A0A2R9CE66_PANPA Loading...

Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A2R9CE66, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene n/a, Length 246 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
1M91.1Very high91.2Very high28 Ų2881.5 Ų81.514%0.13846%0.458CS..  0-53.50-72.6-36.4-66.500115.3K3 L4 Q5 V9 F28 A31 M32 Y35 L64M1-K3 PolarHBondContact O-N 2.72Å; M1-L4 HydrophobicContact CE-CB 4.14Å; M1-L4 HydrophobicContact CE-CD1 4.09Å; M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 HydrophobicContact SD-CD1 3.92Å; M1-Q5 PolarHBondContact O-N 3.13Å; M1-V9 HydrophobicContact CB-CG2 4.36Å; M1-F28 HydrophobicContact CB-CD2 4.27Å; M1-F28 HydrophobicContact CB-CE2 4.34Å; M1-F28 HydrophobicContact CG-CD2 3.66Å; M1-F28 HydrophobicContact CG-CE2 3.58Å; M1-F28 HydrophobicContact CG-CZ 4.38Å; M1-F28 HydrophobicContact SD-CE2 4.15Å; M1-A31 HydrophobicContact CB-CB 3.87Å; M1-A31 HydrophobicContact CG-CB 3.71Å; M1-M32 HydrophobicContact CG-CG 4.27Å; M1-M32 HydrophobicContact SD-CG 4.07Å; M1-Y35 HydrophobicContact CE-CD1 4.2Å; M1-Y35 HydrophobicContact CE-CD2 3.79Å; M1-Y35 HydrophobicContact CE-CE2 4.4Å; M1-Y35 HydrophobicContact CE-CG 3.67Å; M1-L64 HydrophobicContact CE-CD1 4.24Å; M1-L64 HydrophobicContact SD-CD1 3.92Å; M1-L64 HydrophobicContact SD-CD2 3.68Å; M1-L64 HydrophobicContact SD-CG 4.41Å
2N93.2Very high91.5Very high58 Ų5883.8 Ų83.831%0.3147%0.466SS..THydrogen-bonded Turntrans-55.7-21.5-175.8-73-5.3000116.2Q5 P6 S8 V9N2-Q5 WeakPolarHBondContact CA-O 3.46Å; N2-Q5 CarbonylContact O-C 3.58Å; N2-P6 WeakPolarHBondContact O-CA 3.34Å; N2-S8 PolarHBondContact OD1-N 3.33Å; N2-V9 PolarHBondContact ND2-O 3.28Å; N2-V9 WeakPolarHBondContact OD1-CA 3.48Å; N2-V9 WeakPolarHBondContact OD1-CB 3.39Å; N2-V9 PolarHBondContact OD1-N 3.08Å; N2-V9 PolarHBondContact OD1-O 2.94Å
3K89.8Confident91.8Very high202 Ų20278.3 Ų78.388%0.87844%0.436SS*.THydrogen-bonded Turntrans-77.9-30.9172-66.5-65-172.6176.80113.7M1M1-K3 PolarHBondContact O-N 2.72Å
4L88Confident92Very high52 Ų5289.6 Ų89.627%0.27247%0.468SS..THydrogen-bonded Turntrans-84.4-35.8178.7-58.9179.8000111.8M1 Y35 L64 A68 L73M1-L4 HydrophobicContact CE-CB 4.14Å; M1-L4 HydrophobicContact CE-CD1 4.09Å; M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 HydrophobicContact SD-CD1 3.92Å; L4-Y35 HydrophobicContact CB-CE2 4.1Å; L4-L64 HydrophobicContact CD1-CD1 3.99Å; L4-L64 HydrophobicContact CD1-CD2 4.1Å; L4-L64 HydrophobicContact CD1-CG 3.98Å; L4-A68 HydrophobicContact CD1-CB 4.33Å; L4-A68 HydrophobicContact CD2-CB 4.01Å; L4-L73 HydrophobicContact CB-CD2 4.23Å; L4-L73 HydrophobicContact CD2-CD2 3.69Å
5Q89.1Confident92.2Very high71 Ų7186.7 Ų86.733%0.33246%0.459SS..SBendtrans-142.8109.4175.5178.5-178.38.300107.8M1 N2 G7 S8 Y35M1-Q5 PolarHBondContact O-N 3.13Å; N2-Q5 WeakPolarHBondContact CA-O 3.46Å; N2-Q5 CarbonylContact O-C 3.58Å; Q5-G7 PolarHBondContact O-N 2.92Å; Q5-S8 WeakPolarHBondContact CB-OG 3.49Å; Q5-S8 VanDerWaalsContact CD-OG 3.25Å; Q5-S8 WeakPolarHBondContact CG-OG 3.46Å; Q5-S8 PolarHBondContact O-N 3.2Å; Q5-S8 PolarHBondContact O-OG 3.13Å; Q5-S8 PolarHBondContact OE1-OG 3.39Å; Q5-Y35 HydrophobicContact CB-CD2 4.03Å; Q5-Y35 HydrophobicContact CB-CE2 4.06Å
6P91.4Very high92.2Very high115 Ų11592 Ų9275%0.74748%0.482SS*.THydrogen-bonded Turntrans-58.2137.4178.2-25.535.1000111.4N2 S8N2-P6 WeakPolarHBondContact O-CA 3.34Å; P6-S8 VanDerWaalsContact C-N 3.32Å; P6-S8 PolarHBondContact O-N 2.8Å
7G91.6Very high92.4Very high65 Ų6592.5 Ų92.567%0.6748%0.482SS*.THydrogen-bonded Turntrans79.41.1177.700000116.1Q5 V9Q5-G7 PolarHBondContact O-N 2.92Å; G7-V9 VanDerWaalsContact C-N 3.3Å; G7-V9 PolarHBondContact O-N 3.08Å
8S92.7Very high92.5Very high26 Ų2693.2 Ų93.218%0.18249%0.486CS..SBendtrans-62.6-33.4179.5-61.30000114.4N2 Q5 P6N2-S8 PolarHBondContact OD1-N 3.33Å; Q5-S8 WeakPolarHBondContact CB-OG 3.49Å; Q5-S8 VanDerWaalsContact CD-OG 3.25Å; Q5-S8 WeakPolarHBondContact CG-OG 3.46Å; Q5-S8 PolarHBondContact O-N 3.2Å; Q5-S8 PolarHBondContact O-OG 3.13Å; Q5-S8 PolarHBondContact OE1-OG 3.39Å; P6-S8 VanDerWaalsContact C-N 3.32Å; P6-S8 PolarHBondContact O-N 2.8Å
9V94.9Very high92.6Very high15 Ų1595.8 Ų95.89%0.09149%0.489CS..SBendtrans-120.5107.9175.7179.30000108M1 N2 G7 I12 N27 A31M1-V9 HydrophobicContact CB-CG2 4.36Å; N2-V9 PolarHBondContact ND2-O 3.28Å; N2-V9 WeakPolarHBondContact OD1-CA 3.48Å; N2-V9 WeakPolarHBondContact OD1-CB 3.39Å; N2-V9 PolarHBondContact OD1-N 3.08Å; N2-V9 PolarHBondContact OD1-O 2.94Å; G7-V9 VanDerWaalsContact C-N 3.3Å; G7-V9 PolarHBondContact O-N 3.08Å; V9-I12 HydrophobicContact CG1-CG1 4.17Å; V9-N27 HydrophobicContact CG1-CB 4.1Å; V9-A31 HydrophobicContact CG2-CB 3.91Å
10P89Confident92.8Very high124 Ų12492.6 Ų92.681%0.80547%0.472SS*.SBendtrans-71.8-37-170.824.7-32.6000113.3
11K92.4Very high92.9Very high141 Ų14191.9 Ų91.961%0.61347%0.467SS*.  trans-135.6137.1-178.8-173.8-177.8175.4-168.10110.3N13K11-N13 WeakPolarHBondContact CE-OD1 3.49Å
12I95.4Very high93.1Very high108 Ų10892.9 Ų92.955%0.55447%0.472SS*.  trans-115117.3174.9-57.6172.8000107.8V9V9-I12 HydrophobicContact CG1-CG1 4.17Å
13N95.5Very high93.2Very high13 Ų1393.9 Ų93.97%0.0748%0.475CS..  trans-79.4134.3177.9-58.4-45.8000109.9K11 H20 E23 N24K11-N13 WeakPolarHBondContact CE-OD1 3.49Å; N13-H20 HydrophobicContact CB-CB 3.79Å; N13-H20 PolarHBondContact ND2-CD2 3.08Å; N13-E23 PolarHBondContact ND2-OE2 2.67Å; N13-N24 PolarHBondContact N-OD1 3.35Å; N13-N24 PolarHBondContact O-ND2 3.3Å
14R94.1Very high93.5Very high237 Ų23786 Ų8689%0.89444%0.443SS*.  trans-111.1-0.5-178.5-63.3-170.9-179.5-155.11114.6
15S94.5Very high93.9Very high46 Ų4684.9 Ų84.932%0.32244%0.437SS..SBendtrans-72159.2179.891.10000111.4Q17 H20S15-Q17 PolarHBondContact O-N 3.16Å; S15-Q17 WeakPolarHBondContact OG-CB 3.41Å; S15-Q17 PolarHBondContact OG-N 3.09Å; S15-Q17 VanDerWaalsContact OG-N 3.16Å; S15-H20 PolarHBondContact OG-ND1 2.78Å
16M92.6Very high94.2Very high171 Ų17183.6 Ų83.684%0.84244%0.436SS*.SBendtrans-80.15.5174.3-63.9-175.769.300114.1
17Q95Very high94.4Very high101 Ų10179.7 Ų79.747%0.47241%0.409SS..  trans-73.3133.9-179.3-62.2178-21.500111.1S15 W19 H20 Q21S15-Q17 PolarHBondContact O-N 3.16Å; S15-Q17 WeakPolarHBondContact OG-CB 3.41Å; S15-Q17 PolarHBondContact OG-N 3.09Å; S15-Q17 VanDerWaalsContact OG-N 3.16Å; Q17-W19 VanDerWaalsContact C-N 3.34Å; Q17-W19 PolarHBondContact O-N 3.48Å; Q17-W19 VanDerWaalsContact OE1-CE2 3.22Å; Q17-W19 VanDerWaalsContact OE1-CZ2 3.27Å; Q17-H20 HydrophobicContact CB-CB 4.42Å; Q17-H20 WeakPolarHBondContact O-CB 3.06Å; Q17-H20 PolarHBondContact O-N 3.42Å; Q17-H20 VanDerWaalsContact O-N 3.08Å; Q17-H20 PolarHBondContact OE1-CE1 3.45Å; Q17-H20 PolarHBondContact OE1-ND1 3.39Å; Q17-H20 VanDerWaalsContact OE1-ND1 3.08Å; Q17-Q21 PolarHBondContact O-N 3.32Å
18N95.1Very high94.6Very high105 Ų10578.9 Ų78.956%0.56139%0.387SS*.Hα-helixtrans-54.2-45.8-175.9-65.23.8000113.2H20 Q21 L22 F49N18-H20 VanDerWaalsContact C-N 3.3Å; N18-H20 PolarHBondContact O-N 2.98Å; N18-Q21 WeakPolarHBondContact O-CB 3.4Å; N18-Q21 PolarHBondContact O-N 2.98Å; N18-Q21 VanDerWaalsContact O-N 3.1Å; N18-L22 PolarHBondContact O-N 2.78Å; N18-F49 HydrophobicContact CB-CE2 4.25Å; N18-F49 HydrophobicContact CB-CZ 3.73Å
19W94.7Very high94.8Very high143 Ų14379 Ų7954%0.54239%0.385SS..Hα-helixtrans-63.6-35.1-179.267.3-93.5000112.6Q17 Q21 L22 E23Q17-W19 VanDerWaalsContact C-N 3.34Å; Q17-W19 PolarHBondContact O-N 3.48Å; Q17-W19 VanDerWaalsContact OE1-CE2 3.22Å; Q17-W19 VanDerWaalsContact OE1-CZ2 3.27Å; W19-Q21 VanDerWaalsContact C-N 3.34Å; W19-L22 PolarHBondContact O-N 2.84Å; W19-E23 WeakPolarHBondContact O-CB 3.46Å; W19-E23 PolarHBondContact O-N 3.34Å
20H95.5Very high94.8Very high30 Ų3085 Ų8514%0.13941%0.41CS..Hα-helixtrans-67.3-35.5174.7-82.5140000111.9N13 S15 Q17 N18 N24N13-H20 HydrophobicContact CB-CB 3.79Å; N13-H20 PolarHBondContact ND2-CD2 3.08Å; S15-H20 PolarHBondContact OG-ND1 2.78Å; Q17-H20 HydrophobicContact CB-CB 4.42Å; Q17-H20 WeakPolarHBondContact O-CB 3.06Å; Q17-H20 PolarHBondContact O-N 3.42Å; Q17-H20 VanDerWaalsContact O-N 3.08Å; Q17-H20 PolarHBondContact OE1-CE1 3.45Å; Q17-H20 PolarHBondContact OE1-ND1 3.39Å; Q17-H20 VanDerWaalsContact OE1-ND1 3.08Å; N18-H20 VanDerWaalsContact C-N 3.3Å; N18-H20 PolarHBondContact O-N 2.98Å; H20-N24 PolarHBondContact O-N 2.57Å; H20-N24 VanDerWaalsContact O-N 3.17Å; H20-N24 PolarHBondContact O-ND2 2.97Å
21Q94.6Very high95.1Very high78 Ų7879.1 Ų79.136%0.36437%0.372SS..Hα-helixtrans-68.5-47.3175.5-64.7-179.9-1.800110.9Q17 N18 W19 E23 N24 L25 F49Q17-Q21 PolarHBondContact O-N 3.32Å; N18-Q21 WeakPolarHBondContact O-CB 3.4Å; N18-Q21 PolarHBondContact O-N 2.98Å; N18-Q21 VanDerWaalsContact O-N 3.1Å; W19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.39Å; Q21-N24 WeakPolarHBondContact O-CB 3.49Å; Q21-N24 PolarHBondContact O-N 2.72Å; Q21-N24 VanDerWaalsContact O-N 3.16Å; Q21-L25 PolarHBondContact O-N 3.43Å; Q21-L25 VanDerWaalsContact O-N 3.16Å; Q21-F49 HydrophobicContact CB-CD2 4.3Å; Q21-F49 HydrophobicContact CB-CE2 4.15Å
22L95.4Very high95.2Very high50 Ų5072.4 Ų72.426%0.26234%0.343SS..Hα-helixtrans-60.1-38175.2-74.8170.7000112.6N18 W19 L25 S26 A45 F49N18-L22 PolarHBondContact O-N 2.78Å; W19-L22 PolarHBondContact O-N 2.84Å; L22-L25 PolarHBondContact O-N 3.16Å; L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.32Å; L22-S26 PolarHBondContact O-OG 3.17Å; L22-A45 HydrophobicContact CD2-CB 4Å; L22-F49 HydrophobicContact CD1-CD1 4.47Å; L22-F49 HydrophobicContact CD1-CE1 4.42Å; L22-F49 HydrophobicContact CD2-CB 3.74Å; L22-F49 HydrophobicContact CD2-CD1 3.82Å; L22-F49 HydrophobicContact CD2-CD2 4.1Å; L22-F49 HydrophobicContact CD2-CG 3.6Å; L22-F49 HydrophobicContact CG-CD1 4.22Å; L22-F49 HydrophobicContact CG-CD2 4.15Å; L22-F49 HydrophobicContact CG-CE1 4.46Å; L22-F49 HydrophobicContact CG-CE2 4.38Å; L22-F49 HydrophobicContact CG-CG 4.08Å
23E95.8Very high95.1Very high78 Ų7871.1 Ų71.136%0.36434%0.34SS..Hα-helixtrans-63.3-41.9175.4-172.1-179-170.700111.7N13 W19 Q21 L25 S26 N27N13-E23 PolarHBondContact ND2-OE2 2.67Å; W19-E23 WeakPolarHBondContact O-CB 3.46Å; W19-E23 PolarHBondContact O-N 3.34Å; Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.39Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.42Å; E23-S26 PolarHBondContact O-N 2.97Å; E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 VanDerWaalsContact O-CG 3.22Å; E23-N27 PolarHBondContact O-N 3.16Å; E23-N27 PolarHBondContact O-ND2 3.48Å
