Å; A142-H146 WeakPolarHBondContact O-CB 3.39Å; A142-H146 PolarHBondContact O-N 2.95Å; F143-H146 WeakPolarHBondContact O-CB 3.33Å; F143-H146 PolarHBondContact O-N 2.66Å; V144-H146 VanDerWaalsContact C-N 3.3Å; V144-H146 PolarHBondContact O-N 3.2Å; H146-M148 PolarHBondContact O-N 3.09Å; H146-S149 PolarHBondContact O-N 3.42Å; H146-S149 VanDerWaalsContact O-N 3.12Å; H146-S149 PolarHBondContact O-OG 2.96Å; H146-I150 WeakPolarHBondContact O-CG1 3.3Å; H146-I150 PolarHBondContact O-N 3.11Å
147I92.6Very high93.3Very high65 Ų6560.7 Ų60.733%0.33333%0.325SS..Hα-helixtrans-60.1-45.2-179.5-66.6173.2000112.1L127 F143 V144 S149 I150L127-I147 HydrophobicContact CD1-CD1 3.95Å; L127-I147 HydrophobicContact CD1-CG1 3.88Å; L127-I147 HydrophobicContact CD2-CD1 4.32Å; L127-I147 HydrophobicContact CG-CD1 4.49Å; F143-I147 HydrophobicContact CD1-CD1 3.77Å; F143-I147 HydrophobicContact CD2-CD1 4.37Å; F143-I147 HydrophobicContact CE1-CD1 3.32Å; F143-I147 HydrophobicContact CE2-CD1 3.97Å; F143-I147 HydrophobicContact CG-CD1 4.3Å; F143-I147 HydrophobicContact CZ-CD1 3.46Å; F143-I147 VanDerWaalsContact CZ-CD1 3.46Å; F143-I147 HydrophobicContact CZ-CG1 4.45Å; F143-I147 WeakPolarHBondContact O-CG1 3.35Å; F143-I147 PolarHBondContact O-N 3.5Å; V144-I147 PolarHBondContact O-N 3.08Å; I147-S149 PolarHBondContact O-N 3.37Å; I147-I150 PolarHBondContact O-N 3.09Å
148M91.1Very high93Very high95 Ų9563.2 Ų63.247%0.46834%0.335SS..Hα-helixtrans-73.9-7.2-178.8-64.4-17678.600113.8Y85 F88 V144 H146Y85-M148 HydrophobicContact CD2-SD 4.05Å; Y85-M148 HydrophobicContact CG-SD 4.5Å; F88-M148 HydrophobicContact CD2-SD 4.03Å; F88-M148 HydrophobicContact CE2-CE 4.48Å; F88-M148 HydrophobicContact CE2-SD 4.47Å; V144-M148 HydrophobicContact CG1-CG 4.19Å; V144-M148 HydrophobicContact CG1-SD 3.72Å; V144-M148 WeakPolarHBondContact O-CB 3.35Å; V144-M148 WeakPolarHBondContact O-CG 3.37Å; V144-M148 PolarHBondContact O-N 3.07Å; H146-M148 PolarHBondContact O-N 3.09Å
149S87.4Confident92.6Very high91 Ų9168.3 Ų68.364%0.63636%0.363SS*.Hα-helixtrans-98.7-9.8177.172.10000114.2K145 H146 I147K145-S149 VanDerWaalsContact O-CB 3.29Å; K145-S149 WeakPolarHBondContact O-CB 3.48Å; K145-S149 PolarHBondContact O-N 2.79Å; K145-S149 VanDerWaalsContact O-N 3.15Å; K145-S149 PolarHBondContact O-OG 3.31Å; H146-S149 PolarHBondContact O-N 3.42Å; H146-S149 VanDerWaalsContact O-N 3.12Å; H146-S149 PolarHBondContact O-OG 2.96Å; I147-S149 PolarHBondContact O-N 3.37Å
150I69.6Low92.2Very high155 Ų15567.7 Ų67.780%0.79536%0.359SS*.  trans-80.50174.3-62166.8000108.6H146 I147H146-I150 WeakPolarHBondContact O-CG1 3.3Å; H146-I150 PolarHBondContact O-N 3.11Å; I147-I150 PolarHBondContact O-N 3.09Å

Retrieved 150 of 150 residues in 49.5 ms (Link to these results)

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