A0A3B3UPZ9_9TELE Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A3B3UPZ9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 305 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
1M58.6Low88.7Confident232 Ų23284.5 Ų84.5100%1.14345%0.45SS*.  0144.50-91179.4-101.100108.1
2A69.3Low89.4Confident71 Ų7180.8 Ų80.859%0.58743%0.429SS*.PPolyproline II helixtrans-60.8149.6171.500000109.9R26A2-R26 PolarHBondContact O-NH2 2.96Å
3P80.9Confident89.9Confident118 Ų11874.5 Ų74.577%0.76640%0.396SS*.PPolyproline II helixtrans-61.3159173.123.6-30.9000111.5R26P3-R26 VanDerWaalsContact C-NH2 3.3Å; P3-R26 PolarHBondContact O-NH2 3.03Å
4L90.2Very high90.3Very high51 Ų5176 Ų7627%0.26740%0.398SS..PPolyproline II helixtrans-71.8132.5171.5-84.4136.6000109.3L6 Y9 R26 Y30L4-L6 HydrophobicContact CB-CD2 4.03Å; L4-L6 HydrophobicContact CB-CG 4.24Å; L4-L6 HydrophobicContact CD2-CD2 4.32Å; L4-L6 PolarHBondContact O-N 3.22Å; L4-Y9 HydrophobicContact CD2-CD2 4.41Å; L4-Y9 HydrophobicContact CD2-CE2 3.52Å; L4-R26 HydrophobicContact CD2-CB 3.97Å; L4-Y30 HydrophobicContact CD1-CD1 4.31Å; L4-Y30 HydrophobicContact CD1-CD2 3.92Å; L4-Y30 HydrophobicContact CD1-CG 3.71Å
5D94.4Very high90.7Very high75 Ų7578 Ų7840%0.40140%0.404SS..  trans-9777.5176-173.5-9.4000109.3D7 R8 Y9D5-D7 VanDerWaalsContact C-N 3.29Å; D5-D7 PolarHBondContact O-N 3.26Å; D5-R8 HydrophobicContact CB-CB 4.13Å; D5-R8 PolarHBondContact O-N 2.94Å; D5-R8 WeakPolarHBondContact OD1-CB 3.06Å; D5-R8 PolarHBondContact OD1-N 3.16Å; D5-R8 VanDerWaalsContact OD1-N 3.1Å; D5-R8 WeakPolarHBondContact OD2-CB 3.37Å; D5-Y9 VanDerWaalsContact O-CD1 3.23Å; D5-Y9 WeakPolarHBondContact O-CD1 3.49Å; D5-Y9 PolarHBondContact O-N 3.24Å
6L96.6Very high91Very high31 Ų3174.3 Ų74.316%0.16239%0.387CS..Hα-helixtrans-67.5-29.8-174.2-60.6179.5000112.4L4 Y9 V10 L27 Y30 A101 K102L4-L6 HydrophobicContact CB-CD2 4.03Å; L4-L6 HydrophobicContact CB-CG 4.24Å; L4-L6 HydrophobicContact CD2-CD2 4.32Å; L4-L6 PolarHBondContact O-N 3.22Å; L6-Y9 HydrophobicContact CD2-CD2 4.34Å; L6-Y9 PolarHBondContact O-N 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 2.64Å; L6-L27 HydrophobicContact CD2-CD1 4.42Å; L6-Y30 HydrophobicContact CD1-CE1 4.32Å; L6-A101 HydrophobicContact CD1-CB 4.24Å; L6-A101 WeakPolarHBondContact CD1-O 3.3Å; L6-A101 HydrophobicContact CD2-CB 3.77Å; L6-K102 HydrophobicContact CB-CB 4.23Å; L6-K102 HydrophobicContact CB-CD 4.49Å; L6-K102 HydrophobicContact CB-CG 4.32Å; L6-K102 HydrophobicContact CD1-CB 4.38Å
7D96.8Very high91.2Very high108 Ų10877.5 Ų77.558%0.57840%0.397SS*.Hα-helixtrans-60.3-50.1173.3-73.6-53000110.9D5 Y9 V10 E11 K102D5-D7 VanDerWaalsContact C-N 3.29Å; D5-D7 PolarHBondContact O-N 3.26Å; D7-Y9 VanDerWaalsContact C-N 3.34Å; D7-Y9 PolarHBondContact O-N 2.69Å; D7-V10 PolarHBondContact O-N 2.67Å; D7-E11 WeakPolarHBondContact O-CB 3.45Å; D7-E11 PolarHBondContact O-N 2.62Å; D7-K102 WeakPolarHBondContact OD1-CE 3.45Å; D7-K102 IonicContact OD1-NZ 2.56Å; D7-K102 PolarHBondContact OD1-NZ 3.12Å
8R97Very high91.3Very high121 Ų12178.6 Ų78.646%0.45740%0.396SS..Hα-helixtrans-62-40.9176.3177.7180164-165.3-10.3112.2D5 E11 I12 D23D5-R8 HydrophobicContact CB-CB 4.13Å; D5-R8 PolarHBondContact O-N 2.94Å; D5-R8 WeakPolarHBondContact OD1-CB 3.06Å; D5-R8 PolarHBondContact OD1-N 3.16Å; D5-R8 VanDerWaalsContact OD1-N 3.1Å; D5-R8 WeakPolarHBondContact OD2-CB 3.37Å; R8-E11 PolarHBondContact O-N 3.24Å; R8-I12 HydrophobicContact CG-CD1 3.79Å; R8-I12 HydrophobicContact CG-CG1 4.38Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.33Å; R8-I12 PolarHBondContact O-N 3.03Å; R8-D23 IonicContact NH2-OD2 3.93Å
9Y97.6Very high91.6Very high3 Ų374.5 Ų74.51%0.01238%0.375CS..Hα-helixtrans-64.8-45.1-178.3-70.45.9000111.7L4 D5 L6 D7 E11 I12 A13 L19 D23 L27L4-Y9 HydrophobicContact CD2-CD2 4.41Å; L4-Y9 HydrophobicContact CD2-CE2 3.52Å; D5-Y9 VanDerWaalsContact O-CD1 3.23Å; D5-Y9 WeakPolarHBondContact O-CD1 3.49Å; D5-Y9 PolarHBondContact O-N 3.24Å; L6-Y9 HydrophobicContact CD2-CD2 4.34Å; L6-Y9 PolarHBondContact O-N 3.31Å; D7-Y9 VanDerWaalsContact C-N 3.34Å; D7-Y9 PolarHBondContact O-N 2.69Å; Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 2.92Å; Y9-I12 PolarHBondContact O-N 3.1Å; Y9-A13 VanDerWaalsContact O-CB 3.3Å; Y9-A13 WeakPolarHBondContact O-CB 3.25Å; Y9-A13 PolarHBondContact O-N 2.58Å; Y9-L19 HydrophobicContact CD1-CD1 4.3Å; Y9-L19 HydrophobicContact CD1-CD2 3.99Å; Y9-L19 HydrophobicContact CD2-CD1 3.83Å; Y9-L19 HydrophobicContact CE2-CD1 4.27Å; Y9-L19 HydrophobicContact CG-CD1 3.86Å; Y9-L19 HydrophobicContact CG-CD2 4.1Å; Y9-D23 HydrophobicContact CE1-CB 3.77Å; Y9-D23 HydrophobicContact CE2-CB 4.4Å; Y9-D23 WeakPolarHBondContact OH-CA 3.36Å; Y9-D23 WeakPolarHBondContact OH-CB 3.39Å; Y9-D23 PolarHBondContact OH-OD1 3.15Å; Y9-L27 HydrophobicContact CD2-CB 4.17Å; Y9-L27 HydrophobicContact CD2-CD1 4.3Å; Y9-L27 HydrophobicContact CD2-CD2 4.36Å; Y9-L27 HydrophobicContact CE2-CB 4.05Å
10V97.5Very high91.9Very high15 Ų1574.1 Ų74.19%0.09138%0.378CS..Hα-helixtrans-59.9-45.2174.7170.10000110.5L6 D7 I12 A13 K14 Y95 A98 L99 K102L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 2.64Å; D7-V10 PolarHBondContact O-N 2.67Å; V10-I12 PolarHBondContact O-N 2.81Å; V10-A13 PolarHBondContact O-N 3.02Å; V10-K14 VanDerWaalsContact O-CB 3.22Å; V10-K14 WeakPolarHBondContact O-CB 3.23Å; V10-K14 PolarHBondContact O-N 2.87Å; V10-Y95 HydrophobicContact CG1-CE2 4.24Å; V10-A98 HydrophobicContact CG2-CB 3.75Å; V10-L99 HydrophobicContact CG1-CD2 4.26Å; V10-L99 HydrophobicContact CG2-CD2 4.43Å; V10-K102 HydrophobicContact CG2-CB 4.4Å; V10-K102 HydrophobicContact CG2-CD 3.87Å
11E97.1Very high92.2Very high105 Ų10572.8 Ų72.849%0.49137%0.37SS..Hα-helixtrans-63.8-41.6-179.1-176.959.6-166.100112.8D7 R8 Y9 H15D7-E11 WeakPolarHBondContact O-CB 3.45Å; D7-E11 PolarHBondContact O-N 2.62Å; R8-E11 PolarHBondContact O-N 3.24Å; Y9-E11 VanDerWaalsContact C-N 3.33Å; Y9-E11 PolarHBondContact O-N 2.92Å; E11-H15 PolarHBondContact O-ND1 2.98Å; E11-H15 IonicContact OE1-CE1 3.11Å; E11-H15 PolarHBondContact OE1-CE1 2.84Å; E11-H15 IonicContact OE1-ND1 3.32Å
12I96.6Very high94Very high39 Ų3967.2 Ų67.220%0.235%0.345CS..Hα-helixtrans-63.9-52.5174.8-68.4168.9000110.1R8 Y9 V10 K14 H15 K17 L19R8-I12 HydrophobicContact CG-CD1 3.79Å; R8-I12 HydrophobicContact CG-CG1 4.38Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.33Å; R8-I12 PolarHBondContact O-N 3.03Å; Y9-I12 PolarHBondContact O-N 3.1Å; V10-I12 PolarHBondContact O-N 2.81Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.02Å; I12-H15 PolarHBondContact O-N 2.87Å; I12-H15 VanDerWaalsContact O-N 3.13Å; I12-K17 HydrophobicContact CG2-CB 3.68Å; I12-L19 HydrophobicContact CB-CD2 4.02Å; I12-L19 HydrophobicContact CD1-CD2 4.09Å; I12-L19 HydrophobicContact CG2-CD2 3.94Å
13A96.3Very high95.3Very high0 Ų065 Ų650%032%0.324CS..Hα-helixtrans-64.2-36.5-173.600000112.4Y9 V10 H15 C16 K17 F58 T94 Y95Y9-A13 VanDerWaalsContact O-CB 3.3Å; Y9-A13 WeakPolarHBondContact O-CB 3.25Å; Y9-A13 PolarHBondContact O-N 2.58Å; V10-A13 PolarHBondContact O-N 3.02Å; A13-H15 PolarHBondContact O-N 2.79Å; A13-H15 VanDerWaalsContact O-N 3.1Å; A13-C16 PolarHBondContact O-N 3.13Å; A13-C16 VanDerWaalsContact O-N 3.11Å; A13-K17 WeakPolarHBondContact CA-O 3.1Å; A13-F58 VanDerWaalsContact O-CE2 3.29Å; A13-F58 WeakPolarHBondContact O-CE2 3.39Å; A13-F58 WeakPolarHBondContact O-CZ 3.33Å; A13-T94 HydrophobicContact CB-CG2 4.31Å; A13-Y95 HydrophobicContact CB-CD2 3.89Å; A13-Y95 HydrophobicContact CB-CG 4.3Å
14K95.4Very high96.2Very high95 Ų9559.4 Ų59.441%0.41329%0.287SS..Hα-helixtrans-58.3-23.2176.3-175.1176.3179.2-178.70113.7V10 I12 Y95V10-K14 VanDerWaalsContact O-CB 3.22Å; V10-K14 WeakPolarHBondContact O-CB 3.23Å; V10-K14 PolarHBondContact O-N 2.87Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.02Å; K14-Y95 HydrophobicContact CB-CD2 4.49Å; K14-Y95 HydrophobicContact CB-CE2 3.87Å; K14-Y95 HydrophobicContact CG-CE2 4.42Å
15H95.6Very high96.6Very high106 Ų10660.4 Ų60.449%0.49129%0.29SS..THydrogen-bonded Turntrans-96.822.5179.9-68.793.9000113.8E11 I12 A13 K17E11-H15 PolarHBondContact O-ND1 2.98Å; E11-H15 IonicContact OE1-CE1 3.11Å; E11-H15 PolarHBondContact OE1-CE1 2.84Å; E11-H15 IonicContact OE1-ND1 3.32Å; I12-H15 PolarHBondContact O-N 2.87Å; I12-H15 VanDerWaalsContact O-N 3.13Å; A13-H15 PolarHBondContact O-N 2.79Å; A13-H15 VanDerWaalsContact O-N 3.1Å; H15-K17 VanDerWaalsContact C-N 3.31Å; H15-K17 PolarHBondContact O-N 3.49Å
16C96.1Very high96.7Very high19 Ų1960.1 Ų60.113%0.12828%0.283CS..THydrogen-bonded Turntrans56.644.6-176.8-158.70000111.8A13 F58 Y88A13-C16 PolarHBondContact O-N 3.13Å; A13-C16 VanDerWaalsContact O-N 3.11Å; C16-F58 HydrophobicContact CB-CD1 3.53Å; C16-F58 HydrophobicContact CB-CE1 3.42Å; C16-F58 VanDerWaalsContact CB-CE1 3.42Å; C16-F58 HydrophobicContact CB-CG 4.26Å; C16-F58 HydrophobicContact CB-CZ 4.06Å; C16-F58 WeakPolarHBondContact SG-CD1 3.34Å; C16-Y88 WeakPolarHBondContact SG-CD1 3.36Å
17K94.9Very high96.8Very high128 Ų12858.7 Ų58.756%0.55728%0.275SS*.  trans-122.1140.3175.1-62.1-178.7-179.1175.50109.5I12 A13 H15I12-K17 HydrophobicContact CG2-CB 3.68Å; A13-K17 WeakPolarHBondContact CA-O 3.1Å; H15-K17 VanDerWaalsContact C-N 3.31Å; H15-K17 PolarHBondContact O-N 3.49Å
18Y92.9Very high96.9Very high98 Ų9853.6 Ų53.638%0.38425%0.248SC..PPolyproline II helixtrans-86.4153.1171.958-89.9000111.2L90 E91 K132 Y133Y18-L90 HydrophobicContact CD1-CD2 4.27Å; Y18-L90 HydrophobicContact CD2-CD2 4.4Å; Y18-L90 HydrophobicContact CG-CD2 3.83Å; Y18-E91 WeakPolarHBondContact CD1-OE1 3.42Å; Y18-K132 HydrophobicContact CD1-CD 3.93Å; Y18-K132 HydrophobicContact CD1-CG 4.47Å; Y18-K132 HydrophobicContact CE1-CB 4.08Å; Y18-K132 HydrophobicContact CE1-CD 3.99Å; Y18-K132 HydrophobicContact CE1-CG 4.07Å; Y18-K132 HydrophobicContact CE2-CB 4.44Å; Y18-K132 PolarHBondContact OH-O 3.24Å; Y18-Y133 AromaticContact CD2-CE1 3.91Å; Y18-Y133 HydrophobicContact CD2-CE1 3.91Å; Y18-Y133 HydrophobicContact CD2-CE2 4.2Å; Y18-Y133 AromaticContact CD2-CZ 3.64Å; Y18-Y133 HydrophobicContact CE2-CE1 4.25Å
19L97.1Very high97Very high0 Ų049.9 Ų49.90%024%0.237CC..PPolyproline II helixtrans-74.5158.6-179.7-60.8176.1000111.1Y9 I12 D23 L24 L27 T94 Y133Y9-L19 HydrophobicContact CD1-CD1 4.3Å; Y9-L19 HydrophobicContact CD1-CD2 3.99Å; Y9-L19 HydrophobicContact CD2-CD1 3.83Å; Y9-L19 HydrophobicContact CE2-CD1 4.27Å; Y9-L19 HydrophobicContact CG-CD1 3.86Å; Y9-L19 HydrophobicContact CG-CD2 4.1Å; I12-L19 HydrophobicContact CB-CD2 4.02Å; I12-L19 HydrophobicContact CD1-CD2 4.09Å; I12-L19 HydrophobicContact CG2-CD2 3.94Å; L19-D23 HydrophobicContact CB-CB 4.11Å; L19-L24 HydrophobicContact CB-CB 4.33Å; L19-L27 HydrophobicContact CD1-CD2 3.77Å; L19-T94 HydrophobicContact CD1-CG2 3.78Å; L19-T94 HydrophobicContact CG-CG2 3.78Å; L19-Y133 WeakPolarHBondContact O-CE1 3.29Å; L19-Y133 PolarHBondContact O-OH 2.86Å
20P97Very high97Very high67 Ų6753.6 Ų53.644%0.43525%0.252SS..PPolyproline II helixtrans-53.3145.7162.3-24.834.9000111.3N22 D23 L24P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.32Å; P20-N22 VanDerWaalsContact O-N 3.14Å; P20-D23 HydrophobicContact CB-CB 4.35Å; P20-D23 WeakPolarHBondContact O-CA 3.49Å; P20-D23 WeakPolarHBondContact O-CB 3.18Å; P20-D23 PolarHBondContact O-N 3.42Å; P20-L24 PolarHBondContact O-N 2.92Å
21E97.6Very high97.1Very high46 Ų4652.9 Ų52.922%0.21525%0.247CC..Hα-helixtrans-53.5-42.5-172.3-173.4177.8133.900113.1D23 L24 K25 Y133 N135 N137 Y141E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 3.22Å; E21-L24 PolarHBondContact O-N 3.1Å; E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 3.21Å; E21-Y133 HydrophobicContact CB-CD1 3.79Å; E21-Y133 HydrophobicContact CB-CE1 3.9Å; E21-Y133 HydrophobicContact CG-CD1 4.25Å; E21-N135 PolarHBondContact OE2-ND2 3.33Å; E21-N137 WeakPolarHBondContact OE1-CB 3.45Å; E21-N137 PolarHBondContact OE1-ND2 2.87Å; E21-Y141 HydrophobicContact CG-CE2 4.12Å
22N96.9Very high97.2Very high116 Ų11648.2 Ų48.262%0.6223%0.227SC*.Hα-helixtrans-66.1-35.1177.4-74-32000112.9P20 R26P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.32Å; P20-N22 VanDerWaalsContact O-N 3.14Å; N22-R26 VanDerWaalsContact O-CG 3.24Å; N22-R26 WeakPolarHBondContact O-CG 3.34Å; N22-R26 PolarHBondContact O-N 3.01Å; N22-R26 VanDerWaalsContact O-N 3.09Å
23D97.9Very high97.2Very high24 Ų2451.4 Ų51.413%0.12824%0.244CC..Hα-helixtrans-72.4-41178.4-72.8-14.6000110.3R8 Y9 L19 P20 E21 R26 L27R8-D23 IonicContact NH2-OD2 3.93Å; Y9-D23 HydrophobicContact CE1-CB 3.77Å; Y9-D23 HydrophobicContact CE2-CB 4.4Å; Y9-D23 WeakPolarHBondContact OH-CA 3.36Å; Y9-D23 WeakPolarHBondContact OH-CB 3.39Å; Y9-D23 PolarHBondContact OH-OD1 3.15Å; L19-D23 HydrophobicContact CB-CB 4.11Å; P20-D23 HydrophobicContact CB-CB 4.35Å; P20-D23 WeakPolarHBondContact O-CA 3.49Å; P20-D23 WeakPolarHBondContact O-CB 3.18Å; P20-D23 PolarHBondContact O-N 3.42Å; E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 3.22Å; D23-R26 PolarHBondContact O-N 2.87Å; D23-R26 IonicContact OD1-NH1 3.97Å; D23-L27 WeakPolarHBondContact O-CB 3.5Å; D23-L27 PolarHBondContact O-N 2.82Å
24L98.5Very high97.3Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-58.9-48.6171176.964.8000111L19 P20 E21 R26 L27 C28 L90 T94 Y133 A138L19-L24 HydrophobicContact CB-CB 4.33Å; P20-L24 PolarHBondContact O-N 2.92Å; E21-L24 PolarHBondContact O-N 3.1Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 2.95Å; L24-L27 WeakPolarHBondContact O-CB 3.35Å; L24-L27 PolarHBondContact O-N 3.44Å; L24-L27 VanDerWaalsContact O-N 3.15Å; L24-C28 PolarHBondContact O-N 3.48Å; L24-C28 PolarHBondContact O-SG 3.45Å; L24-C28 VanDerWaalsContact O-SG 3.37Å; L24-L90 HydrophobicContact CD2-CD1 4.17Å; L24-T94 HydrophobicContact CD1-CG2 4.48Å; L24-Y133 HydrophobicContact CD2-CE2 4.07Å; L24-Y133 WeakPolarHBondContact CD2-OH 3.03Å; L24-A138 HydrophobicContact CD2-CB 3.62Å
25K98.4Very high97.5Very high73 Ų7348.7 Ų48.732%0.31723%0.234SC..Hα-helixtrans-54.8-48.4177.9-173.9-172.8179.6-61.60111.4E21 L27 C28 D29 Y141E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 3.21Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.96Å; K25-C28 PolarHBondContact O-N 3.12Å; K25-D29 IonicContact NZ-OD2 2.94Å; K25-D29 PolarHBondContact NZ-OD2 3.36Å; K25-D29 PolarHBondContact O-N 3.28Å; K25-Y141 HydrophobicContact CB-CD2 3.74Å; K25-Y141 HydrophobicContact CB-CE2 3.58Å; K25-Y141 HydrophobicContact CB-CG 4.31Å; K25-Y141 HydrophobicContact CD-CE1 4.04Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.11Å; K25-Y141 HydrophobicContact CG-CD2 4.06Å; K25-Y141 HydrophobicContact CG-CE1 3.89Å; K25-Y141 HydrophobicContact CG-CE2 3.83Å; K25-Y141 HydrophobicContact CG-CG 4.21Å
26R98.1Very high97.5Very high69 Ų6948.8 Ų48.826%0.2624%0.237SC..Hα-helixtrans-64.2-38.8179.8-71.2172.167.9-151.7-1.4111.9A2 P3 L4 N22 D23 L24 Y30A2-R26 PolarHBondContact O-NH2 2.96Å; P3-R26 VanDerWaalsContact C-NH2 3.3Å; P3-R26 PolarHBondContact O-NH2 3.03Å; L4-R26 HydrophobicContact CD2-CB 3.97Å; N22-R26 VanDerWaalsContact O-CG 3.24Å; N22-R26 WeakPolarHBondContact O-CG 3.34Å; N22-R26 PolarHBondContact O-N 3.01Å; N22-R26 VanDerWaalsContact O-N 3.09Å; D23-R26 PolarHBondContact O-N 2.87Å; D23-R26 IonicContact OD1-NH1 3.97Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 2.95Å; R26-Y30 WeakPolarHBondContact O-CB 3.49Å; R26-Y30 PolarHBondContact O-N 2.88Å; R26-Y30 VanDerWaalsContact O-N 3.08Å