24N96.3Very high95Very high38 Ų3874.1 Ų74.120%0.20336%0.362CS..Hα-helixtrans-60.5-42.1175.7-72.2-27.4000112N13 H20 Q21 N27 F28N13-N24 PolarHBondContact N-OD1 3.35Å; N13-N24 PolarHBondContact O-ND2 3.3Å; H20-N24 PolarHBondContact O-N 2.57Å; H20-N24 VanDerWaalsContact O-N 3.17Å; H20-N24 PolarHBondContact O-ND2 2.97Å; Q21-N24 WeakPolarHBondContact O-CB 3.49Å; Q21-N24 PolarHBondContact O-N 2.72Å; Q21-N24 VanDerWaalsContact O-N 3.16Å; N24-N27 PolarHBondContact O-N 2.98Å; N24-F28 WeakPolarHBondContact O-CB 3.34Å; N24-F28 PolarHBondContact O-N 3.46Å
25L95.9Very high94.9Very high28 Ų2863 Ų6315%0.14732%0.32CS..Hα-helixtrans-66-45.9177.5-61.4-176.2000111.3Q21 L22 E23 N27 F28 I29 A45 L48 F49Q21-L25 PolarHBondContact O-N 3.43Å; Q21-L25 VanDerWaalsContact O-N 3.16Å; L22-L25 PolarHBondContact O-N 3.16Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.42Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 2.74Å; L25-F28 WeakPolarHBondContact O-CB 3.07Å; L25-F28 PolarHBondContact O-N 3.38Å; L25-F28 VanDerWaalsContact O-N 3.1Å; L25-I29 WeakPolarHBondContact O-CG1 3.26Å; L25-I29 PolarHBondContact O-N 3.49Å; L25-A45 HydrophobicContact CB-CB 4.03Å; L25-A45 HydrophobicContact CD1-CB 4.42Å; L25-A45 VanDerWaalsContact CD1-O 3.26Å; L25-A45 WeakPolarHBondContact CD1-O 3.18Å; L25-L48 HydrophobicContact CD1-CB 4.17Å; L25-L48 HydrophobicContact CD1-CD2 4.43Å; L25-L48 HydrophobicContact CD1-CG 4.49Å; L25-L48 HydrophobicContact CD2-CD2 3.69Å; L25-F49 HydrophobicContact CD1-CB 4.03Å
26S95.3Very high94.8Very high44 Ų4462.3 Ų62.331%0.30832%0.32SS..Hα-helixtrans-58.9-42.2176.9-60.50000111.8L22 E23 I29 K30L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.32Å; L22-S26 PolarHBondContact O-OG 3.17Å; E23-S26 PolarHBondContact O-N 2.97Å; S26-I29 PolarHBondContact O-N 2.96Å; S26-K30 WeakPolarHBondContact O-CB 3.4Å; S26-K30 VanDerWaalsContact O-CG 3.27Å; S26-K30 WeakPolarHBondContact O-CG 3.44Å; S26-K30 PolarHBondContact O-N 3.47Å
27N96.1Very high94.7Very high33 Ų3354.8 Ų54.818%0.17628%0.283CS..Hα-helixtrans-67.7-36176.6-71.5-22.9000112.2V9 E23 N24 L25 A31V9-N27 HydrophobicContact CG1-CB 4.1Å; E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 VanDerWaalsContact O-CG 3.22Å; E23-N27 PolarHBondContact O-N 3.16Å; E23-N27 PolarHBondContact O-ND2 3.48Å; N24-N27 PolarHBondContact O-N 2.98Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 2.74Å; N27-A31 WeakPolarHBondContact O-CB 3.22Å; N27-A31 PolarHBondContact O-N 3.1Å
28F96.3Very high94.5Very high48 Ų4854 Ų5421%0.21128%0.282CS..Hα-helixtrans-64.8-47.2174.4-178.8-100.8000112M1 N24 L25 K30 A31 M32 F43 L61 L64M1-F28 HydrophobicContact CB-CD2 4.27Å; M1-F28 HydrophobicContact CB-CE2 4.34Å; M1-F28 HydrophobicContact CG-CD2 3.66Å; M1-F28 HydrophobicContact CG-CE2 3.58Å; M1-F28 HydrophobicContact CG-CZ 4.38Å; M1-F28 HydrophobicContact SD-CE2 4.15Å; N24-F28 WeakPolarHBondContact O-CB 3.34Å; N24-F28 PolarHBondContact O-N 3.46Å; L25-F28 WeakPolarHBondContact O-CB 3.07Å; L25-F28 PolarHBondContact O-N 3.38Å; L25-F28 VanDerWaalsContact O-N 3.1Å; F28-K30 PolarHBondContact O-N 2.92Å; F28-A31 WeakPolarHBondContact O-CB 3.18Å; F28-A31 PolarHBondContact O-N 3.35Å; F28-A31 VanDerWaalsContact O-N 3.14Å; F28-M32 HydrophobicContact CD1-CG 4.33Å; F28-M32 HydrophobicContact CD1-SD 3.72Å; F28-M32 HydrophobicContact CE1-CG 4.06Å; F28-M32 HydrophobicContact CE1-SD 3.18Å; F28-M32 WeakPolarHBondContact CE1-SD 3.33Å; F28-M32 HydrophobicContact CZ-CG 4.29Å; F28-M32 HydrophobicContact CZ-SD 3.78Å; F28-M32 WeakPolarHBondContact O-CG 3.5Å; F28-M32 PolarHBondContact O-N 3.03Å; F28-F43 AromaticContact CD1-CE1 3.87Å; F28-F43 HydrophobicContact CD1-CE1 3.87Å; F28-F43 AromaticContact CD1-CZ 3.81Å; F28-F43 HydrophobicContact CD1-CZ 3.81Å; F28-F43 AromaticContact CE1-CE1 3.78Å; F28-F43 HydrophobicContact CE1-CE1 3.78Å; F28-F43 HydrophobicContact CE1-CZ 4.07Å; F28-L61 HydrophobicContact CE1-CD2 4.43Å; F28-L61 HydrophobicContact CZ-CD2 4.12Å; F28-L64 HydrophobicContact CZ-CD2 4.11Å
29I95.6Very high94.3Very high27 Ų2754.1 Ų54.114%0.13829%0.288CS..Hα-helixtrans-61.9-45.2178.9-64.4158.9000110.4L25 S26 A31 M32 V33 L42 F43 A45L25-I29 WeakPolarHBondContact O-CG1 3.26Å; L25-I29 PolarHBondContact O-N 3.49Å; S26-I29 PolarHBondContact O-N 2.96Å; I29-A31 VanDerWaalsContact C-N 3.28Å; I29-A31 PolarHBondContact O-N 3.37Å; I29-M32 WeakPolarHBondContact O-CB 3.16Å; I29-M32 PolarHBondContact O-N 3.47Å; I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3Å; I29-L42 HydrophobicContact CG2-CD1 4.49Å; I29-F43 HydrophobicContact CD1-CD2 4.42Å; I29-F43 HydrophobicContact CD1-CE2 4.11Å; I29-F43 HydrophobicContact CD1-CZ 4.3Å; I29-F43 WeakPolarHBondContact CD1-O 3.46Å; I29-F43 HydrophobicContact CG1-CE1 4.11Å; I29-F43 HydrophobicContact CG1-CE2 4.24Å; I29-F43 HydrophobicContact CG1-CZ 3.94Å; I29-A45 HydrophobicContact CD1-CB 4.49Å
30K95.2Very high94.2Very high141 Ų14152.7 Ų52.761%0.61330%0.295SS*.Hα-helixtrans-57.3-40.8174-73.3172.1-175.2175.60112.3S26 F28 M32 V33 S34S26-K30 WeakPolarHBondContact O-CB 3.4Å; S26-K30 VanDerWaalsContact O-CG 3.27Å; S26-K30 WeakPolarHBondContact O-CG 3.44Å; S26-K30 PolarHBondContact O-N 3.47Å; F28-K30 PolarHBondContact O-N 2.92Å; K30-M32 VanDerWaalsContact C-N 3.34Å; K30-V33 PolarHBondContact O-N 3.38Å; K30-S34 PolarHBondContact O-N 3.27Å; K30-S34 VanDerWaalsContact O-N 3.09Å; K30-S34 PolarHBondContact O-OG 3.11Å
31A95.7Very high94.1Very high2 Ų252.9 Ų52.92%0.01730%0.297CS..Hα-helixtrans-68.4-30.4176.100000113.1M1 V9 N27 F28 I29 S34 Y35M1-A31 HydrophobicContact CB-CB 3.87Å; M1-A31 HydrophobicContact CG-CB 3.71Å; V9-A31 HydrophobicContact CG2-CB 3.91Å; N27-A31 WeakPolarHBondContact O-CB 3.22Å; N27-A31 PolarHBondContact O-N 3.1Å; F28-A31 WeakPolarHBondContact O-CB 3.18Å; F28-A31 PolarHBondContact O-N 3.35Å; F28-A31 VanDerWaalsContact O-N 3.14Å; I29-A31 VanDerWaalsContact C-N 3.28Å; I29-A31 PolarHBondContact O-N 3.37Å; A31-S34 WeakPolarHBondContact CA-OG 3.31Å; A31-S34 PolarHBondContact O-OG 3.48Å; A31-S34 VanDerWaalsContact O-OG 3.06Å; A31-Y35 VanDerWaalsContact O-CB 3.31Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 3.34Å
32M94.5Very high94.1Very high0 Ų050.6 Ų50.60%029%0.287CS..Hα-helixtrans-69.3-40.9173.4-71.9-177.966.400111.9M1 F28 I29 K30 Y35 G36 M37 L42 F43 S60 L64M1-M32 HydrophobicContact CG-CG 4.27Å; M1-M32 HydrophobicContact SD-CG 4.07Å; F28-M32 HydrophobicContact CD1-CG 4.33Å; F28-M32 HydrophobicContact CD1-SD 3.72Å; F28-M32 HydrophobicContact CE1-CG 4.06Å; F28-M32 HydrophobicContact CE1-SD 3.18Å; F28-M32 WeakPolarHBondContact CE1-SD 3.33Å; F28-M32 HydrophobicContact CZ-CG 4.29Å; F28-M32 HydrophobicContact CZ-SD 3.78Å; F28-M32 WeakPolarHBondContact O-CG 3.5Å; F28-M32 PolarHBondContact O-N 3.03Å; I29-M32 WeakPolarHBondContact O-CB 3.16Å; I29-M32 PolarHBondContact O-N 3.47Å; K30-M32 VanDerWaalsContact C-N 3.34Å; M32-Y35 WeakPolarHBondContact O-CB 3.39Å; M32-Y35 PolarHBondContact O-N 3.19Å; M32-G36 PolarHBondContact O-N 3.44Å; M32-M37 HydrophobicContact CB-CB 4.4Å; M32-M37 HydrophobicContact CB-CG 4.03Å; M32-M37 HydrophobicContact CE-CE 3.65Å; M32-M37 HydrophobicContact CE-CG 4.04Å; M32-M37 HydrophobicContact CE-SD 4.37Å; M32-M37 WeakPolarHBondContact O-CB 3.47Å; M32-M37 WeakPolarHBondContact O-CG 3.37Å; M32-M37 PolarHBondContact O-N 3.34Å; M32-L42 HydrophobicContact CB-CD2 3.8Å; M32-L42 HydrophobicContact CE-CD2 4.21Å; M32-F43 HydrophobicContact SD-CE1 4.21Å; M32-S60 WeakPolarHBondContact CE-OG 3.46Å; M32-L64 HydrophobicContact CE-CB 4.01Å; M32-L64 HydrophobicContact CE-CD1 4.47Å; M32-L64 HydrophobicContact CE-CD2 4.17Å; M32-L64 HydrophobicContact CE-CG 4.45Å; M32-L64 HydrophobicContact CG-CD2 4.37Å; M32-L64 HydrophobicContact SD-CD2 4.36Å
33V94.3Very high94.1Very high80 Ų8048.5 Ų48.549%0.48528%0.276SS..Hα-helixtrans-58.9-50.7173.9176.10000110.5I29 K30 Y35 G36 L42I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3Å; K30-V33 PolarHBondContact O-N 3.38Å; V33-Y35 PolarHBondContact O-N 3.45Å; V33-G36 PolarHBondContact O-N 3.37Å; V33-L42 HydrophobicContact CG2-CD1 3.42Å; V33-L42 VanDerWaalsContact CG2-CD1 3.42Å; V33-L42 HydrophobicContact CG2-CD2 4.36Å
34S92.9Very high94.1Very high77 Ų7751 Ų5154%0.53829%0.288SS..Hα-helixtrans-66-24178.767.40000113.1K30 A31 G36K30-S34 PolarHBondContact O-N 3.27Å; K30-S34 VanDerWaalsContact O-N 3.09Å; K30-S34 PolarHBondContact O-OG 3.11Å; A31-S34 WeakPolarHBondContact CA-OG 3.31Å; A31-S34 PolarHBondContact O-OG 3.48Å; A31-S34 VanDerWaalsContact O-OG 3.06Å; S34-G36 PolarHBondContact O-N 3.34Å
35Y92.1Very high94.1Very high4 Ų450 Ų502%0.01629%0.285CS..THydrogen-bonded Turntrans-72.9-12.2172.5-160.8-110.1000113.4M1 L4 Q5 A31 M32 V33 L64 K67 A68 K71M1-Y35 HydrophobicContact CE-CD1 4.2Å; M1-Y35 HydrophobicContact CE-CD2 3.79Å; M1-Y35 HydrophobicContact CE-CE2 4.4Å; M1-Y35 HydrophobicContact CE-CG 3.67Å; L4-Y35 HydrophobicContact CB-CE2 4.1Å; Q5-Y35 HydrophobicContact CB-CD2 4.03Å; Q5-Y35 HydrophobicContact CB-CE2 4.06Å; A31-Y35 VanDerWaalsContact O-CB 3.31Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 3.34Å; M32-Y35 WeakPolarHBondContact O-CB 3.39Å; M32-Y35 PolarHBondContact O-N 3.19Å; V33-Y35 PolarHBondContact O-N 3.45Å; Y35-L64 HydrophobicContact CD1-CD1 3.8Å; Y35-L64 HydrophobicContact CE1-CD1 4.14Å; Y35-K67 HydrophobicContact CD1-CG 4.23Å; Y35-K67 HydrophobicContact CE1-CG 4.27Å; Y35-A68 HydrophobicContact CE1-CB 4.42Å; Y35-K71 HydrophobicContact CE1-CD 4.21Å; Y35-K71 HydrophobicContact CE2-CD 3.92Å; Y35-K71 PolarHBondContact O-NZ 3.18Å
36G91.1Very high94Very high31 Ų3152.3 Ų52.332%0.3230%0.297SS..THydrogen-bonded Turntrans93.427.7177.600000114.1M32 V33 S34 K67M32-G36 PolarHBondContact O-N 3.44Å; V33-G36 PolarHBondContact O-N 3.37Å; S34-G36 PolarHBondContact O-N 3.34Å; G36-K67 WeakPolarHBondContact O-CE 3.34Å; G36-K67 PolarHBondContact O-NZ 3.04Å
