C4Q9B6_SCHMA Loading...

DUF4477 domain-containing protein

AlphaFold DB , UniProt , Accession C4Q9B6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M70.5Confident83.1Confident176 Ų17678.7 Ų78.787%0.86742%0.417SS*.  0146.90-69.2-174.9-179.200108.6E3 S4M1-E3 PolarHBondContact O-N 3.32Å; M1-S4 PolarHBondContact O-N 2.84Å; M1-S4 VanDerWaalsContact O-N 3.15Å; M1-S4 PolarHBondContact O-OG 3.25Å
2A76.8Confident83.3Confident8 Ų877.7 Ų77.77%0.06642%0.418CS..G310 helixtrans-56.1-20.4-175.300000114.5S4 L5 I118 I197 L199A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.36Å; A2-L5 HydrophobicContact CB-CD1 4.36Å; A2-L5 WeakPolarHBondContact O-CB 3.26Å; A2-L5 PolarHBondContact O-N 3.43Å; A2-I118 HydrophobicContact CB-CD1 3.91Å; A2-I197 HydrophobicContact CB-CG2 4.07Å; A2-L199 HydrophobicContact CB-CD2 4.34Å
3E79.5Confident83.5Confident85 Ų8583.1 Ų83.140%0.39744%0.435SS..G310 helixtrans-63.4-31178.6-54.5179.4-173.200114.2M1 I118 Q119 K122M1-E3 PolarHBondContact O-N 3.32Å; E3-I118 HydrophobicContact CG-CG2 3.79Å; E3-Q119 PolarHBondContact O-NE2 2.92Å; E3-K122 HydrophobicContact CG-CG 3.95Å; E3-K122 WeakPolarHBondContact OE1-CD 3.48Å; E3-K122 WeakPolarHBondContact OE1-CE 3.41Å; E3-K122 IonicContact OE1-NZ 2.98Å
4S80.9Confident84Confident102 Ų10284 Ų8471%0.71344%0.44SS*.G310 helixtrans-98.55.8-176.864.80000113.3M1 A2M1-S4 PolarHBondContact O-N 2.84Å; M1-S4 VanDerWaalsContact O-N 3.15Å; M1-S4 PolarHBondContact O-OG 3.25Å; A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.36Å
5L85.2Confident84.4Confident30 Ų3083.9 Ų83.916%0.15743%0.432CS..  trans-67.6135.8179.4-78.8177.4000111.2A2 I7 V115 Q119 W192 L193 I197A2-L5 HydrophobicContact CB-CD1 4.36Å; A2-L5 WeakPolarHBondContact O-CB 3.26Å; A2-L5 PolarHBondContact O-N 3.43Å; L5-I7 PolarHBondContact O-N 3.45Å; L5-V115 HydrophobicContact CB-CG1 4.15Å; L5-V115 HydrophobicContact CD1-CG1 4.24Å; L5-V115 HydrophobicContact CD1-CG2 4.11Å; L5-Q119 PolarHBondContact O-NE2 3.12Å; L5-W192 HydrophobicContact CB-CH2 4.5Å; L5-W192 HydrophobicContact CD1-CH2 4.04Å; L5-W192 HydrophobicContact CD1-CZ3 4.3Å; L5-L193 HydrophobicContact CD1-CD2 3.63Å; L5-I197 HydrophobicContact CD1-CD1 3.8Å; L5-I197 HydrophobicContact CD1-CG2 4.27Å; L5-I197 HydrophobicContact CD2-CD1 3.39Å; L5-I197 HydrophobicContact CG-CD1 3.82Å
6N87.5Confident84.8Confident121 Ų12181.6 Ų81.665%0.64742%0.42SS*.  trans-70.2118.9169.1-173.65.1000109.3D8 F9N6-D8 VanDerWaalsContact OD1-CB 3.3Å; N6-D8 WeakPolarHBondContact OD1-CB 3.07Å; N6-D8 PolarHBondContact OD1-N 3.5Å; N6-F9 WeakPolarHBondContact O-CE1 3.2Å
7I88Confident85.1Confident4 Ų482.8 Ų82.82%0.02144%0.435CS..  trans-112.210.4178.354.8159.8000112.5L5 F9 P84 I85 H112 V115 W192L5-I7 PolarHBondContact O-N 3.45Å; I7-F9 PolarHBondContact O-N 3.5Å; I7-P84 HydrophobicContact CD1-CB 4.1Å; I7-P84 HydrophobicContact CD1-CG 4.12Å; I7-P84 HydrophobicContact CG1-CB 3.98Å; I7-P84 HydrophobicContact CG1-CG 3.95Å; I7-I85 HydrophobicContact CD1-CB 4.34Å; I7-I85 HydrophobicContact CD1-CG1 3.53Å; I7-H112 PolarHBondContact O-NE2 3.06Å; I7-H112 VanDerWaalsContact O-NE2 3.08Å; I7-V115 HydrophobicContact CG2-CB 4.21Å; I7-V115 HydrophobicContact CG2-CG1 3.48Å; I7-V115 VanDerWaalsContact CG2-CG1 3.48Å; I7-W192 HydrophobicContact CG2-CH2 4.29Å
8D87.8Confident85.2Confident125 Ų12579.4 Ų79.467%0.66842%0.419SS*.  trans-78.458.8179.1-161.622.7000111.8N6 P84N6-D8 VanDerWaalsContact OD1-CB 3.3Å; N6-D8 WeakPolarHBondContact OD1-CB 3.07Å; N6-D8 PolarHBondContact OD1-N 3.5Å; D8-P84 HydrophobicContact CB-CB 4.33Å
9F88.1Confident85.4Confident79 Ų7979.4 Ų79.435%0.34642%0.422SS..SBendtrans-150.7161.6172.667.6-88.9000109.5N6 I7 P11 H112 W192N6-F9 WeakPolarHBondContact O-CE1 3.2Å; I7-F9 PolarHBondContact O-N 3.5Å; F9-P11 HydrophobicContact CE2-CB 4.48Å; F9-H112 AromaticContact CE1-CD2 3.97Å; F9-H112 AromaticContact CE2-CD2 3.73Å; F9-H112 AromaticContact CZ-CD2 3.51Å; F9-H112 PolarHBondContact O-NE2 3.47Å; F9-W192 HydrophobicContact CE1-CD2 4.38Å; F9-W192 HydrophobicContact CE1-CE3 4.08Å; F9-W192 HydrophobicContact CE1-CH2 4.06Å; F9-W192 HydrophobicContact CE1-CZ2 4.38Å; F9-W192 AromaticContact CE1-CZ3 3.9Å; F9-W192 HydrophobicContact CE1-CZ3 3.9Å; F9-W192 HydrophobicContact CE2-CD2 4.39Å; F9-W192 HydrophobicContact CE2-CG 4.49Å; F9-W192 AromaticContact CZ-CD2 3.55Å; F9-W192 HydrophobicContact CZ-CD2 3.55Å; F9-W192 AromaticContact CZ-CE2 3.63Å; F9-W192 AromaticContact CZ-CE3 3.68Å; F9-W192 HydrophobicContact CZ-CE3 3.68Å; F9-W192 HydrophobicContact CZ-CG 4.09Å; F9-W192 AromaticContact CZ-CH2 3.97Å; F9-W192 HydrophobicContact CZ-CH2 3.97Å; F9-W192 AromaticContact CZ-CZ2 3.87Å; F9-W192 HydrophobicContact CZ-CZ2 3.87Å; F9-W192 AromaticContact CZ-CZ3 3.89Å; F9-W192 HydrophobicContact CZ-CZ3 3.89Å
10I83.7Confident85.6Confident133 Ų13376.8 Ų76.868%0.68242%0.415SS*.PPolyproline II helixtrans-102.8119177.6-60.5173.1000107.9
11P85.7Confident85.8Confident3 Ų381.1 Ų81.12%0.01943%0.432CS..PPolyproline II helixtrans-65.1152.3178.826.3-33.7000111.3F9 K13 T109 H112F9-P11 HydrophobicContact CE2-CB 4.48Å; P11-K13 PolarHBondContact O-N 3.06Å; P11-T109 HydrophobicContact CG-CG2 4.28Å; P11-H112 HydrophobicContact CB-CB 4.33Å; P11-H112 HydrophobicContact CG-CB 4.03Å
12P85.2Confident86.7Confident66 Ų6674.2 Ų74.243%0.42940%0.399SS..PPolyproline II helixtrans-57134.7178.4-24.633.6000112.5L14 T109P12-L14 VanDerWaalsContact C-N 3.27Å; P12-L14 HydrophobicContact CB-CD1 3.86Å; P12-L14 HydrophobicContact CB-CG 4.04Å; P12-L14 PolarHBondContact O-N 2.87Å; P12-T109 PolarHBondContact O-OG1 3.11Å
13K87Confident87.3Confident148 Ų14873.9 Ų73.964%0.64340%0.396SS*.  trans-78.176178.4-65-175.6-179.81700111.1P11 M95P11-K13 PolarHBondContact O-N 3.06Å; K13-M95 VanDerWaalsContact CA-CE 3.49Å; K13-M95 HydrophobicContact CB-CE 3.71Å; K13-M95 HydrophobicContact CB-SD 3.9Å; K13-M95 HydrophobicContact CD-SD 4.03Å; K13-M95 HydrophobicContact CG-CE 4.09Å; K13-M95 HydrophobicContact CG-SD 3.68Å
14L89.3Confident87.8Confident96 Ų9673.9 Ų73.950%0.50340%0.399SS..  trans-120.5143.5-177.7-64.7171.5000110.5P12 S106P12-L14 VanDerWaalsContact C-N 3.27Å; P12-L14 HydrophobicContact CB-CD1 3.86Å; P12-L14 HydrophobicContact CB-CG 4.04Å; P12-L14 PolarHBondContact O-N 2.87Å; L14-S106 WeakPolarHBondContact O-CB 3.32Å; L14-S106 PolarHBondContact O-N 2.64Å
15Y91Very high88.2Confident83 Ų8373.7 Ų73.733%0.32538%0.383SS..EExtended strand (participates in β ladder)trans-116.8146.1174.3-58.5-71.6000109.7M95 C99 C104 V105Y15-M95 HydrophobicContact CD1-CE 4.34Å; Y15-M95 HydrophobicContact CE1-CE 3.65Å; Y15-M95 WeakPolarHBondContact CE1-O 3.41Å; Y15-M95 HydrophobicContact CE2-CE 4.09Å; Y15-M95 VanDerWaalsContact CZ-CE 3.49Å; Y15-M95 PolarHBondContact OH-O 3.3Å; Y15-C99 HydrophobicContact CD1-CB 4.13Å; Y15-C99 WeakPolarHBondContact CD1-SG 3.48Å; Y15-C99 HydrophobicContact CE1-CB 3.86Å; Y15-C104 CarbonylContact C-O 3.57Å; Y15-C104 WeakPolarHBondContact CA-O 3.29Å; Y15-V105 HydrophobicContact CE1-CG1 4.37Å
16I90Very high88.4Confident47 Ų4772.5 Ų72.524%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-121.2139.3-178.7-57.4179.6000107.6C18 H103 C104 T189I16-C18 PolarHBondContact O-N 2.73Å; I16-H103 CarbonylContact O-C 3.52Å; I16-H103 WeakPolarHBondContact O-CA 3.32Å; I16-C104 PolarHBondContact N-O 3.48Å; I16-C104 PolarHBondContact O-N 3.04Å; I16-T189 HydrophobicContact CD1-CG2 3.57Å
17P89.6Confident88.6Confident102 Ų10269.1 Ų69.166%0.66236%0.357SS*.EExtended strand (participates in β ladder)trans-58.1134.4173.124.8-34.5000110.2
18C88.1Confident88.8Confident22 Ų2273.9 Ų73.915%0.14938%0.382CS..  trans-150.5168176.771.10000110.1I16 E102 H103 C104 L186I16-C18 PolarHBondContact O-N 2.73Å; C18-E102 PolarHBondContact N-O 2.92Å; C18-E102 CarbonylContact O-C 3.57Å; C18-E102 VanDerWaalsContact O-C 3.25Å; C18-E102 WeakPolarHBondContact O-CA 3.44Å; C18-H103 PolarHBondContact SG-O 3.48Å; C18-C104 HydrophobicContact CB-CB 3.78Å; C18-C104 WeakPolarHBondContact CB-SG 3.39Å; C18-C104 WeakPolarHBondContact SG-CB 3.26Å; C18-C104 PolarHBondContact SG-N 3.32Å; C18-C104 CovalentContact SG-SG 2.04Å; C18-C104 PolarHBondContact SG-SG 3.47Å; C18-L186 HydrophobicContact CB-CD2 4.01Å
19T89.3Confident89Confident78 Ų7868.9 Ų68.948%0.47936%0.355SS..  trans-66.7147.4175.869.80000110.6Q21 I22 S23T19-Q21 PolarHBondContact O-N 2.67Å; T19-Q21 VanDerWaalsContact O-N 3.15Å; T19-I22 HydrophobicContact CG2-CD1 4.47Å; T19-I22 PolarHBondContact O-N 2.99Å; T19-I22 VanDerWaalsContact OG1-CD1 3.32Å; T19-I22 WeakPolarHBondContact OG1-CD1 3.21Å; T19-I22 VanDerWaalsContact OG1-CG1 3.24Å; T19-I22 WeakPolarHBondContact OG1-CG1 3.38Å; T19-I22 PolarHBondContact OG1-N 3.32Å; T19-S23 PolarHBondContact O-N 3.39Å; T19-S23 VanDerWaalsContact O-N 3.07Å
20G88.5Confident89.3Confident27 Ų2765.8 Ų65.828%0.27834%0.343SS..Hα-helixtrans-60.3-27.7179.700000113.9N24 S101G20-N24 VanDerWaalsContact O-CB 3.32Å; G20-N24 WeakPolarHBondContact O-CB 3.4Å; G20-N24 PolarHBondContact O-N 3.04Å; G20-N24 PolarHBondContact O-ND2 3.47Å; G20-S101 WeakPolarHBondContact CA-O 3.29Å
21Q90.1Very high89.8Confident168 Ų16863.9 Ų63.979%0.78534%0.341SS*.Hα-helixtrans-63.6-47.2172.8-67.9179.5-10.900112T19 N24 Y25T19-Q21 PolarHBondContact O-N 2.67Å; T19-Q21 VanDerWaalsContact O-N 3.15Å; Q21-N24 PolarHBondContact O-N 3.37Å; Q21-Y25 WeakPolarHBondContact O-CB 3.47Å; Q21-Y25 PolarHBondContact O-N 3.27Å
22I88.9Confident90.1Very high31 Ų3164.8 Ų64.816%0.15935%0.347CS..Hα-helixtrans-66.6-40.9179.5-63167.4000110.6T19 Y25 S26 V182T19-I22 HydrophobicContact CG2-CD1 4.47Å; T19-I22 PolarHBondContact O-N 2.99Å; T19-I22 VanDerWaalsContact OG1-CD1 3.32Å; T19-I22 WeakPolarHBondContact OG1-CD1 3.21Å; T19-I22 VanDerWaalsContact OG1-CG1 3.24Å; T19-I22 WeakPolarHBondContact OG1-CG1 3.38Å; T19-I22 PolarHBondContact OG1-N 3.32Å; I22-Y25 PolarHBondContact O-N 3.17Å; I22-S26 PolarHBondContact O-N 3.4Å; I22-S26 PolarHBondContact O-OG 3.17Å; I22-V182 HydrophobicContact CG2-CG1 3.79Å
23S89.4Confident90.6Very high2 Ų261.8 Ų61.81%0.01433%0.327CS..Hα-helixtrans-58.7-50.6175.3-1740000111.4T19 Y25 S26 K27 K100 S101 H103T19-S23 PolarHBondContact O-N 3.39Å; T19-S23 VanDerWaalsContact O-N 3.07Å; S23-Y25 VanDerWaalsContact C-N 3.34Å; S23-Y25 PolarHBondContact O-N 3.08Å; S23-S26 WeakPolarHBondContact O-CB 3.49Å; S23-S26 PolarHBondContact O-N 3.24Å; S23-K27 WeakPolarHBondContact O-CG 3.49Å; S23-K27 PolarHBondContact O-N 3.43Å; S23-K100 PolarHBondContact OG-O 3.07Å; S23-S101 VanDerWaalsContact CB-O 3.28Å; S23-S101 WeakPolarHBondContact CB-O 3.17Å; S23-H103 WeakPolarHBondContact CB-O 3.18Å; S23-H103 PolarHBondContact OG-O 3.25Å
24N90.7Very high90.9Very high84 Ų8455.4 Ų55.445%0.44930%0.303SS..Hα-helixtrans-64-39.3179.1-73.4-18.1000111.9G20 Q21 S26 K27 N28G20-N24 VanDerWaalsContact O-CB 3.32Å; G20-N24 WeakPolarHBondContact O-CB 3.4Å; G20-N24 PolarHBondContact O-N 3.04Å; G20-N24 PolarHBondContact O-ND2 3.47Å; Q21-N24 PolarHBondContact O-N 3.37Å; N24-S26 VanDerWaalsContact C-N 3.31Å; N24-S26 PolarHBondContact O-N 3Å; N24-K27 PolarHBondContact O-N 2.88Å; N24-N28 PolarHBondContact O-N 2.87Å; N24-N28 PolarHBondContact O-ND2 3.07Å; N24-N28 PolarHBondContact O-OD1 2.94Å
25Y89.2Confident91.1Very high99 Ų9956 Ų5639%0.38830%0.302SS..Hα-helixtrans-60.5-42.1177.4-162.4-100.7000112Q21 I22 S23 N28 N178 V182Q21-Y25 WeakPolarHBondContact O-CB 3.47Å; Q21-Y25 PolarHBondContact O-N 3.27Å; I22-Y25 PolarHBondContact O-N 3.17Å; S23-Y25 VanDerWaalsContact C-N 3.34Å; S23-Y25 PolarHBondContact O-N 3.08Å; Y25-N28 PolarHBondContact O-N 3.06Å; Y25-N178 HydrophobicContact CE1-CB 3.74Å; Y25-N178 PolarHBondContact OH-OD1 3.15Å; Y25-V182 HydrophobicContact CD1-CG2 3.64Å; Y25-V182 HydrophobicContact CE1-CG2 4.41Å
26S88.6Confident91.3Very high4 Ų452.1 Ų52.13%0.02829%0.287CS..Hα-helixtrans-63.4-43.6175-54.20000112I22 S23 N24 N28 Q29 V182I22-S26 PolarHBondContact O-N 3.4Å; I22-S26 PolarHBondContact O-OG 3.17Å; S23-S26 WeakPolarHBondContact O-CB 3.49Å; S23-S26 PolarHBondContact O-N 3.24Å; N24-S26 VanDerWaalsContact C-N 3.31Å; N24-S26 PolarHBondContact O-N 3Å; S26-N28 VanDerWaalsContact C-N 3.33Å; S26-N28 PolarHBondContact O-N 2.94Å; S26-Q29 PolarHBondContact O-N 3.3Å; S26-V182 VanDerWaalsContact OG-CG1 3.27Å; S26-V182 WeakPolarHBondContact OG-CG1 3.19Å
27K91.6Very high91.5Very high50 Ų5055.3 Ų55.322%0.21730%0.296CS..Hα-helixtrans-63.2-37178-73.6172.5-179.6171.80112.6S23 N24 Q29 V30 S96 C99S23-K27 WeakPolarHBondContact O-CG 3.49Å; S23-K27 PolarHBondContact O-N 3.43Å; N24-K27 PolarHBondContact O-N 2.88Å; K27-Q29 PolarHBondContact O-N 3.1Å; K27-V30 VanDerWaalsContact O-CB 3.24Å; K27-V30 WeakPolarHBondContact O-CB 3.38Å; K27-V30 VanDerWaalsContact O-CG2 3.31Å; K27-V30 WeakPolarHBondContact O-CG2 3.3Å; K27-V30 PolarHBondContact O-N 3.35Å; K27-S96 WeakPolarHBondContact CE-O 3.48Å; K27-S96 WeakPolarHBondContact CG-O 3.44Å; K27-C99 VanDerWaalsContact CE-O 3.25Å; K27-C99 WeakPolarHBondContact CE-O 3.38Å; K27-C99 PolarHBondContact NZ-O 3.32Å
28N92.8Very high91.6Very high105 Ų10559 Ų5956%0.56130%0.297SS*.Hα-helixtrans-61.3-30.7179.5-69.6-15000112.2N24 Y25 S26 V30 S31N24-N28 PolarHBondContact O-N 2.87Å; N24-N28 PolarHBondContact O-ND2 3.07Å; N24-N28 PolarHBondContact O-OD1 2.94Å; Y25-N28 PolarHBondContact O-N 3.06Å; S26-N28 VanDerWaalsContact C-N 3.33Å; S26-N28 PolarHBondContact O-N 2.94Å; N28-V30 VanDerWaalsContact C-N 3.26Å; N28-V30 PolarHBondContact O-N 3.07Å; N28-S31 PolarHBondContact O-OG 3.41Å
29Q92.5Very high92Very high19 Ų1959.1 Ų59.19%0.08930%0.296CS..Hα-helixtrans-71.2-18177.1-53.5-51.2-49.500113.4S26 K27 S31 C32 L33 N178 L179S26-Q29 PolarHBondContact O-N 3.3Å; K27-Q29 PolarHBondContact O-N 3.1Å; Q29-S31 PolarHBondContact O-N 2.6Å; Q29-C32 WeakPolarHBondContact O-CB 3.36Å; Q29-C32 PolarHBondContact O-N 3.34Å; Q29-L33 WeakPolarHBondContact O-CG 3.37Å; Q29-L33 PolarHBondContact O-N 3.33Å; Q29-N178 VanDerWaalsContact CD-CB 3.49Å; Q29-N178 HydrophobicContact CG-CB 4.05Å; Q29-N178 PolarHBondContact NE2-ND2 3.41Å; Q29-N178 PolarHBondContact OE1-ND2 2.97Å; Q29-L179 HydrophobicContact CB-CD2 4.14Å; Q29-L179 HydrophobicContact CB-CG 4.46Å; Q29-L179 HydrophobicContact CG-CD2 3.96Å; Q29-L179 HydrophobicContact CG-CG 4.28Å
30V93.8Very high92.3Very high15 Ų1555.4 Ų55.49%0.09127%0.274CS..Hα-helixtrans-60.6-34.1-178.81760000111.8K27 N28 G34 C93 L97K27-V30 VanDerWaalsContact O-CB 3.24Å; K27-V30 WeakPolarHBondContact O-CB 3.38Å; K27-V30 VanDerWaalsContact O-CG2 3.31Å; K27-V30 WeakPolarHBondContact O-CG2 3.3Å; K27-V30 PolarHBondContact O-N 3.35Å; N28-V30 VanDerWaalsContact C-N 3.26Å; N28-V30 PolarHBondContact O-N 3.07Å; V30-G34 PolarHBondContact O-N 2.98Å; V30-C93 HydrophobicContact CG1-CB 3.85Å; V30-L97 HydrophobicContact CG1-CD1 3.93Å; V30-L97 HydrophobicContact CG1-CD2 4.08Å; V30-L97 HydrophobicContact CG1-CG 3.91Å; V30-L97 HydrophobicContact CG2-CG 4.44Å
31S93.7Very high92.6Very high93 Ų9355.5 Ų55.565%0.6527%0.27SS*.Hα-helixtrans-63.6-47.6177.3650000112.1N28 Q29 G34 K35N28-S31 PolarHBondContact O-OG 3.41Å; Q29-S31 PolarHBondContact O-N 2.6Å; S31-G34 PolarHBondContact O-N 2.83Å; S31-K35 PolarHBondContact O-N 2.71Å
32C93.3Very high92.7Very high22 Ų2250 Ų5015%0.14924%0.243CC..Hα-helixtrans-57.6-53.3173.8165.70000111.4Q29 G34 K35 L36 C175Q29-C32 WeakPolarHBondContact O-CB 3.36Å; Q29-C32 PolarHBondContact O-N 3.34Å; C32-G34 VanDerWaalsContact C-N 3.25Å; C32-G34 PolarHBondContact O-N 2.89Å; C32-K35 WeakPolarHBondContact O-CA 3.39Å; C32-K35 WeakPolarHBondContact O-CB 3.37Å; C32-K35 PolarHBondContact O-N 2.79Å; C32-L36 PolarHBondContact O-N 3.14Å; C32-C175 HydrophobicContact CB-CB 4.38Å; C32-C175 WeakPolarHBondContact CB-SG 3.47Å; C32-C175 WeakPolarHBondContact SG-CB 3.36Å; C32-C175 CovalentContact SG-SG 2.04Å; C32-C175 PolarHBondContact SG-SG 3.16Å
33L94.6Very high92.8Very high2 Ų259.3 Ų59.31%0.0128%0.276CS..Hα-helixtrans-60.6-37.5179.3-66.3177.8000112.1Q29 K35 L36 R37 I89 F92 C93 L117 C175 L179Q29-L33 WeakPolarHBondContact O-CG 3.37Å; Q29-L33 PolarHBondContact O-N 3.33Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.23Å; L33-L36 HydrophobicContact CD2-CD1 4.34Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-R37 PolarHBondContact O-N 3.33Å; L33-I89 HydrophobicContact CB-CG2 3.82Å; L33-I89 HydrophobicContact CD1-CG2 4.39Å; L33-I89 HydrophobicContact CD2-CG2 4.05Å; L33-I89 HydrophobicContact CG-CG2 4.31Å; L33-F92 HydrophobicContact CD1-CD1 3.45Å; L33-F92 VanDerWaalsContact CD1-CD1 3.45Å; L33-F92 HydrophobicContact CD1-CE1 3.65Å; L33-C93 VanDerWaalsContact CB-SG 3.51Å; L33-L117 HydrophobicContact CD2-CD1 4.33Å; L33-L117 HydrophobicContact CD2-CD2 3.72Å; L33-L117 HydrophobicContact CD2-CG 4.49Å; L33-C175 HydrophobicContact CD2-CB 4.42Å; L33-L179 HydrophobicContact CD1-CD1 4.29Å
34G93.6Very high93.1Very high14 Ų1460.3 Ų60.314%0.14428%0.281CS..Hα-helixtrans-63-37.1174.300000112.8V30 S31 C32 R38V30-G34 PolarHBondContact O-N 2.98Å; S31-G34 PolarHBondContact O-N 2.83Å; C32-G34 VanDerWaalsContact C-N 3.25Å; C32-G34 PolarHBondContact O-N 2.89Å; G34-R38 WeakPolarHBondContact O-CG 3.38Å; G34-R38 PolarHBondContact O-N 3.48Å
35K93.9Very high93.4Very high110 Ų11064 Ų6448%0.47829%0.293SS..Hα-helixtrans-66.8-50.7173.6-173.8-175.7177.3-168.20111S31 C32 L33 R37 R38 T39 E171S31-K35 PolarHBondContact O-N 2.71Å; C32-K35 WeakPolarHBondContact O-CA 3.39Å; C32-K35 WeakPolarHBondContact O-CB 3.37Å; C32-K35 PolarHBondContact O-N 2.79Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.23Å; K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 2.9Å; K35-R38 WeakPolarHBondContact O-CB 3.46Å; K35-R38 PolarHBondContact O-N 3.38Å; K35-T39 PolarHBondContact O-N 3.29Å; K35-T39 PolarHBondContact O-OG1 3.34Å; K35-T39 VanDerWaalsContact O-OG1 3.13Å; K35-E171 WeakPolarHBondContact CD-OE1 3.32Å; K35-E171 WeakPolarHBondContact CE-OE1 3.35Å; K35-E171 IonicContact NZ-OE1 2.8Å; K35-E171 PolarHBondContact NZ-OE1 2.97Å
36L94.6Very high93.7Very high0 Ų061.2 Ų61.20%029%0.285CS..Hα-helixtrans-52.9-43.5176.3-75170.4000112.3C32 L33 R38 T39 W40 E171 V172C32-L36 PolarHBondContact O-N 3.14Å; L33-L36 HydrophobicContact CD2-CD1 4.34Å; L33-L36 PolarHBondContact O-N 2.89Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.46Å; L36-T39 WeakPolarHBondContact O-CB 3.46Å; L36-T39 PolarHBondContact O-N 3.03Å; L36-W40 PolarHBondContact O-N 3.47Å; L36-E171 HydrophobicContact CD1-CB 4.36Å; L36-E171 HydrophobicContact CD2-CB 3.84Å; L36-E171 WeakPolarHBondContact CD2-OE2 3.21Å; L36-E171 HydrophobicContact CG-CB 4.21Å; L36-V172 HydrophobicContact CD1-CG2 3.63Å; L36-V172 HydrophobicContact CD2-CG2 3.83Å; L36-V172 HydrophobicContact CG-CG2 4.38Å
37R94Very high94.1Very high114 Ų11461.2 Ų61.243%0.4329%0.285SS..Hα-helixtrans-61.7-38.4176.6-170.1-177.170.21604.1112.6L33 K35 W40 S41 S90L33-R37 PolarHBondContact O-N 3.33Å; K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 2.9Å; R37-W40 CarbonylContact O-C 3.57Å; R37-S41 WeakPolarHBondContact O-CB 3.43Å; R37-S41 PolarHBondContact O-N 3.41Å; R37-S90 PolarHBondContact NH1-OG 2.93Å