27L98.6Very high97.5Very high0 Ų055.7 Ų55.70%027%0.268CS..Hα-helixtrans-62.9-48.5174.3177.161.1000111.1L6 Y9 L19 D23 L24 K25 Y30 V31 T94 L97 A98 A101L6-L27 HydrophobicContact CD2-CD1 4.42Å; Y9-L27 HydrophobicContact CD2-CB 4.17Å; Y9-L27 HydrophobicContact CD2-CD1 4.3Å; Y9-L27 HydrophobicContact CD2-CD2 4.36Å; Y9-L27 HydrophobicContact CE2-CB 4.05Å; L19-L27 HydrophobicContact CD1-CD2 3.77Å; D23-L27 WeakPolarHBondContact O-CB 3.5Å; D23-L27 PolarHBondContact O-N 2.82Å; L24-L27 WeakPolarHBondContact O-CB 3.35Å; L24-L27 PolarHBondContact O-N 3.44Å; L24-L27 VanDerWaalsContact O-N 3.15Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.96Å; L27-Y30 PolarHBondContact O-N 2.9Å; L27-V31 HydrophobicContact CD1-CG2 4.05Å; L27-V31 WeakPolarHBondContact O-CG2 3.27Å; L27-V31 PolarHBondContact O-N 2.73Å; L27-T94 HydrophobicContact CD2-CG2 4.29Å; L27-L97 HydrophobicContact CD2-CB 3.96Å; L27-L97 HydrophobicContact CG-CB 4.19Å; L27-A98 HydrophobicContact CD2-CB 4.29Å; L27-A101 HydrophobicContact CD1-CB 3.57Å
28C98.7Very high97.7Very high1 Ų150.8 Ų50.81%0.00725%0.247CC..Hα-helixtrans-60-47.6178.2-69.80000112L24 K25 Y30 V31 C32 V145L24-C28 PolarHBondContact O-N 3.48Å; L24-C28 PolarHBondContact O-SG 3.45Å; L24-C28 VanDerWaalsContact O-SG 3.37Å; K25-C28 PolarHBondContact O-N 3.12Å; C28-Y30 VanDerWaalsContact C-N 3.34Å; C28-Y30 PolarHBondContact O-N 2.85Å; C28-V31 PolarHBondContact O-N 3.16Å; C28-C32 PolarHBondContact O-N 2.88Å; C28-C32 PolarHBondContact O-SG 3.15Å; C28-C32 VanDerWaalsContact O-SG 3.33Å; C28-V145 HydrophobicContact CB-CG2 3.58Å
29D98.4Very high97.9Very high44 Ų4448.2 Ų48.224%0.23524%0.243CC..Hα-helixtrans-60.5-43.9178.4-74.9-34.4000111.2K25 C32 D33 K144K25-D29 IonicContact NZ-OD2 2.94Å; K25-D29 PolarHBondContact NZ-OD2 3.36Å; K25-D29 PolarHBondContact O-N 3.28Å; D29-C32 WeakPolarHBondContact O-CB 3.5Å; D29-C32 PolarHBondContact O-N 3.11Å; D29-D33 PolarHBondContact O-N 2.89Å; D29-D33 VanDerWaalsContact O-N 3.13Å; D29-K144 IonicContact OD1-NZ 2.93Å; D29-K144 PolarHBondContact OD1-NZ 3.36Å
30Y98.5Very high98Very high80 Ų8049 Ų4931%0.31425%0.247SC..Hα-helixtrans-64.7-40.7177.1-178.5-109.2000113.1L4 L6 R26 L27 C28 D33 L34 A101L4-Y30 HydrophobicContact CD1-CD1 4.31Å; L4-Y30 HydrophobicContact CD1-CD2 3.92Å; L4-Y30 HydrophobicContact CD1-CG 3.71Å; L6-Y30 HydrophobicContact CD1-CE1 4.32Å; R26-Y30 WeakPolarHBondContact O-CB 3.49Å; R26-Y30 PolarHBondContact O-N 2.88Å; R26-Y30 VanDerWaalsContact O-N 3.08Å; L27-Y30 PolarHBondContact O-N 2.9Å; C28-Y30 VanDerWaalsContact C-N 3.34Å; C28-Y30 PolarHBondContact O-N 2.85Å; Y30-D33 PolarHBondContact O-N 3.2Å; Y30-L34 HydrophobicContact CD1-CD1 4.08Å; Y30-L34 HydrophobicContact CE1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.25Å; Y30-L34 PolarHBondContact O-N 3.21Å; Y30-L34 VanDerWaalsContact O-N 3.11Å; Y30-A101 HydrophobicContact CD1-CB 3.75Å; Y30-A101 HydrophobicContact CE1-CB 3.87Å
31V98.6Very high98Very high0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-69.5-34.1176.4177.10000111.4L27 C28 D33 L34 L35 L97 K100 A101 V145L27-V31 HydrophobicContact CD1-CG2 4.05Å; L27-V31 WeakPolarHBondContact O-CG2 3.27Å; L27-V31 PolarHBondContact O-N 2.73Å; C28-V31 PolarHBondContact O-N 3.16Å; V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 2.77Å; V31-L34 PolarHBondContact O-N 3.27Å; V31-L35 HydrophobicContact CG1-CD1 3.75Å; V31-L35 HydrophobicContact CG1-CG 3.94Å; V31-L35 WeakPolarHBondContact O-CB 3.01Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.48Å; V31-L97 HydrophobicContact CB-CD2 4.4Å; V31-L97 HydrophobicContact CG1-CD2 3.85Å; V31-L97 HydrophobicContact CG2-CB 4.36Å; V31-L97 HydrophobicContact CG2-CD2 4.42Å; V31-K100 HydrophobicContact CG1-CG 4.07Å; V31-A101 HydrophobicContact CG2-CB 3.9Å; V31-V145 HydrophobicContact CG1-CG1 4.16Å
32C98.6Very high98.1Very high8 Ų845.5 Ų45.55%0.05423%0.225CC..Hα-helixtrans-58-43170.6-74.20000111.5C28 D29 L34 L35 L36 M148C28-C32 PolarHBondContact O-N 2.88Å; C28-C32 PolarHBondContact O-SG 3.15Å; C28-C32 VanDerWaalsContact O-SG 3.33Å; D29-C32 WeakPolarHBondContact O-CB 3.5Å; D29-C32 PolarHBondContact O-N 3.11Å; C32-L34 VanDerWaalsContact C-N 3.34Å; C32-L35 PolarHBondContact O-N 3.43Å; C32-L36 WeakPolarHBondContact O-CB 3.3Å; C32-L36 PolarHBondContact O-N 2.68Å; C32-M148 HydrophobicContact CB-CG 4.41Å
33D97.8Very high98.2Very high106 Ų10644.3 Ų44.357%0.56722%0.224SC*.Hα-helixtrans-63.3-40.6177.5-64-21.7000111.4D29 Y30 V31 L36D29-D33 PolarHBondContact O-N 2.89Å; D29-D33 VanDerWaalsContact O-N 3.13Å; Y30-D33 PolarHBondContact O-N 3.2Å; V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 2.77Å; D33-L36 PolarHBondContact O-N 3.39Å
34L98.2Very high98.2Very high37 Ų3744.1 Ų44.119%0.19422%0.224CC..Hα-helixtrans-64-48.4174.5-68.4173.5000112Y30 V31 C32 L36 E37 P104Y30-L34 HydrophobicContact CD1-CD1 4.08Å; Y30-L34 HydrophobicContact CE1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.25Å; Y30-L34 PolarHBondContact O-N 3.21Å; Y30-L34 VanDerWaalsContact O-N 3.11Å; V31-L34 PolarHBondContact O-N 3.27Å; C32-L34 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.24Å; L34-E37 PolarHBondContact O-N 2.99Å; L34-P104 HydrophobicContact CD1-CB 4.31Å; L34-P104 HydrophobicContact CD2-CB 4.43Å
35L98.3Very high98.2Very high0 Ų047.1 Ų47.10%025%0.248CC..Hα-helixtrans-67.1-26.2-178.5-70.6173.8000112V31 C32 E37 E38 V145 M148 L149 R181V31-L35 HydrophobicContact CG1-CD1 3.75Å; V31-L35 HydrophobicContact CG1-CG 3.94Å; V31-L35 WeakPolarHBondContact O-CB 3.01Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.48Å; C32-L35 PolarHBondContact O-N 3.43Å; L35-E37 PolarHBondContact O-N 2.98Å; L35-E38 WeakPolarHBondContact CD2-OE2 3.27Å; L35-E38 PolarHBondContact O-N 3.41Å; L35-E38 VanDerWaalsContact O-N 3.13Å; L35-V145 HydrophobicContact CD1-CG1 3.81Å; L35-M148 HydrophobicContact CB-CB 3.76Å; L35-M148 HydrophobicContact CD1-CB 3.95Å; L35-L149 HydrophobicContact CD1-CD2 4.02Å; L35-R181 PolarHBondContact O-NH2 3.04Å
36L96.6Very high98.2Very high109 Ų10945.2 Ų45.257%0.57124%0.243SC*.Hα-helixtrans-60.1-32.9175.5-177.963.5000112.3C32 D33 L34 E38 M148C32-L36 WeakPolarHBondContact O-CB 3.3Å; C32-L36 PolarHBondContact O-N 2.68Å; D33-L36 PolarHBondContact O-N 3.39Å; L34-L36 PolarHBondContact O-N 3.24Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-M148 VanDerWaalsContact CA-CE 3.49Å; L36-M148 HydrophobicContact CB-CE 3.58Å; L36-M148 HydrophobicContact CD1-CE 3.49Å; L36-M148 VanDerWaalsContact CD1-CE 3.49Å; L36-M148 HydrophobicContact CG-CE 4.12Å
37E96.6Very high98.2Very high164 Ų16445.9 Ų45.977%0.76626%0.256SS*.THydrogen-bonded Turntrans-83.3-8.9179.4-59-63.3143.600112.9L34 L35L34-E37 PolarHBondContact O-N 2.99Å; L35-E37 PolarHBondContact O-N 2.98Å
38E97.9Very high98.2Very high24 Ų2446 Ų4611%0.11226%0.257CS..SBendtrans-85.6142.1-179-64-163155.600113L35 L36 K100 T150 R181L35-E38 WeakPolarHBondContact CD2-OE2 3.27Å; L35-E38 PolarHBondContact O-N 3.41Å; L35-E38 VanDerWaalsContact O-N 3.13Å; L36-E38 VanDerWaalsContact C-N 3.33Å; E38-K100 WeakPolarHBondContact OE1-CE 3.35Å; E38-K100 IonicContact OE1-NZ 2.61Å; E38-K100 PolarHBondContact OE1-NZ 3.21Å; E38-K100 IonicContact OE2-NZ 3.73Å; E38-T150 HydrophobicContact CB-CG2 3.65Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.48Å; E38-R181 VanDerWaalsContact O-CZ 3.32Å; E38-R181 PolarHBondContact O-NH1 3Å; E38-R181 PolarHBondContact O-NH2 3.23Å
39S97.7Very high98.2Very high44 Ų4446.1 Ų46.131%0.30826%0.258SS..  trans-71.5150.5176.2168.80000111V41 T150 R181S39-V41 WeakPolarHBondContact CB-O 3.5Å; S39-V41 PolarHBondContact O-N 2.85Å; S39-V41 PolarHBondContact OG-N 2.95Å; S39-V41 VanDerWaalsContact OG-N 3.15Å; S39-V41 PolarHBondContact OG-O 3.45Å; S39-T150 WeakPolarHBondContact O-CG2 3.17Å; S39-R181 PolarHBondContact O-NH1 2.97Å
40N98.5Very high98.2Very high16 Ų1644 Ų449%0.08625%0.247CC..SBendtrans-57.3-31.8170.9-78.7-27.5000112.5V151 A152 I176 R177 I179 R181N40-V151 HydrophobicContact CB-CG2 4.46Å; N40-V151 PolarHBondContact O-N 3.23Å; N40-V151 VanDerWaalsContact O-N 3.16Å; N40-A152 PolarHBondContact O-N 2.67Å; N40-I176 WeakPolarHBondContact CB-O 3.4Å; N40-R177 PolarHBondContact ND2-O 2.83Å; N40-I179 PolarHBondContact ND2-O 2.87Å; N40-R181 VanDerWaalsContact CA-NH1 3.31Å; N40-R181 WeakPolarHBondContact OD1-CB 3.33Å; N40-R181 WeakPolarHBondContact OD1-CD 3.47Å; N40-R181 WeakPolarHBondContact OD1-CG 3.43Å; N40-R181 PolarHBondContact OD1-NH1 2.8Å
41V98.7Very high98.3Very high3 Ų340.2 Ų40.22%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-112.594.3169-1750000106.8S39 A152 L154 I176 R177S39-V41 WeakPolarHBondContact CB-O 3.5Å; S39-V41 PolarHBondContact O-N 2.85Å; S39-V41 PolarHBondContact OG-N 2.95Å; S39-V41 VanDerWaalsContact OG-N 3.15Å; S39-V41 PolarHBondContact OG-O 3.45Å; V41-A152 CarbonylContact C-O 3.31Å; V41-A152 WeakPolarHBondContact CA-O 3.21Å; V41-A152 HydrophobicContact CG2-CB 4.36Å; V41-L154 HydrophobicContact CG1-CB 3.74Å; V41-I176 HydrophobicContact CG2-CB 3.65Å; V41-I176 HydrophobicContact CG2-CG2 3.52Å; V41-R177 HydrophobicContact CB-CG 4Å; V41-R177 HydrophobicContact CG2-CG 3.71Å
42Q98.6Very high98.3Very high37 Ų3740.2 Ų40.217%0.17323%0.232CC..EExtended strand (participates in β ladder)trans-77.5122.4-174.2-173.762.39.400110.6T108 T150 A152 A153 L154Q42-T108 HydrophobicContact CB-CG2 4.07Å; Q42-T108 HydrophobicContact CG-CG2 3.98Å; Q42-T150 HydrophobicContact CB-CG2 4.38Å; Q42-A152 PolarHBondContact N-O 2.96Å; Q42-A153 CarbonylContact O-C 3.5Å; Q42-A153 VanDerWaalsContact O-CA 3.23Å; Q42-A153 WeakPolarHBondContact O-CA 3.3Å; Q42-L154 PolarHBondContact O-N 3.15Å
43P98.6Very high98.3Very high92 Ų9239.9 Ų39.960%0.59723%0.229SC*.EExtended strand (participates in β ladder)trans-69.6136.9174.729-33.7000110.5
44V98.6Very high98.3Very high20 Ų2035 Ų3512%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-135.9139.3-179.9178.30000109.3V48 V77 A153 L154 I155 D156V44-V48 HydrophobicContact CG1-CB 4.23Å; V44-V48 HydrophobicContact CG1-CG1 4.34Å; V44-V48 HydrophobicContact CG1-CG2 3.89Å; V44-V77 HydrophobicContact CB-CG2 4.43Å; V44-V77 HydrophobicContact CG1-CG2 4Å; V44-V77 HydrophobicContact CG2-CG2 4.01Å; V44-A153 HydrophobicContact CG2-CB 4.03Å; V44-L154 PolarHBondContact N-O 2.82Å; V44-I155 HydrophobicContact CB-CG1 4.09Å; V44-I155 HydrophobicContact CG1-CG1 4.24Å; V44-I155 CarbonylContact O-C 3.57Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.41Å; V44-D156 PolarHBondContact O-N 2.86Å
45A98.3Very high98.3Very high62 Ų6233.4 Ų33.451%0.51219%0.194SC..PPolyproline II helixtrans-101.1145.7177.900000111.6D156A45-D156 WeakPolarHBondContact CA-OD1 3.38Å
46T98.2Very high98.3Very high33 Ų3333.4 Ų33.420%0.20219%0.194CC..SBendtrans-72.7154.6166.156.60000111.8V48 I155 D156 F274T46-V48 HydrophobicContact CG2-CG1 4.26Å; T46-I155 HydrophobicContact CG2-CG2 3.57Å; T46-D156 VanDerWaalsContact CB-OD2 3.3Å; T46-D156 WeakPolarHBondContact CB-OD2 3.45Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.41Å; T46-D156 PolarHBondContact N-OD1 2.61Å; T46-D156 PolarHBondContact OG1-OD2 2.83Å; T46-F274 HydrophobicContact CG2-CB 3.96Å
47P98.4Very high98.4Very high84 Ų8428.4 Ų28.455%0.54517%0.168SC..SBendcis-73.4142.3-1.831.5-35.5000112.6N75 F274P47-N75 WeakPolarHBondContact O-CB 3.34Å; P47-N75 PolarHBondContact O-ND2 2.86Å; P47-F274 VanDerWaalsContact CA-O 3.27Å; P47-F274 WeakPolarHBondContact CA-O 3.04Å
48V98.8Very high98.4Very high2 Ų220.7 Ų20.71%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-149.7148.3179.766.90000111.8V44 T46 N75 V77 I155 F274V44-V48 HydrophobicContact CG1-CB 4.23Å; V44-V48 HydrophobicContact CG1-CG1 4.34Å; V44-V48 HydrophobicContact CG1-CG2 3.89Å; T46-V48 HydrophobicContact CG2-CG1 4.26Å; V48-N75 HydrophobicContact CB-CB 4.31Å; V48-N75 HydrophobicContact CG2-CB 4.1Å; V48-V77 HydrophobicContact CG2-CG2 3.93Å; V48-I155 HydrophobicContact CG1-CD1 3.74Å; V48-I155 HydrophobicContact CG1-CG1 4.1Å; V48-I155 HydrophobicContact CG1-CG2 3.77Å; V48-F274 HydrophobicContact CG1-CB 4.22Å; V48-F274 PolarHBondContact N-O 2.8Å; V48-F274 PolarHBondContact O-N 3.34Å
49T98.9Very high98.4Very high4 Ų421.7 Ų21.73%0.02514%0.135CC..EExtended strand (participates in β ladder)trans-107.9126174.4-60.50000110T74 N75 Y76 V77 I271 V273T49-T74 WeakPolarHBondContact OG1-CG2 3.32Å; T49-N75 PolarHBondContact N-O 3.43Å; T49-Y76 HydrophobicContact CG2-CD1 3.93Å; T49-Y76 HydrophobicContact CG2-CE1 3.48Å; T49-Y76 VanDerWaalsContact CG2-CE1 3.48Å; T49-Y76 CarbonylContact O-C 3.6Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.47Å; T49-V77 PolarHBondContact O-N 2.8Å; T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.79Å; T49-I271 HydrophobicContact CG2-CG1 4.11Å; T49-I271 HydrophobicContact CG2-CG2 4.36Å; T49-V273 HydrophobicContact CG2-CG2 4.26Å
50V98.9Very high98.5Very high0 Ų019.7 Ų19.70%012%0.121CC..EExtended strand (participates in β ladder)trans-100.3132.9178.1-177.30000110.2V77 M79 I155 M272 F274V50-V77 CarbonylContact C-O 3.52Å; V50-V77 WeakPolarHBondContact CA-O 3.41Å; V50-V77 HydrophobicContact CG2-CB 4.27Å; V50-M79 HydrophobicContact CG1-CE 3.57Å; V50-M79 HydrophobicContact CG1-CG 3.94Å; V50-M79 HydrophobicContact CG1-SD 3.63Å; V50-I155 HydrophobicContact CG2-CD1 3.62Å; V50-M272 HydrophobicContact CB-CB 4.4Å; V50-M272 PolarHBondContact N-O 2.77Å; V50-M272 PolarHBondContact O-N 2.81Å; V50-F274 HydrophobicContact CB-CE2 4.23Å; V50-F274 HydrophobicContact CG2-CD2 3.8Å; V50-F274 HydrophobicContact CG2-CE2 3.65Å
51C98.9Very high98.5Very high0 Ų019 Ų190%012%0.117CC..EExtended strand (participates in β ladder)trans-122.6140.1-177.5-54.50000110.2L64 Y76 V77 F78 M79 I271C51-L64 HydrophobicContact CB-CD1 4.15Å; C51-Y76 VanDerWaalsContact SG-CD1 3.57Å; C51-V77 PolarHBondContact N-O 2.85Å; C51-F78 HydrophobicContact CB-CD1 3.5Å; C51-F78 HydrophobicContact CB-CE1 3.71Å; C51-F78 HydrophobicContact CB-CG 4.05Å; C51-F78 HydrophobicContact CB-CZ 4.41Å; C51-M79 WeakPolarHBondContact O-CB 3.47Å; C51-M79 WeakPolarHBondContact O-CG 3.37Å; C51-M79 PolarHBondContact O-N 3.37Å; C51-I271 HydrophobicContact CB-CG2 4.4Å
52G98.8Very high98.5Very high0 Ų020 Ų200%012%0.124CC..  trans-91-149.8171.300000112.3V255 S257G52-V255 WeakPolarHBondContact CA-O 3.44Å; G52-S257 PolarHBondContact N-OG 2.73Å
53D98.9Very high98.5Very high1 Ų120.8 Ų20.81%0.00513%0.128CC..  trans-58.3141.2-175.5-55.332.6000112.6H55 D81 H163 A236 H237 W256 S257 A258D53-H55 IonicContact OD2-CD2 3.81Å; D53-H55 IonicContact OD2-NE2 2.68Å; D53-D81 HydrophobicContact CB-CB 4.04Å; D53-H163 IonicContact OD1-CE1 2.73Å; D53-H163 IonicContact OD2-CE1 3.19Å; D53-A236 WeakPolarHBondContact OD1-CB 3.4Å; D53-H237 PolarHBondContact OD1-N 2.86Å; D53-H237 WeakPolarHBondContact OD2-CA 3.47Å; D53-W256 HydrophobicContact CB-CD2 4.47Å; D53-W256 HydrophobicContact CB-CE3 4.05Å; D53-W256 HydrophobicContact CB-CH2 3.88Å; D53-W256 HydrophobicContact CB-CZ2 4.3Å; D53-W256 HydrophobicContact CB-CZ3 3.76Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.37Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.41Å; D53-S257 CarbonylContact O-C 3.08Å; D53-S257 WeakPolarHBondContact O-CA 3.31Å; D53-S257 WeakPolarHBondContact O-CB 3.12Å; D53-S257 PolarHBondContact O-N 3.23Å; D53-A258 PolarHBondContact O-N 3.49Å
54I98.7Very high98.5Very high3 Ų316.4 Ų16.42%0.01510%0.099CC..  trans-118.6-37.2179.9-53-61.9000111.9G56 Q57 L61 L64 F78 D81 T92I54-G56 PolarHBondContact O-N 2.75Å; I54-Q57 WeakPolarHBondContact O-CB 3.39Å; I54-Q57 PolarHBondContact O-N 3.15Å; I54-Q57 VanDerWaalsContact O-N 3.12Å; I54-L61 HydrophobicContact CD1-CD1 4.3Å; I54-L61 HydrophobicContact CG2-CB 4.05Å; I54-L64 HydrophobicContact CD1-CD1 3.75Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.22Å; I54-F78 HydrophobicContact CG1-CD1 4.25Å; I54-F78 HydrophobicContact CG1-CE1 4.46Å; I54-D81 PolarHBondContact N-O 3.47Å; I54-T92 HydrophobicContact CB-CG2 4.33Å; I54-T92 HydrophobicContact CG2-CG2 3.5Å