37M92.2Very high94Very high13 Ų1351.2 Ų51.26%0.06429%0.288CS..  trans-70.9147.3167.7-68.7-72.8-63.400110.5M32 D41 L42 A63 L64 K67M32-M37 HydrophobicContact CB-CB 4.4Å; M32-M37 HydrophobicContact CB-CG 4.03Å; M32-M37 HydrophobicContact CE-CE 3.65Å; M32-M37 HydrophobicContact CE-CG 4.04Å; M32-M37 HydrophobicContact CE-SD 4.37Å; M32-M37 WeakPolarHBondContact O-CB 3.47Å; M32-M37 WeakPolarHBondContact O-CG 3.37Å; M32-M37 PolarHBondContact O-N 3.34Å; M37-D41 HydrophobicContact CE-CB 3.92Å; M37-L42 HydrophobicContact CB-CD2 4.02Å; M37-A63 HydrophobicContact CE-CB 3.6Å; M37-L64 HydrophobicContact CE-CB 4.21Å; M37-L64 HydrophobicContact CG-CD1 4.22Å; M37-L64 VanDerWaalsContact SD-CA 3.54Å; M37-L64 HydrophobicContact SD-CB 4.04Å; M37-L64 HydrophobicContact SD-CD1 4.07Å; M37-K67 HydrophobicContact SD-CB 4Å; M37-K67 HydrophobicContact SD-CG 4.36Å
38N89.8Confident94Very high84 Ų8453 Ų5345%0.44930%0.297SS..  trans-75.3146.6174.7-62-34.6000110.3V40 D41N38-V40 HydrophobicContact CB-CG2 3.95Å; N38-V40 PolarHBondContact O-N 3.36Å; N38-D41 WeakPolarHBondContact CB-OD2 3.32Å; N38-D41 PolarHBondContact ND2-OD2 2.76Å; N38-D41 PolarHBondContact O-N 3.2Å
39P91.1Very high93.9Very high107 Ų10753.5 Ų53.570%0.69530%0.299SS*.G310 helixtrans-57.8-32.9179.1-26.134.7000114.3D41 L42P39-D41 PolarHBondContact O-N 3.48Å; P39-L42 WeakPolarHBondContact O-CB 3.47Å; P39-L42 PolarHBondContact O-N 3.22Å
40V91.9Very high93.9Very high114 Ų11458.4 Ų58.469%0.69132%0.322SS*.G310 helixtrans-67.6-24.9178.6-60.90000113.2N38 L42 Q56N38-V40 HydrophobicContact CB-CG2 3.95Å; N38-V40 PolarHBondContact O-N 3.36Å; V40-L42 VanDerWaalsContact C-N 3.33Å; V40-Q56 PolarHBondContact O-NE2 2.91Å; V40-Q56 VanDerWaalsContact O-NE2 3.16Å
41D93.1Very high93.8Very high33 Ų3356 Ų5618%0.17632%0.322CS..G310 helixtrans-92.95.3-179-59.9-41.1000111.5M37 N38 P39 S60 A63M37-D41 HydrophobicContact CE-CB 3.92Å; N38-D41 WeakPolarHBondContact CB-OD2 3.32Å; N38-D41 PolarHBondContact ND2-OD2 2.76Å; N38-D41 PolarHBondContact O-N 3.2Å; P39-D41 PolarHBondContact O-N 3.48Å; D41-S60 VanDerWaalsContact O-CA 3.23Å; D41-S60 WeakPolarHBondContact O-CA 3.25Å; D41-S60 WeakPolarHBondContact O-CB 3.06Å; D41-S60 PolarHBondContact O-OG 2.98Å; D41-A63 HydrophobicContact CB-CB 4.1Å
42L95.3Very high93.8Very high30 Ų3058.9 Ų58.916%0.15735%0.352CS..PPolyproline II helixtrans-90.9149.5178.2-59.6170.9000110.4I29 M32 V33 M37 P39 V40 Q56I29-L42 HydrophobicContact CG2-CD1 4.49Å; M32-L42 HydrophobicContact CB-CD2 3.8Å; M32-L42 HydrophobicContact CE-CD2 4.21Å; V33-L42 HydrophobicContact CG2-CD1 3.42Å; V33-L42 VanDerWaalsContact CG2-CD1 3.42Å; V33-L42 HydrophobicContact CG2-CD2 4.36Å; M37-L42 HydrophobicContact CB-CD2 4.02Å; P39-L42 WeakPolarHBondContact O-CB 3.47Å; P39-L42 PolarHBondContact O-N 3.22Å; V40-L42 VanDerWaalsContact C-N 3.33Å; L42-Q56 PolarHBondContact O-NE2 3.49Å
43F96.7Very high93.8Very high7 Ų761.9 Ų61.93%0.03137%0.368CS..PPolyproline II helixtrans-103159.6168.571.7-80.3000109.6F28 I29 M32 D47 L48 Q56 V57F28-F43 AromaticContact CD1-CE1 3.87Å; F28-F43 HydrophobicContact CD1-CE1 3.87Å; F28-F43 AromaticContact CD1-CZ 3.81Å; F28-F43 HydrophobicContact CD1-CZ 3.81Å; F28-F43 AromaticContact CE1-CE1 3.78Å; F28-F43 HydrophobicContact CE1-CE1 3.78Å; F28-F43 HydrophobicContact CE1-CZ 4.07Å; I29-F43 HydrophobicContact CD1-CD2 4.42Å; I29-F43 HydrophobicContact CD1-CE2 4.11Å; I29-F43 HydrophobicContact CD1-CZ 4.3Å; I29-F43 WeakPolarHBondContact CD1-O 3.46Å; I29-F43 HydrophobicContact CG1-CE1 4.11Å; I29-F43 HydrophobicContact CG1-CE2 4.24Å; I29-F43 HydrophobicContact CG1-CZ 3.94Å; M32-F43 HydrophobicContact SD-CE1 4.21Å; F43-D47 WeakPolarHBondContact CA-OD2 3.1Å; F43-D47 HydrophobicContact CB-CB 4.31Å; F43-D47 HydrophobicContact CD2-CB 4.34Å; F43-L48 HydrophobicContact CD2-CB 4.48Å; F43-L48 HydrophobicContact CE2-CB 4.17Å; F43-Q56 HydrophobicContact CB-CB 4.33Å; F43-Q56 HydrophobicContact CB-CG 3.79Å; F43-V57 HydrophobicContact CB-CG2 4.08Å; F43-V57 HydrophobicContact CD2-CG2 3.74Å; F43-V57 HydrophobicContact CE2-CG2 4.41Å; F43-V57 HydrophobicContact CG-CB 4.44Å; F43-V57 HydrophobicContact CG-CG2 3.93Å
44E95.1Very high93.8Very high130 Ų13061.9 Ų61.961%0.60736%0.364SS*.PPolyproline II helixtrans-89.9156.5174.6-60.8-169.9167.400111.6N46 D47E44-N46 PolarHBondContact O-N 2.89Å; E44-N46 VanDerWaalsContact O-N 3.15Å; E44-D47 PolarHBondContact N-OD2 3.28Å; E44-D47 VanDerWaalsContact O-CB 3.32Å; E44-D47 WeakPolarHBondContact O-CB 3.45Å; E44-D47 PolarHBondContact O-N 3.02Å
45A94.9Very high93.9Very high17 Ų1762.6 Ų62.614%0.1437%0.365CS..Hα-helixtrans-57.9-34.8-179.600000112.7L22 L25 I29 D47 F49L22-A45 HydrophobicContact CD2-CB 4Å; L25-A45 HydrophobicContact CB-CB 4.03Å; L25-A45 HydrophobicContact CD1-CB 4.42Å; L25-A45 VanDerWaalsContact CD1-O 3.26Å; L25-A45 WeakPolarHBondContact CD1-O 3.18Å; I29-A45 HydrophobicContact CD1-CB 4.49Å; A45-D47 VanDerWaalsContact C-N 3.34Å; A45-F49 WeakPolarHBondContact O-CB 3.27Å; A45-F49 PolarHBondContact O-N 3.32Å
46N94.5Very high94Very high76 Ų7664.7 Ų64.741%0.40638%0.375SS..Hα-helixtrans-71.1-28.2179.4-63.3-20.6000112.8E44 L48 F49 E50E44-N46 PolarHBondContact O-N 2.89Å; E44-N46 VanDerWaalsContact O-N 3.15Å; N46-L48 PolarHBondContact O-N 3.04Å; N46-F49 PolarHBondContact O-N 3.14Å; N46-E50 PolarHBondContact O-N 3.33Å
47D95.8Very high94.3Very high22 Ų2263.6 Ų63.612%0.11836%0.362CS..Hα-helixtrans-57.2-36.6179.7-68.3-22.7000111.8F43 E44 A45 S51 G52 N53 V57F43-D47 WeakPolarHBondContact CA-OD2 3.1Å; F43-D47 HydrophobicContact CB-CB 4.31Å; F43-D47 HydrophobicContact CD2-CB 4.34Å; E44-D47 PolarHBondContact N-OD2 3.28Å; E44-D47 VanDerWaalsContact O-CB 3.32Å; E44-D47 WeakPolarHBondContact O-CB 3.45Å; E44-D47 PolarHBondContact O-N 3.02Å; A45-D47 VanDerWaalsContact C-N 3.34Å; D47-S51 CarbonylContact O-C 3.4Å; D47-S51 WeakPolarHBondContact O-CA 3.4Å; D47-G52 PolarHBondContact O-N 3.29Å; D47-G52 VanDerWaalsContact O-N 3.15Å; D47-N53 HydrophobicContact CB-CB 4.07Å; D47-N53 PolarHBondContact O-N 2.86Å; D47-N53 WeakPolarHBondContact OD1-CB 3.33Å; D47-V57 HydrophobicContact CB-CG2 3.99Å
48L95.8Very high94.3Very high69 Ų6968.4 Ų68.436%0.36139%0.385SS..Hα-helixtrans-95.8-40.2176.4-175.358.8000112.7L25 F43 N46 S51 M54 V57L25-L48 HydrophobicContact CD1-CB 4.17Å; L25-L48 HydrophobicContact CD1-CD2 4.43Å; L25-L48 HydrophobicContact CD1-CG 4.49Å; L25-L48 HydrophobicContact CD2-CD2 3.69Å; F43-L48 HydrophobicContact CD2-CB 4.48Å; F43-L48 HydrophobicContact CE2-CB 4.17Å; N46-L48 PolarHBondContact O-N 3.04Å; L48-S51 PolarHBondContact O-N 2.95Å; L48-M54 HydrophobicContact CD1-CE 3.77Å; L48-M54 HydrophobicContact CD1-SD 3.72Å; L48-V57 HydrophobicContact CB-CG2 3.96Å; L48-V57 HydrophobicContact CD1-CG1 4.36Å; L48-V57 HydrophobicContact CD1-CG2 4.49Å
49F95.3Very high94.5Very high59 Ų5967.7 Ų67.726%0.25938%0.383SS..Hα-helixtrans-67.7-42.8-174.3-178.6-103.1000112.8N18 Q21 L22 L25 A45 N46N18-F49 HydrophobicContact CB-CE2 4.25Å; N18-F49 HydrophobicContact CB-CZ 3.73Å; Q21-F49 HydrophobicContact CB-CD2 4.3Å; Q21-F49 HydrophobicContact CB-CE2 4.15Å; L22-F49 HydrophobicContact CD1-CD1 4.47Å; L22-F49 HydrophobicContact CD1-CE1 4.42Å; L22-F49 HydrophobicContact CD2-CB 3.74Å; L22-F49 HydrophobicContact CD2-CD1 3.82Å; L22-F49 HydrophobicContact CD2-CD2 4.1Å; L22-F49 HydrophobicContact CD2-CG 3.6Å; L22-F49 HydrophobicContact CG-CD1 4.22Å; L22-F49 HydrophobicContact CG-CD2 4.15Å; L22-F49 HydrophobicContact CG-CE1 4.46Å; L22-F49 HydrophobicContact CG-CE2 4.38Å; L22-F49 HydrophobicContact CG-CG 4.08Å; L25-F49 HydrophobicContact CD1-CB 4.03Å; A45-F49 WeakPolarHBondContact O-CB 3.27Å; A45-F49 PolarHBondContact O-N 3.32Å; N46-F49 PolarHBondContact O-N 3.14Å
50E95Very high94.7Very high131 Ų13162.6 Ų62.661%0.61235%0.35SS*.SBendtrans-101.26.1178-54.6-171.116300111.7N46 G52N46-E50 PolarHBondContact O-N 3.33Å; E50-G52 PolarHBondContact O-N 3.07Å
51S93.3Very high94.8Very high90 Ų9061.1 Ų61.163%0.62934%0.338SS*.  trans54.632.1-171.634.80000113.3D47 L48D47-S51 CarbonylContact O-C 3.4Å; D47-S51 WeakPolarHBondContact O-CA 3.4Å; L48-S51 PolarHBondContact O-N 2.95Å
52G94.6Very high94.7Very high62 Ų6264.3 Ų64.364%0.63935%0.354SS*.SBendtrans-64.9-38.4-17800000114D47 E50D47-G52 PolarHBondContact O-N 3.29Å; D47-G52 VanDerWaalsContact O-N 3.15Å; E50-G52 PolarHBondContact O-N 3.07Å
53N94.6Very high94.5Very high64 Ų6463.4 Ų63.434%0.34235%0.351SS..  trans-150.473.9-179.5-168.5-9.7000112D47 T55 Q56 V57D47-N53 HydrophobicContact CB-CB 4.07Å; D47-N53 PolarHBondContact O-N 2.86Å; D47-N53 WeakPolarHBondContact OD1-CB 3.33Å; N53-T55 PolarHBondContact O-N 3.3Å; N53-T55 PolarHBondContact OD1-N 3.48Å; N53-Q56 HydrophobicContact CB-CB 4.28Å; N53-Q56 PolarHBondContact O-N 3.48Å; N53-Q56 PolarHBondContact OD1-N 2.91Å; N53-V57 PolarHBondContact O-N 3.1Å
54M94.6Very high94.2Very high80 Ų8063.6 Ų63.639%0.39435%0.352SS..Hα-helixtrans-60.9-26.4177.7-70.3-56.6-50.700113.5L48 V57 Q58L48-M54 HydrophobicContact CD1-CE 3.77Å; L48-M54 HydrophobicContact CD1-SD 3.72Å; M54-V57 PolarHBondContact O-N 3.24Å; M54-Q58 WeakPolarHBondContact O-CG 3.44Å; M54-Q58 PolarHBondContact O-N 3.47Å
55T94.8Very high93.9Very high92 Ų9258.7 Ų58.756%0.56433%0.334SS*.Hα-helixtrans-64.6-45.2176.6-52.40000111N53 V57 Q58 V59N53-T55 PolarHBondContact O-N 3.3Å; N53-T55 PolarHBondContact OD1-N 3.48Å; T55-V57 VanDerWaalsContact C-N 3.3Å; T55-V57 PolarHBondContact O-N 2.92Å; T55-Q58 PolarHBondContact O-N 3.35Å; T55-V59 HydrophobicContact CG2-CG2 4.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.23Å; T55-V59 PolarHBondContact O-N 2.89Å
56Q95.1Very high93.5Very high47 Ų4757.9 Ų57.922%0.2233%0.328CS..Hα-helixtrans-62-39.3176.7-172.3632500111.5V40 L42 F43 N53 Q58 V59 S60V40-Q56 PolarHBondContact O-NE2 2.91Å; V40-Q56 VanDerWaalsContact O-NE2 3.16Å; L42-Q56 PolarHBondContact O-NE2 3.49Å; F43-Q56 HydrophobicContact CB-CB 4.33Å; F43-Q56 HydrophobicContact CB-CG 3.79Å; N53-Q56 HydrophobicContact CB-CB 4.28Å; N53-Q56 PolarHBondContact O-N 3.48Å; N53-Q56 PolarHBondContact OD1-N 2.91Å; Q56-Q58 PolarHBondContact O-N 3.49Å; Q56-V59 PolarHBondContact O-N 3.05Å; Q56-S60 VanDerWaalsContact O-CB 3.25Å; Q56-S60 WeakPolarHBondContact O-CB 3.19Å; Q56-S60 PolarHBondContact O-N 2.92Å