38R93.4Very high94.3Very high181 Ų18161.7 Ų61.768%0.68329%0.289SS*.Hα-helixtrans-70.7-41.8177.8-67.4174.6-151.7174.73.8111G34 K35 L36 W40 S41G34-R38 WeakPolarHBondContact O-CG 3.38Å; G34-R38 PolarHBondContact O-N 3.48Å; K35-R38 WeakPolarHBondContact O-CB 3.46Å; K35-R38 PolarHBondContact O-N 3.38Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.46Å; R38-W40 VanDerWaalsContact C-N 3.34Å; R38-W40 PolarHBondContact O-N 3.31Å; R38-S41 PolarHBondContact O-N 2.88Å; R38-S41 PolarHBondContact O-OG 2.87Å
39T95.5Very high94.5Very high23 Ų2359.9 Ų59.914%0.14128%0.279CS..Hα-helixtrans-54.7-51.2176.8-56.60000110.3K35 L36 S41 N44 Q164K35-T39 PolarHBondContact O-N 3.29Å; K35-T39 PolarHBondContact O-OG1 3.34Å; K35-T39 VanDerWaalsContact O-OG1 3.13Å; L36-T39 WeakPolarHBondContact O-CB 3.46Å; L36-T39 PolarHBondContact O-N 3.03Å; T39-S41 VanDerWaalsContact C-N 3.31Å; T39-S41 PolarHBondContact O-N 3.4Å; T39-N44 WeakPolarHBondContact O-CB 3.18Å; T39-N44 PolarHBondContact O-ND2 3.36Å; T39-Q164 HydrophobicContact CG2-CB 4.09Å; T39-Q164 HydrophobicContact CG2-CG 4.45Å
40W95.9Very high94.7Very high0 Ų059 Ų590%027%0.274CS..THydrogen-bonded Turntrans-94.443.4179.9-55.4112000112.7L36 R37 R38 I47 L77 L80 C81 L86 V124 L127 S168L36-W40 PolarHBondContact O-N 3.47Å; R37-W40 CarbonylContact O-C 3.57Å; R38-W40 VanDerWaalsContact C-N 3.34Å; R38-W40 PolarHBondContact O-N 3.31Å; W40-I47 HydrophobicContact CE3-CD1 4.17Å; W40-L77 HydrophobicContact CZ3-CD2 4.04Å; W40-L80 HydrophobicContact CD2-CD1 4.37Å; W40-L80 HydrophobicContact CE3-CB 4.25Å; W40-L80 HydrophobicContact CE3-CD1 3.91Å; W40-L80 HydrophobicContact CH2-CD1 4.45Å; W40-L80 HydrophobicContact CZ3-CD1 3.96Å; W40-C81 WeakPolarHBondContact O-CA 3.5Å; W40-L86 HydrophobicContact CB-CD1 4.25Å; W40-L86 WeakPolarHBondContact O-CD1 3.43Å; W40-V124 HydrophobicContact CZ2-CG1 4.04Å; W40-V124 HydrophobicContact CZ2-CG2 3.83Å; W40-L127 HydrophobicContact CH2-CD2 3.5Å; W40-L127 VanDerWaalsContact CH2-CD2 3.5Å; W40-L127 HydrophobicContact CZ3-CD2 3.49Å; W40-L127 VanDerWaalsContact CZ3-CD2 3.49Å; W40-S168 VanDerWaalsContact CZ2-OG 3.32Å; W40-S168 WeakPolarHBondContact CZ2-OG 3.21Å; W40-S168 PolarHBondContact NE1-OG 3.38Å
41S93.8Very high94.7Very high29 Ų2960.1 Ų60.120%0.20328%0.279CS..SBendtrans-113.7156172.8740000111.4R37 R38 T39 R43 N44R37-S41 WeakPolarHBondContact O-CB 3.43Å; R37-S41 PolarHBondContact O-N 3.41Å; R38-S41 PolarHBondContact O-N 2.88Å; R38-S41 PolarHBondContact O-OG 2.87Å; T39-S41 VanDerWaalsContact C-N 3.31Å; T39-S41 PolarHBondContact O-N 3.4Å; S41-R43 PolarHBondContact O-N 3.35Å; S41-R43 PolarHBondContact OG-N 3.02Å; S41-N44 WeakPolarHBondContact O-CB 3.41Å; S41-N44 PolarHBondContact O-N 3.15Å
42Y92.7Very high94.9Very high54 Ų5462 Ų6221%0.21228%0.279CS..THydrogen-bonded Turntrans-65-0.2168.6-69.5-60.7000114.3N44 I47 L48 A78 C81 D82 F233Y42-N44 VanDerWaalsContact C-N 3.33Å; Y42-I47 HydrophobicContact CD1-CG2 4.04Å; Y42-I47 HydrophobicContact CE1-CG2 4.4Å; Y42-L48 WeakPolarHBondContact O-CD1 3.49Å; Y42-L48 WeakPolarHBondContact O-CD2 3.38Å; Y42-L48 WeakPolarHBondContact O-CG 3.32Å; Y42-A78 WeakPolarHBondContact OH-CA 3.23Å; Y42-C81 HydrophobicContact CD1-CB 4.03Å; Y42-C81 HydrophobicContact CD2-CB 3.86Å; Y42-C81 HydrophobicContact CE1-CB 3.77Å; Y42-C81 HydrophobicContact CE2-CB 3.59Å; Y42-C81 HydrophobicContact CG-CB 4.09Å; Y42-D82 WeakPolarHBondContact CE2-OD1 3.28Å; Y42-D82 WeakPolarHBondContact CE2-OD2 3.46Å; Y42-D82 PolarHBondContact OH-OD2 2.69Å; Y42-F233 HydrophobicContact CD1-CE1 4.29Å; Y42-F233 HydrophobicContact CD1-CE2 4.28Å; Y42-F233 AromaticContact CD1-CZ 3.46Å; Y42-F233 HydrophobicContact CD1-CZ 3.46Å; Y42-F233 VanDerWaalsContact CD1-CZ 3.46Å; Y42-F233 HydrophobicContact CD2-CZ 4.3Å; Y42-F233 HydrophobicContact CE1-CE2 4.11Å; Y42-F233 AromaticContact CE1-CZ 3.71Å; Y42-F233 HydrophobicContact CE1-CZ 3.71Å; Y42-F233 HydrophobicContact CE2-CZ 4.49Å; Y42-F233 HydrophobicContact CG-CE1 4.35Å; Y42-F233 AromaticContact CG-CZ 3.77Å; Y42-F233 HydrophobicContact CG-CZ 3.77Å
43R91.9Very high95Very high225 Ų22561.2 Ų61.285%0.84927%0.273SS*.THydrogen-bonded Turntrans-86-10.6168.7-60.8-177.3179.5177-0.4112.1S41 K45S41-R43 PolarHBondContact O-N 3.35Å; S41-R43 PolarHBondContact OG-N 3.02Å; R43-K45 PolarHBondContact O-N 3.38Å
44N95.7Very high95.1Very high23 Ų2363.1 Ų63.112%0.12328%0.28CS..  trans-66.6127.1174.8-171.6-54000110.4T39 S41 Y42 D46 I47 L48 Q164T39-N44 WeakPolarHBondContact O-CB 3.18Å; T39-N44 PolarHBondContact O-ND2 3.36Å; S41-N44 WeakPolarHBondContact O-CB 3.41Å; S41-N44 PolarHBondContact O-N 3.15Å; Y42-N44 VanDerWaalsContact C-N 3.33Å; N44-D46 PolarHBondContact O-N 3.01Å; N44-D46 PolarHBondContact OD1-N 2.68Å; N44-I47 HydrophobicContact CB-CB 4.11Å; N44-I47 HydrophobicContact CB-CD1 3.87Å; N44-I47 HydrophobicContact CB-CG1 3.88Å; N44-I47 PolarHBondContact O-N 3.39Å; N44-L48 WeakPolarHBondContact O-CG 3.33Å; N44-L48 PolarHBondContact O-N 3.27Å; N44-Q164 PolarHBondContact ND2-OE1 3.03Å
45K95.7Very high95.2Very high162 Ų16267 Ų6770%0.70430%0.297SS*.Hα-helixtrans-61.4-42.6-176-66.5-177.8-178.8178.20112.3R43 I47 L48 I49R43-K45 PolarHBondContact O-N 3.38Å; K45-I47 VanDerWaalsContact C-N 3.32Å; K45-I47 PolarHBondContact O-N 3.27Å; K45-L48 PolarHBondContact O-N 2.74Å; K45-I49 WeakPolarHBondContact O-CB 3.25Å; K45-I49 WeakPolarHBondContact O-CD1 3.46Å; K45-I49 WeakPolarHBondContact O-CG1 3.38Å; K45-I49 PolarHBondContact O-N 3.48Å
46D96.3Very high95.3Very high41 Ų4168.8 Ų68.822%0.21930%0.3CS..Hα-helixtrans-67.3-37.6-178.1-67.4-26.8000111.2N44 S50 V157 L161 Q164N44-D46 PolarHBondContact O-N 3.01Å; N44-D46 PolarHBondContact OD1-N 2.68Å; D46-S50 VanDerWaalsContact O-CB 3.23Å; D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.44Å; D46-V157 HydrophobicContact CB-CG1 4.41Å; D46-V157 WeakPolarHBondContact O-CG1 3.37Å; D46-L161 HydrophobicContact CB-CD2 3.88Å; D46-L161 HydrophobicContact CB-CG 4.1Å; D46-Q164 PolarHBondContact OD2-NE2 2.9Å
47I96.6Very high95.3Very high4 Ų470.6 Ų70.62%0.02131%0.309CS..Hα-helixtrans-66.9-43.9175.4-58.2-175.7000110.6W40 Y42 N44 K45 S50 H51 L77 C81 L161W40-I47 HydrophobicContact CE3-CD1 4.17Å; Y42-I47 HydrophobicContact CD1-CG2 4.04Å; Y42-I47 HydrophobicContact CE1-CG2 4.4Å; N44-I47 HydrophobicContact CB-CB 4.11Å; N44-I47 HydrophobicContact CB-CD1 3.87Å; N44-I47 HydrophobicContact CB-CG1 3.88Å; N44-I47 PolarHBondContact O-N 3.39Å; K45-I47 VanDerWaalsContact C-N 3.32Å; K45-I47 PolarHBondContact O-N 3.27Å; I47-S50 WeakPolarHBondContact O-CB 3.29Å; I47-S50 PolarHBondContact O-N 3Å; I47-H51 PolarHBondContact O-N 3.36Å; I47-L77 HydrophobicContact CD1-CD2 4.44Å; I47-L77 HydrophobicContact CG1-CD2 4.33Å; I47-C81 VanDerWaalsContact CD1-SG 3.58Å; I47-L161 HydrophobicContact CG1-CD2 3.9Å
48L96Very high95.4Very high60 Ų6068.7 Ų68.731%0.31430%0.303SS..Hα-helixtrans-61.3-49176.2-76.9170.9000112Y42 N44 K45 S50 H51 M52 F233Y42-L48 WeakPolarHBondContact O-CD1 3.49Å; Y42-L48 WeakPolarHBondContact O-CD2 3.38Å; Y42-L48 WeakPolarHBondContact O-CG 3.32Å; N44-L48 WeakPolarHBondContact O-CG 3.33Å; N44-L48 PolarHBondContact O-N 3.27Å; K45-L48 PolarHBondContact O-N 2.74Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 2.95Å; L48-H51 WeakPolarHBondContact O-CB 3.3Å; L48-H51 PolarHBondContact O-N 3.15Å; L48-M52 WeakPolarHBondContact O-CG 3.39Å; L48-M52 PolarHBondContact O-N 3.47Å; L48-F233 HydrophobicContact CD2-CE1 4.18Å
49I96.3Very high95.4Very high66 Ų6666.1 Ų66.134%0.33830%0.303SS..Hα-helixtrans-61.8-43.5178.5-65.5164.3000109.7K45 H51 M52 I53 V157K45-I49 WeakPolarHBondContact O-CB 3.25Å; K45-I49 WeakPolarHBondContact O-CD1 3.46Å; K45-I49 WeakPolarHBondContact O-CG1 3.38Å; K45-I49 PolarHBondContact O-N 3.48Å; I49-H51 VanDerWaalsContact C-N 3.29Å; I49-H51 PolarHBondContact O-N 3.37Å; I49-M52 PolarHBondContact O-N 2.9Å; I49-M52 VanDerWaalsContact O-N 3.14Å; I49-I53 HydrophobicContact CG2-CD1 3.89Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 VanDerWaalsContact O-CG1 3.28Å; I49-I53 WeakPolarHBondContact O-CG1 3.23Å; I49-I53 PolarHBondContact O-N 3.2Å; I49-V157 HydrophobicContact CB-CG2 4.17Å; I49-V157 HydrophobicContact CG2-CG2 3.57Å
50S96.6Very high95.3Very high0 Ų070.8 Ų70.80%032%0.323CS..Hα-helixtrans-53.7-47174.8-177.50000111.9D46 I47 L48 I53 Y54 F70D46-S50 VanDerWaalsContact O-CB 3.23Å; D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.44Å; I47-S50 WeakPolarHBondContact O-CB 3.29Å; I47-S50 PolarHBondContact O-N 3Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 2.95Å; S50-I53 PolarHBondContact O-N 3.48Å; S50-Y54 PolarHBondContact O-N 2.84Å; S50-Y54 VanDerWaalsContact O-N 3.13Å; S50-F70 WeakPolarHBondContact O-CZ 3.39Å; S50-F70 WeakPolarHBondContact OG-CZ 3.48Å
51H95.5Very high95.2Very high39 Ų3970.8 Ų70.818%0.18132%0.324CS..Hα-helixtrans-64.5-41.5177.9-164.399.1000112.3I47 L48 I49 Y54 I55 F233I47-H51 PolarHBondContact O-N 3.36Å; L48-H51 WeakPolarHBondContact O-CB 3.3Å; L48-H51 PolarHBondContact O-N 3.15Å; I49-H51 VanDerWaalsContact C-N 3.29Å; I49-H51 PolarHBondContact O-N 3.37Å; H51-Y54 PolarHBondContact O-N 2.96Å; H51-I55 WeakPolarHBondContact CD2-CD1 3.41Å; H51-I55 WeakPolarHBondContact NE2-CD1 3.22Å; H51-I55 WeakPolarHBondContact O-CG1 3.36Å; H51-I55 PolarHBondContact O-N 3.09Å; H51-F233 AromaticContact CE1-CE2 4Å
52M96.4Very high95.1Very high132 Ų13274 Ų7465%0.6534%0.335SS*.Hα-helixtrans-64-43.9177.3-73.8-177.4160.700112.6L48 I49 Y54 I55 R56L48-M52 WeakPolarHBondContact O-CG 3.39Å; L48-M52 PolarHBondContact O-N 3.47Å; I49-M52 PolarHBondContact O-N 2.9Å; I49-M52 VanDerWaalsContact O-N 3.14Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.33Å; M52-I55 PolarHBondContact O-N 3.17Å; M52-R56 VanDerWaalsContact O-CB 3.32Å; M52-R56 WeakPolarHBondContact O-CB 3.38Å; M52-R56 PolarHBondContact O-N 2.74Å
53I96.2Very high95.1Very high6 Ų679 Ų793%0.03136%0.358CS..Hα-helixtrans-56.4-47.6174.7-67.3165.6000109.7I49 S50 R56 F57 F70 L153 I154 V157I49-I53 HydrophobicContact CG2-CD1 3.89Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 VanDerWaalsContact O-CG1 3.28Å; I49-I53 WeakPolarHBondContact O-CG1 3.23Å; I49-I53 PolarHBondContact O-N 3.2Å; S50-I53 PolarHBondContact O-N 3.48Å; I53-R56 PolarHBondContact O-N 2.87Å; I53-F57 HydrophobicContact CG2-CD2 3.99Å; I53-F57 WeakPolarHBondContact O-CD2 3.5Å; I53-F57 PolarHBondContact O-N 3.27Å; I53-F70 HydrophobicContact CB-CE1 4.05Å; I53-F70 HydrophobicContact CB-CZ 4.01Å; I53-F70 HydrophobicContact CD1-CZ 4.35Å; I53-F70 HydrophobicContact CG2-CE1 3.69Å; I53-F70 HydrophobicContact CG2-CZ 3.92Å; I53-L153 HydrophobicContact CD1-CD2 3.86Å; I53-L153 HydrophobicContact CD1-CG 3.7Å; I53-L153 HydrophobicContact CG1-CD2 3.72Å; I53-L153 HydrophobicContact CG1-CG 4.16Å; I53-I154 HydrophobicContact CD1-CG1 4.39Å; I53-I154 HydrophobicContact CG2-CD1 4.22Å; I53-I154 HydrophobicContact CG2-CG1 3.84Å; I53-V157 HydrophobicContact CD1-CG2 4.02Å
54Y96.5Very high95.3Very high42 Ų4271.5 Ų71.517%0.16533%0.331CS..Hα-helixtrans-59.1-51.7179.4176.3-98.4000111.8S50 H51 M52 R56 F57 K58 F67 S71S50-Y54 PolarHBondContact O-N 2.84Å; S50-Y54 VanDerWaalsContact O-N 3.13Å; H51-Y54 PolarHBondContact O-N 2.96Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.33Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 3.43Å; Y54-F57 PolarHBondContact O-N 3.13Å; Y54-K58 HydrophobicContact CE1-CD 4.16Å; Y54-K58 HydrophobicContact CE2-CB 4.32Å; Y54-K58 WeakPolarHBondContact O-CA 3.42Å; Y54-K58 WeakPolarHBondContact O-CB 3.34Å; Y54-K58 PolarHBondContact O-N 3.45Å; Y54-F67 AromaticContact CD2-CE1 3.95Å; Y54-F67 HydrophobicContact CD2-CE1 3.95Å; Y54-F67 AromaticContact CD2-CZ 3.91Å; Y54-F67 HydrophobicContact CD2-CZ 3.91Å; Y54-F67 HydrophobicContact CE2-CE1 4.13Å; Y54-S71 WeakPolarHBondContact CE2-OG 3.4Å
55I95.7Very high95.2Very high95 Ų9574.8 Ų74.849%0.48735%0.349SS..Hα-helixtrans-57.2-45.4178.8-69.6177.2000110.9H51 M52 F57H51-I55 WeakPolarHBondContact CD2-CD1 3.41Å; H51-I55 WeakPolarHBondContact NE2-CD1 3.22Å; H51-I55 WeakPolarHBondContact O-CG1 3.36Å; H51-I55 PolarHBondContact O-N 3.09Å; M52-I55 PolarHBondContact O-N 3.17Å; I55-F57 PolarHBondContact O-N 3.41Å
56R95.8Very high95.2Very high148 Ų14867.1 Ų67.156%0.55832%0.315SS*.Hα-helixtrans-65.8-38.7-174.5-178.462.6179.199.8-4.5112.8M52 I53 Y54M52-R56 VanDerWaalsContact O-CB 3.32Å; M52-R56 WeakPolarHBondContact O-CB 3.38Å; M52-R56 PolarHBondContact O-N 2.74Å; I53-R56 PolarHBondContact O-N 2.87Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 3.43Å
57F95.5Very high95.2Very high39 Ų3965.3 Ų65.317%0.17131%0.306CS..Hα-helixtrans-112.2-5.6-168.8-65-71.4000115I53 Y54 I55 N59 Q60 L61 F67 V150I53-F57 HydrophobicContact CG2-CD2 3.99Å; I53-F57 WeakPolarHBondContact O-CD2 3.5Å; I53-F57 PolarHBondContact O-N 3.27Å; Y54-F57 PolarHBondContact O-N 3.13Å; I55-F57 PolarHBondContact O-N 3.41Å; F57-N59 VanDerWaalsContact C-N 3.28Å; F57-N59 PolarHBondContact O-N 2.96Å; F57-N59 VanDerWaalsContact O-N 3.15Å; F57-Q60 PolarHBondContact O-N 2.85Å; F57-L61 HydrophobicContact CB-CD1 3.69Å; F57-L61 HydrophobicContact CB-CG 4.07Å; F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CG-CD1 4.05Å; F57-L61 PolarHBondContact O-N 3.46Å; F57-F67 HydrophobicContact CB-CE2 3.85Å; F57-F67 HydrophobicContact CB-CZ 4.19Å; F57-V150 HydrophobicContact CD1-CG2 4.41Å; F57-V150 HydrophobicContact CD2-CG1 4.09Å; F57-V150 HydrophobicContact CE1-CG2 3.79Å; F57-V150 HydrophobicContact CE2-CG1 4.09Å; F57-V150 HydrophobicContact CE2-CG2 4.17Å; F57-V150 HydrophobicContact CG-CG1 4.4Å; F57-V150 HydrophobicContact CZ-CG1 4.39Å; F57-V150 HydrophobicContact CZ-CG2 3.66Å
58K94.7Very high95.2Very high73 Ų7369.5 Ų69.532%0.31732%0.323SS..Hα-helixtrans-50.2-45.7-176.562.9-179.8-170.7177.20113.5Y54 Q60 H62 F67Y54-K58 HydrophobicContact CE1-CD 4.16Å; Y54-K58 HydrophobicContact CE2-CB 4.32Å; Y54-K58 WeakPolarHBondContact O-CA 3.42Å; Y54-K58 WeakPolarHBondContact O-CB 3.34Å; Y54-K58 PolarHBondContact O-N 3.45Å; K58-Q60 VanDerWaalsContact C-N 3.32Å; K58-Q60 PolarHBondContact O-N 2.89Å; K58-H62 WeakPolarHBondContact O-CB 3.39Å; K58-H62 PolarHBondContact O-N 2.97Å; K58-H62 PolarHBondContact O-ND1 3.32Å; K58-F67 HydrophobicContact CB-CE1 4.17Å; K58-F67 HydrophobicContact CB-CZ 4.31Å
59N93.4Very high95.2Very high128 Ų12866.8 Ų66.868%0.68431%0.31SS*.Hα-helixtrans-69.1-32.9-176.2-65.1-13.8000112.2F57 H62F57-N59 VanDerWaalsContact C-N 3.28Å; F57-N59 PolarHBondContact O-N 2.96Å; F57-N59 VanDerWaalsContact O-N 3.15Å; N59-H62 PolarHBondContact O-CE1 3.29Å; N59-H62 PolarHBondContact O-ND1 3.43Å
60Q93.4Very high95.3Very high120 Ų12063.7 Ų63.756%0.56129%0.294SS*.Hα-helixtrans-84.4-37-177.7-63.1177.65.600112.2F57 K58F57-Q60 PolarHBondContact O-N 2.85Å; K58-Q60 VanDerWaalsContact C-N 3.32Å; K58-Q60 PolarHBondContact O-N 2.89Å
61L93.9Very high95.3Very high1 Ų164.6 Ų64.61%0.00530%0.3CS..Hα-helixtrans-110.4-4.3-166.9-58-178000114.7F57 K63 F64 F66 F67 F147 V150F57-L61 HydrophobicContact CB-CD1 3.69Å; F57-L61 HydrophobicContact CB-CG 4.07Å; F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CG-CD1 4.05Å; F57-L61 PolarHBondContact O-N 3.46Å; L61-K63 PolarHBondContact O-N 3.4Å; L61-F64 HydrophobicContact CB-CD2 4.31Å; L61-F64 HydrophobicContact CD2-CD2 3.99Å; L61-F64 HydrophobicContact CD2-CE2 4Å; L61-F64 WeakPolarHBondContact O-CD2 3.49Å; L61-F64 PolarHBondContact O-N 3.02Å; L61-F66 HydrophobicContact CD1-CE2 4.26Å; L61-F66 HydrophobicContact CD1-CZ 3.97Å; L61-F66 HydrophobicContact CD2-CZ 4.35Å; L61-F67 HydrophobicContact CB-CB 3.93Å; L61-F67 HydrophobicContact CB-CD1 4.08Å; L61-F67 HydrophobicContact CB-CD2 3.58Å; L61-F67 HydrophobicContact CB-CE2 4.07Å; L61-F67 HydrophobicContact CB-CG 3.56Å; L61-F67 HydrophobicContact CD1-CD2 3.96Å; L61-F67 HydrophobicContact CD1-CE2 4.27Å; L61-F67 HydrophobicContact CG-CD2 4.42Å; L61-F67 VanDerWaalsContact O-CB 3.22Å; L61-F67 WeakPolarHBondContact O-CB 3.5Å; L61-F147 HydrophobicContact CD2-CD1 4.01Å; L61-F147 HydrophobicContact CD2-CD2 4.3Å; L61-F147 HydrophobicContact CD2-CE1 3.86Å; L61-F147 HydrophobicContact CD2-CE2 4.16Å; L61-F147 HydrophobicContact CD2-CG 4.23Å; L61-F147 HydrophobicContact CD2-CZ 3.94Å; L61-V150 HydrophobicContact CD1-CG1 3.91Å
62H91.9Very high95.3Very high96 Ų9663.6 Ų63.644%0.44430%0.297SS..THydrogen-bonded Turntrans-53.3-26.4-17564.7-75.3000115.8K58 N59 K68K58-H62 WeakPolarHBondContact O-CB 3.39Å; K58-H62 PolarHBondContact O-N 2.97Å; K58-H62 PolarHBondContact O-ND1 3.32Å; N59-H62 PolarHBondContact O-CE1 3.29Å; N59-H62 PolarHBondContact O-ND1 3.43Å; H62-K68 WeakPolarHBondContact O-CE 3.48Å; H62-K68 WeakPolarHBondContact O-CG 3.07Å
63K93.3Very high95.4Very high158 Ų15857.3 Ų57.369%0.68727%0.266SS*.THydrogen-bonded Turntrans-79.1-23.4-179.3-60.6-173.4178.5178.70113.1L61L61-K63 PolarHBondContact O-N 3.4Å
64F94.9Very high95.4Very high68 Ų6858.2 Ų58.230%0.29827%0.27SS..SBendtrans-79.2140.6-174.9-63-89.9000111.8L61 F66 F67 K68 F147L61-F64 HydrophobicContact CB-CD2 4.31Å; L61-F64 HydrophobicContact CD2-CD2 3.99Å; L61-F64 HydrophobicContact CD2-CE2 4Å; L61-F64 WeakPolarHBondContact O-CD2 3.49Å; L61-F64 PolarHBondContact O-N 3.02Å; F64-F66 HydrophobicContact CB-CD1 3.61Å; F64-F66 HydrophobicContact CB-CE1 3.36Å; F64-F66 HydrophobicContact CB-CZ 4.25Å; F64-F66 HydrophobicContact CD1-CE1 4.23Å; F64-F66 HydrophobicContact CD2-CE1 4.5Å; F64-F66 HydrophobicContact CG-CD1 4.44Å; F64-F66 AromaticContact CG-CE1 3.8Å; F64-F66 HydrophobicContact CG-CE1 3.8Å; F64-F66 PolarHBondContact O-N 3.19Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; F64-K68 PolarHBondContact O-N 2.96Å; F64-F147 AromaticContact CE1-CE2 3.87Å; F64-F147 HydrophobicContact CE1-CE2 3.87Å; F64-F147 HydrophobicContact CE2-CE2 4.02Å; F64-F147 HydrophobicContact CE2-CZ 4.17Å; F64-F147 AromaticContact CZ-CE2 3.58Å; F64-F147 HydrophobicContact CZ-CE2 3.58Å; F64-F147 AromaticContact CZ-CZ 3.91Å; F64-F147 HydrophobicContact CZ-CZ 3.91Å
65L94.3Very high95.3Very high92 Ų9259.4 Ų59.448%0.48227%0.274SS..Hα-helixtrans-60.4-44.7-175.5-175.862.8000112.4F67 K68 S69 L220 F222L65-F67 PolarHBondContact O-N 3.32Å; L65-K68 WeakPolarHBondContact O-CB 3.2Å; L65-K68 PolarHBondContact O-N 3.44Å; L65-K68 VanDerWaalsContact O-N 3.17Å; L65-S69 PolarHBondContact O-N 2.96Å; L65-S69 PolarHBondContact O-OG 3.05Å; L65-L220 HydrophobicContact CD1-CD1 4.09Å; L65-F222 HydrophobicContact CD1-CE2 4.24Å; L65-F222 HydrophobicContact CD1-CZ 4.42Å