55H98.3Very high98.5Very high3 Ų315.5 Ų15.51%0.0149%0.094CC..THydrogen-bonded Turntrans49.750.9171.1-80.9-52.3000114.6D53 Q57 D81 V83 D84 R85 G86 H114 W256 Y261D53-H55 IonicContact OD2-CD2 3.81Å; D53-H55 IonicContact OD2-NE2 2.68Å; H55-Q57 PolarHBondContact O-N 3.25Å; H55-D81 IonicContact CE1-OD2 2.66Å; H55-D81 PolarHBondContact N-O 3.32Å; H55-D81 IonicContact NE2-OD2 3.45Å; H55-V83 PolarHBondContact ND1-O 2.9Å; H55-D84 CarbonylContact C-O 3.11Å; H55-D84 WeakPolarHBondContact CA-O 3.37Å; H55-D84 VanDerWaalsContact O-O 3.08Å; H55-R85 HydrophobicContact CB-CB 4.12Å; H55-G86 WeakPolarHBondContact O-CA 3.28Å; H55-G86 PolarHBondContact O-N 3.04Å; H55-H114 AromaticContact CE1-CD2 3.51Å; H55-H114 AromaticContact CE1-CE1 3.99Å; H55-H114 AromaticContact CE1-CG 3.79Å; H55-H114 AromaticContact CE1-NE2 3.66Å; H55-W256 AromaticContact CD2-CH2 3.97Å; H55-Y261 HydrophobicContact CB-CD2 4.46Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.18Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.27Å; H55-Y261 AromaticContact CD2-CZ 3.6Å; H55-Y261 PolarHBondContact CD2-OH 3.44Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.86Å; H55-Y261 AromaticContact NE2-CZ 3.77Å; H55-Y261 PolarHBondContact NE2-OH 3.23Å; H55-Y261 VanDerWaalsContact NE2-OH 3.09Å
56G97.6Very high98.5Very high0 Ų019.9 Ų19.90%010%0.097CC..THydrogen-bonded Turntrans60.416.7176.200000115.3I54 F58 F82 Y88I54-G56 PolarHBondContact O-N 2.75Å; G56-F58 VanDerWaalsContact C-N 3.26Å; G56-F58 PolarHBondContact O-N 3.43Å; G56-F58 VanDerWaalsContact O-N 3.1Å; G56-F82 PolarHBondContact N-O 2.84Å; G56-Y88 CarbonylContact O-C 3.47Å; G56-Y88 WeakPolarHBondContact O-CA 3.46Å; G56-Y88 WeakPolarHBondContact O-CB 3.41Å; G56-Y88 PolarHBondContact O-N 2.67Å
57Q97.9Very high98.5Very high4 Ų419.9 Ų19.92%0.01910%0.097CC..  trans-84.766.4174.6-65.4-170-172.700110.7I54 H55 Y59 D60 L61 P259 Y263I54-Q57 WeakPolarHBondContact O-CB 3.39Å; I54-Q57 PolarHBondContact O-N 3.15Å; I54-Q57 VanDerWaalsContact O-N 3.12Å; H55-Q57 PolarHBondContact O-N 3.25Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 3.13Å; Q57-D60 HydrophobicContact CB-CB 4.07Å; Q57-D60 PolarHBondContact NE2-OD2 2.86Å; Q57-D60 WeakPolarHBondContact O-CA 3.45Å; Q57-D60 WeakPolarHBondContact O-CB 3.34Å; Q57-D60 PolarHBondContact O-N 3.38Å; Q57-L61 PolarHBondContact O-N 3.4Å; Q57-P259 PolarHBondContact NE2-O 3.11Å; Q57-Y263 HydrophobicContact CG-CE1 4.21Å
58F98.2Very high98.4Very high3 Ų316.3 Ų16.31%0.0138%0.075CC..Hα-helixtrans-50.5-45.6-173.1-179.5-88.1000114.3A13 C16 G56 D60 L61 C62 Y88 E91 T92 Y95A13-F58 VanDerWaalsContact O-CE2 3.29Å; A13-F58 WeakPolarHBondContact O-CE2 3.39Å; A13-F58 WeakPolarHBondContact O-CZ 3.33Å; C16-F58 HydrophobicContact CB-CD1 3.53Å; C16-F58 HydrophobicContact CB-CE1 3.42Å; C16-F58 VanDerWaalsContact CB-CE1 3.42Å; C16-F58 HydrophobicContact CB-CG 4.26Å; C16-F58 HydrophobicContact CB-CZ 4.06Å; C16-F58 WeakPolarHBondContact SG-CD1 3.34Å; G56-F58 VanDerWaalsContact C-N 3.26Å; G56-F58 PolarHBondContact O-N 3.43Å; G56-F58 VanDerWaalsContact O-N 3.1Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.36Å; F58-L61 WeakPolarHBondContact O-CB 3.33Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-L61 VanDerWaalsContact O-N 3.12Å; F58-C62 WeakPolarHBondContact CE1-SG 3.19Å; F58-C62 PolarHBondContact O-N 3.38Å; F58-Y88 HydrophobicContact CB-CD2 4.49Å; F58-Y88 HydrophobicContact CB-CG 4.18Å; F58-E91 HydrophobicContact CD2-CB 3.79Å; F58-E91 HydrophobicContact CE2-CB 4.18Å; F58-E91 HydrophobicContact CG-CB 4.4Å; F58-T92 WeakPolarHBondContact CA-OG1 3.13Å; F58-T92 PolarHBondContact N-OG1 3.27Å; F58-Y95 HydrophobicContact CE2-CD1 4.15Å; F58-Y95 HydrophobicContact CE2-CG 4.34Å
59Y98Very high98.4Very high45 Ų4517.3 Ų17.318%0.1769%0.086CC..Hα-helixtrans-63.9-34-179.9-66.3-79.1000112.3Q57 C62 E63 Y88 V288 R293 V294Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 3.13Å; Y59-C62 WeakPolarHBondContact O-CB 3.08Å; Y59-C62 PolarHBondContact O-N 3.5Å; Y59-E63 PolarHBondContact O-N 2.95Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; Y59-Y88 HydrophobicContact CD2-CD2 4.34Å; Y59-Y88 HydrophobicContact CD2-CE2 4.19Å; Y59-Y88 HydrophobicContact CE2-CD2 4.11Å; Y59-Y88 AromaticContact CE2-CE2 3.65Å; Y59-Y88 HydrophobicContact CE2-CE2 3.65Å; Y59-V288 WeakPolarHBondContact O-CG2 3.45Å; Y59-R293 HydrophobicContact CD2-CB 4.02Å; Y59-R293 HydrophobicContact CD2-CG 3.86Å; Y59-R293 HydrophobicContact CE2-CB 4.12Å; Y59-R293 HydrophobicContact CE2-CG 4.45Å; Y59-R293 HydrophobicContact CG-CB 4.43Å; Y59-R293 HydrophobicContact CG-CG 3.93Å; Y59-V294 WeakPolarHBondContact OH-CB 3.18Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.3Å; Y59-V294 PolarHBondContact OH-N 2.85Å
60D98.4Very high98.4Very high2 Ų220.4 Ų20.41%0.01110%0.101CC..Hα-helixtrans-75.3-30175-61.3-49000111.9Q57 F58 C62 E63 L64 P259 A287 V288 R293Q57-D60 HydrophobicContact CB-CB 4.07Å; Q57-D60 PolarHBondContact NE2-OD2 2.86Å; Q57-D60 WeakPolarHBondContact O-CA 3.45Å; Q57-D60 WeakPolarHBondContact O-CB 3.34Å; Q57-D60 PolarHBondContact O-N 3.38Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.36Å; D60-C62 VanDerWaalsContact C-N 3.31Å; D60-E63 PolarHBondContact O-N 2.91Å; D60-L64 WeakPolarHBondContact O-CB 3.14Å; D60-L64 PolarHBondContact O-N 3.43Å; D60-P259 HydrophobicContact CB-CG 3.82Å; D60-A287 WeakPolarHBondContact OD1-CA 3.22Å; D60-V288 PolarHBondContact OD1-N 2.97Å; D60-R293 IonicContact OD1-CZ 2.68Å; D60-R293 IonicContact OD1-NH2 3.61Å; D60-R293 PolarHBondContact OD1-NH2 2.95Å; D60-R293 IonicContact OD2-CZ 2.8Å; D60-R293 IonicContact OD2-NH1 2.75Å; D60-R293 IonicContact OD2-NH2 3.76Å; D60-R293 PolarHBondContact OD2-NH2 3.5Å
61L98.7Very high98.3Very high1 Ų121 Ų211%0.00510%0.104CC..Hα-helixtrans-62.1-38.8167.3176.363.9000111.3I54 Q57 F58 E63 L64 F65 F78 T92 Y95 L96I54-L61 HydrophobicContact CD1-CD1 4.3Å; I54-L61 HydrophobicContact CG2-CB 4.05Å; Q57-L61 PolarHBondContact O-N 3.4Å; F58-L61 WeakPolarHBondContact O-CB 3.33Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-L61 VanDerWaalsContact O-N 3.12Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.42Å; L61-L64 HydrophobicContact CD1-CD1 4.4Å; L61-L64 HydrophobicContact CD1-CD2 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.24Å; L61-L64 PolarHBondContact O-N 2.88Å; L61-F65 HydrophobicContact CD1-CD2 4.12Å; L61-F65 HydrophobicContact CD1-CE2 3.55Å; L61-F65 HydrophobicContact CD1-CZ 4Å; L61-F65 HydrophobicContact CD2-CE2 4.15Å; L61-F65 HydrophobicContact CG-CD2 4.1Å; L61-F65 HydrophobicContact CG-CE2 3.66Å; L61-F65 WeakPolarHBondContact O-CD2 3.46Å; L61-F65 PolarHBondContact O-N 2.86Å; L61-F65 VanDerWaalsContact O-N 3.12Å; L61-F78 HydrophobicContact CD1-CE1 3.8Å; L61-F78 HydrophobicContact CD1-CZ 4.14Å; L61-T92 HydrophobicContact CD2-CG2 3.89Å; L61-Y95 HydrophobicContact CD2-CD1 4.07Å; L61-L96 HydrophobicContact CD1-CD2 4.39Å; L61-L96 HydrophobicContact CD2-CD1 4.5Å; L61-L96 HydrophobicContact CD2-CD2 4.2Å; L61-L96 HydrophobicContact CD2-CG 4.15Å
62C98.3Very high98.3Very high24 Ų2423.1 Ų23.116%0.16212%0.118CC..Hα-helixtrans-62.2-41.3172.4-63.80000111.8F58 Y59 D60 L64 F65 R66F58-C62 WeakPolarHBondContact CE1-SG 3.19Å; F58-C62 PolarHBondContact O-N 3.38Å; Y59-C62 WeakPolarHBondContact O-CB 3.08Å; Y59-C62 PolarHBondContact O-N 3.5Å; D60-C62 VanDerWaalsContact C-N 3.31Å; C62-L64 VanDerWaalsContact C-N 3.35Å; C62-F65 PolarHBondContact O-N 2.78Å; C62-R66 WeakPolarHBondContact O-CG 3.2Å; C62-R66 PolarHBondContact O-N 2.98Å
63E98.4Very high98.2Very high53 Ų5330 Ų3025%0.24816%0.155CC..Hα-helixtrans-65.9-36.9176.4-171.158.3-159.100112.6Y59 D60 L61 F65 R66 T67 F285 V288Y59-E63 PolarHBondContact O-N 2.95Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; D60-E63 PolarHBondContact O-N 2.91Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.42Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 2.63Å; E63-R66 WeakPolarHBondContact O-CB 3.41Å; E63-R66 PolarHBondContact O-N 3.45Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-R66 WeakPolarHBondContact OE2-CD 3.49Å; E63-R66 IonicContact OE2-CZ 3.75Å; E63-R66 IonicContact OE2-NH1 3.81Å; E63-R66 PolarHBondContact OE2-NH1 3.42Å; E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.1Å; E63-T67 PolarHBondContact O-OG1 3.16Å; E63-F285 HydrophobicContact CB-CD2 4.35Å; E63-F285 HydrophobicContact CG-CB 4.35Å; E63-F285 HydrophobicContact CG-CD2 4.02Å; E63-V288 HydrophobicContact CB-CG2 3.82Å; E63-V288 HydrophobicContact CG-CG2 4.36Å
64L98.8Very high98.2Very high0 Ų031.5 Ų31.50%016%0.164CC..Hα-helixtrans-56.2-46.8171.3-179.3161.3000111C51 I54 D60 L61 C62 R66 T67 G68 Y76 F78 I271 F285C51-L64 HydrophobicContact CB-CD1 4.15Å; I54-L64 HydrophobicContact CD1-CD1 3.75Å; D60-L64 WeakPolarHBondContact O-CB 3.14Å; D60-L64 PolarHBondContact O-N 3.43Å; L61-L64 HydrophobicContact CD1-CD1 4.4Å; L61-L64 HydrophobicContact CD1-CD2 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.24Å; L61-L64 PolarHBondContact O-N 2.88Å; C62-L64 VanDerWaalsContact C-N 3.35Å; L64-R66 PolarHBondContact O-N 2.92Å; L64-T67 PolarHBondContact O-N 3.48Å; L64-G68 PolarHBondContact O-N 3.04Å; L64-Y76 HydrophobicContact CD2-CE1 3.84Å; L64-F78 HydrophobicContact CD1-CE1 4.25Å; L64-F78 HydrophobicContact CD2-CE1 4.34Å; L64-F78 HydrophobicContact CD2-CZ 4.21Å; L64-I271 HydrophobicContact CD1-CG2 3.76Å; L64-I271 HydrophobicContact CD2-CG2 4.18Å; L64-I271 HydrophobicContact CG-CG2 3.61Å; L64-F285 HydrophobicContact CB-CE1 4.39Å; L64-F285 HydrophobicContact CB-CE2 4.26Å; L64-F285 HydrophobicContact CB-CZ 3.89Å; L64-F285 HydrophobicContact CD1-CZ 4.21Å; L64-F285 HydrophobicContact CG-CE1 4.46Å; L64-F285 HydrophobicContact CG-CZ 4.25Å
65F98.6Very high98.2Very high2 Ų232.7 Ų32.71%0.00917%0.17CC..Hα-helixtrans-70.2-27.1176.2-69.3-58.2000113.4L61 C62 E63 T67 G69 Q70 V71 Y76 F78 Y95 L96 L99L61-F65 HydrophobicContact CD1-CD2 4.12Å; L61-F65 HydrophobicContact CD1-CE2 3.55Å; L61-F65 HydrophobicContact CD1-CZ 4Å; L61-F65 HydrophobicContact CD2-CE2 4.15Å; L61-F65 HydrophobicContact CG-CD2 4.1Å; L61-F65 HydrophobicContact CG-CE2 3.66Å; L61-F65 WeakPolarHBondContact O-CD2 3.46Å; L61-F65 PolarHBondContact O-N 2.86Å; L61-F65 VanDerWaalsContact O-N 3.12Å; C62-F65 PolarHBondContact O-N 2.78Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 2.63Å; F65-T67 VanDerWaalsContact C-N 3.33Å; F65-G69 CarbonylContact O-C 3.13Å; F65-G69 VanDerWaalsContact O-CA 3.32Å; F65-G69 WeakPolarHBondContact O-CA 3.44Å; F65-G69 PolarHBondContact O-N 3.16Å; F65-G69 VanDerWaalsContact O-O 3.04Å; F65-Q70 PolarHBondContact O-NE2 3.23Å; F65-Q70 VanDerWaalsContact O-NE2 3.12Å; F65-V71 HydrophobicContact CE1-CG2 4.21Å; F65-Y76 HydrophobicContact CD1-CE1 4.49Å; F65-Y76 HydrophobicContact CD1-CE2 4.02Å; F65-Y76 AromaticContact CD1-CZ 3.88Å; F65-Y76 HydrophobicContact CE1-CD2 4.3Å; F65-Y76 HydrophobicContact CE1-CE1 4.41Å; F65-Y76 HydrophobicContact CE1-CE2 4Å; F65-F78 HydrophobicContact CE1-CE2 4.38Å; F65-F78 AromaticContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CZ-CE2 4.35Å; F65-F78 AromaticContact CZ-CZ 3.77Å; F65-F78 HydrophobicContact CZ-CZ 3.77Å; F65-Y95 AromaticContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CE2-CD1 4.08Å; F65-Y95 AromaticContact CE2-CE1 3.53Å; F65-Y95 HydrophobicContact CE2-CE1 3.53Å; F65-L96 HydrophobicContact CZ-CD2 4.18Å; F65-L99 HydrophobicContact CE1-CD1 4.35Å; F65-L99 HydrophobicContact CE2-CD1 4.1Å; F65-L99 HydrophobicContact CZ-CD1 3.64Å
66R98.2Very high98.2Very high154 Ų15432.6 Ų32.658%0.58117%0.17SC*.Hα-helixtrans-67.9-36.5169.8-68.1-177-164.6123.7-2.5111.6C62 E63 L64C62-R66 WeakPolarHBondContact O-CG 3.2Å; C62-R66 PolarHBondContact O-N 2.98Å; E63-R66 WeakPolarHBondContact O-CB 3.41Å; E63-R66 PolarHBondContact O-N 3.45Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-R66 WeakPolarHBondContact OE2-CD 3.49Å; E63-R66 IonicContact OE2-CZ 3.75Å; E63-R66 IonicContact OE2-NH1 3.81Å; E63-R66 PolarHBondContact OE2-NH1 3.42Å; L64-R66 PolarHBondContact O-N 2.92Å
67T98.3Very high98.3Very high33 Ų3332.6 Ų32.620%0.20217%0.17CC..Hα-helixtrans-77.8-42.4-178.8-57.80000112.7E63 L64 F65 I271 K283E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.1Å; E63-T67 PolarHBondContact O-OG1 3.16Å; L64-T67 PolarHBondContact O-N 3.48Å; F65-T67 VanDerWaalsContact C-N 3.33Å; T67-I271 HydrophobicContact CG2-CD1 4.09Å; T67-K283 HydrophobicContact CG2-CB 3.76Å; T67-K283 HydrophobicContact CG2-CD 4.17Å; T67-K283 WeakPolarHBondContact O-CD 3.08Å; T67-K283 PolarHBondContact O-NZ 2.89Å; T67-K283 VanDerWaalsContact O-NZ 3.1Å
68G98Very high98.4Very high8 Ų832.4 Ų32.48%0.08217%0.169CC..Hα-helixtrans-91.6-22.5-175.700000115.1L64 T74 Y76 I271L64-G68 PolarHBondContact O-N 3.04Å; G68-T74 PolarHBondContact O-OG1 2.56Å; G68-Y76 VanDerWaalsContact CA-OH 3.29Å; G68-Y76 WeakPolarHBondContact CA-OH 3.38Å; G68-I271 VanDerWaalsContact CA-CD1 3.41Å
69G98.3Very high98.4Very high24 Ų2432.3 Ų32.325%0.24717%0.168CC..  trans107.3163.2-171.500000112.2F65 Y76F65-G69 CarbonylContact O-C 3.13Å; F65-G69 VanDerWaalsContact O-CA 3.32Å; F65-G69 WeakPolarHBondContact O-CA 3.44Å; F65-G69 PolarHBondContact O-N 3.16Å; F65-G69 VanDerWaalsContact O-O 3.04Å; G69-Y76 PolarHBondContact N-OH 2.73Å; G69-Y76 PolarHBondContact O-OH 3.13Å
70Q97.9Very high98.4Very high69 Ų6930.1 Ų30.132%0.32216%0.16SC..  trans-90.5150.3-177.7-59.3-66.3-51.500110.8F65 D73 T74F65-Q70 PolarHBondContact O-NE2 3.23Å; F65-Q70 VanDerWaalsContact O-NE2 3.12Å; Q70-D73 PolarHBondContact O-N 3.1Å; Q70-T74 PolarHBondContact O-N 3.1Å
71V97.8Very high98.4Very high13 Ų1330.1 Ų30.18%0.07916%0.16CC..THydrogen-bonded Turntrans-75.1134.5163.9-179.30000107.7F65 Y76 L99 W103 R106F65-V71 HydrophobicContact CE1-CG2 4.21Å; V71-Y76 HydrophobicContact CG2-CD2 3.72Å; V71-Y76 HydrophobicContact CG2-CE2 4.09Å; V71-L99 HydrophobicContact CB-CD2 4.32Å; V71-L99 HydrophobicContact CG2-CD1 4.34Å; V71-W103 HydrophobicContact CB-CE3 4.36Å; V71-W103 HydrophobicContact CG1-CB 4.03Å; V71-W103 HydrophobicContact CG1-CD2 3.95Å; V71-W103 HydrophobicContact CG1-CE3 3.52Å; V71-W103 HydrophobicContact CG1-CG 4.2Å; V71-W103 HydrophobicContact CG1-CZ3 4.21Å; V71-R106 HydrophobicContact CG1-CB 4.04Å
72P97.9Very high98.4Very high44 Ų4430 Ų3029%0.28616%0.159SC..THydrogen-bonded Turncis-96.13.612.537.9-36.3000116.3T74 W103 R106P72-T74 VanDerWaalsContact C-N 3.29Å; P72-T74 PolarHBondContact O-N 3.2Å; P72-W103 HydrophobicContact CB-CD2 4.08Å; P72-W103 HydrophobicContact CB-CG 3.9Å; P72-W103 HydrophobicContact CG-CD2 4.42Å; P72-W103 HydrophobicContact CG-CZ2 4.14Å; P72-R106 HydrophobicContact CB-CG 3.99Å
73D98.1Very high98.5Very high145 Ų14528.9 Ų28.978%0.77515%0.152SC*.THydrogen-bonded Turntrans-68.1-30-175.3-59.6-36.4000112.7Q70Q70-D73 PolarHBondContact O-N 3.1Å
74T98.3Very high98.4Very high32 Ų3226.4 Ų26.420%0.19614%0.14CC..SBendtrans-114.4134.2174.5-60.70000110.6T49 G68 Q70 P72 Y76T49-T74 WeakPolarHBondContact OG1-CG2 3.32Å; G68-T74 PolarHBondContact O-OG1 2.56Å; Q70-T74 PolarHBondContact O-N 3.1Å; P72-T74 VanDerWaalsContact C-N 3.29Å; P72-T74 PolarHBondContact O-N 3.2Å; T74-Y76 HydrophobicContact CG2-CD2 4.04Å; T74-Y76 HydrophobicContact CG2-CE2 3.51Å; T74-Y76 WeakPolarHBondContact O-CD2 3.34Å
75N98.7Very high98.2Very high27 Ų2729.9 Ų29.914%0.14415%0.153CC..  trans-82.6146.1171.7-53.7-46.2000111P47 V48 T49 R106P47-N75 WeakPolarHBondContact O-CB 3.34Å; P47-N75 PolarHBondContact O-ND2 2.86Å; V48-N75 HydrophobicContact CB-CB 4.31Å; V48-N75 HydrophobicContact CG2-CB 4.1Å; T49-N75 PolarHBondContact N-O 3.43Å; N75-R106 CarbonylContact C-O 3.51Å; N75-R106 VanDerWaalsContact CA-O 3.27Å; N75-R106 WeakPolarHBondContact CA-O 3.29Å; N75-R106 WeakPolarHBondContact OD1-CD 3.29Å; N75-R106 PolarHBondContact OD1-NH1 2.76Å