57V96.5Very high93.2Very high8 Ų857.1 Ų57.15%0.04832%0.321CS..Hα-helixtrans-60.3-46.4175.1-1770000110.8F43 D47 L48 N53 M54 T55 S60 L61F43-V57 HydrophobicContact CB-CG2 4.08Å; F43-V57 HydrophobicContact CD2-CG2 3.74Å; F43-V57 HydrophobicContact CE2-CG2 4.41Å; F43-V57 HydrophobicContact CG-CB 4.44Å; F43-V57 HydrophobicContact CG-CG2 3.93Å; D47-V57 HydrophobicContact CB-CG2 3.99Å; L48-V57 HydrophobicContact CB-CG2 3.96Å; L48-V57 HydrophobicContact CD1-CG1 4.36Å; L48-V57 HydrophobicContact CD1-CG2 4.49Å; N53-V57 PolarHBondContact O-N 3.1Å; M54-V57 PolarHBondContact O-N 3.24Å; T55-V57 VanDerWaalsContact C-N 3.3Å; T55-V57 PolarHBondContact O-N 2.92Å; V57-S60 PolarHBondContact O-N 3.34Å; V57-L61 HydrophobicContact CG1-CD1 4.28Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 3.4Å; V57-L61 VanDerWaalsContact O-N 3.08Å
58Q93.6Very high92.8Very high115 Ų11556.5 Ų56.554%0.53732%0.318SS..Hα-helixtrans-61.9-49.7177.9-73.2176.9-1700111.6M54 T55 Q56 S60 L61 L62M54-Q58 WeakPolarHBondContact O-CG 3.44Å; M54-Q58 PolarHBondContact O-N 3.47Å; T55-Q58 PolarHBondContact O-N 3.35Å; Q56-Q58 PolarHBondContact O-N 3.49Å; Q58-S60 VanDerWaalsContact C-N 3.29Å; Q58-S60 PolarHBondContact O-N 3.22Å; Q58-L61 PolarHBondContact O-N 3.16Å; Q58-L61 VanDerWaalsContact O-N 3.16Å; Q58-L62 WeakPolarHBondContact O-CD1 3.37Å; Q58-L62 PolarHBondContact O-N 2.89Å
59V93.6Very high92.2Very high68 Ų6854.8 Ų54.841%0.41231%0.308SS..Hα-helixtrans-57.6-44.3178.5171.60000110.8T55 Q56 L61 L62 A63T55-V59 HydrophobicContact CG2-CG2 4.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.23Å; T55-V59 PolarHBondContact O-N 2.89Å; Q56-V59 PolarHBondContact O-N 3.05Å; V59-L61 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.08Å; V59-L62 PolarHBondContact O-N 2.92Å; V59-A63 WeakPolarHBondContact O-CB 3.32Å; V59-A63 PolarHBondContact O-N 3.48Å
60S94.9Very high91.5Very high0 Ų053.7 Ų53.70%031%0.306CS..Hα-helixtrans-59.9-42177.8-163.20000112.7M32 D41 Q56 V57 Q58 A63 L64M32-S60 WeakPolarHBondContact CE-OG 3.46Å; D41-S60 VanDerWaalsContact O-CA 3.23Å; D41-S60 WeakPolarHBondContact O-CA 3.25Å; D41-S60 WeakPolarHBondContact O-CB 3.06Å; D41-S60 PolarHBondContact O-OG 2.98Å; Q56-S60 VanDerWaalsContact O-CB 3.25Å; Q56-S60 WeakPolarHBondContact O-CB 3.19Å; Q56-S60 PolarHBondContact O-N 2.92Å; V57-S60 PolarHBondContact O-N 3.34Å; Q58-S60 VanDerWaalsContact C-N 3.29Å; Q58-S60 PolarHBondContact O-N 3.22Å; S60-A63 PolarHBondContact O-N 2.9Å; S60-L64 VanDerWaalsContact O-CB 3.32Å; S60-L64 WeakPolarHBondContact O-CB 3.43Å; S60-L64 PolarHBondContact O-N 3.2Å
61L93.4Very high90.8Very high83 Ų8352.6 Ų52.644%0.43530%0.3SS..Hα-helixtrans-68.7-38176.8-69173.4000112.5F28 V57 Q58 V59 L64 A65F28-L61 HydrophobicContact CE1-CD2 4.43Å; F28-L61 HydrophobicContact CZ-CD2 4.12Å; V57-L61 HydrophobicContact CG1-CD1 4.28Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 3.4Å; V57-L61 VanDerWaalsContact O-N 3.08Å; Q58-L61 PolarHBondContact O-N 3.16Å; Q58-L61 VanDerWaalsContact O-N 3.16Å; V59-L61 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.08Å; L61-L64 PolarHBondContact O-N 3.36Å; L61-A65 PolarHBondContact O-N 3.42Å
62L91.4Very high89.9Confident100 Ų10051 Ų5152%0.52430%0.298SS..Hα-helixtrans-64.4-45.2174.1-89.588000111.5Q58 V59 L64 A65 G66Q58-L62 WeakPolarHBondContact O-CD1 3.37Å; Q58-L62 PolarHBondContact O-N 2.89Å; V59-L62 PolarHBondContact O-N 2.92Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.41Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 2.6Å; L62-G66 PolarHBondContact O-N 3.06Å
63A90.3Very high88.8Confident11 Ų1151 Ų519%0.09128%0.282CS..Hα-helixtrans-62.7-39.8176.600000111.4M37 D41 V59 S60 A65 G66 K67M37-A63 HydrophobicContact CE-CB 3.6Å; D41-A63 HydrophobicContact CB-CB 4.1Å; V59-A63 WeakPolarHBondContact O-CB 3.32Å; V59-A63 PolarHBondContact O-N 3.48Å; S60-A63 PolarHBondContact O-N 2.9Å; A63-A65 PolarHBondContact O-N 3.4Å; A63-G66 PolarHBondContact O-N 3.19Å; A63-K67 WeakPolarHBondContact O-CB 3.1Å; A63-K67 PolarHBondContact O-N 3.19Å
64L91.3Very high87.1Confident11 Ų1157 Ų576%0.05831%0.308CS..Hα-helixtrans-62.4-41.3174.3179.863.6000112.2M1 L4 F28 M32 Y35 M37 S60 L61 L62 K67 A68M1-L64 HydrophobicContact CE-CD1 4.24Å; M1-L64 HydrophobicContact SD-CD1 3.92Å; M1-L64 HydrophobicContact SD-CD2 3.68Å; M1-L64 HydrophobicContact SD-CG 4.41Å; L4-L64 HydrophobicContact CD1-CD1 3.99Å; L4-L64 HydrophobicContact CD1-CD2 4.1Å; L4-L64 HydrophobicContact CD1-CG 3.98Å; F28-L64 HydrophobicContact CZ-CD2 4.11Å; M32-L64 HydrophobicContact CE-CB 4.01Å; M32-L64 HydrophobicContact CE-CD1 4.47Å; M32-L64 HydrophobicContact CE-CD2 4.17Å; M32-L64 HydrophobicContact CE-CG 4.45Å; M32-L64 HydrophobicContact CG-CD2 4.37Å; M32-L64 HydrophobicContact SD-CD2 4.36Å; Y35-L64 HydrophobicContact CD1-CD1 3.8Å; Y35-L64 HydrophobicContact CE1-CD1 4.14Å; M37-L64 HydrophobicContact CE-CB 4.21Å; M37-L64 HydrophobicContact CG-CD1 4.22Å; M37-L64 VanDerWaalsContact SD-CA 3.54Å; M37-L64 HydrophobicContact SD-CB 4.04Å; M37-L64 HydrophobicContact SD-CD1 4.07Å; S60-L64 VanDerWaalsContact O-CB 3.32Å; S60-L64 WeakPolarHBondContact O-CB 3.43Å; S60-L64 PolarHBondContact O-N 3.2Å; L61-L64 PolarHBondContact O-N 3.36Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.41Å; L64-K67 PolarHBondContact O-N 3.2Å; L64-A68 WeakPolarHBondContact O-CB 3.32Å; L64-A68 PolarHBondContact O-N 2.98Å
65A88.8Confident85.6Confident27 Ų2756.6 Ų56.622%0.22331%0.313CS..Hα-helixtrans-62.2-44.8175.300000111.4L61 L62 A63 K67 A68 K69 I79L61-A65 PolarHBondContact O-N 3.42Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 2.6Å; A63-A65 PolarHBondContact O-N 3.4Å; A65-K67 PolarHBondContact O-N 3.4Å; A65-A68 PolarHBondContact O-N 3.19Å; A65-K69 PolarHBondContact O-N 3.15Å; A65-I79 HydrophobicContact CB-CB 4.38Å; A65-I79 HydrophobicContact CB-CG2 4.13Å; A65-I79 WeakPolarHBondContact CB-O 3.49Å
66G86.8Confident83.9Confident1 Ų156.5 Ų56.51%0.0133%0.331CS..Hα-helixtrans-59.7-43173.700000112.9L62 A63 K69 T70 V81L62-G66 PolarHBondContact O-N 3.06Å; A63-G66 PolarHBondContact O-N 3.19Å; G66-K69 WeakPolarHBondContact O-CB 3.5Å; G66-K69 PolarHBondContact O-N 3.44Å; G66-T70 PolarHBondContact O-N 3.2Å; G66-V81 WeakPolarHBondContact CA-O 3.49Å
67K87.5Confident82.5Confident60 Ų6058.7 Ų58.726%0.26135%0.347SS..Hα-helixtrans-67.9-35.2177.1-163.978.6-176.1-154.70113Y35 G36 M37 A63 L64 A65 K69 T70 K71Y35-K67 HydrophobicContact CD1-CG 4.23Å; Y35-K67 HydrophobicContact CE1-CG 4.27Å; G36-K67 WeakPolarHBondContact O-CE 3.34Å; G36-K67 PolarHBondContact O-NZ 3.04Å; M37-K67 HydrophobicContact SD-CB 4Å; M37-K67 HydrophobicContact SD-CG 4.36Å; A63-K67 WeakPolarHBondContact O-CB 3.1Å; A63-K67 PolarHBondContact O-N 3.19Å; L64-K67 PolarHBondContact O-N 3.2Å; A65-K67 PolarHBondContact O-N 3.4Å; K67-K69 VanDerWaalsContact C-N 3.31Å; K67-K69 PolarHBondContact O-N 3.36Å; K67-T70 PolarHBondContact O-N 3.05Å; K67-T70 PolarHBondContact O-OG1 3.15Å; K67-K71 PolarHBondContact O-N 3.49Å
68A87.4Confident80.9Confident8 Ų865.2 Ų65.27%0.06638%0.382CS..Hα-helixtrans-64.2-38.7175.800000111.4L4 Y35 L64 A65 T70 K71 L73L4-A68 HydrophobicContact CD1-CB 4.33Å; L4-A68 HydrophobicContact CD2-CB 4.01Å; Y35-A68 HydrophobicContact CE1-CB 4.42Å; L64-A68 WeakPolarHBondContact O-CB 3.32Å; L64-A68 PolarHBondContact O-N 2.98Å; A65-A68 PolarHBondContact O-N 3.19Å; A68-T70 VanDerWaalsContact C-N 3.35Å; A68-T70 PolarHBondContact O-N 3.38Å; A68-K71 PolarHBondContact O-N 3.06Å; A68-L73 PolarHBondContact O-N 3.41Å
69K84Confident79.5Confident34 Ų3464.1 Ų64.115%0.14838%0.379CS..Hα-helixtrans-62.5-38.1175.6-70.8-177.8-177.5175.90113A65 G66 K67 K71 G72 D78 I79 G80A65-K69 PolarHBondContact O-N 3.15Å; G66-K69 WeakPolarHBondContact O-CB 3.5Å; G66-K69 PolarHBondContact O-N 3.44Å; K67-K69 VanDerWaalsContact C-N 3.31Å; K67-K69 PolarHBondContact O-N 3.36Å; K69-K71 PolarHBondContact O-N 3.42Å; K69-G72 PolarHBondContact O-N 2.94Å; K69-G72 VanDerWaalsContact O-N 3.11Å; K69-D78 WeakPolarHBondContact CE-OD1 3.46Å; K69-D78 VanDerWaalsContact NZ-C 3.3Å; K69-D78 IonicContact NZ-OD1 2.65Å; K69-D78 PolarHBondContact NZ-OD1 3.28Å; K69-I79 WeakPolarHBondContact CE-O 3.49Å; K69-I79 VanDerWaalsContact NZ-C 3.27Å; K69-I79 PolarHBondContact NZ-O 2.79Å; K69-G80 PolarHBondContact NZ-O 3.26Å
70T79.3Confident78Confident36 Ų3662.3 Ų62.322%0.22137%0.374CS..Hα-helixtrans-64.9-29.4177.759.40000112.5G66 K67 A68 G72 K82 Y83G66-T70 PolarHBondContact O-N 3.2Å; K67-T70 PolarHBondContact O-N 3.05Å; K67-T70 PolarHBondContact O-OG1 3.15Å; A68-T70 VanDerWaalsContact C-N 3.35Å; A68-T70 PolarHBondContact O-N 3.38Å; T70-G72 PolarHBondContact O-N 3.33Å; T70-K82 HydrophobicContact CG2-CG 3.94Å; T70-Y83 HydrophobicContact CG2-CD2 4.4Å; T70-Y83 WeakPolarHBondContact CG2-O 3.45Å
71K82Confident76.7Confident108 Ų10868.4 Ų68.447%0.4741%0.41SS..THydrogen-bonded Turntrans-82.49.1176-70.6-170173.3176.80113.9Y35 K67 A68 K69 L73Y35-K71 HydrophobicContact CE1-CD 4.21Å; Y35-K71 HydrophobicContact CE2-CD 3.92Å; Y35-K71 PolarHBondContact O-NZ 3.18Å; K67-K71 PolarHBondContact O-N 3.49Å; A68-K71 PolarHBondContact O-N 3.06Å; K69-K71 PolarHBondContact O-N 3.42Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 HydrophobicContact CB-CD1 3.96Å; K71-L73 PolarHBondContact O-N 2.8Å
72G72.9Confident75.4Confident57 Ų5770.4 Ų70.459%0.58842%0.416SS*.THydrogen-bonded Turntrans79.611.2175.900000114.6K69 T70 Q74K69-G72 PolarHBondContact O-N 2.94Å; K69-G72 VanDerWaalsContact O-N 3.11Å; T70-G72 PolarHBondContact O-N 3.33Å; G72-Q74 PolarHBondContact O-N 3.09Å; G72-Q74 VanDerWaalsContact O-N 3.09Å
73L72Confident74.1Confident60 Ų6070.9 Ų70.931%0.31441%0.411SS..  trans-75.1101.7171.4-76.283.4000108.9L4 A68 K71 S75L4-L73 HydrophobicContact CB-CD2 4.23Å; L4-L73 HydrophobicContact CD2-CD2 3.69Å; A68-L73 PolarHBondContact O-N 3.41Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 HydrophobicContact CB-CD1 3.96Å; K71-L73 PolarHBondContact O-N 2.8Å; L73-S75 PolarHBondContact O-N 3.03Å; L73-S75 VanDerWaalsContact O-N 3.08Å
74Q59.9Low72.5Confident191 Ų19176.3 Ų76.389%0.89345%0.449SS*.  trans-73.194.2173.8-67.9-97.1-8.700108.9G72G72-Q74 PolarHBondContact O-N 3.09Å; G72-Q74 VanDerWaalsContact O-N 3.09Å
75S61.8Low71.1Confident71 Ų7183.2 Ų83.250%0.49748%0.48SS..  trans-74.8133.5164.1161.30000108.6L73 V77L73-S75 PolarHBondContact O-N 3.03Å; L73-S75 VanDerWaalsContact O-N 3.08Å; S75-V77 PolarHBondContact O-N 3.43Å; S75-V77 VanDerWaalsContact O-N 3.13Å; S75-V77 PolarHBondContact OG-N 3.38Å; S75-V77 VanDerWaalsContact OG-N 3.13Å; S75-V77 PolarHBondContact OG-O 2.85Å
76G60Low70.1Confident90 Ų9089.8 Ų89.893%0.92850%0.504SS*.SBendtrans-64.7-10.3173.500000114