66F95Very high95.3Very high1 Ų155.1 Ų55.10%0.00425%0.252CS..Hα-helixtrans-58.4-37.5177.577.9-90.1000112.1L61 F64 S69 F70 Q141 L151 I154L61-F66 HydrophobicContact CD1-CE2 4.26Å; L61-F66 HydrophobicContact CD1-CZ 3.97Å; L61-F66 HydrophobicContact CD2-CZ 4.35Å; F64-F66 HydrophobicContact CB-CD1 3.61Å; F64-F66 HydrophobicContact CB-CE1 3.36Å; F64-F66 HydrophobicContact CB-CZ 4.25Å; F64-F66 HydrophobicContact CD1-CE1 4.23Å; F64-F66 HydrophobicContact CD2-CE1 4.5Å; F64-F66 HydrophobicContact CG-CD1 4.44Å; F64-F66 AromaticContact CG-CE1 3.8Å; F64-F66 HydrophobicContact CG-CE1 3.8Å; F64-F66 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-N 3.02Å; F66-F70 WeakPolarHBondContact O-CB 3.45Å; F66-F70 PolarHBondContact O-N 2.93Å; F66-Q141 HydrophobicContact CB-CB 4.42Å; F66-Q141 HydrophobicContact CD1-CB 3.85Å; F66-Q141 HydrophobicContact CD1-CG 3.57Å; F66-Q141 HydrophobicContact CE1-CB 4.48Å; F66-Q141 HydrophobicContact CE1-CG 3.73Å; F66-Q141 HydrophobicContact CG-CB 4.31Å; F66-Q141 HydrophobicContact CG-CG 4.41Å; F66-L151 HydrophobicContact CD1-CD2 4.29Å; F66-L151 HydrophobicContact CD2-CD2 3.55Å; F66-L151 HydrophobicContact CE1-CD2 4.4Å; F66-L151 HydrophobicContact CE2-CD2 3.7Å; F66-L151 HydrophobicContact CG-CD2 3.87Å; F66-L151 HydrophobicContact CZ-CD2 4.12Å; F66-I154 HydrophobicContact CD2-CD1 4.14Å; F66-I154 HydrophobicContact CE2-CD1 3.88Å
67F96.5Very high95.4Very high4 Ų448.2 Ų48.22%0.01823%0.226CC..Hα-helixtrans-77.1-31.3-179.5-162.3-93.1000112.1Y54 F57 K58 L61 F64 L65 F70 S71Y54-F67 AromaticContact CD2-CE1 3.95Å; Y54-F67 HydrophobicContact CD2-CE1 3.95Å; Y54-F67 AromaticContact CD2-CZ 3.91Å; Y54-F67 HydrophobicContact CD2-CZ 3.91Å; Y54-F67 HydrophobicContact CE2-CE1 4.13Å; F57-F67 HydrophobicContact CB-CE2 3.85Å; F57-F67 HydrophobicContact CB-CZ 4.19Å; K58-F67 HydrophobicContact CB-CE1 4.17Å; K58-F67 HydrophobicContact CB-CZ 4.31Å; L61-F67 HydrophobicContact CB-CB 3.93Å; L61-F67 HydrophobicContact CB-CD1 4.08Å; L61-F67 HydrophobicContact CB-CD2 3.58Å; L61-F67 HydrophobicContact CB-CE2 4.07Å; L61-F67 HydrophobicContact CB-CG 3.56Å; L61-F67 HydrophobicContact CD1-CD2 3.96Å; L61-F67 HydrophobicContact CD1-CE2 4.27Å; L61-F67 HydrophobicContact CG-CD2 4.42Å; L61-F67 VanDerWaalsContact O-CB 3.22Å; L61-F67 WeakPolarHBondContact O-CB 3.5Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; L65-F67 PolarHBondContact O-N 3.32Å; F67-F70 HydrophobicContact CD2-CD1 4.34Å; F67-F70 HydrophobicContact CE2-CD1 4.14Å; F67-F70 PolarHBondContact O-N 3.33Å; F67-S71 WeakPolarHBondContact O-CB 3.16Å; F67-S71 PolarHBondContact O-N 2.91Å
68K96.9Very high95.3Very high91 Ų9147.5 Ų47.540%0.39623%0.228SC..Hα-helixtrans-63.5-45168.4-69.5-179.8178-179.30111.4H62 F64 L65 F70 S71 S72 F222H62-K68 WeakPolarHBondContact O-CE 3.48Å; H62-K68 WeakPolarHBondContact O-CG 3.07Å; F64-K68 PolarHBondContact O-N 2.96Å; L65-K68 WeakPolarHBondContact O-CB 3.2Å; L65-K68 PolarHBondContact O-N 3.44Å; L65-K68 VanDerWaalsContact O-N 3.17Å; K68-F70 PolarHBondContact O-N 2.99Å; K68-S71 WeakPolarHBondContact O-CB 3.1Å; K68-S71 PolarHBondContact O-N 3.34Å; K68-S72 PolarHBondContact O-N 3.46Å; K68-F222 HydrophobicContact CB-CD1 4.35Å; K68-F222 HydrophobicContact CB-CD2 4.45Å; K68-F222 HydrophobicContact CB-CE1 4Å; K68-F222 HydrophobicContact CB-CE2 4.07Å; K68-F222 HydrophobicContact CB-CZ 3.85Å; K68-F222 HydrophobicContact CD-CD2 4.41Å; K68-F222 HydrophobicContact CD-CE2 4.38Å
69S97.2Very high95.2Very high4 Ų448.9 Ų48.93%0.02824%0.235CC..Hα-helixtrans-60.3-43.9173.1-60.80000111.6L65 F66 S71 S72 V73 S137L65-S69 PolarHBondContact O-N 2.96Å; L65-S69 PolarHBondContact O-OG 3.05Å; F66-S69 PolarHBondContact O-N 3.02Å; S69-S71 PolarHBondContact O-N 3.47Å; S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.43Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-V73 PolarHBondContact O-N 3.13Å; S69-S137 PolarHBondContact OG-OG 2.83Å
70F97.6Very high95.2Very high0 Ų043.1 Ų43.10%020%0.204CC..Hα-helixtrans-62.9-40.7176.4-179.4-109.4000112.5S50 I53 F66 F67 K68 S72 V73 R74 C134 I154 L158S50-F70 WeakPolarHBondContact O-CZ 3.39Å; S50-F70 WeakPolarHBondContact OG-CZ 3.48Å; I53-F70 HydrophobicContact CB-CE1 4.05Å; I53-F70 HydrophobicContact CB-CZ 4.01Å; I53-F70 HydrophobicContact CD1-CZ 4.35Å; I53-F70 HydrophobicContact CG2-CE1 3.69Å; I53-F70 HydrophobicContact CG2-CZ 3.92Å; F66-F70 WeakPolarHBondContact O-CB 3.45Å; F66-F70 PolarHBondContact O-N 2.93Å; F67-F70 HydrophobicContact CD2-CD1 4.34Å; F67-F70 HydrophobicContact CE2-CD1 4.14Å; F67-F70 PolarHBondContact O-N 3.33Å; K68-F70 PolarHBondContact O-N 2.99Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.12Å; F70-V73 WeakPolarHBondContact O-CB 3.41Å; F70-V73 PolarHBondContact O-N 2.89Å; F70-R74 PolarHBondContact O-N 3.34Å; F70-C134 WeakPolarHBondContact CA-SG 3.45Å; F70-C134 PolarHBondContact N-SG 3.24Å; F70-I154 HydrophobicContact CD2-CG1 4.41Å; F70-I154 HydrophobicContact CD2-CG2 3.67Å; F70-I154 HydrophobicContact CE2-CG1 4.35Å; F70-I154 HydrophobicContact CE2-CG2 4.05Å; F70-I154 HydrophobicContact CG-CD1 4.48Å; F70-I154 HydrophobicContact CG-CG2 4.3Å; F70-I154 HydrophobicContact CZ-CG1 4.5Å; F70-L158 HydrophobicContact CD2-CD2 4.39Å
71S96.3Very high95.2Very high20 Ų2038 Ų3814%0.1418%0.182CC..Hα-helixtrans-61.4-37.4173-174.40000111.9Y54 F67 K68 S69 R74 R75Y54-S71 WeakPolarHBondContact CE2-OG 3.4Å; F67-S71 WeakPolarHBondContact O-CB 3.16Å; F67-S71 PolarHBondContact O-N 2.91Å; K68-S71 WeakPolarHBondContact O-CB 3.1Å; K68-S71 PolarHBondContact O-N 3.34Å; S69-S71 PolarHBondContact O-N 3.47Å; S71-R74 PolarHBondContact O-N 3.11Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.37Å
72S96.5Very high94.7Very high17 Ų1742.5 Ų42.512%0.11921%0.206CC..Hα-helixtrans-63.4-44.2173.3-165.50000112.5K68 S69 F70 R74 R75 S76K68-S72 PolarHBondContact O-N 3.46Å; S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.43Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 VanDerWaalsContact O-N 3.12Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.12Å; S72-R74 PolarHBondContact O-N 3.37Å; S72-R75 PolarHBondContact O-N 3.33Å; S72-S76 PolarHBondContact O-N 3.25Å; S72-S76 VanDerWaalsContact O-N 3.07Å
73V97.8Very high94.2Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-57.2-49.5172.2170.50000110.4S69 F70 R75 S76 L77 L127 R130 L131 C134 L158S69-V73 PolarHBondContact O-N 3.13Å; F70-V73 WeakPolarHBondContact O-CB 3.41Å; F70-V73 PolarHBondContact O-N 2.89Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.44Å; V73-S76 WeakPolarHBondContact O-CA 3.3Å; V73-S76 WeakPolarHBondContact O-CB 3.49Å; V73-S76 PolarHBondContact O-N 3.29Å; V73-L77 HydrophobicContact CG1-CD1 4.15Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 2.85Å; V73-L127 HydrophobicContact CG1-CD1 4.01Å; V73-R130 HydrophobicContact CG2-CB 4.01Å; V73-R130 WeakPolarHBondContact CG2-O 3.31Å; V73-L131 HydrophobicContact CG1-CD2 3.56Å; V73-L131 HydrophobicContact CG1-CG 4.4Å; V73-L131 HydrophobicContact CG2-CD2 4.18Å; V73-C134 HydrophobicContact CG2-CB 3.75Å; V73-L158 HydrophobicContact CG1-CD2 4.23Å; V73-L158 HydrophobicContact CG2-CD2 4.39Å
74R95.8Very high94.1Very high26 Ų2633.9 Ų33.910%0.09818%0.18CC..Hα-helixtrans-56.8-42.7178.5-171.4-161.270.482.4-5.6112.4F70 S71 S72 S76 L77 A78F70-R74 PolarHBondContact O-N 3.34Å; S71-R74 PolarHBondContact O-N 3.11Å; S72-R74 PolarHBondContact O-N 3.37Å; R74-S76 VanDerWaalsContact C-N 3.34Å; R74-L77 WeakPolarHBondContact O-CB 3.47Å; R74-L77 PolarHBondContact O-N 3.17Å; R74-A78 PolarHBondContact O-N 3.45Å
75R95.5Very high94Very high67 Ų6731.2 Ų31.225%0.25317%0.169SC..Hα-helixtrans-62.8-40.4176.3-72.9-174-67.8174.60.7111.9S71 S72 V73 A78 Q79 G223S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.37Å; S72-R75 PolarHBondContact O-N 3.33Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.44Å; R75-A78 PolarHBondContact O-N 3.2Å; R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.06Å; R75-Q79 VanDerWaalsContact O-N 3.13Å; R75-G223 PolarHBondContact NH1-O 3.41Å
76S96.2Very high94Very high4 Ų427.5 Ų27.53%0.02815%0.149CC..Hα-helixtrans-62-42.5171.8-800000112.9S72 V73 R74 A78 Q79 L80 R130S72-S76 PolarHBondContact O-N 3.25Å; S72-S76 VanDerWaalsContact O-N 3.07Å; V73-S76 WeakPolarHBondContact O-CA 3.3Å; V73-S76 WeakPolarHBondContact O-CB 3.49Å; V73-S76 PolarHBondContact O-N 3.29Å; R74-S76 VanDerWaalsContact C-N 3.34Å; S76-A78 VanDerWaalsContact C-N 3.32Å; S76-A78 PolarHBondContact O-N 3.34Å; S76-Q79 PolarHBondContact O-N 2.83Å; S76-L80 PolarHBondContact O-N 3.37Å; S76-L80 VanDerWaalsContact O-N 3.11Å; S76-R130 WeakPolarHBondContact OG-CD 3.48Å; S76-R130 PolarHBondContact OG-NE 3.14Å; S76-R130 PolarHBondContact OG-NH1 3.28Å
77L96.5Very high93.8Very high4 Ų433 Ų332%0.02118%0.178CC..Hα-helixtrans-61.1-42.5176.6-66.7172.1000111.5W40 I47 V73 R74 Q79 L80 C81 L127 L161W40-L77 HydrophobicContact CZ3-CD2 4.04Å; I47-L77 HydrophobicContact CD1-CD2 4.44Å; I47-L77 HydrophobicContact CG1-CD2 4.33Å; V73-L77 HydrophobicContact CG1-CD1 4.15Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 2.85Å; R74-L77 WeakPolarHBondContact O-CB 3.47Å; R74-L77 PolarHBondContact O-N 3.17Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.09Å; L77-L80 PolarHBondContact O-N 2.87Å; L77-L80 VanDerWaalsContact O-N 3.12Å; L77-C81 PolarHBondContact O-N 2.86Å; L77-C81 PolarHBondContact O-SG 2.93Å; L77-L127 HydrophobicContact CD2-CD1 3.87Å; L77-L127 HydrophobicContact CD2-CD2 3.7Å; L77-L127 HydrophobicContact CD2-CG 4.47Å; L77-L127 HydrophobicContact CG-CD1 4.11Å; L77-L161 HydrophobicContact CD1-CD1 3.69Å; L77-L161 HydrophobicContact CD1-CD2 4.44Å; L77-L161 HydrophobicContact CD2-CD1 4.27Å; L77-L161 HydrophobicContact CD2-CD2 3.96Å
78A94.1Very high93.7Very high24 Ų2433 Ų3320%0.19818%0.18CC..Hα-helixtrans-59.8-43.3176.100000111.4Y42 R74 R75 S76 L80 C81 D82Y42-A78 WeakPolarHBondContact OH-CA 3.23Å; R74-A78 PolarHBondContact O-N 3.45Å; R75-A78 PolarHBondContact O-N 3.2Å; S76-A78 VanDerWaalsContact C-N 3.32Å; S76-A78 PolarHBondContact O-N 3.34Å; A78-L80 PolarHBondContact O-N 3.35Å; A78-C81 PolarHBondContact O-N 3.28Å; A78-D82 WeakPolarHBondContact O-CB 3.47Å; A78-D82 PolarHBondContact O-N 3.17Å
79Q92.3Very high93.5Very high102 Ų10228.8 Ų28.848%0.47716%0.162SC..Hα-helixtrans-68-16.2176.5-71.1178.9-900115.2R75 S76 L77 K123R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.06Å; R75-Q79 VanDerWaalsContact O-N 3.13Å; S76-Q79 PolarHBondContact O-N 2.83Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.09Å; Q79-K123 PolarHBondContact O-NZ 3.06Å
80L93.6Very high93.3Very high6 Ų629.9 Ų29.93%0.03117%0.169CC..Hα-helixtrans-90-39.1173.4-78.8164.6000111.2W40 S76 L77 A78 L86 L120 K123 V124 L127W40-L80 HydrophobicContact CD2-CD1 4.37Å; W40-L80 HydrophobicContact CE3-CB 4.25Å; W40-L80 HydrophobicContact CE3-CD1 3.91Å; W40-L80 HydrophobicContact CH2-CD1 4.45Å; W40-L80 HydrophobicContact CZ3-CD1 3.96Å; S76-L80 PolarHBondContact O-N 3.37Å; S76-L80 VanDerWaalsContact O-N 3.11Å; L77-L80 PolarHBondContact O-N 2.87Å; L77-L80 VanDerWaalsContact O-N 3.12Å; A78-L80 PolarHBondContact O-N 3.35Å; L80-L86 WeakPolarHBondContact O-CD1 3.43Å; L80-L120 HydrophobicContact CD2-CD1 3.66Å; L80-K123 HydrophobicContact CD2-CB 3.51Å; L80-K123 HydrophobicContact CD2-CD 4.41Å; L80-K123 HydrophobicContact CG-CB 4.17Å; L80-V124 HydrophobicContact CD1-CG2 4.45Å; L80-V124 HydrophobicContact CD2-CG2 3.83Å; L80-L127 HydrophobicContact CD1-CB 4.04Å; L80-L127 HydrophobicContact CD1-CD2 3.51Å; L80-L127 HydrophobicContact CD1-CG 4.3Å
81C92.5Very high93.1Very high14 Ų1431.2 Ų31.210%0.09518%0.176CC..Hα-helixtrans-75.8-36.1-179.6-63.40000113W40 Y42 I47 L77 A78W40-C81 WeakPolarHBondContact O-CA 3.5Å; Y42-C81 HydrophobicContact CD1-CB 4.03Å; Y42-C81 HydrophobicContact CD2-CB 3.86Å; Y42-C81 HydrophobicContact CE1-CB 3.77Å; Y42-C81 HydrophobicContact CE2-CB 3.59Å; Y42-C81 HydrophobicContact CG-CB 4.09Å; I47-C81 VanDerWaalsContact CD1-SG 3.58Å; L77-C81 PolarHBondContact O-N 2.86Å; L77-C81 PolarHBondContact O-SG 2.93Å; A78-C81 PolarHBondContact O-N 3.28Å
82D83.6Confident93Very high95 Ų9530.3 Ų30.351%0.50817%0.17SC..SBendtrans-100.2138.7177.4-70.1-47.2000110.5Y42 A78Y42-D82 WeakPolarHBondContact CE2-OD1 3.28Å; Y42-D82 WeakPolarHBondContact CE2-OD2 3.46Å; Y42-D82 PolarHBondContact OH-OD2 2.69Å; A78-D82 WeakPolarHBondContact O-CB 3.47Å; A78-D82 PolarHBondContact O-N 3.17Å
83G82.4Confident92.9Very high29 Ų2930.2 Ų30.230%0.29917%0.169SC..SBendtrans131.1-174.2155.500000116.1I85G83-I85 PolarHBondContact O-N 2.82Å
84P91.1Very high92.7Very high44 Ų4433.1 Ų33.129%0.28619%0.187SC..Hα-helixtrans-65.5-22.8-172.725.6-35000113.2I7 D8 N87 G88I7-P84 HydrophobicContact CD1-CB 4.1Å; I7-P84 HydrophobicContact CD1-CG 4.12Å; I7-P84 HydrophobicContact CG1-CB 3.98Å; I7-P84 HydrophobicContact CG1-CG 3.95Å; D8-P84 HydrophobicContact CB-CB 4.33Å; P84-N87 PolarHBondContact O-N 2.9Å; P84-G88 PolarHBondContact O-N 3.41Å
85I93.2Very high92.5Very high12 Ų1232.1 Ų32.16%0.06218%0.184CC..Hα-helixtrans-62-57.6-179.5-64.5173.4000111.7I7 G83 N87 G88 I89 C116 Q119 L120 K123I7-I85 HydrophobicContact CD1-CB 4.34Å; I7-I85 HydrophobicContact CD1-CG1 3.53Å; G83-I85 PolarHBondContact O-N 2.82Å; I85-N87 VanDerWaalsContact C-N 3.28Å; I85-N87 PolarHBondContact O-N 3.28Å; I85-G88 PolarHBondContact O-N 3.5Å; I85-I89 HydrophobicContact CG2-CD1 4.13Å; I85-I89 WeakPolarHBondContact O-CG1 3.28Å; I85-I89 PolarHBondContact O-N 3.36Å; I85-C116 HydrophobicContact CG2-CB 4.36Å; I85-C116 WeakPolarHBondContact CG2-O 3.11Å; I85-Q119 HydrophobicContact CD1-CB 3.66Å; I85-Q119 HydrophobicContact CG1-CB 4.11Å; I85-L120 HydrophobicContact CG2-CB 3.78Å; I85-L120 HydrophobicContact CG2-CD1 4.32Å; I85-L120 HydrophobicContact CG2-CG 4.49Å; I85-K123 HydrophobicContact CD1-CD 3.44Å; I85-K123 VanDerWaalsContact CD1-CD 3.44Å
86L92.8Very high92.4Very high14 Ų1429.1 Ų29.17%0.07317%0.173CC..Hα-helixtrans-69-31-178.5-66.2-174.7000111.7W40 L80 I89 S90W40-L86 HydrophobicContact CB-CD1 4.25Å; W40-L86 WeakPolarHBondContact O-CD1 3.43Å; L80-L86 WeakPolarHBondContact O-CD1 3.43Å; L86-I89 HydrophobicContact CD2-CD1 4.38Å; L86-S90 VanDerWaalsContact O-CB 3.24Å; L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 3.3Å
87N92.2Very high92.2Very high115 Ų11534.6 Ų34.662%0.61520%0.201SC*.Hα-helixtrans-65.9-43.6173.5-72.7-17.7000111.6P84 I85 S90 N91P84-N87 PolarHBondContact O-N 2.9Å; I85-N87 VanDerWaalsContact C-N 3.28Å; I85-N87 PolarHBondContact O-N 3.28Å; N87-S90 PolarHBondContact O-N 2.84Å; N87-N91 WeakPolarHBondContact O-CB 3.37Å; N87-N91 PolarHBondContact O-N 3.02Å
88G92.8Very high91.9Very high5 Ų541.7 Ų41.75%0.05223%0.232CC..Hα-helixtrans-60.7-47.1174.800000112.3P84 I85 S90 N91 F92P84-G88 PolarHBondContact O-N 3.41Å; I85-G88 PolarHBondContact O-N 3.5Å; G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.23Å; G88-N91 PolarHBondContact O-N 2.91Å; G88-F92 PolarHBondContact O-N 2.85Å
89I93.8Very high91.7Very high3 Ų341 Ų412%0.01523%0.225CC..Hα-helixtrans-59.3-44173.9-67.1168.6000110.9L33 I85 L86 N91 F92 C93 C116 L117 L120L33-I89 HydrophobicContact CB-CG2 3.82Å; L33-I89 HydrophobicContact CD1-CG2 4.39Å; L33-I89 HydrophobicContact CD2-CG2 4.05Å; L33-I89 HydrophobicContact CG-CG2 4.31Å; I85-I89 HydrophobicContact CG2-CD1 4.13Å; I85-I89 WeakPolarHBondContact O-CG1 3.28Å; I85-I89 PolarHBondContact O-N 3.36Å; L86-I89 HydrophobicContact CD2-CD1 4.38Å; I89-N91 VanDerWaalsContact C-N 3.34Å; I89-N91 PolarHBondContact O-N 3.12Å; I89-F92 PolarHBondContact O-N 3Å; I89-C93 PolarHBondContact O-N 3.47Å; I89-C93 PolarHBondContact O-SG 3.27Å; I89-C116 HydrophobicContact CG1-CB 4Å; I89-L117 HydrophobicContact CD1-CD2 4.15Å; I89-L120 HydrophobicContact CD1-CD2 3.78Å
90S93Very high91.5Very high26 Ų2643.6 Ų43.618%0.18224%0.235CC..Hα-helixtrans-64.5-38.5178.6-168.90000112.3R37 L86 N87 G88 C93 T94R37-S90 PolarHBondContact NH1-OG 2.93Å; L86-S90 VanDerWaalsContact O-CB 3.24Å; L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 3.3Å; N87-S90 PolarHBondContact O-N 2.84Å; G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.23Å; S90-C93 PolarHBondContact O-N 3.49Å; S90-T94 WeakPolarHBondContact O-CB 3.36Å; S90-T94 PolarHBondContact O-N 3.41Å; S90-T94 PolarHBondContact O-OG1 3.24Å
91N92.9Very high91.1Very high29 Ų2947.1 Ų47.116%0.15526%0.26CS..Hα-helixtrans-63.7-47.1175.4-176.656.3000110.8N87 G88 I89 C93 T94 M95N87-N91 WeakPolarHBondContact O-CB 3.37Å; N87-N91 PolarHBondContact O-N 3.02Å; G88-N91 PolarHBondContact O-N 2.91Å; I89-N91 VanDerWaalsContact C-N 3.34Å; I89-N91 PolarHBondContact O-N 3.12Å; N91-C93 VanDerWaalsContact C-N 3.34Å; N91-C93 PolarHBondContact O-N 3.24Å; N91-T94 PolarHBondContact O-N 2.99Å; N91-M95 WeakPolarHBondContact O-CB 3.41Å; N91-M95 VanDerWaalsContact O-CG 3.28Å; N91-M95 WeakPolarHBondContact O-CG 3.13Å; N91-M95 PolarHBondContact O-N 2.99Å
92F94.5Very high90.9Very high0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-57.1-45.6174.4175.7-89.5000112.3L33 G88 I89 T94 M95 S96 V105 T109 L110 A113 L179L33-F92 HydrophobicContact CD1-CD1 3.45Å; L33-F92 VanDerWaalsContact CD1-CD1 3.45Å; L33-F92 HydrophobicContact CD1-CE1 3.65Å; G88-F92 PolarHBondContact O-N 2.85Å; I89-F92 PolarHBondContact O-N 3Å; F92-T94 PolarHBondContact O-N 2.96Å; F92-M95 PolarHBondContact O-N 3.15Å; F92-S96 WeakPolarHBondContact CE1-OG 3.47Å; F92-S96 VanDerWaalsContact CZ-OG 3.31Å; F92-S96 WeakPolarHBondContact CZ-OG 3.45Å; F92-S96 VanDerWaalsContact O-CB 3.31Å; F92-S96 WeakPolarHBondContact O-CB 3.35Å; F92-S96 PolarHBondContact O-N 3.19Å; F92-S96 PolarHBondContact O-OG 2.94Å; F92-V105 HydrophobicContact CD2-CG2 4.11Å; F92-V105 HydrophobicContact CE2-CG2 3.6Å; F92-T109 HydrophobicContact CD2-CG2 4.3Å; F92-L110 HydrophobicContact CE2-CD1 3.73Å; F92-L110 HydrophobicContact CZ-CD1 4.31Å; F92-A113 HydrophobicContact CB-CB 3.82Å; F92-A113 HydrophobicContact CD2-CB 3.57Å; F92-A113 HydrophobicContact CE2-CB 4.32Å; F92-A113 HydrophobicContact CG-CB 3.72Å; F92-L179 HydrophobicContact CE1-CD1 4.05Å; F92-L179 HydrophobicContact CE1-CD2 3.96Å; F92-L179 HydrophobicContact CE2-CD2 4.31Å; F92-L179 HydrophobicContact CZ-CD1 4.03Å; F92-L179 HydrophobicContact CZ-CD2 3.45Å; F92-L179 VanDerWaalsContact CZ-CD2 3.45Å; F92-L179 HydrophobicContact CZ-CG 4.4Å
93C94.3Very high91.2Very high16 Ų1651.3 Ų51.311%0.10828%0.275CS..Hα-helixtrans-58.9-47.4177.7-68.70000111.6V30 L33 I89 S90 N91 M95 S96 L97V30-C93 HydrophobicContact CG1-CB 3.85Å; L33-C93 VanDerWaalsContact CB-SG 3.51Å; I89-C93 PolarHBondContact O-N 3.47Å; I89-C93 PolarHBondContact O-SG 3.27Å; S90-C93 PolarHBondContact O-N 3.49Å; N91-C93 VanDerWaalsContact C-N 3.34Å; N91-C93 PolarHBondContact O-N 3.24Å; C93-M95 PolarHBondContact O-N 2.87Å; C93-S96 PolarHBondContact O-N 2.91Å; C93-L97 VanDerWaalsContact O-CG 3.3Å; C93-L97 WeakPolarHBondContact O-CG 3.47Å; C93-L97 PolarHBondContact O-N 3.25Å
94T93.4Very high91.6Very high60 Ų6050.1 Ų50.137%0.36826%0.262SS..Hα-helixtrans-63.5-43.4-179.1-54.80000111.5S90 N91 F92 K98S90-T94 WeakPolarHBondContact O-CB 3.36Å; S90-T94 PolarHBondContact O-N 3.41Å; S90-T94 PolarHBondContact O-OG1 3.24Å; N91-T94 PolarHBondContact O-N 2.99Å; F92-T94 PolarHBondContact O-N 2.96Å; T94-K98 HydrophobicContact CG2-CD 4.33Å; T94-K98 WeakPolarHBondContact O-CG 3.49Å; T94-K98 PolarHBondContact O-N 3.25Å