76Y98.9Very high97.9Very high2 Ų229.8 Ų29.81%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-133143.9-176.2-80-87.8000114.3T49 C51 L64 F65 G68 G69 V71 T74 F78 R106 I107 T108T49-Y76 HydrophobicContact CG2-CD1 3.93Å; T49-Y76 HydrophobicContact CG2-CE1 3.48Å; T49-Y76 VanDerWaalsContact CG2-CE1 3.48Å; T49-Y76 CarbonylContact O-C 3.6Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.47Å; C51-Y76 VanDerWaalsContact SG-CD1 3.57Å; L64-Y76 HydrophobicContact CD2-CE1 3.84Å; F65-Y76 HydrophobicContact CD1-CE1 4.49Å; F65-Y76 HydrophobicContact CD1-CE2 4.02Å; F65-Y76 AromaticContact CD1-CZ 3.88Å; F65-Y76 HydrophobicContact CE1-CD2 4.3Å; F65-Y76 HydrophobicContact CE1-CE1 4.41Å; F65-Y76 HydrophobicContact CE1-CE2 4Å; G68-Y76 VanDerWaalsContact CA-OH 3.29Å; G68-Y76 WeakPolarHBondContact CA-OH 3.38Å; G69-Y76 PolarHBondContact N-OH 2.73Å; G69-Y76 PolarHBondContact O-OH 3.13Å; V71-Y76 HydrophobicContact CG2-CD2 3.72Å; V71-Y76 HydrophobicContact CG2-CE2 4.09Å; T74-Y76 HydrophobicContact CG2-CD2 4.04Å; T74-Y76 HydrophobicContact CG2-CE2 3.51Å; T74-Y76 WeakPolarHBondContact O-CD2 3.34Å; Y76-F78 AromaticContact CD1-CE2 3.82Å; Y76-F78 HydrophobicContact CD1-CE2 3.82Å; Y76-F78 HydrophobicContact CD1-CZ 4.02Å; Y76-F78 AromaticContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CZ 4.42Å; Y76-R106 PolarHBondContact N-O 2.78Å; Y76-I107 CarbonylContact O-C 3.16Å; Y76-I107 WeakPolarHBondContact O-CA 3.45Å; Y76-T108 PolarHBondContact O-N 2.86Å
77V98.9Very high97.6Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-119.3118.6160.3176.40000107.6V44 V48 T49 V50 C51 M79 T108 L110 A153 C161V44-V77 HydrophobicContact CB-CG2 4.43Å; V44-V77 HydrophobicContact CG1-CG2 4Å; V44-V77 HydrophobicContact CG2-CG2 4.01Å; V48-V77 HydrophobicContact CG2-CG2 3.93Å; T49-V77 PolarHBondContact O-N 2.8Å; V50-V77 CarbonylContact C-O 3.52Å; V50-V77 WeakPolarHBondContact CA-O 3.41Å; V50-V77 HydrophobicContact CG2-CB 4.27Å; C51-V77 PolarHBondContact N-O 2.85Å; V77-M79 HydrophobicContact CG1-CG 4.49Å; V77-T108 WeakPolarHBondContact CA-O 3.38Å; V77-L110 HydrophobicContact CG1-CD1 4.22Å; V77-L110 HydrophobicContact CG1-CG 4.22Å; V77-A153 HydrophobicContact CG1-CB 4.06Å; V77-A153 HydrophobicContact CG2-CB 4.35Å; V77-C161 HydrophobicContact CG1-CB 4.14Å
78F98.9Very high97.5Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-101.9127.5170.3-69.5-101.6000110C51 I54 L61 L64 F65 Y76 G80 F82 L96 I107 T108 L109 L110C51-F78 HydrophobicContact CB-CD1 3.5Å; C51-F78 HydrophobicContact CB-CE1 3.71Å; C51-F78 HydrophobicContact CB-CG 4.05Å; C51-F78 HydrophobicContact CB-CZ 4.41Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.22Å; I54-F78 HydrophobicContact CG1-CD1 4.25Å; I54-F78 HydrophobicContact CG1-CE1 4.46Å; L61-F78 HydrophobicContact CD1-CE1 3.8Å; L61-F78 HydrophobicContact CD1-CZ 4.14Å; L64-F78 HydrophobicContact CD1-CE1 4.25Å; L64-F78 HydrophobicContact CD2-CE1 4.34Å; L64-F78 HydrophobicContact CD2-CZ 4.21Å; F65-F78 HydrophobicContact CE1-CE2 4.38Å; F65-F78 AromaticContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CZ-CE2 4.35Å; F65-F78 AromaticContact CZ-CZ 3.77Å; F65-F78 HydrophobicContact CZ-CZ 3.77Å; Y76-F78 AromaticContact CD1-CE2 3.82Å; Y76-F78 HydrophobicContact CD1-CE2 3.82Å; Y76-F78 HydrophobicContact CD1-CZ 4.02Å; Y76-F78 AromaticContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CZ 4.42Å; F78-G80 VanDerWaalsContact C-N 3.33Å; F78-G80 PolarHBondContact O-N 3.4Å; F78-F82 HydrophobicContact CB-CE1 3.55Å; F78-F82 HydrophobicContact CB-CZ 4.02Å; F78-F82 HydrophobicContact CD1-CE1 4.41Å; F78-F82 HydrophobicContact CG-CE1 4.22Å; F78-L96 HydrophobicContact CD1-CD2 4.41Å; F78-L96 HydrophobicContact CD2-CD2 4.29Å; F78-L96 HydrophobicContact CE1-CD2 4.06Å; F78-L96 HydrophobicContact CE2-CD2 3.93Å; F78-L96 HydrophobicContact CZ-CD2 3.82Å; F78-I107 HydrophobicContact CD2-CD1 3.96Å; F78-I107 HydrophobicContact CD2-CG1 4.01Å; F78-I107 HydrophobicContact CE2-CD1 3.71Å; F78-I107 HydrophobicContact CE2-CG1 4.1Å; F78-T108 PolarHBondContact N-O 3.46Å; F78-L109 HydrophobicContact CB-CD2 4.04Å; F78-L109 HydrophobicContact CD2-CD2 4.02Å; F78-L109 HydrophobicContact CG-CD2 4.27Å; F78-L110 WeakPolarHBondContact O-CB 3.44Å; F78-L110 WeakPolarHBondContact O-CG 3.43Å; F78-L110 PolarHBondContact O-N 3.02Å
79M98.9Very high97.5Very high0 Ų023.4 Ų23.40%012%0.123CC..  trans-852.3-170-66.2-173.1-68.500115.1V50 C51 V77 L110 C161 H163 C234 R235 A236 V255V50-M79 HydrophobicContact CG1-CE 3.57Å; V50-M79 HydrophobicContact CG1-CG 3.94Å; V50-M79 HydrophobicContact CG1-SD 3.63Å; C51-M79 WeakPolarHBondContact O-CB 3.47Å; C51-M79 WeakPolarHBondContact O-CG 3.37Å; C51-M79 PolarHBondContact O-N 3.37Å; V77-M79 HydrophobicContact CG1-CG 4.49Å; M79-L110 HydrophobicContact CB-CD1 4.43Å; M79-L110 HydrophobicContact CG-CD1 4.12Å; M79-C161 HydrophobicContact CG-CB 4.39Å; M79-C161 HydrophobicContact SD-CB 4.2Å; M79-H163 WeakPolarHBondContact O-CA 3.46Å; M79-H163 WeakPolarHBondContact O-CB 3.3Å; M79-H163 PolarHBondContact O-ND1 3.06Å; M79-H163 VanDerWaalsContact O-ND1 3.12Å; M79-C234 HydrophobicContact SD-CB 4.41Å; M79-R235 WeakPolarHBondContact CE-O 3.35Å; M79-A236 HydrophobicContact CB-CB 3.92Å; M79-A236 HydrophobicContact CE-CB 3.98Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.32Å
80G98.6Very high97.5Very high0 Ų022.3 Ų22.30%011%0.111CC..SBendtrans117.9-168.9176.300000113.1F78 L110F78-G80 VanDerWaalsContact C-N 3.33Å; F78-G80 PolarHBondContact O-N 3.4Å; G80-L110 WeakPolarHBondContact CA-O 3.32Å
81D98.8Very high97.5Very high1 Ų119.3 Ų19.31%0.00510%0.097CC..  trans53.157.2-178.7-74.16.1000111.7D53 I54 H55 G112 N113 H114 E115 H163D53-D81 HydrophobicContact CB-CB 4.04Å; I54-D81 PolarHBondContact N-O 3.47Å; H55-D81 IonicContact CE1-OD2 2.66Å; H55-D81 PolarHBondContact N-O 3.32Å; H55-D81 IonicContact NE2-OD2 3.45Å; D81-G112 WeakPolarHBondContact OD1-CA 3.3Å; D81-N113 PolarHBondContact OD1-N 2.97Å; D81-N113 PolarHBondContact OD1-OD1 3.39Å; D81-N113 PolarHBondContact OD2-OD1 3.27Å; D81-H114 HydrophobicContact CB-CB 4.43Å; D81-H114 WeakPolarHBondContact OD1-CB 3.45Å; D81-H114 IonicContact OD1-CD2 3.79Å; D81-H114 IonicContact OD1-CG 2.78Å; D81-H114 PolarHBondContact OD1-N 2.88Å; D81-H114 IonicContact OD2-CD2 3.96Å; D81-H114 PolarHBondContact OD2-CD2 2.85Å; D81-E115 WeakPolarHBondContact CA-OE1 3.23Å; D81-E115 PolarHBondContact N-OE2 2.67Å; D81-H163 IonicContact OD1-CD2 2.91Å; D81-H163 IonicContact OD1-CE1 2.72Å; D81-H163 IonicContact OD1-NE2 3.96Å; D81-H163 PolarHBondContact OD1-NE2 3.5Å; D81-H163 VanDerWaalsContact OD1-NE2 3.14Å; D81-H163 IonicContact OD2-CE1 3.8Å; D81-H163 PolarHBondContact OD2-CE1 3.02Å; D81-H163 IonicContact OD2-NE2 3.55Å; D81-H163 PolarHBondContact OD2-NE2 3.12Å
82F98.8Very high97.5Very high0 Ų018.7 Ų18.70%09%0.093CC..  trans-76.7-32.1176.7-51.5-62.1000111.9G56 F78 F93 L96 L109 L110 E115 L149G56-F82 PolarHBondContact N-O 2.84Å; F78-F82 HydrophobicContact CB-CE1 3.55Å; F78-F82 HydrophobicContact CB-CZ 4.02Å; F78-F82 HydrophobicContact CD1-CE1 4.41Å; F78-F82 HydrophobicContact CG-CE1 4.22Å; F82-F93 HydrophobicContact CB-CD2 3.96Å; F82-F93 AromaticContact CD2-CD2 3.82Å; F82-F93 HydrophobicContact CD2-CD2 3.82Å; F82-F93 AromaticContact CD2-CE2 3.79Å; F82-F93 HydrophobicContact CD2-CE2 3.79Å; F82-F93 HydrophobicContact CE2-CE2 4.28Å; F82-F93 HydrophobicContact CG-CD2 4.03Å; F82-F93 HydrophobicContact CG-CE2 4.45Å; F82-L96 HydrophobicContact CB-CD1 4.44Å; F82-L96 HydrophobicContact CD1-CD1 3.27Å; F82-L96 HydrophobicContact CE1-CD1 3.65Å; F82-L96 HydrophobicContact CG-CD1 4.02Å; F82-L109 HydrophobicContact CE1-CD2 4.17Å; F82-L109 HydrophobicContact CE2-CB 4.49Å; F82-L109 HydrophobicContact CZ-CB 4.05Å; F82-L109 HydrophobicContact CZ-CD2 4Å; F82-L110 WeakPolarHBondContact CE2-O 3.42Å; F82-L110 WeakPolarHBondContact CZ-O 3.42Å; F82-E115 HydrophobicContact CD2-CG 3.89Å; F82-E115 WeakPolarHBondContact CD2-OE1 3.38Å; F82-E115 HydrophobicContact CE2-CG 4.42Å; F82-E115 PolarHBondContact N-OE1 2.89Å; F82-L149 HydrophobicContact CE2-CD1 4.07Å
83V98.6Very high97.6Very high0 Ų016.6 Ų16.60%08%0.08CC..SBendtrans-113177.3-168.7-57.80000113H55 F93 H114 E115 T120 F125 F146H55-V83 PolarHBondContact ND1-O 2.9Å; V83-F93 HydrophobicContact CG1-CB 4.01Å; V83-F93 HydrophobicContact CG1-CG 4.35Å; V83-H114 HydrophobicContact CG2-CB 4.35Å; V83-E115 PolarHBondContact N-OE1 3.03Å; V83-T120 HydrophobicContact CG2-CG2 3.81Å; V83-F125 HydrophobicContact CB-CB 4.14Å; V83-F125 HydrophobicContact CB-CD1 4.27Å; V83-F125 HydrophobicContact CB-CD2 4.18Å; V83-F125 HydrophobicContact CB-CG 3.94Å; V83-F125 HydrophobicContact CG1-CD1 4.28Å; V83-F125 HydrophobicContact CG1-CD2 4.11Å; V83-F125 HydrophobicContact CG1-CE1 4.28Å; V83-F125 HydrophobicContact CG1-CE2 4.07Å; V83-F125 HydrophobicContact CG1-CG 4.18Å; V83-F125 HydrophobicContact CG1-CZ 4.15Å; V83-F125 HydrophobicContact CG2-CB 4.35Å; V83-F125 HydrophobicContact CG2-CD1 4.23Å; V83-F125 HydrophobicContact CG2-CG 4.28Å; V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.12Å
84D97.4Very high97.6Very high0 Ų09.7 Ų9.70%04%0.043CC..SBendtrans64.1168.3-175.9-65.1-38.3000113.8H55 G86 S89 H114 Y123 G124 F125H55-D84 CarbonylContact C-O 3.11Å; H55-D84 WeakPolarHBondContact CA-O 3.37Å; H55-D84 VanDerWaalsContact O-O 3.08Å; D84-G86 PolarHBondContact O-N 2.83Å; D84-S89 PolarHBondContact N-OG 3.05Å; D84-H114 WeakPolarHBondContact CB-ND1 3.24Å; D84-H114 IonicContact OD2-CE1 3.5Å; D84-H114 IonicContact OD2-CG 2.82Å; D84-H114 IonicContact OD2-ND1 2.77Å; D84-H114 PolarHBondContact OD2-ND1 2.94Å; D84-Y123 WeakPolarHBondContact CB-O 3.33Å; D84-Y123 VanDerWaalsContact OD1-C 3.27Å; D84-G124 PolarHBondContact OD1-N 2.73Å; D84-F125 WeakPolarHBondContact OD1-CB 3.44Å; D84-F125 PolarHBondContact OD1-N 2.91Å
85R93.4Very high97.6Very high73 Ų738.6 Ų8.628%0.2754%0.035SC..SBendtrans66.5-27.7171.8-46.9-71.6-168.7179.9-1.7116.4H55 Y123 Y261 F304H55-R85 HydrophobicContact CB-CB 4.12Å; R85-Y123 VanDerWaalsContact CZ-CE1 3.42Å; R85-Y123 PolarHBondContact N-O 2.74Å; R85-Y123 VanDerWaalsContact N-O 3.16Å; R85-Y123 VanDerWaalsContact NH1-CE1 3.29Å; R85-Y123 VanDerWaalsContact NH2-CD1 3.3Å; R85-Y261 HydrophobicContact CB-CE2 4.05Å; R85-Y261 HydrophobicContact CG-CE2 4.31Å; R85-Y261 WeakPolarHBondContact CG-OH 3.36Å; R85-F304 WeakPolarHBondContact O-CE1 3.45Å; R85-F304 WeakPolarHBondContact O-CZ 3.02Å
86G92.9Very high97.6Very high0 Ų07.3 Ų7.30%03%0.028CC..SBendtrans-98.2176.417200000112.3H55 D84 Y303H55-G86 WeakPolarHBondContact O-CA 3.28Å; H55-G86 PolarHBondContact O-N 3.04Å; D84-G86 PolarHBondContact O-N 2.83Å; G86-Y303 PolarHBondContact O-OH 2.89Å
87Y91.9Very high97.6Very high44 Ų447.2 Ų7.217%0.1733%0.028CC..SBendtrans-84.5-18.2179.1-66.2-44.1000114.6Y263 I295 P296 T301 F304Y87-Y263 HydrophobicContact CD1-CE2 4.32Å; Y87-Y263 HydrophobicContact CD2-CD2 4.31Å; Y87-Y263 HydrophobicContact CD2-CE1 4.49Å; Y87-Y263 AromaticContact CD2-CE2 3.36Å; Y87-Y263 HydrophobicContact CD2-CE2 3.36Å; Y87-Y263 AromaticContact CD2-CZ 3.48Å; Y87-Y263 VanDerWaalsContact CD2-CZ 3.48Å; Y87-Y263 VanDerWaalsContact CD2-OH 3.3Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.33Å; Y87-Y263 HydrophobicContact CE1-CE2 4.15Å; Y87-Y263 AromaticContact CE2-CD2 3.62Å; Y87-Y263 HydrophobicContact CE2-CD2 3.62Å; Y87-Y263 HydrophobicContact CE2-CE1 4.5Å; Y87-Y263 AromaticContact CE2-CE2 3.1Å; Y87-Y263 HydrophobicContact CE2-CE2 3.1Å; Y87-Y263 HydrophobicContact CE2-CG 4.47Å; Y87-Y263 AromaticContact CE2-CZ 3.64Å; Y87-Y263 AromaticContact CG-CE2 3.96Å; Y87-Y263 HydrophobicContact CG-CE2 3.96Å; Y87-Y263 AromaticContact CZ-CD2 3.83Å; Y87-Y263 AromaticContact CZ-CE2 3.52Å; Y87-Y263 PolarHBondContact N-OH 3.17Å; Y87-I295 HydrophobicContact CE2-CG2 4.27Å; Y87-P296 HydrophobicContact CD1-CG 3.75Å; Y87-P296 HydrophobicContact CD2-CG 4.19Å; Y87-P296 HydrophobicContact CE1-CG 4.43Å; Y87-P296 HydrophobicContact CG-CG 3.63Å; Y87-T301 HydrophobicContact CD1-CG2 3.81Å; Y87-T301 WeakPolarHBondContact CD1-OG1 3.45Å; Y87-T301 WeakPolarHBondContact CE1-OG1 3.35Å; Y87-F304 AromaticContact CD1-CD2 3.96Å; Y87-F304 HydrophobicContact CD1-CD2 3.96Å; Y87-F304 AromaticContact CD1-CE2 3.24Å; Y87-F304 HydrophobicContact CD1-CE2 3.24Å; Y87-F304 AromaticContact CD1-CZ 3.78Å; Y87-F304 HydrophobicContact CD1-CZ 3.78Å; Y87-F304 AromaticContact CE1-CD2 3.33Å; Y87-F304 HydrophobicContact CE1-CD2 3.33Å; Y87-F304 HydrophobicContact CE1-CE1 4.33Å; Y87-F304 AromaticContact CE1-CE2 3.02Å; Y87-F304 HydrophobicContact CE1-CE2 3.02Å; Y87-F304 HydrophobicContact CE1-CG 4.1Å; Y87-F304 AromaticContact CE1-CZ 3.55Å; Y87-F304 HydrophobicContact CE1-CZ 3.55Å; Y87-F304 HydrophobicContact CG-CE2 4.24Å; Y87-F304 HydrophobicContact CG-CZ 4.42Å; Y87-F304 AromaticContact CZ-CE2 3.87Å; Y87-F304 AromaticContact CZ-CZ 3.98Å
88Y96.4Very high97.6Very high18 Ų187.2 Ų7.27%0.0713%0.028CC..  trans-130.942.6-164.3-61-74.6000112.1C16 G56 F58 Y59 L90 E91 T92 V294C16-Y88 WeakPolarHBondContact SG-CD1 3.36Å; G56-Y88 CarbonylContact O-C 3.47Å; G56-Y88 WeakPolarHBondContact O-CA 3.46Å; G56-Y88 WeakPolarHBondContact O-CB 3.41Å; G56-Y88 PolarHBondContact O-N 2.67Å; F58-Y88 HydrophobicContact CB-CD2 4.49Å; F58-Y88 HydrophobicContact CB-CG 4.18Å; Y59-Y88 HydrophobicContact CD2-CD2 4.34Å; Y59-Y88 HydrophobicContact CD2-CE2 4.19Å; Y59-Y88 HydrophobicContact CE2-CD2 4.11Å; Y59-Y88 AromaticContact CE2-CE2 3.65Å; Y59-Y88 HydrophobicContact CE2-CE2 3.65Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 2.85Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.5Å; Y88-E91 PolarHBondContact O-N 2.86Å; Y88-T92 WeakPolarHBondContact O-CB 3.36Å; Y88-T92 PolarHBondContact O-N 3.38Å; Y88-T92 PolarHBondContact O-OG1 3.26Å; Y88-V294 WeakPolarHBondContact CE2-O 3.16Å; Y88-V294 VanDerWaalsContact OH-C 3.25Å; Y88-V294 WeakPolarHBondContact OH-CB 3.1Å; Y88-V294 PolarHBondContact OH-O 3.41Å
89S98.1Very high97.6Very high0 Ų07.3 Ų7.30%03%0.029CC..Hα-helixtrans-63.5-39.8-179.2-47.10000111.5D84 T92 F93 E128D84-S89 PolarHBondContact N-OG 3.05Å; S89-T92 PolarHBondContact O-N 3.34Å; S89-F93 WeakPolarHBondContact O-CB 3.42Å; S89-F93 PolarHBondContact O-N 3.34Å; S89-E128 WeakPolarHBondContact CA-OE2 3.4Å; S89-E128 WeakPolarHBondContact CB-OE2 3.31Å; S89-E128 PolarHBondContact N-OE1 3.23Å; S89-E128 VanDerWaalsContact N-OE1 3.09Å; S89-E128 PolarHBondContact N-OE2 2.85Å; S89-E128 PolarHBondContact OG-OE2 2.68Å
90L97.8Very high97.6Very high0 Ų07.3 Ų7.30%03%0.029CC..Hα-helixtrans-63.6-48.7178.9177.968.5000111.3Y18 L24 Y88 T94 F125 E128 K132 Y133Y18-L90 HydrophobicContact CD1-CD2 4.27Å; Y18-L90 HydrophobicContact CD2-CD2 4.4Å; Y18-L90 HydrophobicContact CG-CD2 3.83Å; L24-L90 HydrophobicContact CD2-CD1 4.17Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 2.85Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.3Å; L90-F125 HydrophobicContact CB-CE2 4.23Å; L90-F125 HydrophobicContact CD1-CE2 4.47Å; L90-E128 VanDerWaalsContact CB-OE1 3.22Å; L90-E128 WeakPolarHBondContact CB-OE1 3.43Å; L90-E128 PolarHBondContact N-OE1 3.42Å; L90-K132 HydrophobicContact CD2-CB 4.27Å; L90-K132 HydrophobicContact CD2-CD 3.66Å; L90-Y133 HydrophobicContact CD1-CE2 4.05Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.37Å; L90-Y133 HydrophobicContact CG-CE2 4.31Å
91E98.1Very high97.6Very high6 Ų67.4 Ų7.43%0.0283%0.03CC..Hα-helixtrans-66.4-40.8178.5-65.480.5-17900111.2Y18 F58 Y88 T94 Y95 K132Y18-E91 WeakPolarHBondContact CD1-OE1 3.42Å; F58-E91 HydrophobicContact CD2-CB 3.79Å; F58-E91 HydrophobicContact CE2-CB 4.18Å; F58-E91 HydrophobicContact CG-CB 4.4Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.5Å; Y88-E91 PolarHBondContact O-N 2.86Å; E91-T94 PolarHBondContact O-N 2.89Å; E91-Y95 VanDerWaalsContact O-CB 3.3Å; E91-Y95 WeakPolarHBondContact O-CB 3.32Å; E91-Y95 PolarHBondContact O-N 2.93Å; E91-K132 WeakPolarHBondContact OE1-CE 3.19Å; E91-K132 IonicContact OE1-NZ 3.76Å; E91-K132 PolarHBondContact OE1-NZ 3.21Å; E91-K132 IonicContact OE2-NZ 2.7Å; E91-K132 PolarHBondContact OE2-NZ 3.19Å
92T98.7Very high97.5Very high0 Ų010 Ų100%04%0.041CC..Hα-helixtrans-58-54.7176.8-61.90000110.5I54 F58 L61 Y88 S89 Y95 L96I54-T92 HydrophobicContact CB-CG2 4.33Å; I54-T92 HydrophobicContact CG2-CG2 3.5Å; F58-T92 WeakPolarHBondContact CA-OG1 3.13Å; F58-T92 PolarHBondContact N-OG1 3.27Å; L61-T92 HydrophobicContact CD2-CG2 3.89Å; Y88-T92 WeakPolarHBondContact O-CB 3.36Å; Y88-T92 PolarHBondContact O-N 3.38Å; Y88-T92 PolarHBondContact O-OG1 3.26Å; S89-T92 PolarHBondContact O-N 3.34Å; T92-Y95 PolarHBondContact O-N 2.91Å; T92-L96 HydrophobicContact CG2-CD1 4.47Å; T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 2.84Å; T92-L96 VanDerWaalsContact O-N 3.16Å