77V64.3Low69.3Low93 Ų9397.4 Ų97.456%0.56454%0.539SS*.SBendtrans-114.1124.2174.6-167.60000109.2S75 I79S75-V77 PolarHBondContact O-N 3.43Å; S75-V77 VanDerWaalsContact O-N 3.13Å; S75-V77 PolarHBondContact OG-N 3.38Å; S75-V77 VanDerWaalsContact OG-N 3.13Å; S75-V77 PolarHBondContact OG-O 2.85Å; V77-I79 VanDerWaalsContact C-N 3.3Å; V77-I79 HydrophobicContact CB-CD1 4.38Å; V77-I79 HydrophobicContact CB-CG1 4.22Å; V77-I79 HydrophobicContact CG1-CD1 3.88Å; V77-I79 HydrophobicContact CG1-CG1 3.63Å; V77-I79 PolarHBondContact O-N 3.16Å
78D63Low68.5Low146 Ų146100.6 Ų100.678%0.78156%0.555SS**  trans-79.373.4-177.3-159.929.7000110.9K69K69-D78 WeakPolarHBondContact CE-OD1 3.46Å; K69-D78 VanDerWaalsContact NZ-C 3.3Å; K69-D78 IonicContact NZ-OD1 2.65Å; K69-D78 PolarHBondContact NZ-OD1 3.28Å
79I64.5Low68Low92 Ų92108.9 Ų108.947%0.47259%0.585SS.*  trans-99.9123.2178.1-54.4-179.3000110.3A65 K69 V77A65-I79 HydrophobicContact CB-CB 4.38Å; A65-I79 HydrophobicContact CB-CG2 4.13Å; A65-I79 WeakPolarHBondContact CB-O 3.49Å; K69-I79 WeakPolarHBondContact CE-O 3.49Å; K69-I79 VanDerWaalsContact NZ-C 3.27Å; K69-I79 PolarHBondContact NZ-O 2.79Å; V77-I79 VanDerWaalsContact C-N 3.3Å; V77-I79 HydrophobicContact CB-CD1 4.38Å; V77-I79 HydrophobicContact CB-CG1 4.22Å; V77-I79 HydrophobicContact CG1-CD1 3.88Å; V77-I79 HydrophobicContact CG1-CG1 3.63Å; V77-I79 PolarHBondContact O-N 3.16Å
80G62.2Low67.7Low30 Ų30114.4 Ų114.431%0.30962%0.616SS.*SBendtrans87.2156.2177.700000114.6K69K69-G80 PolarHBondContact NZ-O 3.26Å
81V68.6Low67.9Low127 Ų127118 Ų11877%0.7763%0.629SS**PPolyproline II helixtrans-85.5134.1178.5-177.90000109.4G66 Y83G66-V81 WeakPolarHBondContact CA-O 3.49Å; V81-Y83 PolarHBondContact O-N 2.78Å
82K64.8Low68Low126 Ų126118.1 Ų118.155%0.54864%0.635SS.*PPolyproline II helixtrans-65.9120.9172.3-176.9-177.1177.3-177.30108.2T70 S84T70-K82 HydrophobicContact CG2-CG 3.94Å; K82-S84 PolarHBondContact O-N 3.41Å
83Y64.9Low68.3Low110 Ų110122 Ų12243%0.43164%0.642SS.*PPolyproline II helixtrans-62.9134.5172.3-65.1-90.6000109.7T70 V81 E85T70-Y83 HydrophobicContact CG2-CD2 4.4Å; T70-Y83 WeakPolarHBondContact CG2-O 3.45Å; V81-Y83 PolarHBondContact O-N 2.78Å; Y83-E85 PolarHBondContact O-N 3.24Å
84S56.8Low68.6Low125 Ų125122.2 Ų122.287%0.87465%0.652SS**PPolyproline II helixtrans-65.3124.3178.3-58.40000110.3K82K82-S84 PolarHBondContact O-N 3.41Å
85E60.5Low69.5Low155 Ų155116.9 Ų116.972%0.72463%0.633SS**PPolyproline II helixtrans-88.1143.3173.1-171170.8-171.700109.8Y83 Q87Y83-E85 PolarHBondContact O-N 3.24Å; E85-Q87 PolarHBondContact O-N 3.04Å
86K68.7Low70.3Confident165 Ų165118.3 Ų118.372%0.71763%0.633SS**  trans-65.4107.6174.6-176.6-169.5-178.1-166.70108.3E88K86-E88 HydrophobicContact CD-CG 3.99Å; K86-E88 VanDerWaalsContact CE-OE1 3.29Å; K86-E88 WeakPolarHBondContact CE-OE1 3.34Å; K86-E88 HydrophobicContact CG-CG 4.2Å; K86-E88 IonicContact NZ-OE1 3.76Å; K86-E88 PolarHBondContact NZ-OE1 3.46Å; K86-E88 PolarHBondContact O-N 3.2Å
87Q69.6Low71.1Confident161 Ų161121.1 Ų121.175%0.75262%0.62SS**  trans-84.596.1172.3-174.9144.8-18.200109.9E85 R89E85-Q87 PolarHBondContact O-N 3.04Å; Q87-R89 HydrophobicContact CG-CG 4.37Å; Q87-R89 PolarHBondContact O-N 2.89Å
88E71.8Confident71.6Confident127 Ų127119.5 Ų119.559%0.59362%0.616SS**  trans-70.8108.9169-69.1-173.5170.100109K86 N90K86-E88 HydrophobicContact CD-CG 3.99Å; K86-E88 VanDerWaalsContact CE-OE1 3.29Å; K86-E88 WeakPolarHBondContact CE-OE1 3.34Å; K86-E88 HydrophobicContact CG-CG 4.2Å; K86-E88 IonicContact NZ-OE1 3.76Å; K86-E88 PolarHBondContact NZ-OE1 3.46Å; K86-E88 PolarHBondContact O-N 3.2Å; E88-N90 PolarHBondContact O-N 3.03Å
89R76.8Confident72Confident182 Ų182114.6 Ų114.669%0.68760%0.6SS**  trans-85.5105173.8-65.6-177.8-178.1-175.1-0107.8Q87 F91Q87-R89 HydrophobicContact CG-CG 4.37Å; Q87-R89 PolarHBondContact O-N 2.89Å; R89-F91 HydrophobicContact CB-CD2 4.4Å; R89-F91 HydrophobicContact CB-CE1 4.47Å; R89-F91 HydrophobicContact CB-CE2 3.76Å; R89-F91 HydrophobicContact CB-CZ 3.8Å; R89-F91 PolarHBondContact O-N 2.95Å
90N78.2Confident72.1Confident151 Ų151117.6 Ų117.681%0.80761%0.612SS**  trans-81.8110.9167.8-66.2-46.2000107.6E88E88-N90 PolarHBondContact O-N 3.03Å
91F83.2Confident72.1Confident112 Ų112121.4 Ų121.449%0.49163%0.632SS.*  trans-91146.5171.4-60.5-78.5000108.9R89 T95 M96R89-F91 HydrophobicContact CB-CD2 4.4Å; R89-F91 HydrophobicContact CB-CE1 4.47Å; R89-F91 HydrophobicContact CB-CE2 3.76Å; R89-F91 HydrophobicContact CB-CZ 3.8Å; R89-F91 PolarHBondContact O-N 2.95Å; F91-T95 HydrophobicContact CB-CG2 4.33Å; F91-T95 HydrophobicContact CD1-CG2 4.26Å; F91-M96 HydrophobicContact CB-CG 3.84Å; F91-M96 HydrophobicContact CB-SD 3.69Å; F91-M96 HydrophobicContact CD2-SD 3.88Å; F91-M96 HydrophobicContact CG-SD 4.15Å
92D84.3Confident71.8Confident110 Ų110120.8 Ų120.859%0.58863%0.628SS**  trans-62.9150.2173.3-178.338.2000111.2A94 T95 M96D92-A94 PolarHBondContact O-N 2.94Å; D92-T95 WeakPolarHBondContact O-CA 3.29Å; D92-T95 WeakPolarHBondContact O-CB 3.28Å; D92-T95 PolarHBondContact O-N 2.93Å; D92-M96 PolarHBondContact O-N 3.45Å
93D78.8Confident71.7Confident137 Ų137120.6 Ų120.673%0.73363%0.632SS**Hα-helixtrans-58.7-35.3-176.6-87-19.1000111.8T95 M96 K97D93-T95 VanDerWaalsContact C-N 3.31Å; D93-T95 PolarHBondContact O-N 3.44Å; D93-M96 PolarHBondContact O-N 3.2Å; D93-K97 VanDerWaalsContact O-CB 3.28Å; D93-K97 WeakPolarHBondContact O-CB 3.36Å; D93-K97 PolarHBondContact O-N 2.65Å
94A77.9Confident71.4Confident65 Ų65117.2 Ų117.254%0.53763%0.631SS.*Hα-helixtrans-64.2-36.8174.700000112.1D92 A98D92-A94 PolarHBondContact O-N 2.94Å; A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.21Å
95T78Confident71.4Confident79 Ų79119.9 Ų119.949%0.48564%0.635SS.*Hα-helixtrans-73.2-41.2178.4-57.50000111F91 D92 D93 K97 A98 G99F91-T95 HydrophobicContact CB-CG2 4.33Å; F91-T95 HydrophobicContact CD1-CG2 4.26Å; D92-T95 WeakPolarHBondContact O-CA 3.29Å; D92-T95 WeakPolarHBondContact O-CB 3.28Å; D92-T95 PolarHBondContact O-N 2.93Å; D93-T95 VanDerWaalsContact C-N 3.31Å; D93-T95 PolarHBondContact O-N 3.44Å; T95-K97 VanDerWaalsContact C-N 3.34Å; T95-K97 PolarHBondContact O-N 3.41Å; T95-A98 PolarHBondContact O-N 3.31Å; T95-G99 PolarHBondContact O-N 3.37Å
96M78.9Confident71.2Confident101 Ų101121.3 Ų121.350%0.49864%0.641SS.*Hα-helixtrans-62.5-41.4174.6-67.8-63.5-76.300111.7F91 D92 D93 G99 Q100F91-M96 HydrophobicContact CB-CG 3.84Å; F91-M96 HydrophobicContact CB-SD 3.69Å; F91-M96 HydrophobicContact CD2-SD 3.88Å; F91-M96 HydrophobicContact CG-SD 4.15Å; D92-M96 PolarHBondContact O-N 3.45Å; D93-M96 PolarHBondContact O-N 3.2Å; M96-G99 PolarHBondContact O-N 3.49Å; M96-Q100 PolarHBondContact O-N 3.17Å
97K76.7Confident70.2Confident150 Ų150120.9 Ų120.965%0.65264%0.644SS**Hα-helixtrans-68.2-39.7176.1-169.3175.4-176.4-178.70112.5D93 T95 G99 Q100D93-K97 VanDerWaalsContact O-CB 3.28Å; D93-K97 WeakPolarHBondContact O-CB 3.36Å; D93-K97 PolarHBondContact O-N 2.65Å; T95-K97 VanDerWaalsContact C-N 3.34Å; T95-K97 PolarHBondContact O-N 3.41Å; K97-G99 VanDerWaalsContact C-N 3.27Å; K97-G99 PolarHBondContact O-N 3.28Å; K97-Q100 WeakPolarHBondContact O-CB 3.43Å; K97-Q100 PolarHBondContact O-N 2.72Å
98A75.1Confident69.3Low59 Ų59115.8 Ų115.849%0.48863%0.634SS.*Hα-helixtrans-62.7-35.917300000111.8A94 T95 Q100 C101A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.21Å; T95-A98 PolarHBondContact O-N 3.31Å; A98-Q100 VanDerWaalsContact C-N 3.3Å; A98-Q100 PolarHBondContact O-N 2.98Å; A98-C101 WeakPolarHBondContact O-CB 3.48Å; A98-C101 PolarHBondContact O-N 3.43Å; A98-C101 VanDerWaalsContact O-N 3.17Å
99G72.3Confident68.1Low42 Ų42115.3 Ų115.343%0.43364%0.64SS.*Hα-helixtrans-63.5-30174.100000114.1T95 M96 K97 C101 V102T95-G99 PolarHBondContact O-N 3.37Å; M96-G99 PolarHBondContact O-N 3.49Å; K97-G99 VanDerWaalsContact C-N 3.27Å; K97-G99 PolarHBondContact O-N 3.28Å; G99-C101 PolarHBondContact O-N 3.34Å; G99-V102 WeakPolarHBondContact O-CB 3.44Å; G99-V102 PolarHBondContact O-N 3.27Å
100Q65.8Low67Low155 Ų155108.5 Ų108.572%0.72462%0.617SS**Hα-helixtrans-66.7-23.6174.7-69.8168.9-9.600112.9M96 K97 A98 V102M96-Q100 PolarHBondContact O-N 3.17Å; K97-Q100 WeakPolarHBondContact O-CB 3.43Å; K97-Q100 PolarHBondContact O-N 2.72Å; A98-Q100 VanDerWaalsContact C-N 3.3Å; A98-Q100 PolarHBondContact O-N 2.98Å; Q100-V102 VanDerWaalsContact C-N 3.29Å
101C63.3Low65.4Low110 Ų110109.8 Ų109.874%0.74362%0.616SS**THydrogen-bonded Turntrans-80.6-8.3173.2-71.30000113.2A98 G99 I103A98-C101 WeakPolarHBondContact O-CB 3.48Å; A98-C101 PolarHBondContact O-N 3.43Å; A98-C101 VanDerWaalsContact O-N 3.17Å; G99-C101 PolarHBondContact O-N 3.34Å; C101-I103 PolarHBondContact O-N 3.2Å
102V62.5Low63.8Low114 Ų114110.7 Ų110.769%0.69164%0.635SS**  trans-8694.8176-175.60000108.8G99 Q100 G104G99-V102 WeakPolarHBondContact O-CB 3.44Å; G99-V102 PolarHBondContact O-N 3.27Å; Q100-V102 VanDerWaalsContact C-N 3.29Å; V102-G104 PolarHBondContact O-N 3.34Å
103I60.8Low62.2Low123 Ų123108.2 Ų108.263%0.63163%0.629SS**  trans-72.3109.3174.5-58.6173.8000107.9C101 M107C101-I103 PolarHBondContact O-N 3.2Å; I103-M107 HydrophobicContact CG2-CB 4.28Å; I103-M107 WeakPolarHBondContact CG2-O 3.35Å
104G60Low61Low39 Ų39105.1 Ų105.140%0.40262%0.618SS.*  trans-59149.9170.100000110.9V102 Q106 M107V102-G104 PolarHBondContact O-N 3.34Å; G104-Q106 PolarHBondContact O-N 3.26Å; G104-M107 PolarHBondContact O-N 3.19Å
105L56.9Low59.8Low181 Ų181105.2 Ų105.295%0.94861%0.608SS**THydrogen-bonded Turntrans-52.3-10-173-123.4124000116.1
106Q54.8Low58.6Low185 Ų185104.8 Ų104.886%0.86461%0.608SS**THydrogen-bonded Turntrans-121.5-0.7-179.6-72.6-177.1-18.700114.9G104 G108G104-Q106 PolarHBondContact O-N 3.26Å; Q106-G108 PolarHBondContact O-N 3.06Å
107M49.1Very low57.4Low156 Ų156102.9 Ų102.977%0.76861%0.614SS**  trans-94.265.2-176.3-73.5-72.6-84.700111.9I103 G104I103-M107 HydrophobicContact CG2-CB 4.28Å; I103-M107 WeakPolarHBondContact CG2-O 3.35Å; G104-M107 PolarHBondContact O-N 3.19Å
108G51.3Low56.3Low54 Ų54100.4 Ų100.456%0.55761%0.606SS**  trans-102115.1162.800000109.9Q106Q106-G108 PolarHBondContact O-N 3.06Å
109T45.8Very low55.4Low117 Ų117102.1 Ų102.172%0.71861%0.611SS**  trans-81120.3165.6-173.70000109.1K111T109-K111 VanDerWaalsContact C-N 3.26Å; T109-K111 PolarHBondContact O-N 2.75Å