95M92.4Very high91.6Very high6 Ų648.2 Ų48.23%0.0325%0.25CC..Hα-helixtrans-66-45178-72-67.3-66.100111.6K13 Y15 N91 F92 C93 L97 K98 C99 V105K13-M95 VanDerWaalsContact CA-CE 3.49Å; K13-M95 HydrophobicContact CB-CE 3.71Å; K13-M95 HydrophobicContact CB-SD 3.9Å; K13-M95 HydrophobicContact CD-SD 4.03Å; K13-M95 HydrophobicContact CG-CE 4.09Å; K13-M95 HydrophobicContact CG-SD 3.68Å; Y15-M95 HydrophobicContact CD1-CE 4.34Å; Y15-M95 HydrophobicContact CE1-CE 3.65Å; Y15-M95 WeakPolarHBondContact CE1-O 3.41Å; Y15-M95 HydrophobicContact CE2-CE 4.09Å; Y15-M95 VanDerWaalsContact CZ-CE 3.49Å; Y15-M95 PolarHBondContact OH-O 3.3Å; N91-M95 WeakPolarHBondContact O-CB 3.41Å; N91-M95 VanDerWaalsContact O-CG 3.28Å; N91-M95 WeakPolarHBondContact O-CG 3.13Å; N91-M95 PolarHBondContact O-N 2.99Å; F92-M95 PolarHBondContact O-N 3.15Å; C93-M95 PolarHBondContact O-N 2.87Å; M95-L97 VanDerWaalsContact C-N 3.34Å; M95-L97 PolarHBondContact O-N 3.07Å; M95-K98 PolarHBondContact O-N 3.08Å; M95-C99 PolarHBondContact O-N 3.3Å; M95-C99 VanDerWaalsContact O-N 3.12Å; M95-V105 HydrophobicContact CB-CG1 3.76Å
96S92.4Very high91.4Very high4 Ų447.8 Ų47.83%0.02825%0.248CC..Hα-helixtrans-62.5-40.6179.9-61.40000112K27 F92 C93 C99K27-S96 WeakPolarHBondContact CE-O 3.48Å; K27-S96 WeakPolarHBondContact CG-O 3.44Å; F92-S96 WeakPolarHBondContact CE1-OG 3.47Å; F92-S96 VanDerWaalsContact CZ-OG 3.31Å; F92-S96 WeakPolarHBondContact CZ-OG 3.45Å; F92-S96 VanDerWaalsContact O-CB 3.31Å; F92-S96 WeakPolarHBondContact O-CB 3.35Å; F92-S96 PolarHBondContact O-N 3.19Å; F92-S96 PolarHBondContact O-OG 2.94Å; C93-S96 PolarHBondContact O-N 2.91Å; S96-C99 VanDerWaalsContact O-CB 3.26Å; S96-C99 WeakPolarHBondContact O-CB 3.33Å; S96-C99 PolarHBondContact O-N 3.27Å
97L91.5Very high91.2Very high119 Ų11947.2 Ų47.262%0.62325%0.245SC*.Hα-helixtrans-66.9-36.2176.6-71.3171.8000113.1V30 C93 M95 C99V30-L97 HydrophobicContact CG1-CD1 3.93Å; V30-L97 HydrophobicContact CG1-CD2 4.08Å; V30-L97 HydrophobicContact CG1-CG 3.91Å; V30-L97 HydrophobicContact CG2-CG 4.44Å; C93-L97 VanDerWaalsContact O-CG 3.3Å; C93-L97 WeakPolarHBondContact O-CG 3.47Å; C93-L97 PolarHBondContact O-N 3.25Å; M95-L97 VanDerWaalsContact C-N 3.34Å; M95-L97 PolarHBondContact O-N 3.07Å; L97-C99 PolarHBondContact O-N 3.35Å
98K91.9Very high91.1Very high153 Ų15343.7 Ų43.767%0.66523%0.225SC*.Hα-helixtrans-80.1-5.3178.1-69.3-177.3-175.5-1690113.4T94 M95T94-K98 HydrophobicContact CG2-CD 4.33Å; T94-K98 WeakPolarHBondContact O-CG 3.49Å; T94-K98 PolarHBondContact O-N 3.25Å; M95-K98 PolarHBondContact O-N 3.08Å
99C88.5Confident91.1Very high9 Ų943.5 Ų43.56%0.06122%0.223CC..SBendtrans-73.7137.7-177-154.50000111.5Y15 K27 M95 S96 L97 H103Y15-C99 HydrophobicContact CD1-CB 4.13Å; Y15-C99 WeakPolarHBondContact CD1-SG 3.48Å; Y15-C99 HydrophobicContact CE1-CB 3.86Å; K27-C99 VanDerWaalsContact CE-O 3.25Å; K27-C99 WeakPolarHBondContact CE-O 3.38Å; K27-C99 PolarHBondContact NZ-O 3.32Å; M95-C99 PolarHBondContact O-N 3.3Å; M95-C99 VanDerWaalsContact O-N 3.12Å; S96-C99 VanDerWaalsContact O-CB 3.26Å; S96-C99 WeakPolarHBondContact O-CB 3.33Å; S96-C99 PolarHBondContact O-N 3.27Å; L97-C99 PolarHBondContact O-N 3.35Å; C99-H103 VanDerWaalsContact SG-CB 3.51Å; C99-H103 PolarHBondContact SG-O 3.43Å
100K89.8Confident91Very high157 Ų15743.4 Ų43.468%0.68322%0.222SC*.  trans-67.6164.4175.1-65.8-177.5179.1-179.10111.1S23 E102 H103S23-K100 PolarHBondContact OG-O 3.07Å; K100-E102 PolarHBondContact O-N 2.97Å; K100-H103 HydrophobicContact CB-CB 4.4Å; K100-H103 PolarHBondContact O-N 3Å
101S84Confident91Very high80 Ų8042.2 Ų42.256%0.55921%0.214SC*.THydrogen-bonded Turntrans-57.4-30.1-175.343.20000114.3G20 S23G20-S101 WeakPolarHBondContact CA-O 3.29Å; S23-S101 VanDerWaalsContact CB-O 3.28Å; S23-S101 WeakPolarHBondContact CB-O 3.17Å
102E88.2Confident91Very high129 Ų12941 Ų4160%0.60321%0.207SC*.THydrogen-bonded Turntrans-114.625.9-177.5-60.1-176.7159.600112.6C18 K100C18-E102 PolarHBondContact N-O 2.92Å; C18-E102 CarbonylContact O-C 3.57Å; C18-E102 VanDerWaalsContact O-C 3.25Å; C18-E102 WeakPolarHBondContact O-CA 3.44Å; K100-E102 PolarHBondContact O-N 2.97Å
103H90.9Very high91Very high68 Ų6841.1 Ų41.132%0.31521%0.208SC..EExtended strand (participates in β ladder)trans-128.8152.3178.6-69.761.3000109.3I16 C18 S23 C99 K100I16-H103 CarbonylContact O-C 3.52Å; I16-H103 WeakPolarHBondContact O-CA 3.32Å; C18-H103 PolarHBondContact SG-O 3.48Å; S23-H103 WeakPolarHBondContact CB-O 3.18Å; S23-H103 PolarHBondContact OG-O 3.25Å; C99-H103 VanDerWaalsContact SG-CB 3.51Å; C99-H103 PolarHBondContact SG-O 3.43Å; K100-H103 HydrophobicContact CB-CB 4.4Å; K100-H103 PolarHBondContact O-N 3Å
104C89.8Confident91Very high3 Ų340.4 Ų40.42%0.0220%0.203CC..EExtended strand (participates in β ladder)trans-125.8160.4175.3-71.90000109Y15 I16 C18 L186Y15-C104 CarbonylContact C-O 3.57Å; Y15-C104 WeakPolarHBondContact CA-O 3.29Å; I16-C104 PolarHBondContact N-O 3.48Å; I16-C104 PolarHBondContact O-N 3.04Å; C18-C104 HydrophobicContact CB-CB 3.78Å; C18-C104 WeakPolarHBondContact CB-SG 3.39Å; C18-C104 WeakPolarHBondContact SG-CB 3.26Å; C18-C104 PolarHBondContact SG-N 3.32Å; C18-C104 CovalentContact SG-SG 2.04Å; C18-C104 PolarHBondContact SG-SG 3.47Å; C104-L186 HydrophobicContact CB-CD2 4.23Å
105V90.7Very high91Very high4 Ų437.5 Ų37.52%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-64.9150.5170.2-61.60000110.3Y15 F92 M95 T109 L110Y15-V105 HydrophobicContact CE1-CG1 4.37Å; F92-V105 HydrophobicContact CD2-CG2 4.11Å; F92-V105 HydrophobicContact CE2-CG2 3.6Å; M95-V105 HydrophobicContact CB-CG1 3.76Å; V105-T109 HydrophobicContact CB-CG2 4.2Å; V105-T109 HydrophobicContact CG2-CG2 4.46Å; V105-L110 HydrophobicContact CG2-CB 4.26Å
106S89.9Confident91.2Very high4 Ų437.2 Ų37.23%0.02818%0.184CC..  trans-59.6153.8178.364.40000113L14 H108 T109 L110L14-S106 WeakPolarHBondContact O-CB 3.32Å; L14-S106 PolarHBondContact O-N 2.64Å; S106-H108 PolarHBondContact O-N 2.71Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 PolarHBondContact OG-N 2.88Å; S106-T109 PolarHBondContact OG-OG1 3.33Å; S106-T109 VanDerWaalsContact OG-OG1 3.13Å; S106-L110 PolarHBondContact O-N 3.01Å
107G88.8Confident91.3Very high1 Ų137.1 Ų37.11%0.0118%0.183CC..Hα-helixtrans-53.4-38.6172.500000112.5T109 L110 D111G107-T109 VanDerWaalsContact C-N 3.34Å; G107-T109 PolarHBondContact O-N 3.03Å; G107-L110 PolarHBondContact O-N 2.99Å; G107-D111 VanDerWaalsContact O-CB 3.24Å; G107-D111 WeakPolarHBondContact O-CB 3.39Å; G107-D111 PolarHBondContact O-N 3.13Å
108H90.3Very high91.5Very high41 Ų4131.7 Ų31.719%0.1916%0.155CC..Hα-helixtrans-55.1-46.2173.1-70.2-82.2000113.5S106 H112 K190 T191 W192S106-H108 PolarHBondContact O-N 2.71Å; H108-H112 WeakPolarHBondContact O-CB 3.38Å; H108-H112 PolarHBondContact O-N 3.49Å; H108-K190 PolarHBondContact CD2-O 2.94Å; H108-K190 PolarHBondContact N-O 3.28Å; H108-K190 VanDerWaalsContact NE2-CB 3.34Å; H108-K190 WeakPolarHBondContact NE2-CB 3.41Å; H108-K190 PolarHBondContact NE2-O 3.39Å; H108-T191 PolarHBondContact CE1-O 2.99Å; H108-W192 PolarHBondContact CE1-N 3.04Å; H108-W192 AromaticContact ND1-CD1 3.92Å; H108-W192 PolarHBondContact ND1-N 3.32Å; H108-W192 VanDerWaalsContact ND1-N 3.15Å; H108-W192 VanDerWaalsContact O-CD1 3.31Å; H108-W192 PolarHBondContact O-NE1 2.92Å
109T91.6Very high91.6Very high2 Ų225.4 Ų25.41%0.01213%0.128CC..Hα-helixtrans-71.8-39.7-179.5-580000111.1P11 P12 F92 V105 S106 G107 H112 A113P11-T109 HydrophobicContact CG-CG2 4.28Å; P12-T109 PolarHBondContact O-OG1 3.11Å; F92-T109 HydrophobicContact CD2-CG2 4.3Å; V105-T109 HydrophobicContact CB-CG2 4.2Å; V105-T109 HydrophobicContact CG2-CG2 4.46Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 PolarHBondContact OG-N 2.88Å; S106-T109 PolarHBondContact OG-OG1 3.33Å; S106-T109 VanDerWaalsContact OG-OG1 3.13Å; G107-T109 VanDerWaalsContact C-N 3.34Å; G107-T109 PolarHBondContact O-N 3.03Å; T109-H112 PolarHBondContact O-N 2.78Å; T109-A113 PolarHBondContact O-N 3.13Å
110L92Very high91.9Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-66.4-45178.7-172.757.1000111.5F92 V105 S106 G107 H112 A113 L114 L179 V182 R183 L186F92-L110 HydrophobicContact CE2-CD1 3.73Å; F92-L110 HydrophobicContact CZ-CD1 4.31Å; V105-L110 HydrophobicContact CG2-CB 4.26Å; S106-L110 PolarHBondContact O-N 3.01Å; G107-L110 PolarHBondContact O-N 2.99Å; L110-H112 VanDerWaalsContact C-N 3.35Å; L110-H112 PolarHBondContact O-N 3.42Å; L110-A113 WeakPolarHBondContact O-CB 3.46Å; L110-A113 PolarHBondContact O-N 2.95Å; L110-L114 HydrophobicContact CG-CD1 4.42Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.25Å; L110-L179 HydrophobicContact CD1-CB 4.13Å; L110-L179 HydrophobicContact CD1-CD2 4.18Å; L110-V182 HydrophobicContact CD2-CB 4.4Å; L110-V182 HydrophobicContact CD2-CG1 3.86Å; L110-R183 VanDerWaalsContact CD2-CA 3.42Å; L110-R183 HydrophobicContact CD2-CB 3.52Å; L110-R183 HydrophobicContact CD2-CG 4.22Å; L110-R183 HydrophobicContact CG-CB 4.04Å; L110-L186 HydrophobicContact CD2-CD1 3.88Å
111D92.3Very high92.2Very high2 Ų217.7 Ų17.71%0.0119%0.093CC..Hα-helixtrans-64.6-39.1176.3-69-21.2000111.2G107 A113 L114 V115 R183 T191 L193G107-D111 VanDerWaalsContact O-CB 3.24Å; G107-D111 WeakPolarHBondContact O-CB 3.39Å; G107-D111 PolarHBondContact O-N 3.13Å; D111-A113 PolarHBondContact O-N 3.31Å; D111-L114 PolarHBondContact O-N 3.41Å; D111-V115 WeakPolarHBondContact O-CG2 3.44Å; D111-V115 PolarHBondContact O-N 3.47Å; D111-R183 VanDerWaalsContact OD1-CD 3.22Å; D111-R183 WeakPolarHBondContact OD1-CD 3.48Å; D111-R183 IonicContact OD1-CZ 3.49Å; D111-R183 IonicContact OD1-NE 3.31Å; D111-R183 PolarHBondContact OD1-NE 2.96Å; D111-R183 IonicContact OD2-CZ 2.79Å; D111-R183 IonicContact OD2-NE 3.88Å; D111-R183 PolarHBondContact OD2-NE 3.01Å; D111-R183 IonicContact OD2-NH2 3.99Å; D111-R183 PolarHBondContact OD2-NH2 2.89Å; D111-T191 WeakPolarHBondContact OD2-CB 3.42Å; D111-T191 PolarHBondContact OD2-OG1 3.02Å; D111-L193 HydrophobicContact CB-CD1 3.87Å; D111-L193 HydrophobicContact CB-CG 4.2Å
112H93.5Very high92.6Very high4 Ų417.3 Ų17.32%0.0198%0.081CC..Hα-helixtrans-60.3-44.8172.5-174-92.1000112I7 F9 P11 H108 T109 L110 V115 C116 W192I7-H112 PolarHBondContact O-NE2 3.06Å; I7-H112 VanDerWaalsContact O-NE2 3.08Å; F9-H112 AromaticContact CE1-CD2 3.97Å; F9-H112 AromaticContact CE2-CD2 3.73Å; F9-H112 AromaticContact CZ-CD2 3.51Å; F9-H112 PolarHBondContact O-NE2 3.47Å; P11-H112 HydrophobicContact CB-CB 4.33Å; P11-H112 HydrophobicContact CG-CB 4.03Å; H108-H112 WeakPolarHBondContact O-CB 3.38Å; H108-H112 PolarHBondContact O-N 3.49Å; T109-H112 PolarHBondContact O-N 2.78Å; L110-H112 VanDerWaalsContact C-N 3.35Å; L110-H112 PolarHBondContact O-N 3.42Å; H112-V115 PolarHBondContact O-N 3.07Å; H112-C116 PolarHBondContact O-N 3.32Å; H112-C116 PolarHBondContact O-SG 3.07Å; H112-W192 HydrophobicContact CB-CZ2 4.37Å
113A94.1Very high92.9Very high2 Ų214.1 Ų14.12%0.0177%0.065CC..Hα-helixtrans-63.3-41.8176.400000112.3F92 T109 L110 D111 C116 L117F92-A113 HydrophobicContact CB-CB 3.82Å; F92-A113 HydrophobicContact CD2-CB 3.57Å; F92-A113 HydrophobicContact CE2-CB 4.32Å; F92-A113 HydrophobicContact CG-CB 3.72Å; T109-A113 PolarHBondContact O-N 3.13Å; L110-A113 WeakPolarHBondContact O-CB 3.46Å; L110-A113 PolarHBondContact O-N 2.95Å; D111-A113 PolarHBondContact O-N 3.31Å; A113-C116 WeakPolarHBondContact O-CB 3.47Å; A113-C116 PolarHBondContact O-N 2.91Å; A113-L117 WeakPolarHBondContact O-CG 3.34Å; A113-L117 PolarHBondContact O-N 3.29Å
114L94.7Very high93.2Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-62.6-43.7176.7-72.1171.1000111.7L110 D111 L117 I118 Y176 L179 F180 R183 L199L110-L114 HydrophobicContact CG-CD1 4.42Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.25Å; D111-L114 PolarHBondContact O-N 3.41Å; L114-L117 PolarHBondContact O-N 2.76Å; L114-I118 WeakPolarHBondContact O-CG1 3.34Å; L114-I118 PolarHBondContact O-N 2.71Å; L114-Y176 HydrophobicContact CB-CE2 3.97Å; L114-Y176 HydrophobicContact CD2-CD2 3.66Å; L114-Y176 HydrophobicContact CD2-CE2 3.64Å; L114-Y176 HydrophobicContact CD2-CG 4.35Å; L114-Y176 HydrophobicContact CG-CE2 4.39Å; L114-L179 HydrophobicContact CD2-CB 3.76Å; L114-F180 HydrophobicContact CD1-CD2 4.37Å; L114-F180 HydrophobicContact CD2-CB 4.27Å; L114-R183 HydrophobicContact CD1-CB 4.02Å; L114-R183 HydrophobicContact CD1-CG 4.13Å; L114-L199 HydrophobicContact CB-CD1 4.13Å; L114-L199 HydrophobicContact CD1-CD1 3.81Å
115V94.8Very high93.4Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-63.8-41.6174.4177.90000111.1L5 I7 D111 H112 L117 I118 Q119 W192 L193 L199L5-V115 HydrophobicContact CB-CG1 4.15Å; L5-V115 HydrophobicContact CD1-CG1 4.24Å; L5-V115 HydrophobicContact CD1-CG2 4.11Å; I7-V115 HydrophobicContact CG2-CB 4.21Å; I7-V115 HydrophobicContact CG2-CG1 3.48Å; I7-V115 VanDerWaalsContact CG2-CG1 3.48Å; D111-V115 WeakPolarHBondContact O-CG2 3.44Å; D111-V115 PolarHBondContact O-N 3.47Å; H112-V115 PolarHBondContact O-N 3.07Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 3.31Å; V115-I118 PolarHBondContact O-N 3.46Å; V115-Q119 HydrophobicContact CG1-CG 4.42Å; V115-Q119 WeakPolarHBondContact O-CG 3.49Å; V115-Q119 PolarHBondContact O-N 2.99Å; V115-W192 HydrophobicContact CB-CZ2 4.39Å; V115-W192 HydrophobicContact CG2-CH2 4.25Å; V115-W192 HydrophobicContact CG2-CZ2 4.01Å; V115-L193 HydrophobicContact CG2-CD2 3.89Å; V115-L199 HydrophobicContact CG2-CD2 4.01Å
116C95.2Very high93.6Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-57.7-41.8174.7-69.10000111.7I85 I89 H112 A113 Q119 L120I85-C116 HydrophobicContact CG2-CB 4.36Å; I85-C116 WeakPolarHBondContact CG2-O 3.11Å; I89-C116 HydrophobicContact CG1-CB 4Å; H112-C116 PolarHBondContact O-N 3.32Å; H112-C116 PolarHBondContact O-SG 3.07Å; A113-C116 WeakPolarHBondContact O-CB 3.47Å; A113-C116 PolarHBondContact O-N 2.91Å; C116-Q119 PolarHBondContact O-N 3.19Å; C116-L120 VanDerWaalsContact O-CB 3.29Å; C116-L120 WeakPolarHBondContact O-CB 3.28Å; C116-L120 PolarHBondContact O-N 3.11Å
117L95.7Very high93.9Very high1 Ų114.8 Ų14.81%0.0057%0.072CC..Hα-helixtrans-66.3-41.3177.2-71.9174.2000112.7L33 I89 A113 L114 V115 Q119 L120 Y121 V172 Y176 L179L33-L117 HydrophobicContact CD2-CD1 4.33Å; L33-L117 HydrophobicContact CD2-CD2 3.72Å; L33-L117 HydrophobicContact CD2-CG 4.49Å; I89-L117 HydrophobicContact CD1-CD2 4.15Å; A113-L117 WeakPolarHBondContact O-CG 3.34Å; A113-L117 PolarHBondContact O-N 3.29Å; L114-L117 PolarHBondContact O-N 2.76Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 3.31Å; L117-Q119 PolarHBondContact O-N 3.3Å; L117-L120 PolarHBondContact O-N 3.27Å; L117-Y121 WeakPolarHBondContact O-CB 3.08Å; L117-Y121 PolarHBondContact O-N 3.46Å; L117-V172 HydrophobicContact CB-CG1 4.22Å; L117-V172 HydrophobicContact CD2-CG1 4.18Å; L117-V172 HydrophobicContact CD2-CG2 4.47Å; L117-V172 WeakPolarHBondContact O-CG1 3.32Å; L117-Y176 HydrophobicContact CB-CD2 3.98Å; L117-Y176 HydrophobicContact CD1-CD2 4.4Å; L117-L179 HydrophobicContact CD1-CD1 3.93Å
118I94.8Very high94.3Very high6 Ų616 Ų163%0.0318%0.078CC..Hα-helixtrans-58-49.7173.6-68.5164.2000110.5A2 E3 L114 V115 L120 Y121 K122 Y176 L199 P200 L203A2-I118 HydrophobicContact CB-CD1 3.91Å; E3-I118 HydrophobicContact CG-CG2 3.79Å; L114-I118 WeakPolarHBondContact O-CG1 3.34Å; L114-I118 PolarHBondContact O-N 2.71Å; V115-I118 PolarHBondContact O-N 3.46Å; I118-L120 PolarHBondContact O-N 3.43Å; I118-Y121 WeakPolarHBondContact O-CB 3.21Å; I118-Y121 PolarHBondContact O-N 3.38Å; I118-K122 WeakPolarHBondContact O-CG 3.35Å; I118-K122 PolarHBondContact O-N 2.98Å; I118-K122 VanDerWaalsContact O-N 3.08Å; I118-Y176 HydrophobicContact CD1-CE2 3.81Å; I118-Y176 HydrophobicContact CG1-CD2 4.24Å; I118-Y176 HydrophobicContact CG1-CE2 3.56Å; I118-L199 HydrophobicContact CD1-CD2 3.69Å; I118-P200 HydrophobicContact CD1-CG 4.23Å; I118-L203 HydrophobicContact CG1-CD2 3.76Å
119Q94.3Very high94.6Very high21 Ų2119.7 Ų19.710%0.09810%0.098CC..Hα-helixtrans-67-37.3-179.3-67.7-173.113.800112.3E3 L5 I85 V115 C116 L117 K123E3-Q119 PolarHBondContact O-NE2 2.92Å; L5-Q119 PolarHBondContact O-NE2 3.12Å; I85-Q119 HydrophobicContact CD1-CB 3.66Å; I85-Q119 HydrophobicContact CG1-CB 4.11Å; V115-Q119 HydrophobicContact CG1-CG 4.42Å; V115-Q119 WeakPolarHBondContact O-CG 3.49Å; V115-Q119 PolarHBondContact O-N 2.99Å; C116-Q119 PolarHBondContact O-N 3.19Å; L117-Q119 PolarHBondContact O-N 3.3Å; Q119-K123 WeakPolarHBondContact O-CB 3.37Å; Q119-K123 WeakPolarHBondContact O-CG 3.09Å; Q119-K123 PolarHBondContact O-N 2.86Å
120L95.3Very high94.9Very high1 Ų123.4 Ų23.41%0.00511%0.112CC..Hα-helixtrans-59.8-51.1173.5-178.957.1000110.3L80 I85 I89 C116 L117 I118 K122 K123 V124 V172L80-L120 HydrophobicContact CD2-CD1 3.66Å; I85-L120 HydrophobicContact CG2-CB 3.78Å; I85-L120 HydrophobicContact CG2-CD1 4.32Å; I85-L120 HydrophobicContact CG2-CG 4.49Å; I89-L120 HydrophobicContact CD1-CD2 3.78Å; C116-L120 VanDerWaalsContact O-CB 3.29Å; C116-L120 WeakPolarHBondContact O-CB 3.28Å; C116-L120 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 3.27Å; I118-L120 PolarHBondContact O-N 3.43Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 2.97Å; L120-K123 PolarHBondContact O-N 3.23Å; L120-V124 HydrophobicContact CD1-CG2 4.14Å; L120-V124 HydrophobicContact CG-CG2 4.46Å; L120-V124 WeakPolarHBondContact O-CG2 3.36Å; L120-V124 PolarHBondContact O-N 3.13Å; L120-V172 HydrophobicContact CD2-CG2 3.74Å; L120-V172 HydrophobicContact CG-CG2 4.13Å
121Y95Very high95.2Very high3 Ų323.5 Ų23.51%0.01211%0.113CC..Hα-helixtrans-52.7-51.8178.7-173.2-90.8000111.4L117 I118 K123 V124 E125 L169 V172 N173 L203 H205L117-Y121 WeakPolarHBondContact O-CB 3.08Å; L117-Y121 PolarHBondContact O-N 3.46Å; I118-Y121 WeakPolarHBondContact O-CB 3.21Å; I118-Y121 PolarHBondContact O-N 3.38Å; Y121-K123 PolarHBondContact O-N 2.75Å; Y121-V124 PolarHBondContact O-N 2.94Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; Y121-E125 HydrophobicContact CD1-CG 4.08Å; Y121-E125 HydrophobicContact CE1-CG 3.85Å; Y121-E125 VanDerWaalsContact CE1-OE1 3.25Å; Y121-E125 WeakPolarHBondContact CE1-OE1 3.46Å; Y121-E125 PolarHBondContact O-N 2.81Å; Y121-L169 HydrophobicContact CD1-CD2 4.39Å; Y121-L169 HydrophobicContact CD2-CD2 3.64Å; Y121-L169 HydrophobicContact CE1-CD2 4.38Å; Y121-L169 HydrophobicContact CE2-CB 4.16Å; Y121-L169 HydrophobicContact CE2-CD2 3.63Å; Y121-L169 HydrophobicContact CG-CD2 4.05Å; Y121-V172 HydrophobicContact CD2-CB 4.28Å; Y121-V172 HydrophobicContact CD2-CG1 3.96Å; Y121-V172 HydrophobicContact CG-CG1 4.39Å; Y121-N173 HydrophobicContact CE2-CB 4.38Å; Y121-L203 HydrophobicContact CD1-CB 4.39Å; Y121-L203 HydrophobicContact CD2-CB 4.1Å; Y121-L203 HydrophobicContact CD2-CD1 4.03Å; Y121-L203 HydrophobicContact CE1-CB 4.3Å; Y121-L203 HydrophobicContact CE2-CB 4.02Å; Y121-L203 HydrophobicContact CG-CB 4.27Å; Y121-L203 HydrophobicContact CG-CD1 4.04Å; Y121-L203 PolarHBondContact OH-O 3.24Å; Y121-L203 VanDerWaalsContact OH-O 3.11Å; Y121-H205 AromaticContact CZ-CE1 3.68Å; Y121-H205 AromaticContact CZ-ND1 3.87Å; Y121-H205 PolarHBondContact OH-CD2 2.93Å; Y121-H205 VanDerWaalsContact OH-CD2 3.3Å; Y121-H205 PolarHBondContact OH-CE1 3.5Å; Y121-H205 PolarHBondContact OH-N 3.08Å; Y121-H205 PolarHBondContact OH-ND1 2.87Å; Y121-H205 PolarHBondContact OH-NE2 3.19Å