93F98.8Very high97.5Very high0 Ų013 Ų130%05%0.052CC..Hα-helixtrans-68.2-41.7-178.5-168.8-125.7000111.6F82 V83 S89 Y95 L96 L97 C142 V145 F146F82-F93 HydrophobicContact CB-CD2 3.96Å; F82-F93 AromaticContact CD2-CD2 3.82Å; F82-F93 HydrophobicContact CD2-CD2 3.82Å; F82-F93 AromaticContact CD2-CE2 3.79Å; F82-F93 HydrophobicContact CD2-CE2 3.79Å; F82-F93 HydrophobicContact CE2-CE2 4.28Å; F82-F93 HydrophobicContact CG-CD2 4.03Å; F82-F93 HydrophobicContact CG-CE2 4.45Å; V83-F93 HydrophobicContact CG1-CB 4.01Å; V83-F93 HydrophobicContact CG1-CG 4.35Å; S89-F93 WeakPolarHBondContact O-CB 3.42Å; S89-F93 PolarHBondContact O-N 3.34Å; F93-Y95 VanDerWaalsContact C-N 3.29Å; F93-Y95 PolarHBondContact O-N 2.88Å; F93-L96 PolarHBondContact O-N 3.47Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.22Å; F93-L97 HydrophobicContact CD2-CG 4.42Å; F93-L97 HydrophobicContact CE1-CD1 3.58Å; F93-L97 HydrophobicContact CE1-CD2 4.17Å; F93-L97 HydrophobicContact CE1-CG 3.99Å; F93-L97 HydrophobicContact CE2-CD2 3.93Å; F93-L97 HydrophobicContact CE2-CG 4.2Å; F93-L97 HydrophobicContact CG-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 4Å; F93-L97 HydrophobicContact CZ-CD2 3.69Å; F93-L97 HydrophobicContact CZ-CG 3.98Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.25Å; F93-L97 PolarHBondContact O-N 2.97Å; F93-C142 HydrophobicContact CD1-CB 4.1Å; F93-C142 HydrophobicContact CE1-CB 3.97Å; F93-V145 HydrophobicContact CE1-CB 4.38Å; F93-V145 HydrophobicContact CE1-CG1 4.47Å; F93-V145 HydrophobicContact CZ-CB 4.28Å; F93-V145 HydrophobicContact CZ-CG1 3.97Å; F93-F146 AromaticContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CZ 4.43Å; F93-F146 HydrophobicContact CD2-CE1 4.34Å; F93-F146 AromaticContact CE1-CD1 3.85Å; F93-F146 HydrophobicContact CE1-CD1 3.85Å; F93-F146 AromaticContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CZ 4.22Å; F93-F146 HydrophobicContact CE2-CD1 4.31Å; F93-F146 AromaticContact CE2-CE1 3.91Å; F93-F146 HydrophobicContact CE2-CE1 3.91Å; F93-F146 HydrophobicContact CG-CE1 4.31Å; F93-F146 AromaticContact CZ-CD1 3.6Å; F93-F146 HydrophobicContact CZ-CD1 3.6Å; F93-F146 AromaticContact CZ-CE1 3.35Å; F93-F146 HydrophobicContact CZ-CE1 3.35Å
94T98.6Very high97.5Very high0 Ų014.8 Ų14.80%06%0.063CC..Hα-helixtrans-59-40.6176.5-600000111.8A13 L19 L24 L27 L90 E91 L97 A98A13-T94 HydrophobicContact CB-CG2 4.31Å; L19-T94 HydrophobicContact CD1-CG2 3.78Å; L19-T94 HydrophobicContact CG-CG2 3.78Å; L24-T94 HydrophobicContact CD1-CG2 4.48Å; L27-T94 HydrophobicContact CD2-CG2 4.29Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.3Å; E91-T94 PolarHBondContact O-N 2.89Å; T94-L97 PolarHBondContact O-N 3.44Å; T94-A98 WeakPolarHBondContact O-CB 3.06Å; T94-A98 PolarHBondContact O-N 2.93Å
95Y98.8Very high97.5Very high9 Ų922 Ų224%0.03510%0.102CC..Hα-helixtrans-65.2-46.6177.8-174.4-141.5000111.4V10 A13 K14 F58 L61 F65 E91 T92 F93 L97 A98 L99V10-Y95 HydrophobicContact CG1-CE2 4.24Å; A13-Y95 HydrophobicContact CB-CD2 3.89Å; A13-Y95 HydrophobicContact CB-CG 4.3Å; K14-Y95 HydrophobicContact CB-CD2 4.49Å; K14-Y95 HydrophobicContact CB-CE2 3.87Å; K14-Y95 HydrophobicContact CG-CE2 4.42Å; F58-Y95 HydrophobicContact CE2-CD1 4.15Å; F58-Y95 HydrophobicContact CE2-CG 4.34Å; L61-Y95 HydrophobicContact CD2-CD1 4.07Å; F65-Y95 AromaticContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CE2-CD1 4.08Å; F65-Y95 AromaticContact CE2-CE1 3.53Å; F65-Y95 HydrophobicContact CE2-CE1 3.53Å; E91-Y95 VanDerWaalsContact O-CB 3.3Å; E91-Y95 WeakPolarHBondContact O-CB 3.32Å; E91-Y95 PolarHBondContact O-N 2.93Å; T92-Y95 PolarHBondContact O-N 2.91Å; F93-Y95 VanDerWaalsContact C-N 3.29Å; F93-Y95 PolarHBondContact O-N 2.88Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-L97 PolarHBondContact O-N 3.3Å; Y95-A98 PolarHBondContact O-N 3.33Å; Y95-L99 HydrophobicContact CD2-CG 4.28Å; Y95-L99 HydrophobicContact CE1-CD1 4.26Å; Y95-L99 HydrophobicContact CE2-CD1 4.23Å; Y95-L99 HydrophobicContact CE2-CD2 4Å; Y95-L99 HydrophobicContact CE2-CG 4.08Å; Y95-L99 WeakPolarHBondContact O-CG 3.01Å; Y95-L99 PolarHBondContact O-N 2.65Å
96L98.8Very high97.7Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-61.1-40.2175.8-66.5172.8000112.4L61 F65 F78 F82 T92 F93 L99 K100 I107 L109L61-L96 HydrophobicContact CD1-CD2 4.39Å; L61-L96 HydrophobicContact CD2-CD1 4.5Å; L61-L96 HydrophobicContact CD2-CD2 4.2Å; L61-L96 HydrophobicContact CD2-CG 4.15Å; F65-L96 HydrophobicContact CZ-CD2 4.18Å; F78-L96 HydrophobicContact CD1-CD2 4.41Å; F78-L96 HydrophobicContact CD2-CD2 4.29Å; F78-L96 HydrophobicContact CE1-CD2 4.06Å; F78-L96 HydrophobicContact CE2-CD2 3.93Å; F78-L96 HydrophobicContact CZ-CD2 3.82Å; F82-L96 HydrophobicContact CB-CD1 4.44Å; F82-L96 HydrophobicContact CD1-CD1 3.27Å; F82-L96 HydrophobicContact CE1-CD1 3.65Å; F82-L96 HydrophobicContact CG-CD1 4.02Å; T92-L96 HydrophobicContact CG2-CD1 4.47Å; T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 2.84Å; T92-L96 VanDerWaalsContact O-N 3.16Å; F93-L96 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 3.21Å; L96-K100 WeakPolarHBondContact O-CB 3.43Å; L96-K100 PolarHBondContact O-N 3.24Å; L96-I107 HydrophobicContact CD2-CD1 4.06Å; L96-L109 HydrophobicContact CB-CD1 4.33Å; L96-L109 HydrophobicContact CB-CD2 4.31Å
97L98.7Very high97.9Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-65-40.7174.6-68.2-172000112.5L27 V31 F93 T94 Y95 L99 K100 A101 L109 V145L27-L97 HydrophobicContact CD2-CB 3.96Å; L27-L97 HydrophobicContact CG-CB 4.19Å; V31-L97 HydrophobicContact CB-CD2 4.4Å; V31-L97 HydrophobicContact CG1-CD2 3.85Å; V31-L97 HydrophobicContact CG2-CB 4.36Å; V31-L97 HydrophobicContact CG2-CD2 4.42Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.22Å; F93-L97 HydrophobicContact CD2-CG 4.42Å; F93-L97 HydrophobicContact CE1-CD1 3.58Å; F93-L97 HydrophobicContact CE1-CD2 4.17Å; F93-L97 HydrophobicContact CE1-CG 3.99Å; F93-L97 HydrophobicContact CE2-CD2 3.93Å; F93-L97 HydrophobicContact CE2-CG 4.2Å; F93-L97 HydrophobicContact CG-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 4Å; F93-L97 HydrophobicContact CZ-CD2 3.69Å; F93-L97 HydrophobicContact CZ-CG 3.98Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.25Å; F93-L97 PolarHBondContact O-N 2.97Å; T94-L97 PolarHBondContact O-N 3.44Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-L97 PolarHBondContact O-N 3.3Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-K100 PolarHBondContact O-N 2.92Å; L97-A101 WeakPolarHBondContact O-CB 3.25Å; L97-A101 PolarHBondContact O-N 3.36Å; L97-L109 HydrophobicContact CD2-CD1 4.27Å; L97-V145 HydrophobicContact CD1-CG2 4.4Å; L97-V145 HydrophobicContact CD2-CG1 3.8Å
98A98.6Very high98.3Very high0 Ų022.4 Ų22.40%011%0.105CC..Hα-helixtrans-64.7-40.217700000111.4V10 L27 T94 Y95 K102V10-A98 HydrophobicContact CG2-CB 3.75Å; L27-A98 HydrophobicContact CD2-CB 4.29Å; T94-A98 WeakPolarHBondContact O-CB 3.06Å; T94-A98 PolarHBondContact O-N 2.93Å; Y95-A98 PolarHBondContact O-N 3.33Å; A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.27Å; A98-K102 PolarHBondContact O-N 3.12Å
99L98.7Very high98.4Very high3 Ų321.6 Ų21.62%0.01610%0.102CC..Hα-helixtrans-63-44.7172.3-64.5178.7000111.4V10 F65 V71 Y95 L96 L97 K102 W103 I107V10-L99 HydrophobicContact CG1-CD2 4.26Å; V10-L99 HydrophobicContact CG2-CD2 4.43Å; F65-L99 HydrophobicContact CE1-CD1 4.35Å; F65-L99 HydrophobicContact CE2-CD1 4.1Å; F65-L99 HydrophobicContact CZ-CD1 3.64Å; V71-L99 HydrophobicContact CB-CD2 4.32Å; V71-L99 HydrophobicContact CG2-CD1 4.34Å; Y95-L99 HydrophobicContact CD2-CG 4.28Å; Y95-L99 HydrophobicContact CE1-CD1 4.26Å; Y95-L99 HydrophobicContact CE2-CD1 4.23Å; Y95-L99 HydrophobicContact CE2-CD2 4Å; Y95-L99 HydrophobicContact CE2-CG 4.08Å; Y95-L99 WeakPolarHBondContact O-CG 3.01Å; Y95-L99 PolarHBondContact O-N 2.65Å; L96-L99 PolarHBondContact O-N 3.21Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L99-K102 PolarHBondContact O-N 3.5Å; L99-W103 HydrophobicContact CD2-CE3 3.94Å; L99-W103 HydrophobicContact CD2-CZ3 3.54Å; L99-W103 PolarHBondContact O-N 3.42Å; L99-I107 HydrophobicContact CB-CD1 4.16Å; L99-I107 HydrophobicContact CB-CG2 4.49Å; L99-I107 HydrophobicContact CD1-CD1 4.4Å
100K98.7Very high98.4Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-60.9-45.6177.1179.461.7-178.8176.50112.5V31 E38 L96 L97 K102 P104 I107 L109V31-K100 HydrophobicContact CG1-CG 4.07Å; E38-K100 WeakPolarHBondContact OE1-CE 3.35Å; E38-K100 IonicContact OE1-NZ 2.61Å; E38-K100 PolarHBondContact OE1-NZ 3.21Å; E38-K100 IonicContact OE2-NZ 3.73Å; L96-K100 WeakPolarHBondContact O-CB 3.43Å; L96-K100 PolarHBondContact O-N 3.24Å; L97-K100 PolarHBondContact O-N 2.92Å; K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 2.86Å; K100-P104 PolarHBondContact NZ-O 3.46Å; K100-P104 WeakPolarHBondContact O-CA 3.32Å; K100-P104 VanDerWaalsContact O-N 3.16Å; K100-I107 VanDerWaalsContact CA-CG2 3.42Å; K100-I107 HydrophobicContact CB-CG2 3.97Å; K100-I107 HydrophobicContact CD-CG2 3.92Å; K100-I107 WeakPolarHBondContact CD-O 3.49Å; K100-I107 PolarHBondContact NZ-O 3.26Å; K100-L109 HydrophobicContact CB-CD1 4.06Å; K100-L109 HydrophobicContact CG-CD1 4.37Å
101A98.4Very high98.5Very high2 Ų221.6 Ų21.62%0.01710%0.102CC..Hα-helixtrans-62.9-40.4178.100000112L6 L27 Y30 V31 L97L6-A101 HydrophobicContact CD1-CB 4.24Å; L6-A101 WeakPolarHBondContact CD1-O 3.3Å; L6-A101 HydrophobicContact CD2-CB 3.77Å; L27-A101 HydrophobicContact CD1-CB 3.57Å; Y30-A101 HydrophobicContact CD1-CB 3.75Å; Y30-A101 HydrophobicContact CE1-CB 3.87Å; V31-A101 HydrophobicContact CG2-CB 3.9Å; L97-A101 WeakPolarHBondContact O-CB 3.25Å; L97-A101 PolarHBondContact O-N 3.36Å
102K98.2Very high98.5Very high56 Ų5621.3 Ų21.324%0.24310%0.1CC..Hα-helixtrans-80.3-36-175.5-169.2173.5178.1-175.60113.4L6 D7 V10 A98 L99 K100L6-K102 HydrophobicContact CB-CB 4.23Å; L6-K102 HydrophobicContact CB-CD 4.49Å; L6-K102 HydrophobicContact CB-CG 4.32Å; L6-K102 HydrophobicContact CD1-CB 4.38Å; D7-K102 WeakPolarHBondContact OD1-CE 3.45Å; D7-K102 IonicContact OD1-NZ 2.56Å; D7-K102 PolarHBondContact OD1-NZ 3.12Å; V10-K102 HydrophobicContact CG2-CB 4.4Å; V10-K102 HydrophobicContact CG2-CD 3.87Å; A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.27Å; A98-K102 PolarHBondContact O-N 3.12Å; L99-K102 PolarHBondContact O-N 3.5Å; K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 2.86Å
103W98.4Very high98.5Very high62 Ų6221.4 Ų21.424%0.23510%0.101CC..  trans-134.366.4-176.5-60.2-67.6000110.9V71 P72 L99 D105 R106V71-W103 HydrophobicContact CB-CE3 4.36Å; V71-W103 HydrophobicContact CG1-CB 4.03Å; V71-W103 HydrophobicContact CG1-CD2 3.95Å; V71-W103 HydrophobicContact CG1-CE3 3.52Å; V71-W103 HydrophobicContact CG1-CG 4.2Å; V71-W103 HydrophobicContact CG1-CZ3 4.21Å; P72-W103 HydrophobicContact CB-CD2 4.08Å; P72-W103 HydrophobicContact CB-CG 3.9Å; P72-W103 HydrophobicContact CG-CD2 4.42Å; P72-W103 HydrophobicContact CG-CZ2 4.14Å; L99-W103 HydrophobicContact CD2-CE3 3.94Å; L99-W103 HydrophobicContact CD2-CZ3 3.54Å; L99-W103 PolarHBondContact O-N 3.42Å; W103-D105 PolarHBondContact O-N 3.2Å; W103-D105 VanDerWaalsContact O-N 3.15Å; W103-R106 HydrophobicContact CB-CB 3.88Å; W103-R106 HydrophobicContact CB-CG 3.86Å; W103-R106 PolarHBondContact O-N 3.48Å
104P97.7Very high98.5Very high37 Ų3721.8 Ų21.824%0.2410%0.103CC..THydrogen-bonded Turntrans-57.7-33.7-17221.1-33.2000113.8L34 K100 R106L34-P104 HydrophobicContact CD1-CB 4.31Å; L34-P104 HydrophobicContact CD2-CB 4.43Å; K100-P104 PolarHBondContact NZ-O 3.46Å; K100-P104 WeakPolarHBondContact O-CA 3.32Å; K100-P104 VanDerWaalsContact O-N 3.16Å; P104-R106 VanDerWaalsContact C-N 3.3Å; P104-R106 PolarHBondContact O-N 2.78Å
105D96.8Very high98.5Very high153 Ų15321.8 Ų21.882%0.81810%0.103SC*.THydrogen-bonded Turntrans-81-6.5-179.9-53.3-45.6000113.9W103W103-D105 PolarHBondContact O-N 3.2Å; W103-D105 VanDerWaalsContact O-N 3.15Å
106R98.3Very high98.5Very high113 Ų11321.6 Ų21.643%0.42610%0.103SC..THydrogen-bonded Turntrans-103.3-16-175.3-58.8-63-177.6177.50.5113.5V71 P72 N75 Y76 W103 P104V71-R106 HydrophobicContact CG1-CB 4.04Å; P72-R106 HydrophobicContact CB-CG 3.99Å; N75-R106 CarbonylContact C-O 3.51Å; N75-R106 VanDerWaalsContact CA-O 3.27Å; N75-R106 WeakPolarHBondContact CA-O 3.29Å; N75-R106 WeakPolarHBondContact OD1-CD 3.29Å; N75-R106 PolarHBondContact OD1-NH1 2.76Å; Y76-R106 PolarHBondContact N-O 2.78Å; W103-R106 HydrophobicContact CB-CB 3.88Å; W103-R106 HydrophobicContact CB-CG 3.86Å; W103-R106 PolarHBondContact O-N 3.48Å; P104-R106 VanDerWaalsContact C-N 3.3Å; P104-R106 PolarHBondContact O-N 2.78Å
107I98.3Very high98.5Very high0 Ų024.8 Ų24.80%012%0.115CC..EExtended strand (participates in β ladder)trans-140.3124.1-176.3-171.6172000110.8Y76 F78 L96 L99 K100 L109Y76-I107 CarbonylContact O-C 3.16Å; Y76-I107 WeakPolarHBondContact O-CA 3.45Å; F78-I107 HydrophobicContact CD2-CD1 3.96Å; F78-I107 HydrophobicContact CD2-CG1 4.01Å; F78-I107 HydrophobicContact CE2-CD1 3.71Å; F78-I107 HydrophobicContact CE2-CG1 4.1Å; L96-I107 HydrophobicContact CD2-CD1 4.06Å; L99-I107 HydrophobicContact CB-CD1 4.16Å; L99-I107 HydrophobicContact CB-CG2 4.49Å; L99-I107 HydrophobicContact CD1-CD1 4.4Å; K100-I107 VanDerWaalsContact CA-CG2 3.42Å; K100-I107 HydrophobicContact CB-CG2 3.97Å; K100-I107 HydrophobicContact CD-CG2 3.92Å; K100-I107 WeakPolarHBondContact CD-O 3.49Å; K100-I107 PolarHBondContact NZ-O 3.26Å; I107-L109 HydrophobicContact CD1-CD2 3.94Å; I107-L109 HydrophobicContact CG1-CD2 3.91Å; I107-L109 HydrophobicContact CG1-CG 4.49Å
108T98.9Very high98.3Very high12 Ų1228.8 Ų28.87%0.07413%0.133CC..EExtended strand (participates in β ladder)trans-107.7129.6174-55.60000108.7Q42 Y76 V77 F78 L110 A153Q42-T108 HydrophobicContact CB-CG2 4.07Å; Q42-T108 HydrophobicContact CG-CG2 3.98Å; Y76-T108 PolarHBondContact O-N 2.86Å; V77-T108 WeakPolarHBondContact CA-O 3.38Å; F78-T108 PolarHBondContact N-O 3.46Å; T108-L110 HydrophobicContact CG2-CD2 3.96Å; T108-A153 HydrophobicContact CG2-CB 4.27Å
109L98.9Very high98.3Very high0 Ų030 Ų300%014%0.139CC..EExtended strand (participates in β ladder)trans-114.4114179.8-57.4179.8000108.5F78 F82 L96 L97 K100 I107 L149 T150F78-L109 HydrophobicContact CB-CD2 4.04Å; F78-L109 HydrophobicContact CD2-CD2 4.02Å; F78-L109 HydrophobicContact CG-CD2 4.27Å; F82-L109 HydrophobicContact CE1-CD2 4.17Å; F82-L109 HydrophobicContact CE2-CB 4.49Å; F82-L109 HydrophobicContact CZ-CB 4.05Å; F82-L109 HydrophobicContact CZ-CD2 4Å; L96-L109 HydrophobicContact CB-CD1 4.33Å; L96-L109 HydrophobicContact CB-CD2 4.31Å; L97-L109 HydrophobicContact CD2-CD1 4.27Å; K100-L109 HydrophobicContact CB-CD1 4.06Å; K100-L109 HydrophobicContact CG-CD1 4.37Å; I107-L109 HydrophobicContact CD1-CD2 3.94Å; I107-L109 HydrophobicContact CG1-CD2 3.91Å; I107-L109 HydrophobicContact CG1-CG 4.49Å; L109-L149 HydrophobicContact CB-CD2 3.73Å; L109-T150 PolarHBondContact O-OG1 2.76Å
110L98.9Very high98.2Very high0 Ų029.8 Ų29.80%014%0.139CC..BIsolated β-bridgetrans-88158.4173.4-49.5-170.1000110.3V77 F78 M79 G80 F82 T108 T150 A152 A153 C161V77-L110 HydrophobicContact CG1-CD1 4.22Å; V77-L110 HydrophobicContact CG1-CG 4.22Å; F78-L110 WeakPolarHBondContact O-CB 3.44Å; F78-L110 WeakPolarHBondContact O-CG 3.43Å; F78-L110 PolarHBondContact O-N 3.02Å; M79-L110 HydrophobicContact CB-CD1 4.43Å; M79-L110 HydrophobicContact CG-CD1 4.12Å; G80-L110 WeakPolarHBondContact CA-O 3.32Å; F82-L110 WeakPolarHBondContact CE2-O 3.42Å; F82-L110 WeakPolarHBondContact CZ-O 3.42Å; T108-L110 HydrophobicContact CG2-CD2 3.96Å; L110-T150 CarbonylContact C-O 3.53Å; L110-T150 VanDerWaalsContact CA-O 3.24Å; L110-T150 WeakPolarHBondContact CA-O 3.43Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.47Å; L110-A152 VanDerWaalsContact CD2-C 3.48Å; L110-A153 HydrophobicContact CD2-CB 4.04Å; L110-C161 HydrophobicContact CD1-CB 4.02Å; L110-C161 WeakPolarHBondContact CD1-O 3.12Å