110N53.1Low54.6Low38 Ų38100.8 Ų100.820%0.20360%0.595CS.*  trans-86.27.7179.495.3-50.4000112.9C112 A113 T149N110-C112 PolarHBondContact O-N 3.25Å; N110-A113 HydrophobicContact CB-CB 4.09Å; N110-A113 PolarHBondContact O-N 3.17Å; N110-T149 PolarHBondContact ND2-O 2.93Å
111K45.7Very low53.9Low179 Ų179101.1 Ų101.178%0.77859%0.591SS**THydrogen-bonded Turntrans-57-18.1-174.1-76.7-174.9177-176.20113.9T109T109-K111 VanDerWaalsContact C-N 3.26Å; T109-K111 PolarHBondContact O-N 2.75Å
112C48.6Very low53.2Low131 Ų13199 Ų9989%0.88559%0.588SS**THydrogen-bonded Turntrans-122.35.2175-53.80000113.6N110 S114N110-C112 PolarHBondContact O-N 3.25Å; C112-S114 PolarHBondContact O-N 3.1Å
113A50.2Low52.6Low58 Ų5896.3 Ų96.348%0.47957%0.572SS.*  trans-85.3103.8-177.300000110.1N110N110-A113 HydrophobicContact CB-CB 4.09Å; N110-A113 PolarHBondContact O-N 3.17Å
114S54.2Low52Low71 Ų7197.6 Ų97.650%0.49757%0.569SS.*  trans-87.1133.1169.6-175.20000109.6C112 S116C112-S114 PolarHBondContact O-N 3.1Å; S114-S116 PolarHBondContact O-N 3.25Å; S114-S116 WeakPolarHBondContact OG-CB 3.21Å; S114-S116 PolarHBondContact OG-N 3.12Å
115Q52.1Low51.5Low68 Ų68107.2 Ų107.232%0.31859%0.593SS.*  trans-80.2-1.2173.3-149.8177.924.400112.1G117 M118 M158Q115-G117 PolarHBondContact O-N 3.13Å; Q115-M118 HydrophobicContact CG-CB 4.26Å; Q115-M118 HydrophobicContact CG-CG 4.28Å; Q115-M118 HydrophobicContact CG-SD 3.72Å; Q115-M118 WeakPolarHBondContact O-CB 3.34Å; Q115-M118 PolarHBondContact O-N 2.66Å; Q115-M158 HydrophobicContact CB-CG 4.41Å; Q115-M158 HydrophobicContact CB-SD 3.72Å; Q115-M158 VanDerWaalsContact CD-CE 3.49Å; Q115-M158 HydrophobicContact CG-CE 3.69Å; Q115-M158 HydrophobicContact CG-CG 4.37Å; Q115-M158 HydrophobicContact CG-SD 3.34Å; Q115-M158 WeakPolarHBondContact CG-SD 3.5Å; Q115-M158 WeakPolarHBondContact O-CG 3.46Å; Q115-M158 PolarHBondContact OE1-SD 3.16Å
116S52.8Low51.2Low69 Ų69106.2 Ų106.248%0.48358%0.583SS.*THydrogen-bonded Turntrans-53.8129.5173.5175.20000111.2S114 M118 V156S114-S116 PolarHBondContact O-N 3.25Å; S114-S116 WeakPolarHBondContact OG-CB 3.21Å; S114-S116 PolarHBondContact OG-N 3.12Å; S116-M118 VanDerWaalsContact C-N 3.33Å; S116-M118 PolarHBondContact O-N 3.19Å; S116-V156 WeakPolarHBondContact CB-O 3.41Å
117G54.9Low50.7Low61 Ų61105.5 Ų105.563%0.62958%0.584SS**THydrogen-bonded Turntrans84-5.9179.600000115.7Q115 T119Q115-G117 PolarHBondContact O-N 3.13Å; G117-T119 PolarHBondContact O-N 3.1Å
118M54Low50.6Low98 Ų98105.4 Ų105.448%0.48358%0.576SS.*PPolyproline II helixtrans-71.6130.5173-71.6-169.97300111.3Q115 S116 M158Q115-M118 HydrophobicContact CG-CB 4.26Å; Q115-M118 HydrophobicContact CG-CG 4.28Å; Q115-M118 HydrophobicContact CG-SD 3.72Å; Q115-M118 WeakPolarHBondContact O-CB 3.34Å; Q115-M118 PolarHBondContact O-N 2.66Å; S116-M118 VanDerWaalsContact C-N 3.33Å; S116-M118 PolarHBondContact O-N 3.19Å; M118-M158 HydrophobicContact CB-CE 4.23Å
119T56.2Low50.3Low96 Ų96106.3 Ų106.359%0.58957%0.568SS**PPolyproline II helixtrans-79.4128.9174-61.80000109.6G117 T123G117-T119 PolarHBondContact O-N 3.1Å; T119-T123 HydrophobicContact CG2-CG2 3.7Å; T119-T123 WeakPolarHBondContact CG2-OG1 3.49Å
120A54.8Low50.5Low13 Ų13105.6 Ų105.611%0.10757%0.565CS.*PPolyproline II helixtrans-62.9154.4-176.100000113.2G122 T123 T159 P161A120-G122 PolarHBondContact O-N 2.98Å; A120-T123 PolarHBondContact N-OG1 3.45Å; A120-T123 PolarHBondContact O-N 3.09Å; A120-T123 PolarHBondContact O-OG1 3.34Å; A120-T159 WeakPolarHBondContact CB-O 3.26Å; A120-P161 HydrophobicContact CB-CG 4.44Å
121Y50.9Low50.5Low163 Ų163112.2 Ų112.264%0.63959%0.593SS**THydrogen-bonded Turntrans-59.1126.2169.7-66.3-79.2000109.9Q146 M147Y121-Q146 WeakPolarHBondContact OH-CG 3.2Å; Y121-Q146 PolarHBondContact OH-NE2 3.4Å; Y121-M147 PolarHBondContact OH-SD 3.22Å
122G48.8Very low50.8Low65 Ų65108.3 Ų108.367%0.6758%0.58SS**THydrogen-bonded Turntrans961.1-179.600000115.8A120A120-G122 PolarHBondContact O-N 2.98Å
123T49.3Very low50.8Low58 Ų58111.6 Ų111.636%0.35658%0.582SS.*PPolyproline II helixtrans-70.4154169.2-33.10000110.7T119 A120 R125T119-T123 HydrophobicContact CG2-CG2 3.7Å; T119-T123 WeakPolarHBondContact CG2-OG1 3.49Å; A120-T123 PolarHBondContact N-OG1 3.45Å; A120-T123 PolarHBondContact O-N 3.09Å; A120-T123 PolarHBondContact O-OG1 3.34Å; T123-R125 PolarHBondContact O-N 3.47Å
124R48.4Very low50.8Low150 Ų150113 Ų11357%0.56658%0.58SS**PPolyproline II helixtrans-58.6129.9-172.3-54.7-173-165.3-121.11.7111.1H166R124-H166 PolarHBondContact NH1-O 2.77Å; R124-H166 VanDerWaalsContact NH2-CA 3.32Å; R124-H166 VanDerWaalsContact NH2-CB 3.28Å; R124-H166 PolarHBondContact NH2-O 3.2Å
125R50Low50.6Low240 Ų240116.9 Ų116.991%0.90660%0.595SS**PPolyproline II helixtrans-79.7119156.7-66.5180175.1164.5-2.5106T123 L127T123-R125 PolarHBondContact O-N 3.47Å; R125-L127 PolarHBondContact O-N 3.32Å
126H50.5Low50.4Low161 Ų161118.5 Ų118.575%0.74561%0.612SS**PPolyproline II helixtrans-58.4125.2176.1-75.1-97.9000108.6Y128H126-Y128 PolarHBondContact O-N 2.91Å
127L44.7Very low50.2Low169 Ų169120.3 Ų120.389%0.88562%0.621SS**PPolyproline II helixtrans-64.2120.2163.9-13272.8000105.6R125 D129R125-L127 PolarHBondContact O-N 3.32Å; L127-D129 PolarHBondContact O-N 2.91Å; L127-D129 VanDerWaalsContact O-N 3.09Å
128Y45.9Very low50Low154 Ų154126 Ų12660%0.60463%0.634SS**  trans-63.2112.1-176.8-174.4-98.3000109.3H126 P130H126-Y128 PolarHBondContact O-N 2.91Å; Y128-P130 HydrophobicContact CD1-CG 4.08Å; Y128-P130 HydrophobicContact CE1-CB 4.13Å; Y128-P130 HydrophobicContact CE1-CG 3.94Å
129D45.6Very low49.3Very low74 Ų74126.9 Ų126.940%0.39664%0.641SS.*  trans-99.8111.2167.2-174.6-11.8000107.7L127 K131 N132L127-D129 PolarHBondContact O-N 2.91Å; L127-D129 VanDerWaalsContact O-N 3.09Å; D129-K131 PolarHBondContact O-N 3.47Å; D129-K131 PolarHBondContact OD1-N 3.19Å; D129-K131 VanDerWaalsContact OD1-N 3.1Å; D129-N132 PolarHBondContact O-N 3.42Å; D129-N132 VanDerWaalsContact O-N 3.13Å
130P49.3Very low49Very low101 Ų101130 Ų13066%0.65665%0.648SS**THydrogen-bonded Turntrans-59.5-12.2-178.3-20.930.7000114.8Y128Y128-P130 HydrophobicContact CD1-CG 4.08Å; Y128-P130 HydrophobicContact CE1-CB 4.13Å; Y128-P130 HydrophobicContact CE1-CG 3.94Å
131K53.6Low48.4Very low178 Ų178133.7 Ų133.777%0.77467%0.673SS**THydrogen-bonded Turntrans-88.3-17.5179.7-66.1-177.6179.3179.20113.9D129D129-K131 PolarHBondContact O-N 3.47Å; D129-K131 PolarHBondContact OD1-N 3.19Å; D129-K131 VanDerWaalsContact OD1-N 3.1Å
132N52.3Low48.1Very low97 Ų97131.4 Ų131.452%0.51968%0.676SS.*SBendtrans-91.1120.2172.4-73-23000107.4D129 I134D129-N132 PolarHBondContact O-N 3.42Å; D129-N132 VanDerWaalsContact O-N 3.13Å; N132-I134 HydrophobicContact CB-CD1 4.21Å; N132-I134 HydrophobicContact CB-CG1 4.12Å; N132-I134 PolarHBondContact O-N 2.9Å
133H49.2Very low47.9Very low199 Ų199135.4 Ų135.492%0.92168%0.681SS**  trans-63.962.6179-63.9-73.3000112.8
134I50Low47.7Very low87 Ų87137.8 Ų137.845%0.44670%0.699SS.*PPolyproline II helixtrans-89.4123.9174.1-52.6173.8000106.1N132N132-I134 HydrophobicContact CB-CD1 4.21Å; N132-I134 HydrophobicContact CB-CG1 4.12Å; N132-I134 PolarHBondContact O-N 2.9Å
135L48.7Very low47.7Very low154 Ų154137.3 Ų137.381%0.80671%0.707SS**PPolyproline II helixtrans-49.9143179.7-70164.6000110.7
136P47.8Very low47.7Very low102 Ų102132.3 Ų132.366%0.66270%0.695SS**PPolyproline II helixtrans-56148.3178.922.7-32.1000110.6M138P136-M138 PolarHBondContact O-N 2.9Å
137P48.3Very low47.5Very low106 Ų106132.2 Ų132.269%0.68870%0.696SS**PPolyproline II helixtrans-54.8129.2177.4-18.829.4000109.8
138M52.3Low47.6Very low180 Ų180127.3 Ų127.389%0.88769%0.687SS**PPolyproline II helixtrans-57.7147.5174.2-83.6-157-137.300110.7P136P136-M138 PolarHBondContact O-N 2.9Å
139D39.2Very low47.5Very low118 Ų118124.3 Ų124.363%0.63169%0.685SS**PPolyproline II helixtrans-54.8135.5-177.5-168.611.1000112.2S141D139-S141 PolarHBondContact O-N 3.44Å; D139-S141 PolarHBondContact OD2-OG 3.23Å
140H50.2Low47.7Very low162 Ų162124 Ų12475%0.7568%0.683SS**THydrogen-bonded Turntrans-803.2-177.3-68.172000112.5T142H140-T142 PolarHBondContact O-N 2.78Å
141S40.6Very low47.5Very low89 Ų89126.3 Ų126.362%0.62268%0.683SS**THydrogen-bonded Turntrans-68.2-17.9178.159.10000113.4D139D139-S141 PolarHBondContact O-N 3.44Å; D139-S141 PolarHBondContact OD2-OG 3.23Å
142T45.8Very low47.2Very low116 Ų116122.5 Ų122.571%0.71268%0.678SS**SBendtrans-108.793.3170.426.50000111.1H140 S144H140-T142 PolarHBondContact O-N 2.78Å; T142-S144 PolarHBondContact O-N 3.41Å; T142-S144 VanDerWaalsContact O-N 3.1Å
143I44.2Very low47Very low149 Ų149118.5 Ų118.576%0.76466%0.658SS**  trans-70.3101.7168.2-60.3170.2000107.4L145I143-L145 PolarHBondContact O-N 3.22Å; I143-L145 VanDerWaalsContact O-N 3.17Å
144S45.9Very low47.2Very low107 Ų107111.3 Ų111.375%0.74863%0.63SS**  trans-64.8115.1169.149.80000108.7T142 Q146T142-S144 PolarHBondContact O-N 3.41Å; T142-S144 VanDerWaalsContact O-N 3.1Å; S144-Q146 PolarHBondContact O-N 3.46Å; S144-Q146 VanDerWaalsContact O-N 3.12Å
145L46.6Very low47.3Very low140 Ų140108.7 Ų108.773%0.73362%0.616SS**  trans-49118.5-177.8-99.786.6000111I143I143-L145 PolarHBondContact O-N 3.22Å; I143-L145 VanDerWaalsContact O-N 3.17Å
146Q51.2Low47.5Very low136 Ų136104.6 Ų104.664%0.63660%0.597SS**  trans-94.1125.6-179.6-162.71738.600108.9Y121 S144Y121-Q146 WeakPolarHBondContact OH-CG 3.2Å; Y121-Q146 PolarHBondContact OH-NE2 3.4Å; S144-Q146 PolarHBondContact O-N 3.46Å; S144-Q146 VanDerWaalsContact O-N 3.12Å
147M46.8Very low47.8Very low158 Ų158102.5 Ų102.578%0.77859%0.594SS**  trans87106.5174.6-48.5-62.5-89.900115.9Y121Y121-M147 PolarHBondContact OH-SD 3.22Å
148G45.2Very low47.9Very low67 Ų6799 Ų9969%0.69157%0.569SS**  trans-133147.1165.200000110.2
149T43.7Very low48Very low91 Ų9193.2 Ų93.256%0.55854%0.544SS*.  trans-62.8150.2178.6167.80000112.6N110N110-T149 PolarHBondContact ND2-O 2.93Å
150N51.2Low48.8Very low67 Ų6788.4 Ų88.436%0.35852%0.521SS..  trans-97.513-167.862.5-19.7000115.4C152 A153N150-C152 PolarHBondContact O-N 3.31Å; N150-A153 HydrophobicContact CB-CB 4.44Å; N150-A153 PolarHBondContact O-N 3.5Å
151K44.4Very low48.8Very low149 Ų14984.1 Ų84.165%0.64851%0.507SS*.THydrogen-bonded Turntrans-59.9-13.9-177.1-76.9-170.1176.8-174.60115.2