122K93.5Very high95.4Very high71 Ų7126.2 Ų26.231%0.30913%0.127SC..Hα-helixtrans-63.6-37.6-179.3-70.2-74.6156.8-162.20113.5E3 I118 L120 E125 T126E3-K122 HydrophobicContact CG-CG 3.95Å; E3-K122 WeakPolarHBondContact OE1-CD 3.48Å; E3-K122 WeakPolarHBondContact OE1-CE 3.41Å; E3-K122 IonicContact OE1-NZ 2.98Å; I118-K122 WeakPolarHBondContact O-CG 3.35Å; I118-K122 PolarHBondContact O-N 2.98Å; I118-K122 VanDerWaalsContact O-N 3.08Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 2.97Å; K122-E125 WeakPolarHBondContact CD-OE2 3.29Å; K122-E125 WeakPolarHBondContact CE-OE2 3.25Å; K122-E125 IonicContact NZ-OE2 3.88Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.47Å; K122-T126 WeakPolarHBondContact O-CB 3.26Å; K122-T126 PolarHBondContact O-N 3.1Å; K122-T126 PolarHBondContact O-OG1 2.61Å
123K94.5Very high95.5Very high62 Ų6228.2 Ų28.227%0.2714%0.142SC..Hα-helixtrans-67.9-36.6174.5-76.3174.9177.9-95.30112Q79 L80 I85 Q119 L120 Y121 T126 L127Q79-K123 PolarHBondContact O-NZ 3.06Å; L80-K123 HydrophobicContact CD2-CB 3.51Å; L80-K123 HydrophobicContact CD2-CD 4.41Å; L80-K123 HydrophobicContact CG-CB 4.17Å; I85-K123 HydrophobicContact CD1-CD 3.44Å; I85-K123 VanDerWaalsContact CD1-CD 3.44Å; Q119-K123 WeakPolarHBondContact O-CB 3.37Å; Q119-K123 WeakPolarHBondContact O-CG 3.09Å; Q119-K123 PolarHBondContact O-N 2.86Å; L120-K123 PolarHBondContact O-N 3.23Å; Y121-K123 PolarHBondContact O-N 2.75Å; K123-T126 PolarHBondContact O-N 3.41Å; K123-L127 WeakPolarHBondContact O-CB 3.12Å; K123-L127 PolarHBondContact O-N 3.5Å
124V95.9Very high95.7Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-69.1-40.1174.9178.40000111.1W40 L80 L120 Y121 T126 L127 L128 S165 L169W40-V124 HydrophobicContact CZ2-CG1 4.04Å; W40-V124 HydrophobicContact CZ2-CG2 3.83Å; L80-V124 HydrophobicContact CD1-CG2 4.45Å; L80-V124 HydrophobicContact CD2-CG2 3.83Å; L120-V124 HydrophobicContact CD1-CG2 4.14Å; L120-V124 HydrophobicContact CG-CG2 4.46Å; L120-V124 WeakPolarHBondContact O-CG2 3.36Å; L120-V124 PolarHBondContact O-N 3.13Å; Y121-V124 PolarHBondContact O-N 2.94Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; V124-T126 PolarHBondContact O-N 2.99Å; V124-L127 WeakPolarHBondContact O-CB 3.46Å; V124-L127 PolarHBondContact O-N 3.29Å; V124-L128 PolarHBondContact O-N 2.7Å; V124-S165 WeakPolarHBondContact CG1-O 3.43Å; V124-L169 HydrophobicContact CB-CD2 3.95Å; V124-L169 HydrophobicContact CB-CG 4.35Å; V124-L169 HydrophobicContact CG1-CD1 4.14Å; V124-L169 HydrophobicContact CG1-CD2 3.84Å; V124-L169 HydrophobicContact CG1-CG 3.67Å
125E94.8Very high95.8Very high33 Ų3332.2 Ų32.215%0.15416%0.156CC..Hα-helixtrans-58.4-48171.9-72.2-169.4132.100111.1Y121 K122 L127 L128 I129 L169 H205Y121-E125 HydrophobicContact CD1-CG 4.08Å; Y121-E125 HydrophobicContact CE1-CG 3.85Å; Y121-E125 VanDerWaalsContact CE1-OE1 3.25Å; Y121-E125 WeakPolarHBondContact CE1-OE1 3.46Å; Y121-E125 PolarHBondContact O-N 2.81Å; K122-E125 WeakPolarHBondContact CD-OE2 3.29Å; K122-E125 WeakPolarHBondContact CE-OE2 3.25Å; K122-E125 IonicContact NZ-OE2 3.88Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.47Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.85Å; E125-L128 WeakPolarHBondContact O-CB 3.38Å; E125-L128 PolarHBondContact O-N 3.25Å; E125-L128 VanDerWaalsContact O-N 3.12Å; E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 2.04Å; E125-L169 HydrophobicContact CG-CD2 3.71Å; E125-H205 IonicContact OE1-CE1 2.64Å; E125-H205 IonicContact OE1-ND1 3.53Å; E125-H205 PolarHBondContact OE1-ND1 3.44Å
126T94.8Very high95.9Very high60 Ų6041 Ų4137%0.36819%0.189SC..Hα-helixtrans-59.9-42176.6-58.70000111.7K122 K123 V124 I129 R130K122-T126 WeakPolarHBondContact O-CB 3.26Å; K122-T126 PolarHBondContact O-N 3.1Å; K122-T126 PolarHBondContact O-OG1 2.61Å; K123-T126 PolarHBondContact O-N 3.41Å; V124-T126 PolarHBondContact O-N 2.99Å; T126-I129 PolarHBondContact O-N 3.41Å; T126-R130 WeakPolarHBondContact O-CG 3.34Å; T126-R130 PolarHBondContact O-N 3.39Å; T126-R130 VanDerWaalsContact O-N 3.11Å
127L96.9Very high96Very high0 Ų042 Ų420%020%0.196CC..Hα-helixtrans-60.5-45.7174.717367.4000110.7W40 V73 L77 L80 K123 V124 E125 I129 R130 L131 S165W40-L127 HydrophobicContact CH2-CD2 3.5Å; W40-L127 VanDerWaalsContact CH2-CD2 3.5Å; W40-L127 HydrophobicContact CZ3-CD2 3.49Å; W40-L127 VanDerWaalsContact CZ3-CD2 3.49Å; V73-L127 HydrophobicContact CG1-CD1 4.01Å; L77-L127 HydrophobicContact CD2-CD1 3.87Å; L77-L127 HydrophobicContact CD2-CD2 3.7Å; L77-L127 HydrophobicContact CD2-CG 4.47Å; L77-L127 HydrophobicContact CG-CD1 4.11Å; L80-L127 HydrophobicContact CD1-CB 4.04Å; L80-L127 HydrophobicContact CD1-CD2 3.51Å; L80-L127 HydrophobicContact CD1-CG 4.3Å; K123-L127 WeakPolarHBondContact O-CB 3.12Å; K123-L127 PolarHBondContact O-N 3.5Å; V124-L127 WeakPolarHBondContact O-CB 3.46Å; V124-L127 PolarHBondContact O-N 3.29Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.85Å; L127-I129 VanDerWaalsContact C-N 3.35Å; L127-I129 PolarHBondContact O-N 2.85Å; L127-R130 CarbonylContact O-C 3.25Å; L127-R130 PolarHBondContact O-N 3.24Å; L127-R130 VanDerWaalsContact O-N 3.13Å; L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CD2 4.45Å; L127-L131 HydrophobicContact CD1-CG 4.05Å; L127-L131 HydrophobicContact CD2-CD1 4.34Å; L127-L131 HydrophobicContact CG-CD1 3.89Å; L127-L131 HydrophobicContact CG-CG 4.11Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 2.89Å; L127-S165 WeakPolarHBondContact CD2-OG 3.43Å
128L97Very high96Very high26 Ų2641.9 Ų41.914%0.13620%0.196CC..Hα-helixtrans-61.3-42-178.9-174.862000112.1V124 E125 R130 L131 N132 R162 L166 L169V124-L128 PolarHBondContact O-N 2.7Å; E125-L128 WeakPolarHBondContact O-CB 3.38Å; E125-L128 PolarHBondContact O-N 3.25Å; E125-L128 VanDerWaalsContact O-N 3.12Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.5Å; L128-N132 PolarHBondContact O-N 3.46Å; L128-N132 PolarHBondContact O-ND2 2.88Å; L128-R162 HydrophobicContact CD1-CG 3.87Å; L128-L166 HydrophobicContact CD1-CD2 4.5Å; L128-L166 HydrophobicContact CD1-CG 4.5Å; L128-L166 HydrophobicContact CD2-CD2 3.76Å; L128-L169 HydrophobicContact CD2-CD1 4.08Å
129I96.4Very high96.1Very high120 Ų12045.9 Ų45.962%0.61521%0.214SC*.Hα-helixtrans-59.2-46.6173.5-65.4167.1000110.5E125 T126 L127 N132 S133E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 2.04Å; T126-I129 PolarHBondContact O-N 3.41Å; L127-I129 VanDerWaalsContact C-N 3.35Å; L127-I129 PolarHBondContact O-N 2.85Å; I129-N132 PolarHBondContact O-N 3.46Å; I129-S133 PolarHBondContact O-N 2.92Å
130R97.2Very high96.1Very high79 Ų7948 Ų4830%0.29824%0.235SC..Hα-helixtrans-66.1-37.4178.6-70.8173.9-177.6-165.70.7112.6V73 S76 T126 L127 L128 S133 C134V73-R130 HydrophobicContact CG2-CB 4.01Å; V73-R130 WeakPolarHBondContact CG2-O 3.31Å; S76-R130 WeakPolarHBondContact OG-CD 3.48Å; S76-R130 PolarHBondContact OG-NE 3.14Å; S76-R130 PolarHBondContact OG-NH1 3.28Å; T126-R130 WeakPolarHBondContact O-CG 3.34Å; T126-R130 PolarHBondContact O-N 3.39Å; T126-R130 VanDerWaalsContact O-N 3.11Å; L127-R130 CarbonylContact O-C 3.25Å; L127-R130 PolarHBondContact O-N 3.24Å; L127-R130 VanDerWaalsContact O-N 3.13Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.94Å; R130-S133 PolarHBondContact O-N 3.25Å; R130-C134 VanDerWaalsContact O-CB 3.23Å; R130-C134 WeakPolarHBondContact O-CB 3.24Å; R130-C134 PolarHBondContact O-N 3.21Å
131L98Very high96.1Very high3 Ų349.5 Ų49.52%0.01624%0.242CC..Hα-helixtrans-61-48174.5-74.3172000110.6V73 L127 L128 C134 W135 L158 L161 R162V73-L131 HydrophobicContact CG1-CD2 3.56Å; V73-L131 HydrophobicContact CG1-CG 4.4Å; V73-L131 HydrophobicContact CG2-CD2 4.18Å; L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CD2 4.45Å; L127-L131 HydrophobicContact CD1-CG 4.05Å; L127-L131 HydrophobicContact CD2-CD1 4.34Å; L127-L131 HydrophobicContact CG-CD1 3.89Å; L127-L131 HydrophobicContact CG-CG 4.11Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.5Å; L131-C134 PolarHBondContact O-N 3.49Å; L131-W135 WeakPolarHBondContact O-CB 3.39Å; L131-W135 PolarHBondContact O-N 2.96Å; L131-L158 HydrophobicContact CD2-CD2 3.5Å; L131-L161 HydrophobicContact CD1-CB 4.03Å; L131-L161 HydrophobicContact CD2-CB 3.97Å; L131-L161 HydrophobicContact CD2-CD1 4.2Å; L131-R162 HydrophobicContact CD1-CB 4.37Å
132N96.6Very high95.9Very high58 Ų5853.2 Ų53.231%0.3126%0.258SS..Hα-helixtrans-64.5-41.6178.6-68.5-29.5000112L128 I129 W135 R136 R162L128-N132 PolarHBondContact O-N 3.46Å; L128-N132 PolarHBondContact O-ND2 2.88Å; I129-N132 PolarHBondContact O-N 3.46Å; N132-W135 PolarHBondContact O-N 3.35Å; N132-R136 WeakPolarHBondContact O-CG 3.25Å; N132-R136 PolarHBondContact O-N 3.3Å; N132-R136 VanDerWaalsContact O-N 3.17Å; N132-R162 PolarHBondContact OD1-NE 3.05Å
133S96.3Very high95.8Very high47 Ų4755.7 Ų55.733%0.32928%0.28SS..Hα-helixtrans-61.9-45.4174174.60000111.6I129 R130 W135 R136 S137I129-S133 PolarHBondContact O-N 2.92Å; R130-S133 PolarHBondContact O-N 3.25Å; S133-W135 VanDerWaalsContact C-N 3.33Å; S133-W135 PolarHBondContact O-N 3.02Å; S133-R136 PolarHBondContact O-N 3.2Å; S133-S137 PolarHBondContact O-N 2.92Å; S133-S137 VanDerWaalsContact O-N 3.11Å; S133-S137 PolarHBondContact O-OG 2.67Å
134C97.8Very high95.7Very high0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-63.3-39.4177.6-172.10000112.5F70 V73 R130 L131 S137 C138 L158F70-C134 WeakPolarHBondContact CA-SG 3.45Å; F70-C134 PolarHBondContact N-SG 3.24Å; V73-C134 HydrophobicContact CG2-CB 3.75Å; R130-C134 VanDerWaalsContact O-CB 3.23Å; R130-C134 WeakPolarHBondContact O-CB 3.24Å; R130-C134 PolarHBondContact O-N 3.21Å; L131-C134 PolarHBondContact O-N 3.49Å; C134-S137 PolarHBondContact O-N 2.86Å; C134-C138 PolarHBondContact O-N 3.15Å; C134-C138 PolarHBondContact O-SG 2.99Å; C134-L158 HydrophobicContact CB-CD1 4.14Å; C134-L158 HydrophobicContact CB-CD2 4.35Å
135W97.7Very high95.4Very high86 Ų8658.3 Ų58.333%0.32631%0.311SS..Hα-helixtrans-58-51.2175.9-178-84.9000111.3L131 N132 S133 S137 C138 E139 M155 L158L131-W135 WeakPolarHBondContact O-CB 3.39Å; L131-W135 PolarHBondContact O-N 2.96Å; N132-W135 PolarHBondContact O-N 3.35Å; S133-W135 VanDerWaalsContact C-N 3.33Å; S133-W135 PolarHBondContact O-N 3.02Å; W135-S137 VanDerWaalsContact C-N 3.32Å; W135-S137 PolarHBondContact O-N 3.01Å; W135-C138 WeakPolarHBondContact O-CA 3.01Å; W135-C138 WeakPolarHBondContact O-CB 3.3Å; W135-C138 PolarHBondContact O-N 3.39Å; W135-E139 PolarHBondContact NE1-OE1 3.49Å; W135-E139 PolarHBondContact O-N 3.01Å; W135-M155 HydrophobicContact CD2-CE 4.03Å; W135-M155 HydrophobicContact CE3-CB 4.29Å; W135-M155 HydrophobicContact CE3-CE 4.17Å; W135-M155 HydrophobicContact CE3-CG 4.35Å; W135-M155 HydrophobicContact CH2-CB 4.18Å; W135-M155 HydrophobicContact CH2-CE 3.58Å; W135-M155 HydrophobicContact CZ2-CE 3.38Å; W135-M155 HydrophobicContact CZ3-CB 3.75Å; W135-M155 HydrophobicContact CZ3-CE 3.98Å; W135-M155 HydrophobicContact CZ3-CG 4.24Å; W135-M155 WeakPolarHBondContact CZ3-O 3.39Å; W135-L158 HydrophobicContact CE3-CB 4.15Å; W135-L158 HydrophobicContact CE3-CD1 4.45Å
136R97.3Very high95.1Very high184 Ų18462.3 Ų62.369%0.69433%0.329SS*.Hα-helixtrans-58.6-42177.4-69177.2-178.6169.1-0.3112.4N132 S133 C138 E139 A140N132-R136 WeakPolarHBondContact O-CG 3.25Å; N132-R136 PolarHBondContact O-N 3.3Å; N132-R136 VanDerWaalsContact O-N 3.17Å; S133-R136 PolarHBondContact O-N 3.2Å; R136-C138 VanDerWaalsContact C-N 3.3Å; R136-C138 PolarHBondContact O-N 2.82Å; R136-E139 PolarHBondContact O-N 3.41Å; R136-A140 WeakPolarHBondContact O-CB 3.43Å; R136-A140 PolarHBondContact O-N 3.23Å
137S96.2Very high95Very high20 Ų2063.5 Ų63.514%0.1433%0.329CS..Hα-helixtrans-63.5-35.4174.8-60.70000112.5S69 S133 C134 W135 Q141S69-S137 PolarHBondContact OG-OG 2.83Å; S133-S137 PolarHBondContact O-N 2.92Å; S133-S137 VanDerWaalsContact O-N 3.11Å; S133-S137 PolarHBondContact O-OG 2.67Å; C134-S137 PolarHBondContact O-N 2.86Å; W135-S137 VanDerWaalsContact C-N 3.32Å; W135-S137 PolarHBondContact O-N 3.01Å; S137-Q141 PolarHBondContact O-N 2.93Å; S137-Q141 VanDerWaalsContact O-N 3.15Å
138C96.2Very high94.8Very high0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-69.6-43.8175.8-65.70000111.5C134 W135 R136 A140 Q141 F142 L151 M155C134-C138 PolarHBondContact O-N 3.15Å; C134-C138 PolarHBondContact O-SG 2.99Å; W135-C138 WeakPolarHBondContact O-CA 3.01Å; W135-C138 WeakPolarHBondContact O-CB 3.3Å; W135-C138 PolarHBondContact O-N 3.39Å; R136-C138 VanDerWaalsContact C-N 3.3Å; R136-C138 PolarHBondContact O-N 2.82Å; C138-A140 PolarHBondContact O-N 2.93Å; C138-Q141 PolarHBondContact O-N 3.42Å; C138-F142 WeakPolarHBondContact O-CB 3.43Å; C138-F142 PolarHBondContact O-N 3.16Å; C138-L151 HydrophobicContact CB-CD2 4.2Å; C138-M155 HydrophobicContact CB-CG 3.7Å; C138-M155 HydrophobicContact CB-SD 3.89Å
139E95.9Very high94.7Very high90 Ų9073 Ų7342%0.42137%0.374SS..Hα-helixtrans-57.9-47.5175.3-73.1178.2145.700111.4W135 R136 Q141 F142 T143 M155W135-E139 PolarHBondContact NE1-OE1 3.49Å; W135-E139 PolarHBondContact O-N 3.01Å; R136-E139 PolarHBondContact O-N 3.41Å; E139-Q141 VanDerWaalsContact C-N 3.29Å; E139-Q141 PolarHBondContact O-N 3.25Å; E139-F142 WeakPolarHBondContact O-CB 3.45Å; E139-F142 PolarHBondContact O-N 2.88Å; E139-F142 VanDerWaalsContact O-N 3.07Å; E139-T143 PolarHBondContact O-N 2.96Å; E139-M155 HydrophobicContact CG-CE 3.85Å
140A94.9Very high94.6Very high64 Ų6468.3 Ų68.353%0.52935%0.351SS..Hα-helixtrans-62.4-34.2177.500000113R136 C138 T143R136-A140 WeakPolarHBondContact O-CB 3.43Å; R136-A140 PolarHBondContact O-N 3.23Å; C138-A140 PolarHBondContact O-N 2.93Å; A140-T143 PolarHBondContact O-OG1 3.49Å
141Q94.6Very high94.6Very high34 Ų3464.5 Ų64.516%0.15934%0.337CS..Hα-helixtrans-74.6-34.1173.2-171.969.253.800111.5F66 S137 C138 E139 T143 T144 L151F66-Q141 HydrophobicContact CB-CB 4.42Å; F66-Q141 HydrophobicContact CD1-CB 3.85Å; F66-Q141 HydrophobicContact CD1-CG 3.57Å; F66-Q141 HydrophobicContact CE1-CB 4.48Å; F66-Q141 HydrophobicContact CE1-CG 3.73Å; F66-Q141 HydrophobicContact CG-CB 4.31Å; F66-Q141 HydrophobicContact CG-CG 4.41Å; S137-Q141 PolarHBondContact O-N 2.93Å; S137-Q141 VanDerWaalsContact O-N 3.15Å; C138-Q141 PolarHBondContact O-N 3.42Å; E139-Q141 VanDerWaalsContact C-N 3.29Å; E139-Q141 PolarHBondContact O-N 3.25Å; Q141-T143 VanDerWaalsContact C-N 3.27Å; Q141-T143 PolarHBondContact O-N 2.98Å; Q141-T144 PolarHBondContact NE2-OG1 3.09Å; Q141-T144 WeakPolarHBondContact O-CB 3.09Å; Q141-T144 PolarHBondContact O-N 3.11Å; Q141-T144 VanDerWaalsContact O-N 3.07Å; Q141-T144 PolarHBondContact O-OG1 3.29Å; Q141-L151 HydrophobicContact CB-CD1 4.04Å; Q141-L151 HydrophobicContact CB-CD2 4.13Å; Q141-L151 HydrophobicContact CG-CD1 3.8Å; Q141-L151 HydrophobicContact CG-CD2 4.22Å
142F91.4Very high94.5Very high80 Ų8068.9 Ų68.935%0.35136%0.359SS..Hα-helixtrans-61.8-35.9-176.3-164.8-94.4000112.2C138 E139 T144 G145 T148 L151 L152C138-F142 WeakPolarHBondContact O-CB 3.43Å; C138-F142 PolarHBondContact O-N 3.16Å; E139-F142 WeakPolarHBondContact O-CB 3.45Å; E139-F142 PolarHBondContact O-N 2.88Å; E139-F142 VanDerWaalsContact O-N 3.07Å; F142-T144 PolarHBondContact O-N 3.47Å; F142-T144 VanDerWaalsContact O-N 3.17Å; F142-G145 PolarHBondContact O-N 3.05Å; F142-G145 VanDerWaalsContact O-N 3.08Å; F142-T148 HydrophobicContact CE2-CG2 4.18Å; F142-L151 HydrophobicContact CB-CD1 4.19Å; F142-L151 HydrophobicContact CD2-CB 3.96Å; F142-L151 HydrophobicContact CD2-CD1 4.05Å; F142-L152 HydrophobicContact CE2-CD2 3.91Å; F142-L152 HydrophobicContact CE2-CG 3.92Å; F142-L152 HydrophobicContact CZ-CD2 4.18Å; F142-L152 HydrophobicContact CZ-CG 4.49Å
143T91.3Very high94.5Very high123 Ų12369.7 Ų69.776%0.75536%0.363SS*.THydrogen-bonded Turntrans-63.2-19.5176.861.50000113.7E139 A140 Q141 G145E139-T143 PolarHBondContact O-N 2.96Å; A140-T143 PolarHBondContact O-OG1 3.49Å; Q141-T143 VanDerWaalsContact C-N 3.27Å; Q141-T143 PolarHBondContact O-N 2.98Å; T143-G145 VanDerWaalsContact C-N 3.28Å; T143-G145 PolarHBondContact O-N 3.3Å
144T92.4Very high94.5Very high67 Ų6767.4 Ų67.441%0.41135%0.348SS..THydrogen-bonded Turntrans-76.9-13.3176.471.80000113.3Q141 F142 H146Q141-T144 PolarHBondContact NE2-OG1 3.09Å; Q141-T144 WeakPolarHBondContact O-CB 3.09Å; Q141-T144 PolarHBondContact O-N 3.11Å; Q141-T144 VanDerWaalsContact O-N 3.07Å; Q141-T144 PolarHBondContact O-OG1 3.29Å; F142-T144 PolarHBondContact O-N 3.47Å; F142-T144 VanDerWaalsContact O-N 3.17Å; T144-H146 PolarHBondContact O-N 3.34Å; T144-H146 PolarHBondContact OG1-N 3.42Å
145G88.8Confident94.5Very high50 Ų5068.6 Ų68.652%0.51535%0.354SS..THydrogen-bonded Turntrans74.3-1.7-175.900000115.2F142 T143 T148F142-G145 PolarHBondContact O-N 3.05Å; F142-G145 VanDerWaalsContact O-N 3.08Å; T143-G145 VanDerWaalsContact C-N 3.28Å; T143-G145 PolarHBondContact O-N 3.3Å; G145-T148 WeakPolarHBondContact O-CG2 3.34Å
146H89.8Confident94.5Very high118 Ų11868.9 Ų68.955%0.54637%0.365SS..SBendtrans-87.9145177.1-62.4-62.7000112.6T144 T148 L151T144-H146 PolarHBondContact O-N 3.34Å; T144-H146 PolarHBondContact OG1-N 3.42Å; H146-T148 PolarHBondContact O-N 3.23Å; H146-L151 WeakPolarHBondContact O-CD1 3.46Å
147F91.5Very high94.6Very high84 Ų8460.3 Ų60.337%0.36833%0.333SS..SBendtrans54.823.8176.5-47.8-69.5000115.3L61 F64 K149 V150 L151L61-F147 HydrophobicContact CD2-CD1 4.01Å; L61-F147 HydrophobicContact CD2-CD2 4.3Å; L61-F147 HydrophobicContact CD2-CE1 3.86Å; L61-F147 HydrophobicContact CD2-CE2 4.16Å; L61-F147 HydrophobicContact CD2-CG 4.23Å; L61-F147 HydrophobicContact CD2-CZ 3.94Å; F64-F147 AromaticContact CE1-CE2 3.87Å; F64-F147 HydrophobicContact CE1-CE2 3.87Å; F64-F147 HydrophobicContact CE2-CE2 4.02Å; F64-F147 HydrophobicContact CE2-CZ 4.17Å; F64-F147 AromaticContact CZ-CE2 3.58Å; F64-F147 HydrophobicContact CZ-CE2 3.58Å; F64-F147 AromaticContact CZ-CZ 3.91Å; F64-F147 HydrophobicContact CZ-CZ 3.91Å; F147-K149 VanDerWaalsContact C-N 3.26Å; F147-K149 PolarHBondContact O-N 3.49Å; F147-K149 VanDerWaalsContact O-N 3.1Å; F147-V150 HydrophobicContact CB-CB 4.45Å; F147-V150 WeakPolarHBondContact O-CA 3.42Å; F147-V150 PolarHBondContact O-N 3.05Å; F147-L151 PolarHBondContact O-N 3.02Å
148T93.6Very high94.6Very high52 Ų5259.5 Ų59.532%0.31933%0.327SS..Hα-helixtrans-49-43.9-173.350.30000113.4F142 G145 H146 V150 L151 L152F142-T148 HydrophobicContact CE2-CG2 4.18Å; G145-T148 WeakPolarHBondContact O-CG2 3.34Å; H146-T148 PolarHBondContact O-N 3.23Å; T148-V150 PolarHBondContact O-N 3.45Å; T148-L151 PolarHBondContact O-N 3.23Å; T148-L152 WeakPolarHBondContact O-CB 3.31Å; T148-L152 VanDerWaalsContact O-CG 3.3Å; T148-L152 WeakPolarHBondContact O-CG 3.24Å; T148-L152 PolarHBondContact O-N 3.44Å