111R98.9Very high98.1Very high0 Ų034.9 Ų34.90%016%0.162CC..  trans-84.5121.8174.9-160.5177.7-173.81676.5110.4E115 F146 D147 L149 T150 R181 Q183 I185 V195R111-E115 HydrophobicContact CG-CB 3.88Å; R111-E115 PolarHBondContact NE-O 3.36Å; R111-E115 PolarHBondContact NH2-O 3.01Å; R111-F146 VanDerWaalsContact CD-O 3.3Å; R111-F146 WeakPolarHBondContact CD-O 3.33Å; R111-F146 PolarHBondContact NE-O 3.36Å; R111-F146 VanDerWaalsContact NE-O 3.12Å; R111-F146 PolarHBondContact NH1-O 2.93Å; R111-D147 IonicContact CZ-OD1 3.99Å; R111-D147 IonicContact NH1-OD1 2.65Å; R111-D147 IonicContact NH2-OD1 3.73Å; R111-D147 PolarHBondContact NH2-OD1 3.05Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.4Å; R111-L149 HydrophobicContact CG-CB 4.09Å; R111-L149 HydrophobicContact CG-CD1 4.26Å; R111-T150 PolarHBondContact N-O 2.78Å; R111-R181 PolarHBondContact NH1-O 2.7Å; R111-Q183 PolarHBondContact NH1-O 3.02Å; R111-Q183 PolarHBondContact NH2-O 3.14Å; R111-I185 HydrophobicContact CG-CD1 4.48Å; R111-V195 WeakPolarHBondContact O-CG1 3.33Å
112G98.8Very high97.8Very high0 Ų039.4 Ų39.40%019%0.189CC..  trans-88175165.800000112.1D81 H114 E115 H163D81-G112 WeakPolarHBondContact OD1-CA 3.3Å; G112-H114 PolarHBondContact O-N 3.42Å; G112-E115 WeakPolarHBondContact CA-OE2 3.3Å; G112-E115 PolarHBondContact N-OE2 3.15Å; G112-E115 PolarHBondContact O-N 3.5Å; G112-H163 WeakPolarHBondContact CA-CD2 3.34Å; G112-H163 VanDerWaalsContact CA-CG 3.49Å
113N98.7Very high97.5Very high2 Ų240.8 Ų40.81%0.01119%0.194CC..THydrogen-bonded Turntrans-73.5-20.3177.867-72.8000112.2D81 S116 I119 H163 V195 W196 H237D81-N113 PolarHBondContact OD1-N 2.97Å; D81-N113 PolarHBondContact OD1-OD1 3.39Å; D81-N113 PolarHBondContact OD2-OD1 3.27Å; N113-S116 WeakPolarHBondContact O-CB 3.22Å; N113-I119 WeakPolarHBondContact O-CG1 3.18Å; N113-H163 PolarHBondContact N-CD2 3.28Å; N113-H163 VanDerWaalsContact N-CD2 3.3Å; N113-H163 PolarHBondContact OD1-CD2 3.46Å; N113-H163 PolarHBondContact OD1-NE2 2.95Å; N113-V195 HydrophobicContact CB-CB 4.26Å; N113-V195 HydrophobicContact CB-CG2 4.19Å; N113-W196 HydrophobicContact CB-CD2 3.9Å; N113-W196 HydrophobicContact CB-CE3 4.43Å; N113-W196 HydrophobicContact CB-CG 4.33Å; N113-W196 HydrophobicContact CB-CH2 4.34Å; N113-W196 HydrophobicContact CB-CZ2 3.76Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.21Å; N113-W196 WeakPolarHBondContact ND2-CZ2 3.4Å; N113-H237 VanDerWaalsContact CG-CE1 3.45Å; N113-H237 PolarHBondContact OD1-CE1 3.4Å; N113-H237 PolarHBondContact OD1-ND1 3.05Å
114H98.6Very high97.2Very high9 Ų937.8 Ų37.84%0.04218%0.182CC..THydrogen-bonded Turntrans-78.5-16.6174-81.9-97.3000114H55 D81 V83 D84 G112 S116 I119 T120H55-H114 AromaticContact CE1-CD2 3.51Å; H55-H114 AromaticContact CE1-CE1 3.99Å; H55-H114 AromaticContact CE1-CG 3.79Å; H55-H114 AromaticContact CE1-NE2 3.66Å; D81-H114 HydrophobicContact CB-CB 4.43Å; D81-H114 WeakPolarHBondContact OD1-CB 3.45Å; D81-H114 IonicContact OD1-CD2 3.79Å; D81-H114 IonicContact OD1-CG 2.78Å; D81-H114 PolarHBondContact OD1-N 2.88Å; D81-H114 IonicContact OD2-CD2 3.96Å; D81-H114 PolarHBondContact OD2-CD2 2.85Å; V83-H114 HydrophobicContact CG2-CB 4.35Å; D84-H114 WeakPolarHBondContact CB-ND1 3.24Å; D84-H114 IonicContact OD2-CE1 3.5Å; D84-H114 IonicContact OD2-CG 2.82Å; D84-H114 IonicContact OD2-ND1 2.77Å; D84-H114 PolarHBondContact OD2-ND1 2.94Å; G112-H114 PolarHBondContact O-N 3.42Å; H114-S116 PolarHBondContact O-N 2.87Å; H114-I119 HydrophobicContact CB-CG2 4.31Å; H114-I119 VanDerWaalsContact ND1-CG2 3.28Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.4Å; H114-T120 WeakPolarHBondContact O-CG2 3.31Å
115E98.8Very high97.2Very high0 Ų036 Ų360%017%0.171CC..SBendtrans-78.455.4170.7-7472.3-134.400111.4D81 F82 V83 R111 G112 F146 L149D81-E115 WeakPolarHBondContact CA-OE1 3.23Å; D81-E115 PolarHBondContact N-OE2 2.67Å; F82-E115 HydrophobicContact CD2-CG 3.89Å; F82-E115 WeakPolarHBondContact CD2-OE1 3.38Å; F82-E115 HydrophobicContact CE2-CG 4.42Å; F82-E115 PolarHBondContact N-OE1 2.89Å; V83-E115 PolarHBondContact N-OE1 3.03Å; R111-E115 HydrophobicContact CG-CB 3.88Å; R111-E115 PolarHBondContact NE-O 3.36Å; R111-E115 PolarHBondContact NH2-O 3.01Å; G112-E115 WeakPolarHBondContact CA-OE2 3.3Å; G112-E115 PolarHBondContact N-OE2 3.15Å; G112-E115 PolarHBondContact O-N 3.5Å; E115-F146 HydrophobicContact CB-CB 3.92Å; E115-F146 HydrophobicContact CB-CD1 3.76Å; E115-F146 HydrophobicContact CB-CD2 3.98Å; E115-F146 HydrophobicContact CB-CE1 4.22Å; E115-F146 HydrophobicContact CB-CE2 4.46Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.56Å; E115-F146 HydrophobicContact CG-CD2 4.4Å; E115-F146 HydrophobicContact CG-CE1 3.63Å; E115-F146 HydrophobicContact CG-CG 3.98Å; E115-F146 HydrophobicContact CG-CZ 4.14Å; E115-F146 WeakPolarHBondContact O-CB 3.42Å; E115-L149 HydrophobicContact CB-CD1 4.04Å; E115-L149 HydrophobicContact CG-CD1 3.75Å
116S98.4Very high97.2Very high5 Ų531.8 Ų31.84%0.03514%0.144CC..SBendtrans-136140.8-175.4161.40000110.3N113 H114 Q118 T120 E184N113-S116 WeakPolarHBondContact O-CB 3.22Å; H114-S116 PolarHBondContact O-N 2.87Å; S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 2.72Å; S116-Q118 PolarHBondContact OG-N 3.12Å; S116-T120 WeakPolarHBondContact O-CB 3.33Å; S116-T120 VanDerWaalsContact O-CG2 3.24Å; S116-T120 WeakPolarHBondContact O-CG2 3.34Å; S116-T120 PolarHBondContact O-N 3.34Å; S116-T120 PolarHBondContact O-OG1 3.49Å; S116-E184 VanDerWaalsContact CA-OE1 3.32Å; S116-E184 WeakPolarHBondContact CA-OE1 3.47Å; S116-E184 VanDerWaalsContact CB-OE1 3.25Å; S116-E184 WeakPolarHBondContact CB-OE1 3.42Å; S116-E184 PolarHBondContact OG-OE1 2.82Å
117R98.3Very high97.1Very high67 Ų6729.4 Ų29.425%0.25314%0.139SC..Hα-helixtrans-61.4-41.9175.9-69.7169.1-177.182-0111.6T120 Q121 W139 T143 D147 E184R117-T120 PolarHBondContact O-OG1 2.95Å; R117-Q121 VanDerWaalsContact O-CG 3.27Å; R117-Q121 WeakPolarHBondContact O-CG 3.42Å; R117-Q121 PolarHBondContact O-N 3.32Å; R117-W139 HydrophobicContact CB-CH2 4.21Å; R117-W139 HydrophobicContact CB-CZ2 3.85Å; R117-W139 HydrophobicContact CG-CH2 4.11Å; R117-W139 HydrophobicContact CG-CZ2 3.9Å; R117-T143 HydrophobicContact CG-CG2 3.79Å; R117-T143 PolarHBondContact NH2-O 3.28Å; R117-D147 IonicContact CZ-OD1 3.66Å; R117-D147 IonicContact CZ-OD2 3.87Å; R117-D147 VanDerWaalsContact CZ-OD2 3.27Å; R117-D147 VanDerWaalsContact NH1-CG 3.3Å; R117-D147 IonicContact NH1-OD1 3.58Å; R117-D147 PolarHBondContact NH1-OD1 3.44Å; R117-D147 IonicContact NH1-OD2 3.37Å; R117-D147 PolarHBondContact NH1-OD2 3.37Å; R117-D147 IonicContact NH2-OD1 3.85Å; R117-D147 IonicContact NH2-OD2 3.75Å; R117-D147 PolarHBondContact NH2-OD2 3.25Å; R117-E184 WeakPolarHBondContact CB-OE2 3.39Å; R117-E184 WeakPolarHBondContact CD-OE2 3.35Å; R117-E184 VanDerWaalsContact CG-OE2 3.23Å; R117-E184 WeakPolarHBondContact CG-OE2 3.38Å; R117-E184 IonicContact CZ-OE2 3.09Å; R117-E184 PolarHBondContact N-OE1 2.64Å; R117-E184 PolarHBondContact N-OE2 2.86Å; R117-E184 IonicContact NE-OE2 3.52Å; R117-E184 IonicContact NH1-OE2 3.95Å; R117-E184 PolarHBondContact NH1-OE2 2.89Å
118Q96.1Very high96.9Very high84 Ų8429.4 Ų29.439%0.39314%0.14SC..Hα-helixtrans-67-42.4-176.3-61.4-178.92.500111.7S116 H187S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 2.72Å; S116-Q118 PolarHBondContact OG-N 3.12Å; Q118-H187 VanDerWaalsContact CD-CE1 3.5Å; Q118-H187 PolarHBondContact NE2-CE1 2.83Å; Q118-H187 PolarHBondContact NE2-NE2 2.99Å; Q118-H187 VanDerWaalsContact NE2-NE2 3.19Å; Q118-H187 PolarHBondContact OE1-CE1 3.47Å
119I97.1Very high96.8Very high24 Ų2428.9 Ų28.912%0.12314%0.136CC..Hα-helixtrans-71.1-46.8-178.5-57.9-56.8000110.3N113 H114 Q121 V122 Y123 W196N113-I119 WeakPolarHBondContact O-CG1 3.18Å; H114-I119 HydrophobicContact CB-CG2 4.31Å; H114-I119 VanDerWaalsContact ND1-CG2 3.28Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.4Å; I119-Q121 VanDerWaalsContact C-N 3.25Å; I119-Q121 PolarHBondContact O-N 3.48Å; I119-V122 PolarHBondContact O-N 2.82Å; I119-Y123 HydrophobicContact CB-CD2 4.37Å; I119-Y123 HydrophobicContact CD1-CE2 4.33Å; I119-Y123 HydrophobicContact CG2-CD2 3.45Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.45Å; I119-Y123 HydrophobicContact CG2-CE2 3.97Å; I119-Y123 HydrophobicContact CG2-CG 4.47Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.45Å; I119-Y123 PolarHBondContact O-N 3.45Å; I119-W196 HydrophobicContact CD1-CH2 4.07Å; I119-W196 HydrophobicContact CD1-CZ2 3.87Å; I119-W196 HydrophobicContact CG1-CZ2 4.19Å
120T97.8Very high96.7Very high0 Ų032.3 Ų32.30%015%0.152CC..Hα-helixtrans-66.3-23-177.552.60000114.8V83 H114 S116 R117 V122 F125 Y126 W139 F146V83-T120 HydrophobicContact CG2-CG2 3.81Å; H114-T120 WeakPolarHBondContact O-CG2 3.31Å; S116-T120 WeakPolarHBondContact O-CB 3.33Å; S116-T120 VanDerWaalsContact O-CG2 3.24Å; S116-T120 WeakPolarHBondContact O-CG2 3.34Å; S116-T120 PolarHBondContact O-N 3.34Å; S116-T120 PolarHBondContact O-OG1 3.49Å; R117-T120 PolarHBondContact O-OG1 2.95Å; T120-V122 VanDerWaalsContact C-N 3.26Å; T120-V122 PolarHBondContact O-N 3.03Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.71Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.38Å; T120-Y126 VanDerWaalsContact O-CB 3.31Å; T120-Y126 WeakPolarHBondContact O-CB 3.47Å; T120-Y126 PolarHBondContact O-N 3.49Å; T120-W139 PolarHBondContact OG1-NE1 2.91Å; T120-F146 HydrophobicContact CG2-CE2 4.18Å
121Q95.4Very high96.4Very high107 Ų10735.9 Ų35.950%0.517%0.174SC..Hα-helixtrans-71.2-20.2172.3-77.4-177-57.100113.4R117 I119 Y126 W139R117-Q121 VanDerWaalsContact O-CG 3.27Å; R117-Q121 WeakPolarHBondContact O-CG 3.42Å; R117-Q121 PolarHBondContact O-N 3.32Å; I119-Q121 VanDerWaalsContact C-N 3.25Å; I119-Q121 PolarHBondContact O-N 3.48Å; Q121-Y126 HydrophobicContact CG-CD2 4.21Å; Q121-Y126 HydrophobicContact CG-CG 4.3Å; Q121-W139 HydrophobicContact CG-CH2 4.43Å; Q121-W139 HydrophobicContact CG-CZ2 3.91Å
122V92.9Very high96.2Very high96 Ų9637.7 Ų37.758%0.58218%0.182SC*.Hα-helixtrans-106.6-34.3-176.2-179.70000111.6I119 T120I119-V122 PolarHBondContact O-N 2.82Å; T120-V122 VanDerWaalsContact C-N 3.26Å; T120-V122 PolarHBondContact O-N 3.03Å
123Y92Very high96.1Very high85 Ų8539.2 Ų39.233%0.33319%0.188SC..Hα-helixtrans-106.48.7-167.1-64.3-68.2000115.8D84 R85 I119D84-Y123 WeakPolarHBondContact CB-O 3.33Å; D84-Y123 VanDerWaalsContact OD1-C 3.27Å; R85-Y123 VanDerWaalsContact CZ-CE1 3.42Å; R85-Y123 PolarHBondContact N-O 2.74Å; R85-Y123 VanDerWaalsContact N-O 3.16Å; R85-Y123 VanDerWaalsContact NH1-CE1 3.29Å; R85-Y123 VanDerWaalsContact NH2-CD1 3.3Å; I119-Y123 HydrophobicContact CB-CD2 4.37Å; I119-Y123 HydrophobicContact CD1-CE2 4.33Å; I119-Y123 HydrophobicContact CG2-CD2 3.45Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.45Å; I119-Y123 HydrophobicContact CG2-CE2 3.97Å; I119-Y123 HydrophobicContact CG2-CG 4.47Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.45Å; I119-Y123 PolarHBondContact O-N 3.45Å
124G92.6Very high96Very high0 Ų041.9 Ų41.90%022%0.216CC..SBendtrans123.7-24.2157.700000115.9D84 Y126 D127 E128D84-G124 PolarHBondContact OD1-N 2.73Å; G124-Y126 PolarHBondContact O-N 2.95Å; G124-D127 PolarHBondContact O-N 2.9Å; G124-E128 WeakPolarHBondContact O-CB 3.47Å; G124-E128 PolarHBondContact O-N 2.85Å
125F97.3Very high95.9Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-66-35.2-173.2179.8-126000113.8V83 D84 L90 T120 E128 C129 W139 C142 F146V83-F125 HydrophobicContact CB-CB 4.14Å; V83-F125 HydrophobicContact CB-CD1 4.27Å; V83-F125 HydrophobicContact CB-CD2 4.18Å; V83-F125 HydrophobicContact CB-CG 3.94Å; V83-F125 HydrophobicContact CG1-CD1 4.28Å; V83-F125 HydrophobicContact CG1-CD2 4.11Å; V83-F125 HydrophobicContact CG1-CE1 4.28Å; V83-F125 HydrophobicContact CG1-CE2 4.07Å; V83-F125 HydrophobicContact CG1-CG 4.18Å; V83-F125 HydrophobicContact CG1-CZ 4.15Å; V83-F125 HydrophobicContact CG2-CB 4.35Å; V83-F125 HydrophobicContact CG2-CD1 4.23Å; V83-F125 HydrophobicContact CG2-CG 4.28Å; D84-F125 WeakPolarHBondContact OD1-CB 3.44Å; D84-F125 PolarHBondContact OD1-N 2.91Å; L90-F125 HydrophobicContact CB-CE2 4.23Å; L90-F125 HydrophobicContact CD1-CE2 4.47Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.71Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.38Å; F125-E128 PolarHBondContact O-N 3.06Å; F125-C129 WeakPolarHBondContact CE2-SG 3.44Å; F125-C129 PolarHBondContact O-N 2.9Å; F125-C129 VanDerWaalsContact O-N 3.08Å; F125-C129 PolarHBondContact O-SG 3.42Å; F125-W139 AromaticContact CD1-CD1 3.77Å; F125-C142 HydrophobicContact CE1-CB 3.8Å; F125-C142 HydrophobicContact CZ-CB 3.76Å; F125-F146 HydrophobicContact CD1-CE2 4.21Å; F125-F146 HydrophobicContact CD1-CZ 4.11Å; F125-F146 AromaticContact CE1-CE2 3.93Å; F125-F146 HydrophobicContact CE1-CE2 3.93Å; F125-F146 AromaticContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CZ-CZ 4.33Å
126Y97.3Very high95.8Very high64 Ų6444 Ų4425%0.25123%0.228SC..Hα-helixtrans-59.7-50.5173.7178.6-90.4000111.4T120 Q121 G124 E128 C129 Q130 A136 W139T120-Y126 VanDerWaalsContact O-CB 3.31Å; T120-Y126 WeakPolarHBondContact O-CB 3.47Å; T120-Y126 PolarHBondContact O-N 3.49Å; Q121-Y126 HydrophobicContact CG-CD2 4.21Å; Q121-Y126 HydrophobicContact CG-CG 4.3Å; G124-Y126 PolarHBondContact O-N 2.95Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 2.97Å; Y126-C129 PolarHBondContact O-N 3.2Å; Y126-Q130 WeakPolarHBondContact O-CB 3.47Å; Y126-Q130 PolarHBondContact O-N 2.93Å; Y126-A136 HydrophobicContact CE2-CB 4Å; Y126-W139 HydrophobicContact CD2-CB 4.43Å; Y126-W139 AromaticContact CD2-CD2 3.52Å; Y126-W139 HydrophobicContact CD2-CD2 3.52Å; Y126-W139 AromaticContact CD2-CE2 3.72Å; Y126-W139 AromaticContact CD2-CE3 3.81Å; Y126-W139 HydrophobicContact CD2-CE3 3.81Å; Y126-W139 AromaticContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CH2 4.45Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.27Å; Y126-W139 HydrophobicContact CE2-CD2 4.09Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.2Å
127D94.7Very high95.8Very high62 Ų6245.9 Ų45.933%0.33224%0.238SC..Hα-helixtrans-65.5-37.7-179.1-70.4-22000111.9G124 Q130 T131G124-D127 PolarHBondContact O-N 2.9Å; D127-Q130 PolarHBondContact O-N 3.35Å; D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.44Å; D127-T131 PolarHBondContact O-N 2.91Å; D127-T131 PolarHBondContact O-OG1 3.43Å
128E95.4Very high95.8Very high1 Ų142.7 Ų42.71%0.00523%0.226CC..Hα-helixtrans-59.1-48.5174.7-172.3-171.7154.500111.1S89 L90 G124 F125 Y126 T131 K132S89-E128 WeakPolarHBondContact CA-OE2 3.4Å; S89-E128 WeakPolarHBondContact CB-OE2 3.31Å; S89-E128 PolarHBondContact N-OE1 3.23Å; S89-E128 VanDerWaalsContact N-OE1 3.09Å; S89-E128 PolarHBondContact N-OE2 2.85Å; S89-E128 PolarHBondContact OG-OE2 2.68Å; L90-E128 VanDerWaalsContact CB-OE1 3.22Å; L90-E128 WeakPolarHBondContact CB-OE1 3.43Å; L90-E128 PolarHBondContact N-OE1 3.42Å; G124-E128 WeakPolarHBondContact O-CB 3.47Å; G124-E128 PolarHBondContact O-N 2.85Å; F125-E128 PolarHBondContact O-N 3.06Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 2.97Å; E128-T131 PolarHBondContact O-N 3.16Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CB 3.47Å; E128-K132 WeakPolarHBondContact O-CG 3.47Å; E128-K132 PolarHBondContact O-N 2.87Å; E128-K132 IonicContact OE1-NZ 2.8Å; E128-K132 PolarHBondContact OE1-NZ 3.21Å