152C47.8Very low49.3Very low99 Ų9982.2 Ų82.267%0.66950%0.501SS*.THydrogen-bonded Turntrans-139.78.4173.9-53.70000113.7N150 S154N150-C152 PolarHBondContact O-N 3.31Å; C152-S154 PolarHBondContact O-N 3.02Å
153A48.2Very low49.4Very low12 Ų1279.9 Ų79.910%0.09949%0.487CS..  trans-84.6119.1-175.200000109.9N150N150-A153 HydrophobicContact CB-CB 4.44Å; N150-A153 PolarHBondContact O-N 3.5Å
154S52.3Low49.6Very low49 Ų4976.8 Ų76.834%0.34347%0.466SS..  trans-72.5126.1170.8-178.50000109.6C152 V156C152-S154 PolarHBondContact O-N 3.02Å; S154-V156 VanDerWaalsContact C-N 3.31Å; S154-V156 WeakPolarHBondContact OG-CG2 3.19Å
155Q52.4Low49.6Very low32 Ų3281.9 Ų81.915%0.1547%0.468CS..  trans-92.24.4-179.8-140.4-173.6-2200112.8G157 M158 Q197Q155-G157 PolarHBondContact O-N 3.29Å; Q155-M158 HydrophobicContact CG-CB 4.32Å; Q155-M158 HydrophobicContact CG-CG 4.03Å; Q155-M158 HydrophobicContact CG-SD 3.32Å; Q155-M158 WeakPolarHBondContact CG-SD 3.5Å; Q155-M158 WeakPolarHBondContact O-CB 3.33Å; Q155-M158 PolarHBondContact O-N 2.95Å; Q155-Q197 VanDerWaalsContact CD-CD 3.45Å; Q155-Q197 VanDerWaalsContact NE2-NE2 3.1Å; Q155-Q197 PolarHBondContact O-NE2 3.39Å
156V52.6Low49.4Very low67 Ų6778.4 Ų78.441%0.40645%0.448SS..THydrogen-bonded Turntrans-61.7126.1177.6179.10000109.4S116 S154S116-V156 WeakPolarHBondContact CB-O 3.41Å; S154-V156 VanDerWaalsContact C-N 3.31Å; S154-V156 WeakPolarHBondContact OG-CG2 3.19Å
157G54Low49.1Very low59 Ų5979.9 Ų79.961%0.60846%0.459SS*.THydrogen-bonded Turntrans87.73179.900000115.4Q155Q155-G157 PolarHBondContact O-N 3.29Å
158M52Low48.9Very low31 Ų3178.9 Ų78.915%0.15345%0.447CS..PPolyproline II helixtrans-75.5139.9170.3-73-165.175.900112.4Q115 M118 Q155Q115-M158 HydrophobicContact CB-CG 4.41Å; Q115-M158 HydrophobicContact CB-SD 3.72Å; Q115-M158 VanDerWaalsContact CD-CE 3.49Å; Q115-M158 HydrophobicContact CG-CE 3.69Å; Q115-M158 HydrophobicContact CG-CG 4.37Å; Q115-M158 HydrophobicContact CG-SD 3.34Å; Q115-M158 WeakPolarHBondContact CG-SD 3.5Å; Q115-M158 WeakPolarHBondContact O-CG 3.46Å; Q115-M158 PolarHBondContact OE1-SD 3.16Å; M118-M158 HydrophobicContact CB-CE 4.23Å; Q155-M158 HydrophobicContact CG-CB 4.32Å; Q155-M158 HydrophobicContact CG-CG 4.03Å; Q155-M158 HydrophobicContact CG-SD 3.32Å; Q155-M158 WeakPolarHBondContact CG-SD 3.5Å; Q155-M158 WeakPolarHBondContact O-CB 3.33Å; Q155-M158 PolarHBondContact O-N 2.95Å
159T54.5Low48.7Very low60 Ų6080 Ų8037%0.36844%0.438SS..PPolyproline II helixtrans-73.8125.2168.2-59.10000109.3A120 T163A120-T159 WeakPolarHBondContact CB-O 3.26Å; T159-T163 HydrophobicContact CG2-CG2 4.34Å; T159-T163 WeakPolarHBondContact CG2-OG1 3.32Å
160A54.5Low48.7Very low17 Ų1782.2 Ų82.214%0.1445%0.451CS..PPolyproline II helixtrans-63.5137.6-173.800000112.3G162 T163 V198A160-G162 PolarHBondContact O-N 2.92Å; A160-T163 PolarHBondContact O-N 2.83Å; A160-T163 PolarHBondContact O-OG1 2.94Å; A160-V198 WeakPolarHBondContact CB-O 3.37Å
161P51.7Low48.6Very low72 Ų7287.7 Ų87.747%0.46847%0.472SS..THydrogen-bonded Turntrans-55.5126.9166.5-19.130.1000109.5A120A120-P161 HydrophobicContact CB-CG 4.44Å
162G49.8Very low48.9Very low48 Ų4886.7 Ų86.750%0.49547%0.473SS..THydrogen-bonded Turntrans95.99.9-176.300000115.6A160 R164A160-G162 PolarHBondContact O-N 2.92Å; G162-R164 PolarHBondContact O-N 3.26Å
163T49.5Very low49Very low67 Ų6785.7 Ų85.741%0.41148%0.479SS..  trans-55.3138.2171.7-55.60000111.2T159 A160 R165 L201T159-T163 HydrophobicContact CG2-CG2 4.34Å; T159-T163 WeakPolarHBondContact CG2-OG1 3.32Å; A160-T163 PolarHBondContact O-N 2.83Å; A160-T163 PolarHBondContact O-OG1 2.94Å; T163-R165 PolarHBondContact O-N 3.46Å; T163-L201 HydrophobicContact CG2-CD1 4.27Å
164R46.7Very low48.8Very low85 Ų8589 Ų8932%0.32150%0.499SS..  trans-45.8117.2-166.8-161.9165.5179.7-149.77.8112.9G162 H166 Y168 D175G162-R164 PolarHBondContact O-N 3.26Å; R164-H166 WeakPolarHBondContact CD-CE1 3.41Å; R164-H166 WeakPolarHBondContact CD-NE2 3.45Å; R164-H166 PolarHBondContact NH1-CE1 3.27Å; R164-H166 PolarHBondContact O-CD2 3.36Å; R164-H166 PolarHBondContact O-N 2.74Å; R164-Y168 PolarHBondContact NH1-OH 2.98Å; R164-D175 IonicContact NH2-OD1 2.57Å
165R45.5Very low48.4Very low213 Ų21392.3 Ų92.380%0.80451%0.512SS*.  trans-72.979161.9-72.4-174.6172.3-173.4-1.4108.2T163 I167T163-R165 PolarHBondContact O-N 3.46Å; R165-I167 PolarHBondContact O-N 2.67Å
166H43.3Very low47.7Very low68 Ų68100.6 Ų100.632%0.31555%0.548SS..  trans-63.1100.5167.8-60.5-101.6000109.4R124 R164 Y168R124-H166 PolarHBondContact NH1-O 2.77Å; R124-H166 VanDerWaalsContact NH2-CA 3.32Å; R124-H166 VanDerWaalsContact NH2-CB 3.28Å; R124-H166 PolarHBondContact NH2-O 3.2Å; R164-H166 WeakPolarHBondContact CD-CE1 3.41Å; R164-H166 WeakPolarHBondContact CD-NE2 3.45Å; R164-H166 PolarHBondContact NH1-CE1 3.27Å; R164-H166 PolarHBondContact O-CD2 3.36Å; R164-H166 PolarHBondContact O-N 2.74Å; H166-Y168 HydrophobicContact CB-CD2 3.7Å; H166-Y168 HydrophobicContact CB-CE2 4.21Å; H166-Y168 HydrophobicContact CB-CG 4.47Å; H166-Y168 AromaticContact CE1-CE2 3.34Å; H166-Y168 WeakPolarHBondContact CE1-CE2 3.34Å; H166-Y168 AromaticContact CE1-CZ 3.97Å; H166-Y168 AromaticContact CG-CD2 3.8Å; H166-Y168 AromaticContact CG-CE2 3.79Å; H166-Y168 AromaticContact ND1-CD2 3.22Å; H166-Y168 WeakPolarHBondContact ND1-CD2 3.39Å; H166-Y168 AromaticContact ND1-CE2 2.78Å; H166-Y168 WeakPolarHBondContact ND1-CE2 3.19Å; H166-Y168 AromaticContact ND1-CZ 3.54Å
167I45.7Very low47.4Very low166 Ų166100.8 Ų100.885%0.85155%0.551SS**  trans-89.791.9144.1-57.4178000103R165R165-I167 PolarHBondContact O-N 2.67Å
168Y41.9Very low46.6Very low138 Ų138104.3 Ų104.354%0.54156%0.556SS.*  trans-85.3121.2173-99.2-62.7000108R164 H166R164-Y168 PolarHBondContact NH1-OH 2.98Å; H166-Y168 HydrophobicContact CB-CD2 3.7Å; H166-Y168 HydrophobicContact CB-CE2 4.21Å; H166-Y168 HydrophobicContact CB-CG 4.47Å; H166-Y168 AromaticContact CE1-CE2 3.34Å; H166-Y168 WeakPolarHBondContact CE1-CE2 3.34Å; H166-Y168 AromaticContact CE1-CZ 3.97Å; H166-Y168 AromaticContact CG-CD2 3.8Å; H166-Y168 AromaticContact CG-CE2 3.79Å; H166-Y168 AromaticContact ND1-CD2 3.22Å; H166-Y168 WeakPolarHBondContact ND1-CD2 3.39Å; H166-Y168 AromaticContact ND1-CE2 2.78Å; H166-Y168 WeakPolarHBondContact ND1-CE2 3.19Å; H166-Y168 AromaticContact ND1-CZ 3.54Å
169D41.3Very low46.1Very low91 Ų91109.2 Ų109.249%0.48758%0.583SS.*  trans-99.9116.3140.8-173.5-11.6000106.4K171 L172D169-K171 PolarHBondContact O-N 3.25Å; D169-K171 WeakPolarHBondContact OD1-CB 3.34Å; D169-K171 WeakPolarHBondContact OD1-CG 2.78Å; D169-K171 PolarHBondContact OD1-N 2.95Å; D169-K171 VanDerWaalsContact OD1-N 3.16Å; D169-L172 PolarHBondContact O-N 3.14Å
170T43.6Very low45.3Very low137 Ų137110.8 Ų110.884%0.8460%0.596SS**THydrogen-bonded Turntrans-60.7-9.7-177.3-31.50000112.7
171K48.4Very low44.5Very low182 Ų182115 Ų11579%0.79163%0.625SS**THydrogen-bonded Turntrans-84.1-15-175.9-66178.3-179.8178.20115.7D169D169-K171 PolarHBondContact O-N 3.25Å; D169-K171 WeakPolarHBondContact OD1-CB 3.34Å; D169-K171 WeakPolarHBondContact OD1-CG 2.78Å; D169-K171 PolarHBondContact OD1-N 2.95Å; D169-K171 VanDerWaalsContact OD1-N 3.16Å
172L50.1Low43.9Very low128 Ų128119.7 Ų119.767%0.6764%0.643SS**SBendtrans-101.5-2.3-164.6-70.3172.7000116.8D169 T174D169-L172 PolarHBondContact O-N 3.14Å; L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 WeakPolarHBondContact O-CG2 3.22Å; L172-T174 PolarHBondContact O-N 3.38Å
173G50.5Low43.5Very low78 Ų78122.7 Ų122.780%0.80466%0.656SS**  trans55.425.2160.300000118.5
174T43.8Very low43Very low82 Ų82128.3 Ų128.350%0.50368%0.683SS.*  trans-9891.6-179.8610000112.1L172 Q204L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 WeakPolarHBondContact O-CG2 3.22Å; L172-T174 PolarHBondContact O-N 3.38Å; T174-Q204 PolarHBondContact OG1-NE2 3.05Å; T174-Q204 VanDerWaalsContact OG1-NE2 3.12Å
175D43.6Very low42.8Very low117 Ų117132.4 Ų132.463%0.62671%0.706SS**  trans-120.576.7171.5-80.2-44.4000110.7R164R164-D175 IonicContact NH2-OD1 2.57Å
176K39.6Very low42.5Very low206 Ų206130.3 Ų130.390%0.89671%0.707SS**  trans-150.7110.9155.6-62.1-167.3-174.4-173.30109.3
177C44.4Very low42.4Very low72 Ų72130.1 Ų130.149%0.48672%0.723SS.*  trans-120.7129.9164.6-66.50000108.5
178D37.7Very low42.1Very low132 Ų132129 Ų12971%0.70671%0.709SS**  trans-77.7138.7175.5-1749.8000110S180D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 PolarHBondContact OD1-OG 3.46Å; D178-S180 PolarHBondContact OD2-OG 3.05Å
179N42.8Very low42.3Very low134 Ų134128 Ų12872%0.71772%0.718SS**  trans-101.716.4-175.8-72.3-26000112.5S181N179-S181 VanDerWaalsContact C-N 3.34Å; N179-S181 PolarHBondContact O-N 3.14Å
180S36.2Very low42.3Very low93 Ų93130.3 Ų130.365%0.6573%0.726SS**  trans-77.4-7.5-170.657.50000115.6D178D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 PolarHBondContact OD1-OG 3.46Å; D178-S180 PolarHBondContact OD2-OG 3.05Å
181S38.4Very low42.6Very low107 Ų107125.4 Ų125.475%0.74870%0.702SS**  trans-129.8114179.459.50000113.6N179N179-S181 VanDerWaalsContact C-N 3.34Å; N179-S181 PolarHBondContact O-N 3.14Å
182M39.1Very low42.6Very low169 Ų169117.7 Ų117.783%0.83367%0.672SS**  trans-94.7123.8167.5-87.3-171.7-89.800109.7
183S40.3Very low42.5Very low111 Ų111116.5 Ų116.578%0.77667%0.666SS**  trans-78.6118.7171.455.70000110.5Q185S183-Q185 VanDerWaalsContact C-N 3.31Å; S183-Q185 PolarHBondContact O-N 3.32Å
184L38.9Very low42.3Very low186 Ų186117 Ų11797%0.97465%0.648SS**  trans-70.483.6170.9-89.9120.5000110.6
185Q43.9Very low42.4Very low171 Ų171116.4 Ų116.480%0.79965%0.647SS**  trans-151.283.4163.7-164.7169.724.300108.9S183S183-Q185 VanDerWaalsContact C-N 3.31Å; S183-Q185 PolarHBondContact O-N 3.32Å
186M38Very low42.7Very low168 Ų168114.7 Ų114.783%0.82866%0.657SS**  trans-177.9123.4147-88.3-31.8-131.500112.8
187G42.8Very low42.9Very low64 Ų64106.3 Ų106.366%0.6662%0.621SS**  trans84.7132.1137.500000119.3T189G187-T189 PolarHBondContact O-N 3.12Å
188Y39.5Very low42.9Very low142 Ų142108 Ų10856%0.55763%0.629SS**  trans-54.9124.3172.8-179.2-112000112.9Q190Y188-Q190 HydrophobicContact CD1-CB 4.36Å; Y188-Q190 HydrophobicContact CE1-CB 3.73Å; Y188-Q190 HydrophobicContact CE2-CB 4.11Å; Y188-Q190 HydrophobicContact CE2-CG 4.34Å; Y188-Q190 VanDerWaalsContact CE2-OE1 3.3Å; Y188-Q190 PolarHBondContact OH-OE1 3.41Å