149K94.9Very high94.7Very high175 Ų17562.1 Ų62.176%0.76135%0.345SS*.Hα-helixtrans-60.9-41.8177.1-63.4-175.3-178.7179.20113.2F147 L153F147-K149 VanDerWaalsContact C-N 3.26Å; F147-K149 PolarHBondContact O-N 3.49Å; F147-K149 VanDerWaalsContact O-N 3.1Å; K149-L153 PolarHBondContact O-N 2.8Å
150V94.4Very high94.8Very high20 Ų2058.7 Ų58.712%0.12133%0.334CS..Hα-helixtrans-71.7-40.2178.9-1790000110.3F57 L61 F147 T148 L153 I154F57-V150 HydrophobicContact CD1-CG2 4.41Å; F57-V150 HydrophobicContact CD2-CG1 4.09Å; F57-V150 HydrophobicContact CE1-CG2 3.79Å; F57-V150 HydrophobicContact CE2-CG1 4.09Å; F57-V150 HydrophobicContact CE2-CG2 4.17Å; F57-V150 HydrophobicContact CG-CG1 4.4Å; F57-V150 HydrophobicContact CZ-CG1 4.39Å; F57-V150 HydrophobicContact CZ-CG2 3.66Å; L61-V150 HydrophobicContact CD1-CG1 3.91Å; F147-V150 HydrophobicContact CB-CB 4.45Å; F147-V150 WeakPolarHBondContact O-CA 3.42Å; F147-V150 PolarHBondContact O-N 3.05Å; T148-V150 PolarHBondContact O-N 3.45Å; V150-L153 PolarHBondContact O-N 3.04Å; V150-I154 HydrophobicContact CG1-CD1 3.96Å; V150-I154 HydrophobicContact CG1-CG1 4.47Å; V150-I154 WeakPolarHBondContact O-CG1 3.49Å; V150-I154 PolarHBondContact O-N 2.79Å
151L96.3Very high95Very high0 Ų055.7 Ų55.70%031%0.309CS..Hα-helixtrans-62.2-45.2175.7-69.8169000111.6F66 C138 Q141 F142 H146 F147 T148 L153 I154 M155F66-L151 HydrophobicContact CD1-CD2 4.29Å; F66-L151 HydrophobicContact CD2-CD2 3.55Å; F66-L151 HydrophobicContact CE1-CD2 4.4Å; F66-L151 HydrophobicContact CE2-CD2 3.7Å; F66-L151 HydrophobicContact CG-CD2 3.87Å; F66-L151 HydrophobicContact CZ-CD2 4.12Å; C138-L151 HydrophobicContact CB-CD2 4.2Å; Q141-L151 HydrophobicContact CB-CD1 4.04Å; Q141-L151 HydrophobicContact CB-CD2 4.13Å; Q141-L151 HydrophobicContact CG-CD1 3.8Å; Q141-L151 HydrophobicContact CG-CD2 4.22Å; F142-L151 HydrophobicContact CB-CD1 4.19Å; F142-L151 HydrophobicContact CD2-CB 3.96Å; F142-L151 HydrophobicContact CD2-CD1 4.05Å; H146-L151 WeakPolarHBondContact O-CD1 3.46Å; F147-L151 PolarHBondContact O-N 3.02Å; T148-L151 PolarHBondContact O-N 3.23Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.32Å; L151-I154 PolarHBondContact O-N 2.89Å; L151-M155 WeakPolarHBondContact O-CB 3.29Å; L151-M155 VanDerWaalsContact O-CG 3.25Å; L151-M155 WeakPolarHBondContact O-CG 3.21Å; L151-M155 PolarHBondContact O-N 3.08Å
152L96.3Very high95.1Very high94 Ų9460 Ų6049%0.49232%0.324SS..Hα-helixtrans-58.2-43.2175.2-73.6171.9000111.6F142 T148 M155 T156F142-L152 HydrophobicContact CE2-CD2 3.91Å; F142-L152 HydrophobicContact CE2-CG 3.92Å; F142-L152 HydrophobicContact CZ-CD2 4.18Å; F142-L152 HydrophobicContact CZ-CG 4.49Å; T148-L152 WeakPolarHBondContact O-CB 3.31Å; T148-L152 VanDerWaalsContact O-CG 3.3Å; T148-L152 WeakPolarHBondContact O-CG 3.24Å; T148-L152 PolarHBondContact O-N 3.44Å; L152-M155 PolarHBondContact O-N 3.37Å; L152-T156 WeakPolarHBondContact O-CB 3.25Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.45Å
153L96.6Very high95.4Very high75 Ų7560 Ų6039%0.39333%0.331SS..Hα-helixtrans-63.2-46.9177.2-178.365.4000111.5I53 K149 V150 L151 T156 V157I53-L153 HydrophobicContact CD1-CD2 3.86Å; I53-L153 HydrophobicContact CD1-CG 3.7Å; I53-L153 HydrophobicContact CG1-CD2 3.72Å; I53-L153 HydrophobicContact CG1-CG 4.16Å; K149-L153 PolarHBondContact O-N 2.8Å; V150-L153 PolarHBondContact O-N 3.04Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.32Å; L153-T156 PolarHBondContact O-N 3.41Å; L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.97Å; L153-V157 VanDerWaalsContact O-N 3.16Å
154I97.2Very high95.6Very high0 Ų055.9 Ų55.90%030%0.303CS..Hα-helixtrans-59.6-52176.1-71.9169.2000110.2I53 F66 F70 V150 L151 T156 V157 L158I53-I154 HydrophobicContact CD1-CG1 4.39Å; I53-I154 HydrophobicContact CG2-CD1 4.22Å; I53-I154 HydrophobicContact CG2-CG1 3.84Å; F66-I154 HydrophobicContact CD2-CD1 4.14Å; F66-I154 HydrophobicContact CE2-CD1 3.88Å; F70-I154 HydrophobicContact CD2-CG1 4.41Å; F70-I154 HydrophobicContact CD2-CG2 3.67Å; F70-I154 HydrophobicContact CE2-CG1 4.35Å; F70-I154 HydrophobicContact CE2-CG2 4.05Å; F70-I154 HydrophobicContact CG-CD1 4.48Å; F70-I154 HydrophobicContact CG-CG2 4.3Å; F70-I154 HydrophobicContact CZ-CG1 4.5Å; V150-I154 HydrophobicContact CG1-CD1 3.96Å; V150-I154 HydrophobicContact CG1-CG1 4.47Å; V150-I154 WeakPolarHBondContact O-CG1 3.49Å; V150-I154 PolarHBondContact O-N 2.79Å; L151-I154 PolarHBondContact O-N 2.89Å; I154-T156 VanDerWaalsContact C-N 3.29Å; I154-T156 PolarHBondContact O-N 2.94Å; I154-V157 PolarHBondContact O-N 3.23Å; I154-V157 VanDerWaalsContact O-N 3.09Å; I154-L158 HydrophobicContact CG2-CD1 3.81Å; I154-L158 HydrophobicContact CG2-CG 4.03Å; I154-L158 VanDerWaalsContact O-CG 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.31Å; I154-L158 PolarHBondContact O-N 3.06Å
155M97.7Very high95.9Very high25 Ų2552.7 Ų52.712%0.12328%0.283CS..Hα-helixtrans-61-37.8-178.4-70.1177.276.900111.8W135 C138 E139 L151 L152 V157 L158 S159W135-M155 HydrophobicContact CD2-CE 4.03Å; W135-M155 HydrophobicContact CE3-CB 4.29Å; W135-M155 HydrophobicContact CE3-CE 4.17Å; W135-M155 HydrophobicContact CE3-CG 4.35Å; W135-M155 HydrophobicContact CH2-CB 4.18Å; W135-M155 HydrophobicContact CH2-CE 3.58Å; W135-M155 HydrophobicContact CZ2-CE 3.38Å; W135-M155 HydrophobicContact CZ3-CB 3.75Å; W135-M155 HydrophobicContact CZ3-CE 3.98Å; W135-M155 HydrophobicContact CZ3-CG 4.24Å; W135-M155 WeakPolarHBondContact CZ3-O 3.39Å; C138-M155 HydrophobicContact CB-CG 3.7Å; C138-M155 HydrophobicContact CB-SD 3.89Å; E139-M155 HydrophobicContact CG-CE 3.85Å; L151-M155 WeakPolarHBondContact O-CB 3.29Å; L151-M155 VanDerWaalsContact O-CG 3.25Å; L151-M155 WeakPolarHBondContact O-CG 3.21Å; L151-M155 PolarHBondContact O-N 3.08Å; L152-M155 PolarHBondContact O-N 3.37Å; M155-V157 PolarHBondContact O-N 3.38Å; M155-L158 PolarHBondContact O-N 3.12Å; M155-S159 PolarHBondContact O-N 3.28Å
156T97.9Very high96.2Very high91 Ų9153.6 Ų53.656%0.55828%0.276SS*.Hα-helixtrans-58.3-49.3173.3-57.40000110.9L152 L153 I154 L158 S159 G160L152-T156 WeakPolarHBondContact O-CB 3.25Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.45Å; L153-T156 PolarHBondContact O-N 3.41Å; I154-T156 VanDerWaalsContact C-N 3.29Å; I154-T156 PolarHBondContact O-N 2.94Å; T156-L158 PolarHBondContact O-N 3.39Å; T156-S159 PolarHBondContact O-N 3.25Å; T156-S159 PolarHBondContact O-OG 3.33Å; T156-G160 PolarHBondContact O-N 2.88Å
157V97.7Very high96.5Very high4 Ų451.8 Ų51.82%0.02427%0.27CS..Hα-helixtrans-63.6-42177.1174.20000111.8D46 I49 I53 L153 I154 M155 S159 G160 L161D46-V157 HydrophobicContact CB-CG1 4.41Å; D46-V157 WeakPolarHBondContact O-CG1 3.37Å; I49-V157 HydrophobicContact CB-CG2 4.17Å; I49-V157 HydrophobicContact CG2-CG2 3.57Å; I53-V157 HydrophobicContact CD1-CG2 4.02Å; L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.97Å; L153-V157 VanDerWaalsContact O-N 3.16Å; I154-V157 PolarHBondContact O-N 3.23Å; I154-V157 VanDerWaalsContact O-N 3.09Å; M155-V157 PolarHBondContact O-N 3.38Å; V157-S159 VanDerWaalsContact C-N 3.29Å; V157-S159 PolarHBondContact O-N 2.96Å; V157-G160 PolarHBondContact O-N 3.49Å; V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 4.26Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.19Å
158L98Very high96.7Very high3 Ų347.9 Ų47.92%0.01625%0.254CS..Hα-helixtrans-60.1-40177.1-66.6178.3000111.7F70 V73 L131 C134 W135 I154 M155 T156 R162F70-L158 HydrophobicContact CD2-CD2 4.39Å; V73-L158 HydrophobicContact CG1-CD2 4.23Å; V73-L158 HydrophobicContact CG2-CD2 4.39Å; L131-L158 HydrophobicContact CD2-CD2 3.5Å; C134-L158 HydrophobicContact CB-CD1 4.14Å; C134-L158 HydrophobicContact CB-CD2 4.35Å; W135-L158 HydrophobicContact CE3-CB 4.15Å; W135-L158 HydrophobicContact CE3-CD1 4.45Å; I154-L158 HydrophobicContact CG2-CD1 3.81Å; I154-L158 HydrophobicContact CG2-CG 4.03Å; I154-L158 VanDerWaalsContact O-CG 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.31Å; I154-L158 PolarHBondContact O-N 3.06Å; M155-L158 PolarHBondContact O-N 3.12Å; T156-L158 PolarHBondContact O-N 3.39Å; L158-R162 VanDerWaalsContact O-CB 3.27Å; L158-R162 WeakPolarHBondContact O-CB 3.42Å; L158-R162 PolarHBondContact O-N 2.97Å
159S97.9Very high96.8Very high55 Ų5545.5 Ų45.539%0.38524%0.239SC..Hα-helixtrans-64.7-45.4177.972.80000112.2M155 T156 V157 R162 V163M155-S159 PolarHBondContact O-N 3.28Å; T156-S159 PolarHBondContact O-N 3.25Å; T156-S159 PolarHBondContact O-OG 3.33Å; V157-S159 VanDerWaalsContact C-N 3.29Å; V157-S159 PolarHBondContact O-N 2.96Å; S159-R162 PolarHBondContact O-N 3.36Å; S159-V163 PolarHBondContact O-N 2.76Å; S159-V163 VanDerWaalsContact O-N 3.12Å
160G97.6Very high96.7Very high19 Ų1942 Ų4220%0.19623%0.229CC..Hα-helixtrans-59.3-49.2175.100000111.8T156 V157 R162 V163 Q164T156-G160 PolarHBondContact O-N 2.88Å; V157-G160 PolarHBondContact O-N 3.49Å; G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 3.35Å; G160-V163 PolarHBondContact O-N 2.86Å; G160-Q164 VanDerWaalsContact O-CG 3.31Å; G160-Q164 WeakPolarHBondContact O-CG 3.38Å; G160-Q164 PolarHBondContact O-N 3.16Å
161L98.1Very high96.7Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-61.9-37176.8-68.3172.1000112.6D46 I47 L77 L131 V157 Q164 S165D46-L161 HydrophobicContact CB-CD2 3.88Å; D46-L161 HydrophobicContact CB-CG 4.1Å; I47-L161 HydrophobicContact CG1-CD2 3.9Å; L77-L161 HydrophobicContact CD1-CD1 3.69Å; L77-L161 HydrophobicContact CD1-CD2 4.44Å; L77-L161 HydrophobicContact CD2-CD1 4.27Å; L77-L161 HydrophobicContact CD2-CD2 3.96Å; L131-L161 HydrophobicContact CD1-CB 4.03Å; L131-L161 HydrophobicContact CD2-CB 3.97Å; L131-L161 HydrophobicContact CD2-CD1 4.2Å; V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 4.26Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.19Å; L161-Q164 PolarHBondContact O-N 3.01Å; L161-S165 WeakPolarHBondContact O-CB 3.31Å; L161-S165 PolarHBondContact O-N 2.85Å; L161-S165 PolarHBondContact O-OG 3.49Å; L161-S165 VanDerWaalsContact O-OG 3.09Å
162R97.4Very high96.7Very high124 Ų12442.8 Ų42.847%0.46823%0.231SC..Hα-helixtrans-63.2-46.2178-177.8176.6179.5-115-4111.7L128 L131 N132 L158 S159 G160 Q164 S165 L166L128-R162 HydrophobicContact CD1-CG 3.87Å; L131-R162 HydrophobicContact CD1-CB 4.37Å; N132-R162 PolarHBondContact OD1-NE 3.05Å; L158-R162 VanDerWaalsContact O-CB 3.27Å; L158-R162 WeakPolarHBondContact O-CB 3.42Å; L158-R162 PolarHBondContact O-N 2.97Å; S159-R162 PolarHBondContact O-N 3.36Å; G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 3.35Å; R162-Q164 VanDerWaalsContact C-N 3.32Å; R162-S165 PolarHBondContact O-N 3.43Å; R162-L166 HydrophobicContact CG-CD1 4.47Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.42Å; R162-L166 VanDerWaalsContact O-N 3.08Å
163V97.2Very high96.6Very high82 Ų8240.3 Ų40.350%0.49722%0.218SC..Hα-helixtrans-61.8-43.8176.2174.40000110.5S159 G160 S165 L166 N167S159-V163 PolarHBondContact O-N 2.76Å; S159-V163 VanDerWaalsContact O-N 3.12Å; G160-V163 PolarHBondContact O-N 2.86Å; V163-S165 VanDerWaalsContact C-N 3.35Å; V163-S165 PolarHBondContact O-N 2.95Å; V163-L166 PolarHBondContact O-N 3.34Å; V163-N167 VanDerWaalsContact O-CG 3.31Å; V163-N167 PolarHBondContact O-N 3.47Å; V163-N167 PolarHBondContact O-ND2 3.19Å
164Q97.1Very high96.3Very high35 Ų3540.3 Ų40.316%0.16422%0.224CC..Hα-helixtrans-63-39.3176.7-67.9-178.74700112.9T39 N44 D46 G160 L161 R162 S168T39-Q164 HydrophobicContact CG2-CB 4.09Å; T39-Q164 HydrophobicContact CG2-CG 4.45Å; N44-Q164 PolarHBondContact ND2-OE1 3.03Å; D46-Q164 PolarHBondContact OD2-NE2 2.9Å; G160-Q164 VanDerWaalsContact O-CG 3.31Å; G160-Q164 WeakPolarHBondContact O-CG 3.38Å; G160-Q164 PolarHBondContact O-N 3.16Å; L161-Q164 PolarHBondContact O-N 3.01Å; R162-Q164 VanDerWaalsContact C-N 3.32Å; Q164-S168 VanDerWaalsContact O-CB 3.26Å; Q164-S168 WeakPolarHBondContact O-CB 3.48Å; Q164-S168 PolarHBondContact O-N 3.42Å; Q164-S168 PolarHBondContact O-OG 3.41Å
165S97.2Very high96.2Very high0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-60.8-48.7175.4-700000111.8V124 L127 L161 R162 V163 S168 L169V124-S165 WeakPolarHBondContact CG1-O 3.43Å; L127-S165 WeakPolarHBondContact CD2-OG 3.43Å; L161-S165 WeakPolarHBondContact O-CB 3.31Å; L161-S165 PolarHBondContact O-N 2.85Å; L161-S165 PolarHBondContact O-OG 3.49Å; L161-S165 VanDerWaalsContact O-OG 3.09Å; R162-S165 PolarHBondContact O-N 3.43Å; V163-S165 VanDerWaalsContact C-N 3.35Å; V163-S165 PolarHBondContact O-N 2.95Å; S165-S168 PolarHBondContact O-N 3.04Å; S165-L169 WeakPolarHBondContact O-CG 3.26Å; S165-L169 PolarHBondContact O-N 3.28Å
166L96.1Very high96.1Very high70 Ų7039.3 Ų39.337%0.36622%0.219SC..Hα-helixtrans-60.7-51.5179.4-69.3169000111.3L128 R162 V163 S168 L169 D170L128-L166 HydrophobicContact CD1-CD2 4.5Å; L128-L166 HydrophobicContact CD1-CG 4.5Å; L128-L166 HydrophobicContact CD2-CD2 3.76Å; R162-L166 HydrophobicContact CG-CD1 4.47Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.42Å; R162-L166 VanDerWaalsContact O-N 3.08Å; V163-L166 PolarHBondContact O-N 3.34Å; L166-S168 PolarHBondContact O-N 3.44Å; L166-L169 WeakPolarHBondContact O-CB 3.35Å; L166-L169 PolarHBondContact O-N 3.3Å; L166-L169 VanDerWaalsContact O-N 3.07Å; L166-D170 PolarHBondContact O-N 3.12Å
167N95.7Very high95.8Very high80 Ų8036.3 Ų36.343%0.42821%0.206SC..Hα-helixtrans-59.5-37177.8-66.8-14.8000112.2V163 L169 D170 E171V163-N167 VanDerWaalsContact O-CG 3.31Å; V163-N167 PolarHBondContact O-N 3.47Å; V163-N167 PolarHBondContact O-ND2 3.19Å; N167-L169 VanDerWaalsContact C-N 3.35Å; N167-D170 PolarHBondContact O-N 3.49Å; N167-E171 WeakPolarHBondContact O-CB 3.28Å; N167-E171 VanDerWaalsContact O-CG 3.29Å; N167-E171 WeakPolarHBondContact O-CG 3.44Å; N167-E171 PolarHBondContact O-N 3.24Å
168S95.8Very high95.6Very high2 Ų237.8 Ų37.81%0.01421%0.214CC..Hα-helixtrans-67.8-34.3178-62.90000112.5W40 Q164 S165 L166 V172W40-S168 VanDerWaalsContact CZ2-OG 3.32Å; W40-S168 WeakPolarHBondContact CZ2-OG 3.21Å; W40-S168 PolarHBondContact NE1-OG 3.38Å; Q164-S168 VanDerWaalsContact O-CB 3.26Å; Q164-S168 WeakPolarHBondContact O-CB 3.48Å; Q164-S168 PolarHBondContact O-N 3.42Å; Q164-S168 PolarHBondContact O-OG 3.41Å; S165-S168 PolarHBondContact O-N 3.04Å; L166-S168 PolarHBondContact O-N 3.44Å; S168-V172 VanDerWaalsContact O-CB 3.26Å; S168-V172 WeakPolarHBondContact O-CB 3.48Å; S168-V172 WeakPolarHBondContact O-CG2 3.27Å; S168-V172 PolarHBondContact O-N 3.23Å
169L95.6Very high95.4Very high2 Ų237.6 Ų37.61%0.0121%0.213CC..Hα-helixtrans-65.6-45.4177.4-70.6160.4000110.7Y121 V124 E125 L128 S165 L166 N167 V172 N173Y121-L169 HydrophobicContact CD1-CD2 4.39Å; Y121-L169 HydrophobicContact CD2-CD2 3.64Å; Y121-L169 HydrophobicContact CE1-CD2 4.38Å; Y121-L169 HydrophobicContact CE2-CB 4.16Å; Y121-L169 HydrophobicContact CE2-CD2 3.63Å; Y121-L169 HydrophobicContact CG-CD2 4.05Å; V124-L169 HydrophobicContact CB-CD2 3.95Å; V124-L169 HydrophobicContact CB-CG 4.35Å; V124-L169 HydrophobicContact CG1-CD1 4.14Å; V124-L169 HydrophobicContact CG1-CD2 3.84Å; V124-L169 HydrophobicContact CG1-CG 3.67Å; E125-L169 HydrophobicContact CG-CD2 3.71Å; L128-L169 HydrophobicContact CD2-CD1 4.08Å; S165-L169 WeakPolarHBondContact O-CG 3.26Å; S165-L169 PolarHBondContact O-N 3.28Å; L166-L169 WeakPolarHBondContact O-CB 3.35Å; L166-L169 PolarHBondContact O-N 3.3Å; L166-L169 VanDerWaalsContact O-N 3.07Å; N167-L169 VanDerWaalsContact C-N 3.35Å; L169-V172 PolarHBondContact O-N 2.84Å; L169-N173 WeakPolarHBondContact O-CB 3.38Å; L169-N173 PolarHBondContact O-N 2.87Å
170D93.6Very high95.2Very high102 Ų10236.3 Ų36.355%0.54520%0.2SC..Hα-helixtrans-62.2-46.3176.1-65.9-31.7000111.5L166 N167 N173 C174L166-D170 PolarHBondContact O-N 3.12Å; N167-D170 PolarHBondContact O-N 3.49Å; D170-N173 PolarHBondContact O-N 3.38Å; D170-C174 WeakPolarHBondContact O-CB 3.04Å; D170-C174 PolarHBondContact O-N 2.93Å
171E94.1Very high94.9Very high35 Ų3537.5 Ų37.516%0.16421%0.208CC..Hα-helixtrans-62-44.7177.1-77.2175.9-165.400112.1K35 L36 N167 C174 C175K35-E171 WeakPolarHBondContact CD-OE1 3.32Å; K35-E171 WeakPolarHBondContact CE-OE1 3.35Å; K35-E171 IonicContact NZ-OE1 2.8Å; K35-E171 PolarHBondContact NZ-OE1 2.97Å; L36-E171 HydrophobicContact CD1-CB 4.36Å; L36-E171 HydrophobicContact CD2-CB 3.84Å; L36-E171 WeakPolarHBondContact CD2-OE2 3.21Å; L36-E171 HydrophobicContact CG-CB 4.21Å; N167-E171 WeakPolarHBondContact O-CB 3.28Å; N167-E171 VanDerWaalsContact O-CG 3.29Å; N167-E171 WeakPolarHBondContact O-CG 3.44Å; N167-E171 PolarHBondContact O-N 3.24Å; E171-C174 PolarHBondContact O-N 3.45Å; E171-C175 VanDerWaalsContact O-CB 3.29Å; E171-C175 WeakPolarHBondContact O-CB 3.35Å; E171-C175 PolarHBondContact O-N 3.25Å; E171-C175 PolarHBondContact O-SG 3.41Å
172V95.3Very high94.5Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-64.8-43.9178.3170.40000110.9L36 L117 L120 Y121 S168 L169 C175 Y176 L203L36-V172 HydrophobicContact CD1-CG2 3.63Å; L36-V172 HydrophobicContact CD2-CG2 3.83Å; L36-V172 HydrophobicContact CG-CG2 4.38Å; L117-V172 HydrophobicContact CB-CG1 4.22Å; L117-V172 HydrophobicContact CD2-CG1 4.18Å; L117-V172 HydrophobicContact CD2-CG2 4.47Å; L117-V172 WeakPolarHBondContact O-CG1 3.32Å; L120-V172 HydrophobicContact CD2-CG2 3.74Å; L120-V172 HydrophobicContact CG-CG2 4.13Å; Y121-V172 HydrophobicContact CD2-CB 4.28Å; Y121-V172 HydrophobicContact CD2-CG1 3.96Å; Y121-V172 HydrophobicContact CG-CG1 4.39Å; S168-V172 VanDerWaalsContact O-CB 3.26Å; S168-V172 WeakPolarHBondContact O-CB 3.48Å; S168-V172 WeakPolarHBondContact O-CG2 3.27Å; S168-V172 PolarHBondContact O-N 3.23Å; L169-V172 PolarHBondContact O-N 2.84Å; V172-C175 PolarHBondContact O-N 2.77Å; V172-Y176 WeakPolarHBondContact O-CB 3.27Å; V172-Y176 PolarHBondContact O-N 3.33Å; V172-L203 HydrophobicContact CG1-CD1 3.9Å
173N94Very high94.2Very high43 Ų4334.2 Ų34.223%0.2320%0.196CC..Hα-helixtrans-63.5-44.3179.3-169.425.5000111.6Y121 L169 D170 Y176 G177 L203Y121-N173 HydrophobicContact CE2-CB 4.38Å; L169-N173 WeakPolarHBondContact O-CB 3.38Å; L169-N173 PolarHBondContact O-N 2.87Å; D170-N173 PolarHBondContact O-N 3.38Å; N173-Y176 PolarHBondContact O-N 3.41Å; N173-G177 PolarHBondContact O-N 2.8Å; N173-L203 HydrophobicContact CB-CB 4.48Å; N173-L203 PolarHBondContact ND2-O 3.27Å; N173-L203 WeakPolarHBondContact OD1-CB 3.28Å; N173-L203 PolarHBondContact OD1-N 3.4Å; N173-L203 VanDerWaalsContact OD1-N 3.1Å; N173-L203 PolarHBondContact OD1-O 3.13Å
174C92.1Very high93.8Very high75 Ų7539.1 Ų39.151%0.50721%0.206SC..Hα-helixtrans-60.6-51175.9-177.80000111.7D170 E171 Y176 G177 N178D170-C174 WeakPolarHBondContact O-CB 3.04Å; D170-C174 PolarHBondContact O-N 2.93Å; E171-C174 PolarHBondContact O-N 3.45Å; C174-Y176 VanDerWaalsContact C-N 3.33Å; C174-Y176 PolarHBondContact O-N 2.8Å; C174-G177 PolarHBondContact O-N 3.1Å; C174-N178 VanDerWaalsContact O-CG 3.23Å; C174-N178 PolarHBondContact O-N 3.43Å; C174-N178 PolarHBondContact O-ND2 2.89Å