129C96.8Very high96Very high0 Ų039.9 Ų39.90%021%0.212CC..Hα-helixtrans-63.1-47.2177.5-70.90000112F125 Y126 T131 K132 Y133 A138 W139F125-C129 WeakPolarHBondContact CE2-SG 3.44Å; F125-C129 PolarHBondContact O-N 2.9Å; F125-C129 VanDerWaalsContact O-N 3.08Å; F125-C129 PolarHBondContact O-SG 3.42Å; Y126-C129 PolarHBondContact O-N 3.2Å; C129-T131 VanDerWaalsContact C-N 3.27Å; C129-T131 PolarHBondContact O-N 2.88Å; C129-K132 PolarHBondContact O-N 3.47Å; C129-Y133 PolarHBondContact O-N 2.94Å; C129-A138 HydrophobicContact CB-CB 4.26Å; C129-W139 HydrophobicContact CB-CB 3.81Å
130Q95.6Very high96Very high72 Ų7245.8 Ų45.834%0.33623%0.233SC..Hα-helixtrans-59.3-40.2179.1-178.768.121.800111.3Y126 D127 G134 N135Y126-Q130 WeakPolarHBondContact O-CB 3.47Å; Y126-Q130 PolarHBondContact O-N 2.93Å; D127-Q130 PolarHBondContact O-N 3.35Å; Q130-G134 CarbonylContact O-C 3.44Å; Q130-G134 WeakPolarHBondContact O-CA 3.33Å; Q130-G134 PolarHBondContact O-N 3.09Å; Q130-N135 PolarHBondContact O-N 3.34Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å
131T94.1Very high96.1Very high75 Ų7547.9 Ų47.946%0.4624%0.241SC..Hα-helixtrans-72-41.5-179.6-580000112.2D127 E128 C129 T300D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.44Å; D127-T131 PolarHBondContact O-N 2.91Å; D127-T131 PolarHBondContact O-OG1 3.43Å; E128-T131 PolarHBondContact O-N 3.16Å; C129-T131 VanDerWaalsContact C-N 3.27Å; C129-T131 PolarHBondContact O-N 2.88Å; T131-T300 HydrophobicContact CG2-CG2 3.85Å
132K94.2Very high96.2Very high39 Ų3942.8 Ų42.817%0.1722%0.217CC..Hα-helixtrans-75.6-38.6-176.7-71.5177.4-178.1174.90113.3Y18 L90 E91 E128 C129Y18-K132 HydrophobicContact CD1-CD 3.93Å; Y18-K132 HydrophobicContact CD1-CG 4.47Å; Y18-K132 HydrophobicContact CE1-CB 4.08Å; Y18-K132 HydrophobicContact CE1-CD 3.99Å; Y18-K132 HydrophobicContact CE1-CG 4.07Å; Y18-K132 HydrophobicContact CE2-CB 4.44Å; Y18-K132 PolarHBondContact OH-O 3.24Å; L90-K132 HydrophobicContact CD2-CB 4.27Å; L90-K132 HydrophobicContact CD2-CD 3.66Å; E91-K132 WeakPolarHBondContact OE1-CE 3.19Å; E91-K132 IonicContact OE1-NZ 3.76Å; E91-K132 PolarHBondContact OE1-NZ 3.21Å; E91-K132 IonicContact OE2-NZ 2.7Å; E91-K132 PolarHBondContact OE2-NZ 3.19Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CB 3.47Å; E128-K132 WeakPolarHBondContact O-CG 3.47Å; E128-K132 PolarHBondContact O-N 2.87Å; E128-K132 IonicContact OE1-NZ 2.8Å; E128-K132 PolarHBondContact OE1-NZ 3.21Å; C129-K132 PolarHBondContact O-N 3.47Å
133Y96.3Very high96.5Very high32 Ų3238.4 Ų38.413%0.12519%0.19CC..Hα-helixtrans-101.4-7.4-179.2-68.9-82.9000114.3Y18 L19 E21 L24 L90 C129 N135 A138Y18-Y133 AromaticContact CD2-CE1 3.91Å; Y18-Y133 HydrophobicContact CD2-CE1 3.91Å; Y18-Y133 HydrophobicContact CD2-CE2 4.2Å; Y18-Y133 AromaticContact CD2-CZ 3.64Å; Y18-Y133 HydrophobicContact CE2-CE1 4.25Å; L19-Y133 WeakPolarHBondContact O-CE1 3.29Å; L19-Y133 PolarHBondContact O-OH 2.86Å; E21-Y133 HydrophobicContact CB-CD1 3.79Å; E21-Y133 HydrophobicContact CB-CE1 3.9Å; E21-Y133 HydrophobicContact CG-CD1 4.25Å; L24-Y133 HydrophobicContact CD2-CE2 4.07Å; L24-Y133 WeakPolarHBondContact CD2-OH 3.03Å; L90-Y133 HydrophobicContact CD1-CE2 4.05Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.37Å; L90-Y133 HydrophobicContact CG-CE2 4.31Å; C129-Y133 PolarHBondContact O-N 2.94Å; Y133-N135 PolarHBondContact O-N 2.88Å; Y133-N135 PolarHBondContact O-ND2 2.79Å; Y133-N135 VanDerWaalsContact O-ND2 3.1Å; Y133-A138 HydrophobicContact CD2-CB 3.26Å; Y133-A138 HydrophobicContact CE2-CB 3.31Å; Y133-A138 HydrophobicContact CG-CB 3.97Å
134G96.8Very high96.8Very high57 Ų5739.2 Ų39.259%0.58820%0.196SC*.SBendtrans72.15.1-174.700000114.2Q130Q130-G134 CarbonylContact O-C 3.44Å; Q130-G134 WeakPolarHBondContact O-CA 3.33Å; Q130-G134 PolarHBondContact O-N 3.09Å
135N97.1Very high97.1Very high44 Ų4439.2 Ų39.224%0.23520%0.196CC..SBendtrans-159.7168.7-178.674.478.1000111.6E21 Q130 Y133 N137E21-N135 PolarHBondContact OE2-ND2 3.33Å; Q130-N135 PolarHBondContact O-N 3.34Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å; Y133-N135 PolarHBondContact O-N 2.88Å; Y133-N135 PolarHBondContact O-ND2 2.79Å; Y133-N135 VanDerWaalsContact O-ND2 3.1Å; N135-N137 PolarHBondContact O-N 2.86Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 3.5Å; N135-N137 PolarHBondContact OD1-ND2 2.85Å
136A96.8Very high97.2Very high9 Ų939.2 Ų39.27%0.07420%0.196CC..SBendtrans-88.55-173.200000114.9Y126 A138 W139 R140Y126-A136 HydrophobicContact CE2-CB 4Å; A136-A138 PolarHBondContact O-N 3.19Å; A136-W139 PolarHBondContact O-N 3.12Å; A136-R140 WeakPolarHBondContact O-CG 3.49Å; A136-R140 PolarHBondContact O-N 3.14Å
137N98.3Very high97.3Very high46 Ų4636.8 Ų36.825%0.24619%0.187CC..Hα-helixtrans-63.7-43.1-174.9-69.8-20.3000112.2E21 N135 W139 R140 Y141E21-N137 WeakPolarHBondContact OE1-CB 3.45Å; E21-N137 PolarHBondContact OE1-ND2 2.87Å; N135-N137 PolarHBondContact O-N 2.86Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 3.5Å; N135-N137 PolarHBondContact OD1-ND2 2.85Å; N137-W139 VanDerWaalsContact C-N 3.31Å; N137-W139 PolarHBondContact O-N 3.15Å; N137-R140 WeakPolarHBondContact O-CA 3.32Å; N137-R140 WeakPolarHBondContact O-CB 3.24Å; N137-R140 PolarHBondContact O-N 2.9Å; N137-R140 PolarHBondContact OD1-NH1 3.37Å; N137-Y141 HydrophobicContact CB-CE1 4.47Å; N137-Y141 HydrophobicContact CB-CE2 3.79Å; N137-Y141 VanDerWaalsContact O-CD2 3.25Å; N137-Y141 WeakPolarHBondContact O-CD2 3.14Å; N137-Y141 PolarHBondContact O-N 3.37Å
138A98.2Very high97.4Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-56.5-44.9176.900000112.2L24 C129 Y133 A136 R140 Y141 C142L24-A138 HydrophobicContact CD2-CB 3.62Å; C129-A138 HydrophobicContact CB-CB 4.26Å; Y133-A138 HydrophobicContact CD2-CB 3.26Å; Y133-A138 HydrophobicContact CE2-CB 3.31Å; Y133-A138 HydrophobicContact CG-CB 3.97Å; A136-A138 PolarHBondContact O-N 3.19Å; A138-R140 PolarHBondContact O-N 2.86Å; A138-Y141 PolarHBondContact O-N 3.3Å; A138-C142 PolarHBondContact O-N 2.71Å; A138-C142 PolarHBondContact O-SG 2.82Å
139W98.6Very high97.6Very high25 Ų2534.5 Ų34.510%0.09518%0.175CC..Hα-helixtrans-62-41.4174.6173.582.8000112.1R117 T120 Q121 F125 Y126 C129 A136 N137 Y141 C142 T143R117-W139 HydrophobicContact CB-CH2 4.21Å; R117-W139 HydrophobicContact CB-CZ2 3.85Å; R117-W139 HydrophobicContact CG-CH2 4.11Å; R117-W139 HydrophobicContact CG-CZ2 3.9Å; T120-W139 PolarHBondContact OG1-NE1 2.91Å; Q121-W139 HydrophobicContact CG-CH2 4.43Å; Q121-W139 HydrophobicContact CG-CZ2 3.91Å; F125-W139 AromaticContact CD1-CD1 3.77Å; Y126-W139 HydrophobicContact CD2-CB 4.43Å; Y126-W139 AromaticContact CD2-CD2 3.52Å; Y126-W139 HydrophobicContact CD2-CD2 3.52Å; Y126-W139 AromaticContact CD2-CE2 3.72Å; Y126-W139 AromaticContact CD2-CE3 3.81Å; Y126-W139 HydrophobicContact CD2-CE3 3.81Å; Y126-W139 AromaticContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CH2 4.45Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.27Å; Y126-W139 HydrophobicContact CE2-CD2 4.09Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.2Å; C129-W139 HydrophobicContact CB-CB 3.81Å; A136-W139 PolarHBondContact O-N 3.12Å; N137-W139 VanDerWaalsContact C-N 3.31Å; N137-W139 PolarHBondContact O-N 3.15Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 2.76Å; W139-C142 PolarHBondContact O-N 2.75Å; W139-T143 HydrophobicContact CD2-CG2 4.11Å; W139-T143 HydrophobicContact CG-CG2 4.37Å; W139-T143 HydrophobicContact CZ2-CG2 4.04Å; W139-T143 WeakPolarHBondContact O-CB 3.49Å; W139-T143 VanDerWaalsContact O-CG2 3.32Å; W139-T143 WeakPolarHBondContact O-CG2 3.33Å; W139-T143 PolarHBondContact O-N 3.09Å; W139-T143 PolarHBondContact O-OG1 2.88Å
140R98.7Very high97.6Very high147 Ų14734.5 Ų34.556%0.55518%0.175SC*.Hα-helixtrans-62.8-39.1175.4-68.9174.1-178.8152-2.7112.4A136 N137 A138 T143 K144A136-R140 WeakPolarHBondContact O-CG 3.49Å; A136-R140 PolarHBondContact O-N 3.14Å; N137-R140 WeakPolarHBondContact O-CA 3.32Å; N137-R140 WeakPolarHBondContact O-CB 3.24Å; N137-R140 PolarHBondContact O-N 2.9Å; N137-R140 PolarHBondContact OD1-NH1 3.37Å; A138-R140 PolarHBondContact O-N 2.86Å; R140-T143 WeakPolarHBondContact CA-OG1 3.4Å; R140-T143 PolarHBondContact O-OG1 3.31Å; R140-K144 PolarHBondContact O-N 2.98Å
141Y98.8Very high97.8Very high45 Ų4531.1 Ų31.118%0.17616%0.159CC..Hα-helixtrans-67.5-46.5177.4-55.3-30.8000111.1E21 K25 N137 A138 W139 K144 V145E21-Y141 HydrophobicContact CG-CE2 4.12Å; K25-Y141 HydrophobicContact CB-CD2 3.74Å; K25-Y141 HydrophobicContact CB-CE2 3.58Å; K25-Y141 HydrophobicContact CB-CG 4.31Å; K25-Y141 HydrophobicContact CD-CE1 4.04Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.11Å; K25-Y141 HydrophobicContact CG-CD2 4.06Å; K25-Y141 HydrophobicContact CG-CE1 3.89Å; K25-Y141 HydrophobicContact CG-CE2 3.83Å; K25-Y141 HydrophobicContact CG-CG 4.21Å; N137-Y141 HydrophobicContact CB-CE1 4.47Å; N137-Y141 HydrophobicContact CB-CE2 3.79Å; N137-Y141 VanDerWaalsContact O-CD2 3.25Å; N137-Y141 WeakPolarHBondContact O-CD2 3.14Å; N137-Y141 PolarHBondContact O-N 3.37Å; A138-Y141 PolarHBondContact O-N 3.3Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 2.76Å; Y141-K144 WeakPolarHBondContact O-CB 3.34Å; Y141-K144 PolarHBondContact O-N 3.32Å; Y141-V145 PolarHBondContact O-N 2.89Å
142C98.8Very high98Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-63.8-42.4177.6-65.80000112.4F93 F125 A138 W139 K144 V145 F146F93-C142 HydrophobicContact CD1-CB 4.1Å; F93-C142 HydrophobicContact CE1-CB 3.97Å; F125-C142 HydrophobicContact CE1-CB 3.8Å; F125-C142 HydrophobicContact CZ-CB 3.76Å; A138-C142 PolarHBondContact O-N 2.71Å; A138-C142 PolarHBondContact O-SG 2.82Å; W139-C142 PolarHBondContact O-N 2.75Å; C142-K144 VanDerWaalsContact C-N 3.29Å; C142-K144 PolarHBondContact O-N 3.18Å; C142-V145 WeakPolarHBondContact O-CA 3.38Å; C142-V145 WeakPolarHBondContact O-CB 3.14Å; C142-V145 PolarHBondContact O-N 3.42Å; C142-F146 HydrophobicContact CB-CE1 4.42Å; C142-F146 HydrophobicContact CB-CZ 4.23Å; C142-F146 VanDerWaalsContact O-CD1 3.26Å; C142-F146 WeakPolarHBondContact O-CD1 3.26Å; C142-F146 WeakPolarHBondContact O-CG 3.46Å; C142-F146 PolarHBondContact O-N 2.98Å
143T98.6Very high98.2Very high3 Ų325.7 Ų25.72%0.01813%0.129CC..Hα-helixtrans-67-27.2178.150.90000113.6R117 W139 R140 V145 F146 D147R117-T143 HydrophobicContact CG-CG2 3.79Å; R117-T143 PolarHBondContact NH2-O 3.28Å; W139-T143 HydrophobicContact CD2-CG2 4.11Å; W139-T143 HydrophobicContact CG-CG2 4.37Å; W139-T143 HydrophobicContact CZ2-CG2 4.04Å; W139-T143 WeakPolarHBondContact O-CB 3.49Å; W139-T143 VanDerWaalsContact O-CG2 3.32Å; W139-T143 WeakPolarHBondContact O-CG2 3.33Å; W139-T143 PolarHBondContact O-N 3.09Å; W139-T143 PolarHBondContact O-OG1 2.88Å; R140-T143 WeakPolarHBondContact CA-OG1 3.4Å; R140-T143 PolarHBondContact O-OG1 3.31Å; T143-V145 VanDerWaalsContact C-N 3.34Å; T143-F146 HydrophobicContact CG2-CD2 3.7Å; T143-F146 HydrophobicContact CG2-CE2 3.78Å; T143-F146 WeakPolarHBondContact O-CB 3.28Å; T143-F146 PolarHBondContact O-N 3.15Å; T143-D147 PolarHBondContact O-N 3.37Å
144K98.5Very high98.4Very high102 Ų10224.8 Ų24.844%0.44313%0.126SC..Hα-helixtrans-65.9-37168-174.9-173.8168.9-165.20111.8D29 R140 Y141 C142D29-K144 IonicContact OD1-NZ 2.93Å; D29-K144 PolarHBondContact OD1-NZ 3.36Å; R140-K144 PolarHBondContact O-N 2.98Å; Y141-K144 WeakPolarHBondContact O-CB 3.34Å; Y141-K144 PolarHBondContact O-N 3.32Å; C142-K144 VanDerWaalsContact C-N 3.29Å; C142-K144 PolarHBondContact O-N 3.18Å
145V98.8Very high98.5Very high0 Ų022.1 Ų22.10%010%0.098CC..Hα-helixtrans-67.3-39.7173.2-176.60000110.7C28 V31 L35 F93 L97 Y141 C142 T143 D147 M148 L149C28-V145 HydrophobicContact CB-CG2 3.58Å; V31-V145 HydrophobicContact CG1-CG1 4.16Å; L35-V145 HydrophobicContact CD1-CG1 3.81Å; F93-V145 HydrophobicContact CE1-CB 4.38Å; F93-V145 HydrophobicContact CE1-CG1 4.47Å; F93-V145 HydrophobicContact CZ-CB 4.28Å; F93-V145 HydrophobicContact CZ-CG1 3.97Å; L97-V145 HydrophobicContact CD1-CG2 4.4Å; L97-V145 HydrophobicContact CD2-CG1 3.8Å; Y141-V145 PolarHBondContact O-N 2.89Å; C142-V145 WeakPolarHBondContact O-CA 3.38Å; C142-V145 WeakPolarHBondContact O-CB 3.14Å; C142-V145 PolarHBondContact O-N 3.42Å; T143-V145 VanDerWaalsContact C-N 3.34Å; V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 PolarHBondContact O-N 3Å; V145-M148 WeakPolarHBondContact O-CA 3.44Å; V145-M148 PolarHBondContact O-N 2.99Å; V145-L149 PolarHBondContact O-N 2.86Å
146F98.8Very high98.5Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-55.1-40.7179-62.8-16.7000113V83 F93 R111 E115 T120 F125 C142 T143 M148 L149V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.12Å; F93-F146 AromaticContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CZ 4.43Å; F93-F146 HydrophobicContact CD2-CE1 4.34Å; F93-F146 AromaticContact CE1-CD1 3.85Å; F93-F146 HydrophobicContact CE1-CD1 3.85Å; F93-F146 AromaticContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CZ 4.22Å; F93-F146 HydrophobicContact CE2-CD1 4.31Å; F93-F146 AromaticContact CE2-CE1 3.91Å; F93-F146 HydrophobicContact CE2-CE1 3.91Å; F93-F146 HydrophobicContact CG-CE1 4.31Å; F93-F146 AromaticContact CZ-CD1 3.6Å; F93-F146 HydrophobicContact CZ-CD1 3.6Å; F93-F146 AromaticContact CZ-CE1 3.35Å; F93-F146 HydrophobicContact CZ-CE1 3.35Å; R111-F146 VanDerWaalsContact CD-O 3.3Å; R111-F146 WeakPolarHBondContact CD-O 3.33Å; R111-F146 PolarHBondContact NE-O 3.36Å; R111-F146 VanDerWaalsContact NE-O 3.12Å; R111-F146 PolarHBondContact NH1-O 2.93Å; E115-F146 HydrophobicContact CB-CB 3.92Å; E115-F146 HydrophobicContact CB-CD1 3.76Å; E115-F146 HydrophobicContact CB-CD2 3.98Å; E115-F146 HydrophobicContact CB-CE1 4.22Å; E115-F146 HydrophobicContact CB-CE2 4.46Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.56Å; E115-F146 HydrophobicContact CG-CD2 4.4Å; E115-F146 HydrophobicContact CG-CE1 3.63Å; E115-F146 HydrophobicContact CG-CG 3.98Å; E115-F146 HydrophobicContact CG-CZ 4.14Å; E115-F146 WeakPolarHBondContact O-CB 3.42Å; T120-F146 HydrophobicContact CG2-CE2 4.18Å; F125-F146 HydrophobicContact CD1-CE2 4.21Å; F125-F146 HydrophobicContact CD1-CZ 4.11Å; F125-F146 AromaticContact CE1-CE2 3.93Å; F125-F146 HydrophobicContact CE1-CE2 3.93Å; F125-F146 AromaticContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CZ-CZ 4.33Å; C142-F146 HydrophobicContact CB-CE1 4.42Å; C142-F146 HydrophobicContact CB-CZ 4.23Å; C142-F146 VanDerWaalsContact O-CD1 3.26Å; C142-F146 WeakPolarHBondContact O-CD1 3.26Å; C142-F146 WeakPolarHBondContact O-CG 3.46Å; C142-F146 PolarHBondContact O-N 2.98Å; T143-F146 HydrophobicContact CG2-CD2 3.7Å; T143-F146 HydrophobicContact CG2-CE2 3.78Å; T143-F146 WeakPolarHBondContact O-CB 3.28Å; T143-F146 PolarHBondContact O-N 3.15Å; F146-M148 PolarHBondContact O-N 3.15Å; F146-L149 HydrophobicContact CD1-CD1 4.1Å; F146-L149 PolarHBondContact O-N 2.99Å
147D98.6Very high98.6Very high13 Ų1329.5 Ų29.57%0.0713%0.132CC..Hα-helixtrans-61.8-25.8177.4-63-20000113R111 R117 T143 V145 R181 N182 Q183R111-D147 IonicContact CZ-OD1 3.99Å; R111-D147 IonicContact NH1-OD1 2.65Å; R111-D147 IonicContact NH2-OD1 3.73Å; R111-D147 PolarHBondContact NH2-OD1 3.05Å; R117-D147 IonicContact CZ-OD1 3.66Å; R117-D147 IonicContact CZ-OD2 3.87Å; R117-D147 VanDerWaalsContact CZ-OD2 3.27Å; R117-D147 VanDerWaalsContact NH1-CG 3.3Å; R117-D147 IonicContact NH1-OD1 3.58Å; R117-D147 PolarHBondContact NH1-OD1 3.44Å; R117-D147 IonicContact NH1-OD2 3.37Å; R117-D147 PolarHBondContact NH1-OD2 3.37Å; R117-D147 IonicContact NH2-OD1 3.85Å; R117-D147 IonicContact NH2-OD2 3.75Å; R117-D147 PolarHBondContact NH2-OD2 3.25Å; T143-D147 PolarHBondContact O-N 3.37Å; V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 PolarHBondContact O-N 3Å; D147-R181 CarbonylContact O-C 3.55Å; D147-R181 VanDerWaalsContact O-C 3.31Å; D147-N182 WeakPolarHBondContact O-CA 3.36Å; D147-Q183 VanDerWaalsContact OD1-O 3.13Å