189T45.2Very low43.3Very low117 Ų117105.7 Ų105.772%0.71861%0.613SS**  trans-89.4-2.4-169.750.20000115.2G187 G191G187-T189 PolarHBondContact O-N 3.12Å; T189-G191 PolarHBondContact O-N 3.48Å
190Q42.5Very low43.6Very low141 Ų141102 Ų10266%0.65961%0.606SS**SBendtrans-95.640.8-170.6-70.2178.8-27.600114.3Y188Y188-Q190 HydrophobicContact CD1-CB 4.36Å; Y188-Q190 HydrophobicContact CE1-CB 3.73Å; Y188-Q190 HydrophobicContact CE2-CB 4.11Å; Y188-Q190 HydrophobicContact CE2-CG 4.34Å; Y188-Q190 VanDerWaalsContact CE2-OE1 3.3Å; Y188-Q190 PolarHBondContact OH-OE1 3.41Å
191G49.1Very low44.1Very low33 Ų33101.7 Ų101.734%0.3460%0.597SS.*SBendtrans-175.5-1517500000118.9T189T189-G191 PolarHBondContact O-N 3.48Å
192A48.1Very low44.4Very low20 Ų2098.3 Ų98.317%0.16558%0.579CS.*  trans-105.6124.4177.400000110.4Q194A192-Q194 PolarHBondContact O-N 3.47Å
193N48Very low44.6Very low103 Ų103100.6 Ų100.655%0.55158%0.579SS**  trans-71107.8167.8-175-5.3000108.5S195N193-S195 VanDerWaalsContact C-N 3.34Å; N193-S195 VanDerWaalsContact OD1-CB 3.31Å; N193-S195 WeakPolarHBondContact OD1-CB 3.42Å; N193-S195 PolarHBondContact OD1-N 3.13Å; N193-S195 VanDerWaalsContact OD1-N 3.08Å; N193-S195 PolarHBondContact OD1-OG 2.93Å
194Q47.5Very low44.6Very low89 Ų89101 Ų10142%0.41657%0.569SS.*  trans-90.512.3179.8-74.6-174.66.400113.5A192 G196 Q197A192-Q194 PolarHBondContact O-N 3.47Å; Q194-G196 PolarHBondContact O-N 3.43Å; Q194-Q197 PolarHBondContact O-N 2.94Å
195S43.9Very low45.1Very low69 Ų6999.6 Ų99.648%0.48356%0.56SS.*THydrogen-bonded Turntrans-59127.4177.266.50000110.8N193N193-S195 VanDerWaalsContact C-N 3.34Å; N193-S195 VanDerWaalsContact OD1-CB 3.31Å; N193-S195 WeakPolarHBondContact OD1-CB 3.42Å; N193-S195 PolarHBondContact OD1-N 3.13Å; N193-S195 VanDerWaalsContact OD1-N 3.08Å; N193-S195 PolarHBondContact OD1-OG 2.93Å
196G50.4Low45.1Very low81 Ų8199.3 Ų99.384%0.83555%0.553SS**THydrogen-bonded Turntrans87.87.517900000116.3Q194Q194-G196 PolarHBondContact O-N 3.43Å
197Q45.1Very low45.6Very low31 Ų3194.9 Ų94.915%0.14553%0.532CS..  trans-90.5124.9174-59.9-156.1-55.500112.4Q155 Q194 F199Q155-Q197 VanDerWaalsContact CD-CD 3.45Å; Q155-Q197 VanDerWaalsContact NE2-NE2 3.1Å; Q155-Q197 PolarHBondContact O-NE2 3.39Å; Q194-Q197 PolarHBondContact O-N 2.94Å; Q197-F199 HydrophobicContact CB-CD2 3.87Å; Q197-F199 HydrophobicContact CB-CE2 3.43Å; Q197-F199 VanDerWaalsContact CB-CE2 3.43Å; Q197-F199 HydrophobicContact CB-CZ 4.15Å; Q197-F199 HydrophobicContact CG-CE2 4.23Å
198V44.4Very low45.8Very low106 Ų10695.7 Ų95.764%0.64253%0.526SS*.  trans-92.999.8172.5-179.50000108.4A160A160-V198 WeakPolarHBondContact CB-O 3.37Å
199F45.3Very low46.4Very low84 Ų8497 Ų9737%0.36854%0.535SS..  trans-92.9135173.5-71.7-79.9000110.7Q197Q197-F199 HydrophobicContact CB-CD2 3.87Å; Q197-F199 HydrophobicContact CB-CE2 3.43Å; Q197-F199 VanDerWaalsContact CB-CE2 3.43Å; Q197-F199 HydrophobicContact CB-CZ 4.15Å; Q197-F199 HydrophobicContact CG-CE2 4.23Å
200G48.5Very low46.4Very low57 Ų57100 Ų10059%0.58853%0.534SS*.  trans89.558.1170.700000115.6G202G200-G202 PolarHBondContact O-N 3.22Å
201L46.7Very low46.5Very low86 Ų8697 Ų9745%0.4553%0.528SS..  trans-69.5126.6158.9-68.3177.8000109T163 R203T163-L201 HydrophobicContact CG2-CD1 4.27Å; L201-R203 PolarHBondContact O-N 3.26Å
202G45.3Very low46.2Very low37 Ų37101.1 Ų101.138%0.38155%0.549SS..  trans-48.9134.2-172.600000113.9G200G200-G202 PolarHBondContact O-N 3.22Å
203R44.2Very low45.9Very low216 Ų216107.7 Ų107.782%0.81558%0.576SS**  trans-85.1115.7171.6-65.7177.7178.8-105.12107.9L201 I205L201-R203 PolarHBondContact O-N 3.26Å; R203-I205 PolarHBondContact O-N 3.01Å; R203-I205 VanDerWaalsContact O-N 3.13Å
204Q39.9Very low45.4Very low121 Ų121106 Ų10657%0.56558%0.583SS**  trans-77.699.3173.1-165.6169.413.500108.6T174T174-Q204 PolarHBondContact OG1-NE2 3.05Å; T174-Q204 VanDerWaalsContact OG1-NE2 3.12Å
205I49.2Very low44.7Very low156 Ų156108.3 Ų108.380%0.860%0.603SS**  trans-12787.1159-51.6179.2000106.5R203R203-I205 PolarHBondContact O-N 3.01Å; R203-I205 VanDerWaalsContact O-N 3.13Å
206Y43.3Very low44.4Very low165 Ų165111.8 Ų111.865%0.64762%0.621SS**  trans-131.6102.8156.8-175-103.6000106.7P208Y206-P208 HydrophobicContact CD1-CG 4.22Å; Y206-P208 HydrophobicContact CE1-CG 3.65Å
207D48.3Very low43.5Very low74 Ų74112.3 Ų112.340%0.39662%0.618SS.*  trans-117.2110167.5-172.4-18.5000106.9K209 Y210D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 WeakPolarHBondContact OD1-CB 3.21Å; D207-K209 PolarHBondContact OD1-N 3.08Å; D207-Y210 HydrophobicContact CB-CD2 3.94Å; D207-Y210 PolarHBondContact O-N 2.98Å; D207-Y210 VanDerWaalsContact O-N 3.14Å; D207-Y210 WeakPolarHBondContact OD2-CD2 3.31Å; D207-Y210 VanDerWaalsContact OD2-CE2 3.26Å; D207-Y210 WeakPolarHBondContact OD2-CE2 3.43Å
208P48.1Very low42.9Very low82 Ų82118.6 Ų118.653%0.53265%0.652SS.*THydrogen-bonded Turntrans-55-16.4177.9-2330.5000114Y206 Y210Y206-P208 HydrophobicContact CD1-CG 4.22Å; Y206-P208 HydrophobicContact CE1-CG 3.65Å; P208-Y210 VanDerWaalsContact C-N 3.34Å
209K50.7Low42.2Very low170 Ų170117.3 Ų117.374%0.73966%0.66SS**THydrogen-bonded Turntrans-78.1-15.3-178.6-149.5177.2-173-178.10113.9D207D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 WeakPolarHBondContact OD1-CB 3.21Å; D207-K209 PolarHBondContact OD1-N 3.08Å
210Y46.3Very low41.3Very low179 Ų179118 Ų11870%0.70268%0.681SS**SBendtrans-1244.1-173-60-74.7000115.2D207 P208D207-Y210 HydrophobicContact CB-CD2 3.94Å; D207-Y210 PolarHBondContact O-N 2.98Å; D207-Y210 VanDerWaalsContact O-N 3.14Å; D207-Y210 WeakPolarHBondContact OD2-CD2 3.31Å; D207-Y210 VanDerWaalsContact OD2-CE2 3.26Å; D207-Y210 WeakPolarHBondContact OD2-CE2 3.43Å; P208-Y210 VanDerWaalsContact C-N 3.34Å
211C43.9Very low40.9Very low77 Ų77121.1 Ų121.152%0.5269%0.692SS.*  trans-115.3110.1171.7-71.20000109.9Q213C211-Q213 PolarHBondContact O-N 3.33Å
212P42.9Very low40.2Very low120 Ų120122.9 Ų122.978%0.77971%0.711SS**  trans-66.8130.4172.226.5-30.6000109.6G214P212-G214 PolarHBondContact O-N 3.37Å
213Q42.4Very low39.4Very low158 Ų158124.3 Ų124.374%0.73873%0.726SS**  trans-57.8105.1168.1-87.177.111.700109.1C211 T215C211-Q213 PolarHBondContact O-N 3.33Å; Q213-T215 PolarHBondContact O-N 3.36Å
214G37.1Very low38.7Very low67 Ų67121.2 Ų121.269%0.69173%0.731SS**PPolyproline II helixtrans-60.9127.7165.300000109.1P212 V216P212-G214 PolarHBondContact O-N 3.37Å; G214-V216 PolarHBondContact O-N 3.37Å
215T33.2Very low38.2Very low139 Ų139118.8 Ų118.885%0.85374%0.739SS**PPolyproline II helixtrans-54.5126.5173.7400000110.6Q213 A217Q213-T215 PolarHBondContact O-N 3.36Å; T215-A217 PolarHBondContact O-N 3.32Å
216V37.5Very low37.2Very low142 Ų142119.2 Ų119.286%0.86174%0.742SS**PPolyproline II helixtrans-61.4120169.7-149.10000107.7G214G214-V216 PolarHBondContact O-N 3.37Å
217A31.7Very low36.7Very low92 Ų92117.3 Ų117.376%0.7675%0.752SS**  trans-130.8128.4163.900000107.6T215T215-A217 PolarHBondContact O-N 3.32Å
218D32.2Very low36.1Very low162 Ų162119.6 Ų119.687%0.86677%0.77SS**  trans-64.9157.5-163.2-59.1-81.1000116.1
219G30.1Very low35.4Very low79 Ų79123 Ų12381%0.81478%0.784SS**  trans111.4107.6144.500000117.3
220A25.9Very low35.3Very low98 Ų98120.1 Ų120.181%0.8178%0.783SS**  trans-65-173.6172.400000113.8
221P40.4Very low34.7Very low124 Ų124114.9 Ų114.981%0.80578%0.783SS**  cis-140175.72.637.8-16000117
222S30.4Very low34.3Very low123 Ų123120.6 Ų120.686%0.8680%0.802SS**  trans-53.7150.5167.6-430000115.6
223G29.1Very low34.2Very low66 Ų66121.3 Ų121.368%0.6880%0.804SS**  trans161.291.4156.500000117
224T29Very low34.2Very low152 Ų152119.4 Ų119.493%0.93381%0.806SS**  trans45.8127.2137.954.40000121.9
225G29.5Very low34.1Very low70 Ų70125.6 Ų125.672%0.72282%0.816SS**  trans165.596.1153.300000115.7
226D29.5Very low34.2Very low165 Ų165129.7 Ų129.788%0.88282%0.818SS**  trans43.2125.5143-59.8-39.2000123.2
227C31.8Very low34.4Very low124 Ų124128.2 Ų128.284%0.83881%0.811SS**  trans-65.6154.1163.3-46.70000111.8
228P35.5Very low34.9Very low122 Ų122129.3 Ų129.379%0.79281%0.811SS**  -151.213895.634.7-15.4000117.6
229D33.9Very low35Very low154 Ų154132.9 Ų132.982%0.82481%0.814SS**  trans50.7167.7136.6-125.327.1000122.7
230P48.5Very low35.2Very low110 Ų110140.3 Ų140.371%0.71482%0.819SS**  -127.9111.3-122.534.4-9.5000112.2
231G34.2Very low35.7Very low68 Ų68144 Ų14470%0.70182%0.819SS**  trans-165.9107.9174.800000111.4
232E36Very low35.4Very low197 Ų197146.8 Ų146.892%0.92182%0.822SS**  trans178.9125.7131.4-98.3171.9-172.400110
233V39.6Very low35.9Very low136 Ų136148.6 Ų148.682%0.82482%0.816SS**PPolyproline II helixtrans-96.7124.5173.4-168.20000106.2E235V233-E235 PolarHBondContact O-N 2.72Å
234P42.4Very low36.4Very low118 Ų118149.7 Ų149.777%0.76682%0.819SS**PPolyproline II helixtrans-75.1123179.2-16.830.9000112.2
235E35.1Very low36.8Very low196 Ų196145.7 Ų145.792%0.91681%0.808SS**PPolyproline II helixtrans-62.4138.2172-89.4178.6141.400112.7V233V233-E235 PolarHBondContact O-N 2.72Å
236Y36.4Very low37.2Very low225 Ų225157.6 Ų157.688%0.88283%0.834SS**PPolyproline II helixtrans-93.5138.8166-106.8-94.2000109.9
237P41.1Very low37.6Very low111 Ų111157.3 Ų157.372%0.72183%0.831SS**PPolyproline II helixtrans-78144.2-178.828.5-31.5000113.2
238P42.7Very low37.9Very low116 Ų116159 Ų15975%0.75383%0.831SS**PPolyproline II helixtrans-85.3150.5-174.932.5-33000114.4
239Y32.8Very low38Very low237 Ų237161.1 Ų161.193%0.92983%0.833SS**PPolyproline II helixtrans-64.3135.3172.9-94.8-107.5000112.1
240Y35.8Very low38.3Very low235 Ų235161.5 Ų161.592%0.92283%0.834SS**PPolyproline II helixtrans-89.7129.6168.9-95.3-90000111
241Q35.8Very low37.6Very low176 Ų176164.7 Ų164.782%0.82284%0.841SS**  trans-137.4155.9165.5-172.3166.5-4.900108.5
242E35.2Very low37.9Very low182 Ų182171.1 Ų171.185%0.8585%0.85SS**  trans100.8143.8175.5-68.3-164.2133.500116.2
243E38.9Very low38Very low160 Ų160169.3 Ų169.375%0.74885%0.845SS**  cis-179.8161.5-27.3-108.9-84.9161.500104.1
244A40.4Very low37.9Very low90 Ų90171.8 Ų171.874%0.74485%0.847SS**  trans6.9133.2166.800000122.9
245G38.5Very low37.5Very low68 Ų68176.3 Ų176.370%0.70185%0.854SS**  122.2105.8118.800000117.8
246Y37.4Very low37.7Very low320 Ų320174.5 Ų174.5100%1.25585%0.848SS**  -165.30116.9-99.7-73.2000109.8

Retrieved 246 of 246 residues in 304 ms (Link to these results)

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