175C93.4Very high93.4Very high4 Ų440.7 Ų40.73%0.02722%0.221CC..Hα-helixtrans-70.7-31.7-176.4-630000111.6C32 L33 E171 V172 L179C32-C175 HydrophobicContact CB-CB 4.38Å; C32-C175 WeakPolarHBondContact CB-SG 3.47Å; C32-C175 WeakPolarHBondContact SG-CB 3.36Å; C32-C175 CovalentContact SG-SG 2.04Å; C32-C175 PolarHBondContact SG-SG 3.16Å; L33-C175 HydrophobicContact CD2-CB 4.42Å; E171-C175 VanDerWaalsContact O-CB 3.29Å; E171-C175 WeakPolarHBondContact O-CB 3.35Å; E171-C175 PolarHBondContact O-N 3.25Å; E171-C175 PolarHBondContact O-SG 3.41Å; V172-C175 PolarHBondContact O-N 2.77Å; C175-L179 WeakPolarHBondContact O-CB 3.18Å; C175-L179 VanDerWaalsContact O-CG 3.3Å; C175-L179 WeakPolarHBondContact O-CG 3.48Å; C175-L179 PolarHBondContact O-N 3.18Å
176Y95.6Very high92.8Very high0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-62-53.6169.8-179.2-92.3000111.9L114 L117 I118 V172 N173 C174 N178 L179 F180 P200 L203L114-Y176 HydrophobicContact CB-CE2 3.97Å; L114-Y176 HydrophobicContact CD2-CD2 3.66Å; L114-Y176 HydrophobicContact CD2-CE2 3.64Å; L114-Y176 HydrophobicContact CD2-CG 4.35Å; L114-Y176 HydrophobicContact CG-CE2 4.39Å; L117-Y176 HydrophobicContact CB-CD2 3.98Å; L117-Y176 HydrophobicContact CD1-CD2 4.4Å; I118-Y176 HydrophobicContact CD1-CE2 3.81Å; I118-Y176 HydrophobicContact CG1-CD2 4.24Å; I118-Y176 HydrophobicContact CG1-CE2 3.56Å; V172-Y176 WeakPolarHBondContact O-CB 3.27Å; V172-Y176 PolarHBondContact O-N 3.33Å; N173-Y176 PolarHBondContact O-N 3.41Å; C174-Y176 VanDerWaalsContact C-N 3.33Å; C174-Y176 PolarHBondContact O-N 2.8Å; Y176-N178 VanDerWaalsContact C-N 3.27Å; Y176-N178 PolarHBondContact O-N 3.31Å; Y176-L179 PolarHBondContact O-N 2.94Å; Y176-F180 HydrophobicContact CE1-CB 4.39Å; Y176-F180 HydrophobicContact CE1-CD2 4.45Å; Y176-F180 VanDerWaalsContact O-CB 3.27Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 3.06Å; Y176-P200 WeakPolarHBondContact CE1-O 3.31Å; Y176-P200 WeakPolarHBondContact OH-CD 3.36Å; Y176-P200 PolarHBondContact OH-O 3.43Å; Y176-L203 HydrophobicContact CD1-CD1 4.04Å; Y176-L203 HydrophobicContact CD1-CD2 4.05Å; Y176-L203 HydrophobicContact CD1-CG 3.62Å; Y176-L203 HydrophobicContact CD2-CD1 3.9Å; Y176-L203 HydrophobicContact CD2-CD2 4.33Å; Y176-L203 HydrophobicContact CD2-CG 4.23Å; Y176-L203 HydrophobicContact CE1-CD2 3.95Å; Y176-L203 HydrophobicContact CE1-CG 4.04Å; Y176-L203 HydrophobicContact CE2-CD2 4.25Å; Y176-L203 HydrophobicContact CG-CD1 3.58Å; Y176-L203 HydrophobicContact CG-CD2 4.23Å; Y176-L203 HydrophobicContact CG-CG 3.72Å
177G93.2Very high91.3Very high28 Ų2845 Ų4529%0.28925%0.249SC..Hα-helixtrans-58.1-40.6-179.900000112.4N173 C174 F180 A181N173-G177 PolarHBondContact O-N 2.8Å; C174-G177 PolarHBondContact O-N 3.1Å; G177-F180 PolarHBondContact O-N 3.28Å; G177-A181 PolarHBondContact O-N 3.22Å
178N92.8Very high89.8Confident34 Ų3447.9 Ų47.918%0.18227%0.265CS..Hα-helixtrans-64-47.3176.7-70.4-24.6000112.7Y25 Q29 C174 Y176 F180 A181 V182Y25-N178 HydrophobicContact CE1-CB 3.74Å; Y25-N178 PolarHBondContact OH-OD1 3.15Å; Q29-N178 VanDerWaalsContact CD-CB 3.49Å; Q29-N178 HydrophobicContact CG-CB 4.05Å; Q29-N178 PolarHBondContact NE2-ND2 3.41Å; Q29-N178 PolarHBondContact OE1-ND2 2.97Å; C174-N178 VanDerWaalsContact O-CG 3.23Å; C174-N178 PolarHBondContact O-N 3.43Å; C174-N178 PolarHBondContact O-ND2 2.89Å; Y176-N178 VanDerWaalsContact C-N 3.27Å; Y176-N178 PolarHBondContact O-N 3.31Å; N178-F180 VanDerWaalsContact C-N 3.32Å; N178-A181 WeakPolarHBondContact O-CB 3.3Å; N178-A181 PolarHBondContact O-N 2.97Å; N178-V182 PolarHBondContact O-N 3.31Å
179L93.4Very high88.4Confident0 Ų048.6 Ų48.60%027%0.269CS..Hα-helixtrans-70-31.3177.9-69.9-179000112.4Q29 L33 F92 L110 L114 L117 C175 Y176 A181 V182 R183Q29-L179 HydrophobicContact CB-CD2 4.14Å; Q29-L179 HydrophobicContact CB-CG 4.46Å; Q29-L179 HydrophobicContact CG-CD2 3.96Å; Q29-L179 HydrophobicContact CG-CG 4.28Å; L33-L179 HydrophobicContact CD1-CD1 4.29Å; F92-L179 HydrophobicContact CE1-CD1 4.05Å; F92-L179 HydrophobicContact CE1-CD2 3.96Å; F92-L179 HydrophobicContact CE2-CD2 4.31Å; F92-L179 HydrophobicContact CZ-CD1 4.03Å; F92-L179 HydrophobicContact CZ-CD2 3.45Å; F92-L179 VanDerWaalsContact CZ-CD2 3.45Å; F92-L179 HydrophobicContact CZ-CG 4.4Å; L110-L179 HydrophobicContact CD1-CB 4.13Å; L110-L179 HydrophobicContact CD1-CD2 4.18Å; L114-L179 HydrophobicContact CD2-CB 3.76Å; L117-L179 HydrophobicContact CD1-CD1 3.93Å; C175-L179 WeakPolarHBondContact O-CB 3.18Å; C175-L179 VanDerWaalsContact O-CG 3.3Å; C175-L179 WeakPolarHBondContact O-CG 3.48Å; C175-L179 PolarHBondContact O-N 3.18Å; Y176-L179 PolarHBondContact O-N 2.94Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-V182 WeakPolarHBondContact O-CB 3.36Å; L179-V182 PolarHBondContact O-N 2.96Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 3.44Å
180F93.2Very high87.6Confident27 Ų2756.7 Ų56.712%0.11830%0.304CS..Hα-helixtrans-65.6-39.2173.8-172.5-96.5000111.1L114 Y176 G177 N178 R183 R184 L199L114-F180 HydrophobicContact CD1-CD2 4.37Å; L114-F180 HydrophobicContact CD2-CB 4.27Å; Y176-F180 HydrophobicContact CE1-CB 4.39Å; Y176-F180 HydrophobicContact CE1-CD2 4.45Å; Y176-F180 VanDerWaalsContact O-CB 3.27Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 3.06Å; G177-F180 PolarHBondContact O-N 3.28Å; N178-F180 VanDerWaalsContact C-N 3.32Å; F180-R183 WeakPolarHBondContact O-CB 3.47Å; F180-R183 PolarHBondContact O-N 3.36Å; F180-R184 HydrophobicContact CD1-CG 4.33Å; F180-R184 HydrophobicContact CE1-CG 4.01Å; F180-R184 HydrophobicContact CZ-CG 4.44Å; F180-R184 WeakPolarHBondContact O-CG 3.41Å; F180-R184 PolarHBondContact O-N 3.44Å; F180-L199 HydrophobicContact CD2-CB 4.45Å; F180-L199 HydrophobicContact CE2-CB 3.89Å
181A91.3Very high87Confident44 Ų4454.5 Ų54.536%0.36430%0.295SS..Hα-helixtrans-61.1-45.8173.100000111.7G177 N178 L179 R183 R184 S185G177-A181 PolarHBondContact O-N 3.22Å; N178-A181 WeakPolarHBondContact O-CB 3.3Å; N178-A181 PolarHBondContact O-N 2.97Å; L179-A181 VanDerWaalsContact C-N 3.34Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 3.07Å; A181-R184 PolarHBondContact O-N 3.01Å; A181-S185 PolarHBondContact O-N 3.23Å; A181-S185 VanDerWaalsContact O-N 3.12Å; A181-S185 PolarHBondContact O-OG 3.21Å
182V90.7Very high86.6Confident4 Ų455.6 Ų55.62%0.02430%0.297CS..Hα-helixtrans-54.8-47172.4172.10000110.5I22 Y25 S26 L110 N178 L179 R184 S185 L186I22-V182 HydrophobicContact CG2-CG1 3.79Å; Y25-V182 HydrophobicContact CD1-CG2 3.64Å; Y25-V182 HydrophobicContact CE1-CG2 4.41Å; S26-V182 VanDerWaalsContact OG-CG1 3.27Å; S26-V182 WeakPolarHBondContact OG-CG1 3.19Å; L110-V182 HydrophobicContact CD2-CB 4.4Å; L110-V182 HydrophobicContact CD2-CG1 3.86Å; N178-V182 PolarHBondContact O-N 3.31Å; L179-V182 WeakPolarHBondContact O-CB 3.36Å; L179-V182 PolarHBondContact O-N 2.96Å; V182-R184 VanDerWaalsContact C-N 3.26Å; V182-R184 PolarHBondContact O-N 3.2Å; V182-S185 PolarHBondContact O-N 3.25Å; V182-L186 HydrophobicContact CG1-CD1 4.45Å; V182-L186 WeakPolarHBondContact O-CG 3.32Å; V182-L186 PolarHBondContact O-N 2.68Å
183R90.2Very high86.2Confident51 Ų5156.5 Ų56.519%0.19230%0.302CS..Hα-helixtrans-59.6-36.8-178.4177.757-176.386.3-1.4112.7L110 D111 L114 L179 F180 A181 T189L110-R183 VanDerWaalsContact CD2-CA 3.42Å; L110-R183 HydrophobicContact CD2-CB 3.52Å; L110-R183 HydrophobicContact CD2-CG 4.22Å; L110-R183 HydrophobicContact CG-CB 4.04Å; D111-R183 VanDerWaalsContact OD1-CD 3.22Å; D111-R183 WeakPolarHBondContact OD1-CD 3.48Å; D111-R183 IonicContact OD1-CZ 3.49Å; D111-R183 IonicContact OD1-NE 3.31Å; D111-R183 PolarHBondContact OD1-NE 2.96Å; D111-R183 IonicContact OD2-CZ 2.79Å; D111-R183 IonicContact OD2-NE 3.88Å; D111-R183 PolarHBondContact OD2-NE 3.01Å; D111-R183 IonicContact OD2-NH2 3.99Å; D111-R183 PolarHBondContact OD2-NH2 2.89Å; L114-R183 HydrophobicContact CD1-CB 4.02Å; L114-R183 HydrophobicContact CD1-CG 4.13Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 3.44Å; F180-R183 WeakPolarHBondContact O-CB 3.47Å; F180-R183 PolarHBondContact O-N 3.36Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 3.07Å; R183-T189 PolarHBondContact NH1-OG1 3.48Å; R183-T189 PolarHBondContact NH2-OG1 3.26Å
184R88.8Confident85.7Confident185 Ų18557 Ų5770%0.69831%0.308SS*.Hα-helixtrans-73.2-30176.5-69.1-172.5114.8170.50.9113.1F180 A181 V182 L186F180-R184 HydrophobicContact CD1-CG 4.33Å; F180-R184 HydrophobicContact CE1-CG 4.01Å; F180-R184 HydrophobicContact CZ-CG 4.44Å; F180-R184 WeakPolarHBondContact O-CG 3.41Å; F180-R184 PolarHBondContact O-N 3.44Å; A181-R184 PolarHBondContact O-N 3.01Å; V182-R184 VanDerWaalsContact C-N 3.26Å; V182-R184 PolarHBondContact O-N 3.2Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 3.45Å
185S88.6Confident85.1Confident68 Ų6859.7 Ų59.748%0.47633%0.328SS..Hα-helixtrans-75.6-13.5177.3-57.10000113.6A181 V182A181-S185 PolarHBondContact O-N 3.23Å; A181-S185 VanDerWaalsContact O-N 3.12Å; A181-S185 PolarHBondContact O-OG 3.21Å; V182-S185 PolarHBondContact O-N 3.25Å
186L85.4Confident84.6Confident13 Ų1365.8 Ų65.87%0.06836%0.36CS..  trans-87110.9174.1-59.6173.8000109.1C18 C104 L110 V182 R184 T189C18-L186 HydrophobicContact CB-CD2 4.01Å; C104-L186 HydrophobicContact CB-CD2 4.23Å; L110-L186 HydrophobicContact CD2-CD1 3.88Å; V182-L186 HydrophobicContact CG1-CD1 4.45Å; V182-L186 WeakPolarHBondContact O-CG 3.32Å; V182-L186 PolarHBondContact O-N 2.68Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 3.45Å; L186-T189 HydrophobicContact CB-CG2 3.65Å; L186-T189 HydrophobicContact CD1-CG2 4.18Å; L186-T189 HydrophobicContact CG-CG2 4.49Å
187T65.4Low84Confident147 Ų14767.1 Ų67.190%0.90237%0.367SS*.SBendtrans-71.4-29.3-16741.30000115.1
188D63.8Low83.6Confident142 Ų14271.7 Ų71.776%0.75939%0.389SS*.SBendtrans-150.180.1-174.7-167.810.8000111.8
189T66.2Low83.2Confident16 Ų1670.9 Ų70.910%0.09839%0.385CS..  trans-117115.7178.365.70000110.7I16 R183 L186 T191I16-T189 HydrophobicContact CD1-CG2 3.57Å; R183-T189 PolarHBondContact NH1-OG1 3.48Å; R183-T189 PolarHBondContact NH2-OG1 3.26Å; L186-T189 HydrophobicContact CB-CG2 3.65Å; L186-T189 HydrophobicContact CD1-CG2 4.18Å; L186-T189 HydrophobicContact CG-CG2 4.49Å; T189-T191 PolarHBondContact O-N 2.99Å
190K78Confident83Confident172 Ų17273.6 Ų73.675%0.74840%0.402SS*.  trans-47.6130.4162.2-66.8-175.3179.4-178.80108.8H108H108-K190 PolarHBondContact CD2-O 2.94Å; H108-K190 PolarHBondContact N-O 3.28Å; H108-K190 VanDerWaalsContact NE2-CB 3.34Å; H108-K190 WeakPolarHBondContact NE2-CB 3.41Å; H108-K190 PolarHBondContact NE2-O 3.39Å
191T82.6Confident82.5Confident56 Ų5676 Ų7634%0.34442%0.423SS..  trans-115.1154.4175.7-175.20000109.4H108 D111 T189 L193H108-T191 PolarHBondContact CE1-O 2.99Å; D111-T191 WeakPolarHBondContact OD2-CB 3.42Å; D111-T191 PolarHBondContact OD2-OG1 3.02Å; T189-T191 PolarHBondContact O-N 2.99Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 HydrophobicContact CG2-CB 4.23Å; T191-L193 WeakPolarHBondContact OG1-CB 3.44Å; T191-L193 PolarHBondContact OG1-N 2.95Å
192W85.8Confident82.3Confident58 Ų5876 Ų7622%0.2242%0.42CS..  trans-90.3-8.5168.863.9-88.6000111.4L5 I7 F9 H108 H112 V115L5-W192 HydrophobicContact CB-CH2 4.5Å; L5-W192 HydrophobicContact CD1-CH2 4.04Å; L5-W192 HydrophobicContact CD1-CZ3 4.3Å; I7-W192 HydrophobicContact CG2-CH2 4.29Å; F9-W192 HydrophobicContact CE1-CD2 4.38Å; F9-W192 HydrophobicContact CE1-CE3 4.08Å; F9-W192 HydrophobicContact CE1-CH2 4.06Å; F9-W192 HydrophobicContact CE1-CZ2 4.38Å; F9-W192 AromaticContact CE1-CZ3 3.9Å; F9-W192 HydrophobicContact CE1-CZ3 3.9Å; F9-W192 HydrophobicContact CE2-CD2 4.39Å; F9-W192 HydrophobicContact CE2-CG 4.49Å; F9-W192 AromaticContact CZ-CD2 3.55Å; F9-W192 HydrophobicContact CZ-CD2 3.55Å; F9-W192 AromaticContact CZ-CE2 3.63Å; F9-W192 AromaticContact CZ-CE3 3.68Å; F9-W192 HydrophobicContact CZ-CE3 3.68Å; F9-W192 HydrophobicContact CZ-CG 4.09Å; F9-W192 AromaticContact CZ-CH2 3.97Å; F9-W192 HydrophobicContact CZ-CH2 3.97Å; F9-W192 AromaticContact CZ-CZ2 3.87Å; F9-W192 HydrophobicContact CZ-CZ2 3.87Å; F9-W192 AromaticContact CZ-CZ3 3.89Å; F9-W192 HydrophobicContact CZ-CZ3 3.89Å; H108-W192 PolarHBondContact CE1-N 3.04Å; H108-W192 AromaticContact ND1-CD1 3.92Å; H108-W192 PolarHBondContact ND1-N 3.32Å; H108-W192 VanDerWaalsContact ND1-N 3.15Å; H108-W192 VanDerWaalsContact O-CD1 3.31Å; H108-W192 PolarHBondContact O-NE1 2.92Å; H112-W192 HydrophobicContact CB-CZ2 4.37Å; V115-W192 HydrophobicContact CB-CZ2 4.39Å; V115-W192 HydrophobicContact CG2-CH2 4.25Å; V115-W192 HydrophobicContact CG2-CZ2 4.01Å
193L85.4Confident82Confident19 Ų1976.4 Ų76.410%0.09942%0.422CS..SBendtrans-66.1131.5-179.9-71.3172.8000110.2L5 D111 V115 T191 L199L5-L193 HydrophobicContact CD1-CD2 3.63Å; D111-L193 HydrophobicContact CB-CD1 3.87Å; D111-L193 HydrophobicContact CB-CG 4.2Å; V115-L193 HydrophobicContact CG2-CD2 3.89Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 HydrophobicContact CG2-CB 4.23Å; T191-L193 WeakPolarHBondContact OG1-CB 3.44Å; T191-L193 PolarHBondContact OG1-N 2.95Å; L193-L199 HydrophobicContact CD1-CD1 3.68Å; L193-L199 HydrophobicContact CD1-CD2 4.08Å; L193-L199 HydrophobicContact CD1-CG 3.72Å
194P83.3Confident81.2Confident54 Ų5479.7 Ų79.735%0.35144%0.443SS..  trans-54.6143.2167.5-2736.2000112D196 I197P194-D196 WeakPolarHBondContact CB-OD1 3.22Å; P194-D196 PolarHBondContact O-N 3.49Å; P194-D196 VanDerWaalsContact O-N 3.13Å; P194-I197 HydrophobicContact CB-CD1 4.24Å; P194-I197 HydrophobicContact CB-CG1 4.27Å; P194-I197 HydrophobicContact CG-CD1 4.02Å; P194-I197 PolarHBondContact O-N 2.81Å
195S80.6Confident79.7Confident132 Ų13274 Ų7492%0.92342%0.424SS*.THydrogen-bonded Turntrans-61.8-21.6-175.7-50.50000114.2I197S195-I197 VanDerWaalsContact C-N 3.32Å
196D82.4Confident77.5Confident132 Ų13279.5 Ų79.571%0.70644%0.443SS*.THydrogen-bonded Turntrans-78.8-13.617660.5-55.8000113.2P194P194-D196 WeakPolarHBondContact CB-OD1 3.22Å; P194-D196 PolarHBondContact O-N 3.49Å; P194-D196 VanDerWaalsContact O-N 3.13Å
197I83Confident75.3Confident27 Ų2784.2 Ų84.214%0.13847%0.472CS..  trans-100.4105.9-177-58.3-178.6000110.2A2 L5 P194 S195A2-I197 HydrophobicContact CB-CG2 4.07Å; L5-I197 HydrophobicContact CD1-CD1 3.8Å; L5-I197 HydrophobicContact CD1-CG2 4.27Å; L5-I197 HydrophobicContact CD2-CD1 3.39Å; L5-I197 HydrophobicContact CG-CD1 3.82Å; P194-I197 HydrophobicContact CB-CD1 4.24Å; P194-I197 HydrophobicContact CB-CG1 4.27Å; P194-I197 HydrophobicContact CG-CD1 4.02Å; P194-I197 PolarHBondContact O-N 2.81Å; S195-I197 VanDerWaalsContact C-N 3.32Å
198T84.2Confident73.5Confident124 Ų12485.8 Ų85.876%0.76147%0.466SS*.PPolyproline II helixtrans-91.1128.3170.1-55.10000110.3
199L85.3Confident72.3Confident18 Ų1884 Ų849%0.09446%0.463CS..PPolyproline II helixtrans-73.1130.7171.1-69.4175.7000109.8A2 L114 V115 I118 F180 L193A2-L199 HydrophobicContact CB-CD2 4.34Å; L114-L199 HydrophobicContact CB-CD1 4.13Å; L114-L199 HydrophobicContact CD1-CD1 3.81Å; V115-L199 HydrophobicContact CG2-CD2 4.01Å; I118-L199 HydrophobicContact CD1-CD2 3.69Å; F180-L199 HydrophobicContact CD2-CB 4.45Å; F180-L199 HydrophobicContact CE2-CB 3.89Å; L193-L199 HydrophobicContact CD1-CD1 3.68Å; L193-L199 HydrophobicContact CD1-CD2 4.08Å; L193-L199 HydrophobicContact CD1-CG 3.72Å
200P88.3Confident70.5Confident56 Ų5689.2 Ų89.236%0.36450%0.497SS..PPolyproline II helixtrans-64.6151.2177.927.7-34.5000111.2I118 Y176 S202 L203I118-P200 HydrophobicContact CD1-CG 4.23Å; Y176-P200 WeakPolarHBondContact CE1-O 3.31Å; Y176-P200 WeakPolarHBondContact OH-CD 3.36Å; Y176-P200 PolarHBondContact OH-O 3.43Å; P200-S202 VanDerWaalsContact C-N 3.31Å; P200-S202 PolarHBondContact O-N 3.26Å; P200-L203 HydrophobicContact CG-CD2 4.11Å
201S84.5Confident68.3Low78 Ų7885.1 Ų85.155%0.54550%0.495SS..SBendtrans-75.8-20.8177.6550000113.7
202S85.3Confident65.7Low44 Ų4487.5 Ų87.531%0.30851%0.51SS..  trans-151.5152.8179.756.70000110.2P200 N204P200-S202 VanDerWaalsContact C-N 3.31Å; P200-S202 PolarHBondContact O-N 3.26Å; S202-N204 PolarHBondContact O-N 3.32Å; S202-N204 PolarHBondContact OG-ND2 3.32Å
203L84.9Confident63.1Low13 Ų1391.5 Ų91.57%0.06854%0.535CS..  trans-97.869.8172.7-51.8177.4000107.2I118 Y121 V172 N173 Y176 P200I118-L203 HydrophobicContact CG1-CD2 3.76Å; Y121-L203 HydrophobicContact CD1-CB 4.39Å; Y121-L203 HydrophobicContact CD2-CB 4.1Å; Y121-L203 HydrophobicContact CD2-CD1 4.03Å; Y121-L203 HydrophobicContact CE1-CB 4.3Å; Y121-L203 HydrophobicContact CE2-CB 4.02Å; Y121-L203 HydrophobicContact CG-CB 4.27Å; Y121-L203 HydrophobicContact CG-CD1 4.04Å; Y121-L203 PolarHBondContact OH-O 3.24Å; Y121-L203 VanDerWaalsContact OH-O 3.11Å; V172-L203 HydrophobicContact CG1-CD1 3.9Å; N173-L203 HydrophobicContact CB-CB 4.48Å; N173-L203 PolarHBondContact ND2-O 3.27Å; N173-L203 WeakPolarHBondContact OD1-CB 3.28Å; N173-L203 PolarHBondContact OD1-N 3.4Å; N173-L203 VanDerWaalsContact OD1-N 3.1Å; N173-L203 PolarHBondContact OD1-O 3.13Å; Y176-L203 HydrophobicContact CD1-CD1 4.04Å; Y176-L203 HydrophobicContact CD1-CD2 4.05Å; Y176-L203 HydrophobicContact CD1-CG 3.62Å; Y176-L203 HydrophobicContact CD2-CD1 3.9Å; Y176-L203 HydrophobicContact CD2-CD2 4.33Å; Y176-L203 HydrophobicContact CD2-CG 4.23Å; Y176-L203 HydrophobicContact CE1-CD2 3.95Å; Y176-L203 HydrophobicContact CE1-CG 4.04Å; Y176-L203 HydrophobicContact CE2-CD2 4.25Å; Y176-L203 HydrophobicContact CG-CD1 3.58Å; Y176-L203 HydrophobicContact CG-CD2 4.23Å; Y176-L203 HydrophobicContact CG-CG 3.72Å; P200-L203 HydrophobicContact CG-CD2 4.11Å
204N73.8Confident60.9Low119 Ų11996.4 Ų96.464%0.63657%0.566SS**  trans-77.6133.5179.3-77.3-21.5000111.3S202S202-N204 PolarHBondContact O-N 3.32Å; S202-N204 PolarHBondContact OG-ND2 3.32Å
205H57.9Low58.5Low66 Ų66100.9 Ų100.931%0.30659%0.587SS.*  trans-63.9135173.8-85.9-59000112.8Y121 E125 T207Y121-H205 AromaticContact CZ-CE1 3.68Å; Y121-H205 AromaticContact CZ-ND1 3.87Å; Y121-H205 PolarHBondContact OH-CD2 2.93Å; Y121-H205 VanDerWaalsContact OH-CD2 3.3Å; Y121-H205 PolarHBondContact OH-CE1 3.5Å; Y121-H205 PolarHBondContact OH-N 3.08Å; Y121-H205 PolarHBondContact OH-ND1 2.87Å; Y121-H205 PolarHBondContact OH-NE2 3.19Å; E125-H205 IonicContact OE1-CE1 2.64Å; E125-H205 IonicContact OE1-ND1 3.53Å; E125-H205 PolarHBondContact OE1-ND1 3.44Å; H205-T207 WeakPolarHBondContact CB-OG1 3.48Å
206Q42.6Very low56Low184 Ų18499.2 Ų99.286%0.8657%0.567SS**  trans-90.582.7146.8-72.5-174.72.800107.7K208Q206-K208 PolarHBondContact O-N 3.35Å; Q206-K208 VanDerWaalsContact O-N 3.16Å
207T37.7Very low53.6Low112 Ų112104.8 Ų104.869%0.68758%0.578SS**  trans-78.417.1177-0.10000113.5H205 P209H205-T207 WeakPolarHBondContact CB-OG1 3.48Å; T207-P209 WeakPolarHBondContact O-CD 3.43Å
208K28.9Very low51.1Low179 Ų179110.4 Ų110.478%0.77860%0.604SS**  trans-84.8105.8159.7-88.3-177.3177.4178.30107.1Q206Q206-K208 PolarHBondContact O-N 3.35Å; Q206-K208 VanDerWaalsContact O-N 3.16Å
209P36.8Very low48.6Very low106 Ų106110.1 Ų110.169%0.68860%0.602SS**  trans-50.7136.3151.724.4-31.4000106.1T207 A211T207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-A211 PolarHBondContact O-N 3.12Å
210P29.5Very low46.1Very low125 Ų125114.1 Ų114.181%0.81262%0.623SS**  trans-47.4119.7-179.917.4-29.7000107.9T212P210-T212 PolarHBondContact O-N 3.19Å
211A31.3Very low43.3Very low85 Ų85118 Ų11870%0.70264%0.64SS**  trans-61.9105.9174.700000105.8P209P209-A211 PolarHBondContact O-N 3.12Å
212T29.3Very low41Very low107 Ų107116.8 Ų116.866%0.65663%0.625SS**  trans45.3101.9157.443.80000116.6P210 V214P210-T212 PolarHBondContact O-N 3.19Å; T212-V214 HydrophobicContact CG2-CG2 3.6Å
213D29.5Very low38.3Very low142 Ų142116 Ų11676%0.75963%0.625SS**  -113.1100.3122.3-96.6-35.9000107.8N215D213-N215 PolarHBondContact O-N 3.36Å; D213-N215 VanDerWaalsContact O-N 3.09Å
214V40.1Very low35.5Very low122 Ų122123.8 Ų123.874%0.73966%0.661SS**THydrogen-bonded Turntrans-714.7179.5-178.70000111.7T212T212-V214 HydrophobicContact CG2-CG2 3.6Å
215N33.7Very low33.3Very low147 Ų147124.6 Ų124.679%0.78666%0.663SS**THydrogen-bonded Turntrans-117.30.5-177.9-83.1-19.6000116.9D213 R217D213-N215 PolarHBondContact O-N 3.36Å; D213-N215 VanDerWaalsContact O-N 3.09Å; N215-R217 PolarHBondContact O-N 3.05Å; N215-R217 VanDerWaalsContact O-N 3.1Å
216N27.6Very low31.7Very low97 Ų97132.4 Ų132.452%0.51969%0.69SS.*  trans-88.688.7171.7-80.810.3000110.9E218N216-E218 HydrophobicContact CB-CB 4.14Å; N216-E218 HydrophobicContact CB-CG 3.87Å; N216-E218 PolarHBondContact ND2-OE1 3.44Å; N216-E218 PolarHBondContact ND2-OE2 3.04Å; N216-E218 VanDerWaalsContact ND2-OE2 3.09Å; N216-E218 PolarHBondContact O-N 2.75Å
217R30.9Very low31.2Very low249 Ų249128 Ų12894%0.9468%0.676SS**  trans-58.432147.8-101.4-178.7178.8171.50.7112N215 V219N215-R217 PolarHBondContact O-N 3.05Å; N215-R217 VanDerWaalsContact O-N 3.1Å; R217-V219 PolarHBondContact O-N 3.2Å
218E32.1Very low30.9Very low146 Ų146132.5 Ų132.568%0.68269%0.686SS**  trans-66.387.1171.7-80.4-179.9155.500107.5N216 L220N216-E218 HydrophobicContact CB-CB 4.14Å; N216-E218 HydrophobicContact CB-CG 3.87Å; N216-E218 PolarHBondContact ND2-OE1 3.44Å; N216-E218 PolarHBondContact ND2-OE2 3.04Å; N216-E218 VanDerWaalsContact ND2-OE2 3.09Å; N216-E218 PolarHBondContact O-N 2.75Å; E218-L220 PolarHBondContact O-N 3.3Å
219V30.5Very low31.1Very low117 Ų117128.9 Ų128.971%0.70968%0.675SS**  trans34.286.7137.3-169.10000110.2R217 D221R217-V219 PolarHBondContact O-N 3.2Å; V219-D221 HydrophobicContact CG1-CB 4.24Å; V219-D221 PolarHBondContact O-N 2.93Å
220L33.9Very low30.8Very low103 Ų103130.6 Ų130.654%0.53968%0.677SS.*  trans-5383.9151.6-73.7158000106.5L65 E218 F222L65-L220 HydrophobicContact CD1-CD1 4.09Å; E218-L220 PolarHBondContact O-N 3.3Å; L220-F222 HydrophobicContact CB-CD2 3.76Å; L220-F222 HydrophobicContact CB-CE2 3.38Å; L220-F222 HydrophobicContact CB-CZ 3.92Å; L220-F222 HydrophobicContact CD1-CE2 3.85Å; L220-F222 HydrophobicContact CD1-CZ 4.05Å; L220-F222 HydrophobicContact CD2-CE2 4.3Å; L220-F222 HydrophobicContact CD2-CZ 3.97Å; L220-F222 HydrophobicContact CG-CE2 4.05Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; L220-F222 VanDerWaalsContact O-CD2 3.28Å; L220-F222 WeakPolarHBondContact O-CD2 3.06Å; L220-F222 PolarHBondContact O-N 3.29Å
221D27.7Very low31Very low136 Ų136129.4 Ų129.473%0.72767%0.669SS**  trans-72.280.6175.4-171.520.6000106.1V219 G223V219-D221 HydrophobicContact CG1-CB 4.24Å; V219-D221 PolarHBondContact O-N 2.93Å; D221-G223 PolarHBondContact O-N 3.07Å
222F38Very low31.1Very low53 Ų53134 Ų13423%0.23267%0.673CS.*  trans-72.364.7166.2-64-73000107.1L65 K68 L220 E224L65-F222 HydrophobicContact CD1-CE2 4.24Å; L65-F222 HydrophobicContact CD1-CZ 4.42Å; K68-F222 HydrophobicContact CB-CD1 4.35Å; K68-F222 HydrophobicContact CB-CD2 4.45Å; K68-F222 HydrophobicContact CB-CE1 4Å; K68-F222 HydrophobicContact CB-CE2 4.07Å; K68-F222 HydrophobicContact CB-CZ 3.85Å; K68-F222 HydrophobicContact CD-CD2 4.41Å; K68-F222 HydrophobicContact CD-CE2 4.38Å; L220-F222 HydrophobicContact CB-CD2 3.76Å; L220-F222 HydrophobicContact CB-CE2 3.38Å; L220-F222 HydrophobicContact CB-CZ 3.92Å; L220-F222 HydrophobicContact CD1-CE2 3.85Å; L220-F222 HydrophobicContact CD1-CZ 4.05Å; L220-F222 HydrophobicContact CD2-CE2 4.3Å; L220-F222 HydrophobicContact CD2-CZ 3.97Å; L220-F222 HydrophobicContact CG-CE2 4.05Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; L220-F222 VanDerWaalsContact O-CD2 3.28Å; L220-F222 WeakPolarHBondContact O-CD2 3.06Å; L220-F222 PolarHBondContact O-N 3.29Å; F222-E224 PolarHBondContact O-N 3.14Å
223G28.3Very low31.7Very low28 Ų28133 Ų13329%0.28966%0.66SS.*  trans-48.6113.6176.800000109.4R75 D221 I225R75-G223 PolarHBondContact NH1-O 3.41Å; D221-G223 PolarHBondContact O-N 3.07Å; G223-I225 PolarHBondContact O-N 3.15Å
224E25.7Very low31.7Very low177 Ų177134.3 Ų134.383%0.82767%0.666SS**  trans-80.174-177.7-165177.6-16000108.4F222 R226F222-E224 PolarHBondContact O-N 3.14Å; E224-R226 PolarHBondContact O-N 3.41Å
225I28.2Very low31.1Very low135 Ų135133.9 Ų133.969%0.69266%0.664SS**  trans-73.1104.5170.6-56.9176.1000107G223 T227G223-I225 PolarHBondContact O-N 3.15Å; I225-T227 VanDerWaalsContact C-N 3.26Å; I225-T227 HydrophobicContact CG2-CG2 4.48Å; I225-T227 PolarHBondContact O-N 3Å
226R24.1Very low30.9Very low231 Ų231131.3 Ų131.387%0.87266%0.663SS**  trans-58.287.4168.3-73.3-176.2180-175.41.1109.4E224 K228E224-R226 PolarHBondContact O-N 3.41Å; R226-K228 PolarHBondContact O-N 2.04Å
227T32.5Very low30.9Very low90 Ų90136.5 Ų136.555%0.55268%0.681SS**  trans-78.9116.8164.331.40000106.9I225 D229I225-T227 VanDerWaalsContact C-N 3.26Å; I225-T227 HydrophobicContact CG2-CG2 4.48Å; I225-T227 PolarHBondContact O-N 3Å; T227-D229 PolarHBondContact O-N 3.21Å
228K30.6Very low30.7Very low208 Ų208127.5 Ų127.590%0.90467%0.666SS**  trans-64.191.1167.3-80.3176.7172.6175.50107.1R226 I230R226-K228 PolarHBondContact O-N 2.04Å; K228-I230 PolarHBondContact O-N 2.84Å
229D32.7Very low30.5Very low102 Ų102126.8 Ų126.855%0.54567%0.672SS.*  trans-66.189.8175.9-75.7-33.4000109.6T227T227-D229 PolarHBondContact O-N 3.21Å
230I30.9Very low30.3Very low142 Ų142126.5 Ų126.573%0.72867%0.673SS**  trans-89.5114.7153.2-61.9174.7000105.7K228 K232K228-I230 PolarHBondContact O-N 2.84Å; I230-K232 PolarHBondContact O-N 2.8Å
231P34.1Very low30Very low101 Ų101129.3 Ų129.366%0.65669%0.688SS**  trans-7099.7-178.7-1.214.2000109.5F233P231-F233 PolarHBondContact O-N 2.79Å; P231-F233 VanDerWaalsContact O-N 3.15Å
232K33.8Very low29.8Very low181 Ų181130.4 Ų130.479%0.78769%0.694SS**G310 helixtrans-70.36.8163.2-73.9-173.9177178.80112.7I230 L234I230-K232 PolarHBondContact O-N 2.8Å; K232-L234 VanDerWaalsContact C-N 3.32Å; K232-L234 PolarHBondContact O-N 3.28Å
233F40.1Very low29.1Very low87 Ų87133 Ų13338%0.38272%0.718SS.*G310 helixtrans-70.7-19.2-174.1-109.5-89.5000114.9Y42 L48 H51 P231Y42-F233 HydrophobicContact CD1-CE1 4.29Å; Y42-F233 HydrophobicContact CD1-CE2 4.28Å; Y42-F233 AromaticContact CD1-CZ 3.46Å; Y42-F233 HydrophobicContact CD1-CZ 3.46Å; Y42-F233 VanDerWaalsContact CD1-CZ 3.46Å; Y42-F233 HydrophobicContact CD2-CZ 4.3Å; Y42-F233 HydrophobicContact CE1-CE2 4.11Å; Y42-F233 AromaticContact CE1-CZ 3.71Å; Y42-F233 HydrophobicContact CE1-CZ 3.71Å; Y42-F233 HydrophobicContact CE2-CZ 4.49Å; Y42-F233 HydrophobicContact CG-CE1 4.35Å; Y42-F233 AromaticContact CG-CZ 3.77Å; Y42-F233 HydrophobicContact CG-CZ 3.77Å; L48-F233 HydrophobicContact CD2-CE1 4.18Å; H51-F233 AromaticContact CE1-CE2 4Å; P231-F233 PolarHBondContact O-N 2.79Å; P231-F233 VanDerWaalsContact O-N 3.15Å
234L29.4Very low28.9Very low168 Ų168139.3 Ų139.388%0.8875%0.746SS**G310 helixtrans-105.12.1-176.9-68.9173.7000114.7K232K232-L234 VanDerWaalsContact C-N 3.32Å; K232-L234 PolarHBondContact O-N 3.28Å
235T28.3Very low28.9Very low114 Ų114136.7 Ų136.770%0.69975%0.747SS**  trans-111.521-178.446.50000114.7K237T235-K237 PolarHBondContact O-N 2.93Å
236A29.3Very low28.6Very low93 Ų93138.1 Ų138.177%0.76975%0.75SS**  trans-76.467160.500000110.2G238A236-G238 PolarHBondContact O-N 3.35Å
237K27.4Very low28.4Very low205 Ų205135.3 Ų135.389%0.89175%0.747SS**  trans-68.176.3149.8-89.6-175.6174.6-1800106.2T235 T239T235-K237 PolarHBondContact O-N 2.93Å; K237-T239 PolarHBondContact O-N 3.05Å
238G27.6Very low28.1Very low61 Ų61135.5 Ų135.563%0.62976%0.758SS**  trans-66.7109.8162.500000106.5A236A236-G238 PolarHBondContact O-N 3.35Å
239T26.6Very low27.6Very low130 Ų130133.5 Ų133.580%0.79876%0.755SS**  trans-46.9123.8164.4-13.10000107.8K237 D241K237-T239 PolarHBondContact O-N 3.05Å; T239-D241 PolarHBondContact O-N 2.87Å
240P27.8Very low27.1Very low112 Ų112133.6 Ų133.673%0.72776%0.764SS**  trans-68.1123.2176.524.6-29000108.9N242P240-N242 PolarHBondContact O-N 3.41Å
241D26Very low26.7Very low161 Ų161131.6 Ų131.686%0.86176%0.762SS**  trans-60.198.8162.6-80-36.1000107.8T239T239-D241 PolarHBondContact O-N 2.87Å
242N24.2Very low26.2Very low159 Ų159133.9 Ų133.985%0.8577%0.769SS**  trans-13990.7162.7-107.515.7000106.9P240P240-N242 PolarHBondContact O-N 3.41Å
243S24Very low25.8Very low107 Ų107134.6 Ų134.675%0.74877%0.772SS**  trans-11980164.855.60000106.9
244D22.5Very low25.8Very low162 Ų162135.6 Ų135.687%0.86679%0.787SS**  trans-170.289.2160.8-89.1-28000107.8
245S27.7Very low25.7Very low122 Ų122135.9 Ų135.985%0.85379%0.789SS**  trans172.6126.9140.5570000112.1
246H21.1Very low25.5Very low164 Ų164134 Ų13476%0.75979%0.785SS**  trans-48148.2174.7-87.4-112.9000118.2
247E19.2Very low25.2Very low173 Ų173136.4 Ų136.481%0.80879%0.785SS**  trans49.1118.2136.6-68.7172.8128.300121.9
248A26.3Very low25.1Very low93 Ų93133 Ų13377%0.76978%0.776SS**  -177.4105.8119.700000112.8
249I21Very low25Very low166 Ų166134.7 Ų134.785%0.85178%0.779SS**  40.9112.2124.3-58.1176.7000120.2
250S21.5Very low25.1Very low104 Ų104138.1 Ų138.173%0.72778%0.782SS**  86.9140.7126.7-158.20000123.8
251S23.5Very low25.1Very low100 Ų100140.3 Ų140.370%0.69978%0.781SS**  trans103.594.6145.1-610000120.1
252N23.1Very low25.2Very low149 Ų149138 Ų13880%0.79778%0.783SS**  54.9120121.6-75.5-22.7000123.2
253K24.6Very low25.4Very low197 Ų197139.6 Ų139.686%0.85778%0.783SS**  trans79.8152.8130.1-82.6-167.9176.9177.30120.7
254P41.7Very low25.6Very low107 Ų107143.3 Ų143.370%0.69578%0.781SS**  trans-108.3162.2-14640.1-31.4000112.7
255L26.6Very low26Very low174 Ų174142.6 Ų142.691%0.91178%0.776SS**  trans-163130.1143.3-124.9108.6000112.6
256A24Very low26.3Very low75 Ų75140.9 Ų140.962%0.6276%0.764SS**  trans-4.9141.9153.500000121.4
257N24Very low27Very low143 Ų143137.5 Ų137.577%0.76576%0.755SS**  trans80128.2132.6-74-7.1000122.4
258N25.4Very low27.7Very low133 Ų133135 Ų13571%0.71175%0.747SS**  trans84.6101.5138.4-67.8-11000120.1
259S25.2Very low28.2Very low97 Ų97135 Ų13568%0.67874%0.737SS**  36.3103.8119.2530000117.9
260K27.4Very low28.7Very low202 Ų202134.6 Ų134.688%0.87873%0.732SS**  trans142.981.5140.5-79.1172-175.7178.80110.9
261K27.8Very low29.3Very low159 Ų159139.4 Ų139.469%0.69173%0.734SS**  trans-164.551.9155.6-113.8165.3-171.4173.50113.7K263K261-K263 PolarHBondContact O-N 2.99Å; K261-K263 VanDerWaalsContact O-N 3.07Å
262A28.6Very low30Very low111 Ų111138.9 Ų138.992%0.91773%0.73SS**THydrogen-bonded Turntrans-75.825.4166.500000113.6
263K29.6Very low30.4Very low194 Ų194138.4 Ų138.484%0.84373%0.727SS**THydrogen-bonded Turntrans-13013.9-178.8-116.4-176.8-176.3-177.80115.1K261K261-K263 PolarHBondContact O-N 2.99Å; K261-K263 VanDerWaalsContact O-N 3.07Å
264R28.3Very low31Very low185 Ų185133 Ų13370%0.69872%0.719SS**SBendtrans-118.91.3174.4-89.7-170.4179.2-172.2-0.7116.1
265L29.8Very low30.8Very low146 Ų146133.6 Ų133.676%0.76472%0.721SS**THydrogen-bonded Turntrans-93.17.9174.3-91.7149.8000114.4
266S34.6Very low31.3Very low86 Ų86132.1 Ų132.160%0.60171%0.712SS**THydrogen-bonded Turntrans-96.2-3176.479.80000114.8
267V35.4Very low31.6Very low93 Ų93133.9 Ų133.956%0.56471%0.711SS**SBendtrans-103.5-34.4-176.2-177.90000112.2
268D33.4Very low31.9Very low120 Ų120131.9 Ų131.964%0.64271%0.706SS**SBendtrans-82.3-20.5-175.9-67.6-34000114.1
269T36.2Very low32.6Very low93 Ų93138.1 Ų138.157%0.57172%0.719SS**SBendtrans-79.6-19.8176.7-38.50000112.9
270Q33.3Very low33.1Very low159 Ų159136.9 Ų136.974%0.74372%0.722SS**THydrogen-bonded Turntrans-80.7-16.6177.9-81-166-30.200113.9
271R33.2Very low33.7Very low205 Ų205132.6 Ų132.677%0.77471%0.713SS**THydrogen-bonded Turntrans-83.6-15.8176.8-91.3-178.3172.8169.5-2.4114.6
272S38.9Very low34.5Very low88 Ų88129.6 Ų129.662%0.61570%0.701SS**THydrogen-bonded Turntrans-85.3-25.5-175.4-172.40000114.1
273L31.5Very low35.3Very low140 Ų140132.6 Ų132.673%0.73369%0.693SS**SBendtrans-93.4-14-176.5-78.4161.4000114.6T275L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.39Å
274A35.5Very low36Very low83 Ų83132 Ų13269%0.68669%0.691SS**THydrogen-bonded Turntrans-78.9-8-176.100000114.3
275T37.9Very low36.7Very low120 Ų120130.8 Ų130.874%0.73669%0.693SS**THydrogen-bonded Turntrans-100.3-4.2-170.4-38.20000114.2L273L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.39Å
276I37.9Very low37.5Very low142 Ų142130 Ų13073%0.72869%0.686SS**SBendtrans-117.60.7-169.4-53.4-178.9000114.9
277L30.4Very low38.4Very low113 Ų113130.4 Ų130.459%0.59268%0.681SS**SBendtrans-133.1139.1-178.7-76.1163.8000115.4
278P30.1Very low39Very low101 Ų101131.7 Ų131.766%0.65668%0.684SS**  trans-67137-176.8-8.121.3000112.2G280P278-G280 PolarHBondContact O-N 2.98Å
279R40.1Very low39.6Very low264 Ų264131.5 Ų131.5100%0.99668%0.682SS**THydrogen-bonded Turntrans-63.512.9-169.3-96.8179.6175.4177.7-0.8117.9
280G35.9Very low40.6Very low71 Ų71129.6 Ų129.673%0.73267%0.673SS**THydrogen-bonded Turntrans-98.9-29.2-171.800000117P278P278-G280 PolarHBondContact O-N 2.98Å
281T39.4Very low41.5Very low111 Ų111125.9 Ų125.968%0.68166%0.661SS**SBendtrans-121.9-10.8-162.4400000116
282Q43.8Very low42.1Very low97 Ų97122.3 Ų122.345%0.45366%0.657SS.*Hα-helixtrans-69.7-33.5179.4-84.9-174.1-28.400114K284 Q285 E286Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.89Å; Q282-Q285 PolarHBondContact O-N 3.18Å; Q282-E286 PolarHBondContact O-N 3.23Å
283K46.3Very low43Very low173 Ų173124.8 Ų124.875%0.75266%0.662SS**Hα-helixtrans-60.5-36.7-177.1-118.2-179.2179-177.20112.9D287K283-D287 VanDerWaalsContact O-CB 3.26Å; K283-D287 WeakPolarHBondContact O-CB 3.09Å; K283-D287 VanDerWaalsContact O-CG 3.28Å; K283-D287 PolarHBondContact O-N 3.42Å
284K45.2Very low43.8Very low183 Ų183122.3 Ų122.380%0.79666%0.656SS**Hα-helixtrans-77-30.3-175.2-92.2-175.2174.7179.10114.7Q282Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.89Å
285Q41.8Very low44Very low159 Ų159128.3 Ų128.374%0.74366%0.661SS**Hα-helixtrans-86.9-38-176.8-108.5-179.4-13.800112.7Q282 L288 L289Q282-Q285 PolarHBondContact O-N 3.18Å; Q285-L288 PolarHBondContact O-N 3.49Å; Q285-L289 PolarHBondContact O-N 3.31Å
286E47.4Very low44Very low129 Ų129137.3 Ų137.360%0.60368%0.682SS**Hα-helixtrans-70.2-34.2175.2-67.4-175.2167.200111.6Q282 S290Q282-E286 PolarHBondContact O-N 3.23Å; E286-S290 WeakPolarHBondContact O-CB 3.35Å; E286-S290 PolarHBondContact O-N 3.47Å; E286-S290 PolarHBondContact O-OG 3.13Å
287D53.6Low44.3Very low95 Ų95137.1 Ų137.151%0.50868%0.679SS.*Hα-helixtrans-63.7-42.4173.5-86.3-16.2000111.8K283 L289 S290 V291K283-D287 VanDerWaalsContact O-CB 3.26Å; K283-D287 WeakPolarHBondContact O-CB 3.09Å; K283-D287 VanDerWaalsContact O-CG 3.28Å; K283-D287 PolarHBondContact O-N 3.42Å; D287-L289 PolarHBondContact O-N 3.27Å; D287-S290 WeakPolarHBondContact CA-OG 3.24Å; D287-S290 PolarHBondContact O-N 2.97Å; D287-S290 PolarHBondContact O-OG 3.42Å; D287-S290 VanDerWaalsContact O-OG 3.06Å; D287-V291 WeakPolarHBondContact O-CB 3.33Å; D287-V291 WeakPolarHBondContact O-CG2 3.48Å; D287-V291 PolarHBondContact O-N 3.27Å
288L47.1Very low45Very low119 Ų119138.3 Ų138.362%0.62368%0.684SS**Hα-helixtrans-69.8-39.6-177.3-143.4119.1000111.8Q285 L292Q285-L288 PolarHBondContact O-N 3.49Å; L288-L292 HydrophobicContact CD2-CD1 4.05Å; L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 WeakPolarHBondContact O-CD1 3.09Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 3.28Å
289L45.4Very low45.8Very low116 Ų116140.4 Ų140.461%0.60769%0.685SS**Hα-helixtrans-69.9-41.5177.3-129.9105.7000111.6Q285 D287 L292 L293Q285-L289 PolarHBondContact O-N 3.31Å; D287-L289 PolarHBondContact O-N 3.27Å; L289-L292 PolarHBondContact O-N 3.12Å; L289-L293 HydrophobicContact CD2-CD1 4.14Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 WeakPolarHBondContact O-CD1 3.34Å; L289-L293 WeakPolarHBondContact O-CG 2.93Å; L289-L293 PolarHBondContact O-N 3.47Å
290S58.5Low46.2Very low53 Ų53133.1 Ų133.137%0.37167%0.667SS.*Hα-helixtrans-68.7-37.1177.760.50000112.3E286 D287 L293 S294E286-S290 WeakPolarHBondContact O-CB 3.35Å; E286-S290 PolarHBondContact O-N 3.47Å; E286-S290 PolarHBondContact O-OG 3.13Å; D287-S290 WeakPolarHBondContact CA-OG 3.24Å; D287-S290 PolarHBondContact O-N 2.97Å; D287-S290 PolarHBondContact O-OG 3.42Å; D287-S290 VanDerWaalsContact O-OG 3.06Å; S290-L293 PolarHBondContact O-N 2.54Å; S290-S294 VanDerWaalsContact O-CB 3.29Å; S290-S294 WeakPolarHBondContact O-CB 3.21Å; S290-S294 PolarHBondContact O-N 3.05Å; S290-S294 PolarHBondContact O-OG 3.15Å
291V52.7Low46.8Very low82 Ų82137 Ų13750%0.49766%0.663SS.*Hα-helixtrans-65.6-38.4173.2169.80000111.5D287 L293D287-V291 WeakPolarHBondContact O-CB 3.33Å; D287-V291 WeakPolarHBondContact O-CG2 3.48Å; D287-V291 PolarHBondContact O-N 3.27Å; V291-L293 VanDerWaalsContact C-N 3.33Å
292L43.7Very low47.3Very low130 Ų130138.7 Ų138.768%0.68166%0.662SS**Hα-helixtrans-69.5-29.2174.8-73.2170.2000112.9L288 L289L288-L292 HydrophobicContact CD2-CD1 4.05Å; L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 WeakPolarHBondContact O-CD1 3.09Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 3.28Å; L289-L292 PolarHBondContact O-N 3.12Å
293L59.6Low47.5Very low140 Ų140141.7 Ų141.773%0.73368%0.677SS**Hα-helixtrans-88.4-18.9-178.8-71.8170.4000114.4L289 S290 V291L289-L293 HydrophobicContact CD2-CD1 4.14Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 WeakPolarHBondContact O-CD1 3.34Å; L289-L293 WeakPolarHBondContact O-CG 2.93Å; L289-L293 PolarHBondContact O-N 3.47Å; S290-L293 PolarHBondContact O-N 2.54Å; V291-L293 VanDerWaalsContact C-N 3.33Å
294S46.5Very low47.6Very low87 Ų87139.3 Ų139.361%0.60867%0.671SS**Hα-helixtrans-99.9-8.9-172.152.70000115.7S290 R296S290-S294 VanDerWaalsContact O-CB 3.29Å; S290-S294 WeakPolarHBondContact O-CB 3.21Å; S290-S294 PolarHBondContact O-N 3.05Å; S290-S294 PolarHBondContact O-OG 3.15Å; S294-R296 PolarHBondContact O-N 3.44Å
295R39.9Very low47.8Very low209 Ų209135.7 Ų135.779%0.78966%0.661SS**  trans-87.4102.7174.7-75.2-168.8178.4-156.41.8111.3
296R37.8Very low48.4Very low309 Ų309133.5 Ų133.5100%1.16665%0.653SS**  trans-520162.1-82.6-177.7178.2177.2-0.3111.4S294S294-R296 PolarHBondContact O-N 3.44Å

Retrieved 296 of 296 residues in 108.1 ms (Link to these results)

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