148M98.2Very high98.6Very high16 Ų1629.8 Ų29.88%0.07913%0.131CC..Hα-helixtrans-94.1-13.1-177.7-59.6-59.4-72.800113.3C32 L35 L36 V145 F146 T150 R181 N182C32-M148 HydrophobicContact CB-CG 4.41Å; L35-M148 HydrophobicContact CB-CB 3.76Å; L35-M148 HydrophobicContact CD1-CB 3.95Å; L36-M148 VanDerWaalsContact CA-CE 3.49Å; L36-M148 HydrophobicContact CB-CE 3.58Å; L36-M148 HydrophobicContact CD1-CE 3.49Å; L36-M148 VanDerWaalsContact CD1-CE 3.49Å; L36-M148 HydrophobicContact CG-CE 4.12Å; V145-M148 WeakPolarHBondContact O-CA 3.44Å; V145-M148 PolarHBondContact O-N 2.99Å; F146-M148 PolarHBondContact O-N 3.15Å; M148-T150 PolarHBondContact O-N 2.89Å; M148-R181 PolarHBondContact O-NE 3.19Å; M148-R181 PolarHBondContact O-NH2 2.9Å; M148-N182 HydrophobicContact SD-CB 3.93Å; M148-N182 PolarHBondContact SD-OD1 2.88Å
149L98.8Very high98.6Very high0 Ų029.9 Ų29.90%013%0.132CC..SBendtrans-58.6136.1-179.8-72.8174000111.2L35 F82 L109 R111 E115 V145 F146 R181L35-L149 HydrophobicContact CD1-CD2 4.02Å; F82-L149 HydrophobicContact CE2-CD1 4.07Å; L109-L149 HydrophobicContact CB-CD2 3.73Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.4Å; R111-L149 HydrophobicContact CG-CB 4.09Å; R111-L149 HydrophobicContact CG-CD1 4.26Å; E115-L149 HydrophobicContact CB-CD1 4.04Å; E115-L149 HydrophobicContact CG-CD1 3.75Å; V145-L149 PolarHBondContact O-N 2.86Å; F146-L149 HydrophobicContact CD1-CD1 4.1Å; F146-L149 PolarHBondContact O-N 2.99Å; L149-R181 WeakPolarHBondContact O-CD 3.47Å
150T97.9Very high98.6Very high0 Ų028.7 Ų28.70%013%0.128CC..BIsolated β-bridgetrans-62.9150.9-178.960.90000111.5E38 S39 Q42 L109 L110 R111 M148E38-T150 HydrophobicContact CB-CG2 3.65Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.48Å; S39-T150 WeakPolarHBondContact O-CG2 3.17Å; Q42-T150 HydrophobicContact CB-CG2 4.38Å; L109-T150 PolarHBondContact O-OG1 2.76Å; L110-T150 CarbonylContact C-O 3.53Å; L110-T150 VanDerWaalsContact CA-O 3.24Å; L110-T150 WeakPolarHBondContact CA-O 3.43Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.47Å; R111-T150 PolarHBondContact N-O 2.78Å; M148-T150 PolarHBondContact O-N 2.89Å
151V98.6Very high98.6Very high0 Ų021.7 Ų21.70%010%0.101CC..SBendtrans-85.4-37.5-174.6-177.80000111.2N40 I176 R181 F191 L194N40-V151 HydrophobicContact CB-CG2 4.46Å; N40-V151 PolarHBondContact O-N 3.23Å; N40-V151 VanDerWaalsContact O-N 3.16Å; V151-I176 HydrophobicContact CB-CG2 4.38Å; V151-I176 HydrophobicContact CG1-CG2 4.13Å; V151-R181 HydrophobicContact CG2-CB 3.96Å; V151-F191 HydrophobicContact CG1-CD2 4.32Å; V151-F191 HydrophobicContact CG1-CE2 4.31Å; V151-F191 HydrophobicContact CG2-CD2 4.3Å; V151-F191 HydrophobicContact CG2-CE2 3.83Å; V151-F191 HydrophobicContact CG2-CZ 4.35Å; V151-L194 HydrophobicContact CG1-CB 4.25Å; V151-L194 HydrophobicContact CG1-CD1 3.46Å; V151-L194 VanDerWaalsContact CG1-CD1 3.46Å
152A98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.093CC..EExtended strand (participates in β ladder)trans-147.4162.4-177.300000111.2N40 V41 Q42 L110 L160 C161 I176N40-A152 PolarHBondContact O-N 2.67Å; V41-A152 CarbonylContact C-O 3.31Å; V41-A152 WeakPolarHBondContact CA-O 3.21Å; V41-A152 HydrophobicContact CG2-CB 4.36Å; Q42-A152 PolarHBondContact N-O 2.96Å; L110-A152 VanDerWaalsContact CD2-C 3.48Å; A152-L160 HydrophobicContact CB-CD1 3.87Å; A152-C161 CarbonylContact C-O 3.59Å; A152-C161 WeakPolarHBondContact CA-O 3.23Å; A152-C161 VanDerWaalsContact CB-O 3.3Å; A152-C161 WeakPolarHBondContact CB-O 3.32Å; A152-I176 HydrophobicContact CB-CG2 4.32Å
153A98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.093CC..EExtended strand (participates in β ladder)trans-122.6152.1165.100000110.5Q42 V44 V77 T108 L110 C161Q42-A153 CarbonylContact O-C 3.5Å; Q42-A153 VanDerWaalsContact O-CA 3.23Å; Q42-A153 WeakPolarHBondContact O-CA 3.3Å; V44-A153 HydrophobicContact CG2-CB 4.03Å; V77-A153 HydrophobicContact CG1-CB 4.06Å; V77-A153 HydrophobicContact CG2-CB 4.35Å; T108-A153 HydrophobicContact CG2-CB 4.27Å; L110-A153 HydrophobicContact CD2-CB 4.04Å; A153-C161 HydrophobicContact CB-CB 4.15Å; A153-C161 PolarHBondContact N-O 3Å; A153-C161 PolarHBondContact O-N 3.42Å
154L98.9Very high98.7Very high14 Ų1419.5 Ų19.57%0.0739%0.092CC..EExtended strand (participates in β ladder)trans-125.1105.1177-174.968.5000109.1V41 Q42 V44 E157 I159 L173 L230V41-L154 HydrophobicContact CG1-CB 3.74Å; Q42-L154 PolarHBondContact O-N 3.15Å; V44-L154 PolarHBondContact N-O 2.82Å; L154-E157 HydrophobicContact CD2-CB 4.43Å; L154-I159 WeakPolarHBondContact CA-O 3.21Å; L154-L173 HydrophobicContact CD1-CD1 3.99Å; L154-L173 HydrophobicContact CD2-CD1 3.95Å; L154-L230 HydrophobicContact CD1-CD2 3.69Å
155I98.8Very high98.6Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-85.3121.9-178.2-55.2162.6000108.9V44 T46 V48 V50 E157 Q158 I159 C161 F274V44-I155 HydrophobicContact CB-CG1 4.09Å; V44-I155 HydrophobicContact CG1-CG1 4.24Å; V44-I155 CarbonylContact O-C 3.57Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.41Å; T46-I155 HydrophobicContact CG2-CG2 3.57Å; V48-I155 HydrophobicContact CG1-CD1 3.74Å; V48-I155 HydrophobicContact CG1-CG1 4.1Å; V48-I155 HydrophobicContact CG1-CG2 3.77Å; V50-I155 HydrophobicContact CG2-CD1 3.62Å; I155-E157 PolarHBondContact O-N 2.98Å; I155-Q158 PolarHBondContact O-N 2.94Å; I155-I159 HydrophobicContact CB-CB 4.16Å; I155-I159 HydrophobicContact CD1-CG2 4.42Å; I155-I159 PolarHBondContact N-O 2.8Å; I155-I159 PolarHBondContact O-N 3Å; I155-I159 VanDerWaalsContact O-N 3.1Å; I155-C161 VanDerWaalsContact CD1-SG 3.59Å; I155-F274 HydrophobicContact CD1-CD2 4.41Å
156D98.5Very high98.6Very high53 Ų5314.7 Ų14.728%0.2837%0.072SC..THydrogen-bonded Turntrans45.337.3179.6-63.9-18.5000113.2V44 A45 T46 Q158 V277V44-D156 PolarHBondContact O-N 2.86Å; A45-D156 WeakPolarHBondContact CA-OD1 3.38Å; T46-D156 VanDerWaalsContact CB-OD2 3.3Å; T46-D156 WeakPolarHBondContact CB-OD2 3.45Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.41Å; T46-D156 PolarHBondContact N-OD1 2.61Å; T46-D156 PolarHBondContact OG1-OD2 2.83Å; D156-Q158 WeakPolarHBondContact O-CG 3.14Å; D156-Q158 PolarHBondContact O-N 3.44Å; D156-V277 HydrophobicContact CB-CG1 3.34Å
157E98.3Very high98.6Very high156 Ų15614.8 Ų14.873%0.7297%0.072SC*.THydrogen-bonded Turntrans60.45.6-179.1-55-173.313900116.1L154 I155L154-E157 HydrophobicContact CD2-CB 4.43Å; I155-E157 PolarHBondContact O-N 2.98Å
158Q98.4Very high98.6Very high51 Ų5116.2 Ų16.224%0.2388%0.082CC..THydrogen-bonded Turntrans-127.3-14.6-170.3-69-170.5-10.100114.8I155 D156 L230 K231 V277I155-Q158 PolarHBondContact O-N 2.94Å; D156-Q158 WeakPolarHBondContact O-CG 3.14Å; D156-Q158 PolarHBondContact O-N 3.44Å; Q158-L230 CarbonylContact O-C 3.6Å; Q158-L230 WeakPolarHBondContact O-CA 3.18Å; Q158-K231 HydrophobicContact CB-CD 4.44Å; Q158-K231 HydrophobicContact CB-CG 4.42Å; Q158-K231 PolarHBondContact O-N 2.91Å; Q158-K231 VanDerWaalsContact OE1-CD 3.28Å; Q158-V277 HydrophobicContact CB-CB 4.5Å; Q158-V277 HydrophobicContact CB-CG1 4Å; Q158-V277 HydrophobicContact CG-CG1 4.47Å
159I98.8Very high98.6Very high2 Ų220.1 Ų20.11%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-123.8114.4179.2-56.2158.7000108.9L154 I155 L232 C234 F274L154-I159 WeakPolarHBondContact CA-O 3.21Å; I155-I159 HydrophobicContact CB-CB 4.16Å; I155-I159 HydrophobicContact CD1-CG2 4.42Å; I155-I159 PolarHBondContact N-O 2.8Å; I155-I159 PolarHBondContact O-N 3Å; I155-I159 VanDerWaalsContact O-N 3.1Å; I159-L232 WeakPolarHBondContact CA-O 3.25Å; I159-L232 HydrophobicContact CG1-CB 4.25Å; I159-L232 HydrophobicContact CG2-CB 4.18Å; I159-L232 HydrophobicContact CG2-CD2 4.06Å; I159-L232 HydrophobicContact CG2-CG 4.28Å; I159-C234 HydrophobicContact CG2-CB 4.35Å; I159-F274 HydrophobicContact CD1-CD1 3.52Å; I159-F274 HydrophobicContact CD1-CE1 3.51Å; I159-F274 HydrophobicContact CD1-CG 4.25Å; I159-F274 HydrophobicContact CD1-CZ 4.24Å; I159-F274 HydrophobicContact CG2-CZ 4.31Å
160L98.9Very high98.6Very high1 Ų120.5 Ų20.51%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-85.6125.8175.317563.7000109.4A152 L173 F224 L230 L232 I233 C234A152-L160 HydrophobicContact CB-CD1 3.87Å; L160-L173 HydrophobicContact CD1-CD2 3.8Å; L160-L173 HydrophobicContact CD2-CD2 4.02Å; L160-L173 HydrophobicContact CG-CD2 4.39Å; L160-F224 HydrophobicContact CD2-CE1 3.67Å; L160-F224 HydrophobicContact CD2-CZ 4.13Å; L160-L230 HydrophobicContact CB-CD1 3.79Å; L160-L230 HydrophobicContact CB-CD2 4.46Å; L160-L230 HydrophobicContact CD2-CD1 4.34Å; L160-L232 PolarHBondContact N-O 3.5Å; L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.49Å; L160-I233 CarbonylContact O-C 3.58Å; L160-I233 WeakPolarHBondContact O-CA 3.32Å; L160-C234 PolarHBondContact O-N 2.84Å
161C98.9Very high98.6Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-105.5128.1168.9-67.10000109.8V77 M79 L110 A152 A153 I155 C234V77-C161 HydrophobicContact CG1-CB 4.14Å; M79-C161 HydrophobicContact CG-CB 4.39Å; M79-C161 HydrophobicContact SD-CB 4.2Å; L110-C161 HydrophobicContact CD1-CB 4.02Å; L110-C161 WeakPolarHBondContact CD1-O 3.12Å; A152-C161 CarbonylContact C-O 3.59Å; A152-C161 WeakPolarHBondContact CA-O 3.23Å; A152-C161 VanDerWaalsContact CB-O 3.3Å; A152-C161 WeakPolarHBondContact CB-O 3.32Å; A153-C161 HydrophobicContact CB-CB 4.15Å; A153-C161 PolarHBondContact N-O 3Å; A153-C161 PolarHBondContact O-N 3.42Å; I155-C161 VanDerWaalsContact CD1-SG 3.59Å; C161-C234 VanDerWaalsContact CA-O 3.3Å; C161-C234 WeakPolarHBondContact CA-O 3.44Å
162V98.8Very high98.5Very high1 Ų128.8 Ų28.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-147.2150.8176.6680000109.2L194 I233 C234 R235V162-L194 HydrophobicContact CG2-CB 4.04Å; V162-L194 HydrophobicContact CG2-CD2 4.18Å; V162-L194 VanDerWaalsContact CG2-O 3.25Å; V162-L194 WeakPolarHBondContact CG2-O 3.1Å; V162-I233 HydrophobicContact CG1-CG2 4.42Å; V162-C234 PolarHBondContact N-O 2.7Å; V162-R235 HydrophobicContact CG1-CB 4.38Å; V162-R235 WeakPolarHBondContact O-CA 3.35Å; V162-R235 WeakPolarHBondContact O-CB 3.25Å
163H98.9Very high98.5Very high0 Ų029.4 Ų29.40%015%0.148CC..SBendtrans-62.6-63.6179.3-173.754.2000112.8D53 M79 D81 G112 N113 V195 R235 A236 H237D53-H163 IonicContact OD1-CE1 2.73Å; D53-H163 IonicContact OD2-CE1 3.19Å; M79-H163 WeakPolarHBondContact O-CA 3.46Å; M79-H163 WeakPolarHBondContact O-CB 3.3Å; M79-H163 PolarHBondContact O-ND1 3.06Å; M79-H163 VanDerWaalsContact O-ND1 3.12Å; D81-H163 IonicContact OD1-CD2 2.91Å; D81-H163 IonicContact OD1-CE1 2.72Å; D81-H163 IonicContact OD1-NE2 3.96Å; D81-H163 PolarHBondContact OD1-NE2 3.5Å; D81-H163 VanDerWaalsContact OD1-NE2 3.14Å; D81-H163 IonicContact OD2-CE1 3.8Å; D81-H163 PolarHBondContact OD2-CE1 3.02Å; D81-H163 IonicContact OD2-NE2 3.55Å; D81-H163 PolarHBondContact OD2-NE2 3.12Å; G112-H163 WeakPolarHBondContact CA-CD2 3.34Å; G112-H163 VanDerWaalsContact CA-CG 3.49Å; N113-H163 PolarHBondContact N-CD2 3.28Å; N113-H163 VanDerWaalsContact N-CD2 3.3Å; N113-H163 PolarHBondContact OD1-CD2 3.46Å; N113-H163 PolarHBondContact OD1-NE2 2.95Å; H163-V195 PolarHBondContact CD2-O 3.09Å; H163-V195 VanDerWaalsContact CD2-O 3.31Å; H163-R235 PolarHBondContact O-NH2 3.42Å; H163-A236 PolarHBondContact O-N 2.97Å; H163-H237 AromaticContact NE2-CG 3.91Å; H163-H237 AromaticContact NE2-ND1 3.52Å
164G98.8Very high98.5Very high0 Ų033.9 Ų33.90%017%0.172CC..SBendtrans-79.7-97.4-176.900000111.4L194 S197 R235G164-L194 CarbonylContact C-O 3.51Å; G164-L194 WeakPolarHBondContact CA-O 3.29Å; G164-L194 PolarHBondContact N-O 2.97Å; G164-S197 CarbonylContact C-O 3.54Å; G164-S197 WeakPolarHBondContact CA-O 3.33Å; G164-R235 VanDerWaalsContact C-NH2 3.26Å; G164-R235 WeakPolarHBondContact O-CB 3.46Å; G164-R235 VanDerWaalsContact O-CD 3.28Å; G164-R235 WeakPolarHBondContact O-CD 3.36Å; G164-R235 PolarHBondContact O-NE 2.64Å; G164-R235 VanDerWaalsContact O-NE 3.09Å; G164-R235 PolarHBondContact O-NH2 2.98Å
165G97.9Very high98.5Very high0 Ų036.6 Ų36.60%019%0.185CC..  trans-172.6-143-176.700000112.2L194 S197G165-L194 PolarHBondContact N-O 2.88Å; G165-L194 VanDerWaalsContact N-O 3.12Å; G165-L194 VanDerWaalsContact O-CD2 3.32Å; G165-L194 WeakPolarHBondContact O-CD2 3.3Å; G165-S197 PolarHBondContact N-O 2.91Å
166L98.7Very high98.5Very high2 Ų236.7 Ų36.71%0.0119%0.185CC..  trans-88.9162.2-175.1-58.8179.4000111.8S197 W205 F216 V220 F224 I233L166-S197 WeakPolarHBondContact O-CB 3.35Å; L166-S197 PolarHBondContact O-OG 3.21Å; L166-W205 HydrophobicContact CB-CH2 3.73Å; L166-W205 HydrophobicContact CB-CZ3 4.36Å; L166-F216 HydrophobicContact CB-CD2 4.42Å; L166-F216 HydrophobicContact CB-CG 4.41Å; L166-F216 HydrophobicContact CD1-CD2 4.12Å; L166-F216 HydrophobicContact CD1-CE2 4.17Å; L166-F216 HydrophobicContact CG-CD2 4.34Å; L166-F216 HydrophobicContact CG-CE2 4.15Å; L166-F216 HydrophobicContact CG-CZ 4.47Å; L166-V220 HydrophobicContact CB-CG1 4.46Å; L166-V220 HydrophobicContact CD1-CG1 3.89Å; L166-F224 HydrophobicContact CD1-CB 3.83Å; L166-F224 HydrophobicContact CD1-CG 4.05Å; L166-F224 HydrophobicContact CD2-CD1 3.84Å; L166-F224 HydrophobicContact CD2-CD2 4Å; L166-F224 HydrophobicContact CD2-CE1 3.98Å; L166-F224 HydrophobicContact CD2-CE2 4.12Å; L166-F224 HydrophobicContact CD2-CG 3.85Å; L166-F224 HydrophobicContact CD2-CZ 4.11Å; L166-I233 HydrophobicContact CD1-CD1 4Å; L166-I233 HydrophobicContact CD2-CD1 4Å; L166-I233 HydrophobicContact CG-CD1 4.32Å
167S98.6Very high98.5Very high1 Ų139.1 Ų39.11%0.00719%0.19CC..  trans-123.2141.7174.2176.60000110.5D169 I170 D193S167-D169 PolarHBondContact O-N 3.43Å; S167-D169 PolarHBondContact OG-N 3.13Å; S167-D169 VanDerWaalsContact OG-N 3.15Å; S167-I170 PolarHBondContact O-N 3.43Å; S167-I170 VanDerWaalsContact O-N 3.13Å; S167-I170 VanDerWaalsContact O-O 3.11Å; S167-D193 WeakPolarHBondContact CB-OD2 3.23Å; S167-D193 PolarHBondContact OG-OD2 3.37Å
168P98.2Very high98.4Very high43 Ų4337.1 Ų37.128%0.27919%0.189SC..THydrogen-bonded Turntrans-62.3-21.4171.126.4-34.8000113.1I170 W205 W214P168-I170 VanDerWaalsContact C-N 3.33Å; P168-W205 VanDerWaalsContact CA-CZ2 3.49Å; P168-W205 HydrophobicContact CB-CD2 4.24Å; P168-W205 HydrophobicContact CB-CZ2 4.07Å; P168-W205 VanDerWaalsContact N-CH2 3.31Å; P168-W214 VanDerWaalsContact CD-CD1 3.46Å; P168-W214 HydrophobicContact CG-CD2 4.21Å; P168-W214 HydrophobicContact CG-CG 4.29Å; P168-W214 HydrophobicContact CG-CZ2 4.23Å
169D97.7Very high98.4Very high99 Ų9935.7 Ų35.753%0.52918%0.183SC..THydrogen-bonded Turntrans-83.9-9.5178.6-65.2-26.6000112.8S167 Q175 A190S167-D169 PolarHBondContact O-N 3.43Å; S167-D169 PolarHBondContact OG-N 3.13Å; S167-D169 VanDerWaalsContact OG-N 3.15Å; D169-Q175 PolarHBondContact O-NE2 3.13Å; D169-A190 HydrophobicContact CB-CB 4.24Å
170I98.3Very high98.3Very high8 Ų841.3 Ų41.34%0.04121%0.209CC..  trans-120.2112-175.5-59.1170000109.7S167 P168 T172 Q175 I176 I179 A190 L194 F224S167-I170 PolarHBondContact O-N 3.43Å; S167-I170 VanDerWaalsContact O-N 3.13Å; S167-I170 VanDerWaalsContact O-O 3.11Å; P168-I170 VanDerWaalsContact C-N 3.33Å; I170-T172 WeakPolarHBondContact CG2-O 3.4Å; I170-Q175 HydrophobicContact CG2-CB 4.16Å; I170-I176 HydrophobicContact CD1-CG1 4.12Å; I170-I176 HydrophobicContact CG2-CD1 4.19Å; I170-I176 HydrophobicContact CG2-CG1 3.6Å; I170-I179 HydrophobicContact CD1-CD1 4.32Å; I170-A190 HydrophobicContact CD1-CB 3.72Å; I170-A190 HydrophobicContact CG1-CB 3.86Å; I170-L194 HydrophobicContact CD1-CD1 3.58Å; I170-L194 HydrophobicContact CD1-CD2 3.74Å; I170-L194 HydrophobicContact CD1-CG 3.63Å; I170-F224 HydrophobicContact CG2-CE2 4.02Å
171K97.9Very high98.3Very high128 Ų12842.1 Ų42.156%0.55721%0.212SC*.SBendtrans-102.5-26.4172.8-59.4-172.6180-170.70112.6N228K171-N228 PolarHBondContact O-ND2 3.28Å
172T98.4Very high98.2Very high46 Ų4646.4 Ų46.428%0.28224%0.235SC..SBendtrans-128.4153.1-174.962.80000112.6I170 D174 Q175 I227 N228I170-T172 WeakPolarHBondContact CG2-O 3.4Å; T172-D174 PolarHBondContact O-N 3.49Å; T172-Q175 PolarHBondContact O-N 2.8Å; T172-Q175 VanDerWaalsContact O-N 3.16Å; T172-Q175 PolarHBondContact OG1-OE1 3.1Å; T172-I227 HydrophobicContact CG2-CG2 3.98Å; T172-N228 WeakPolarHBondContact CA-OD1 3.46Å
173L98.5Very high98.1Very high12 Ų1250.2 Ų50.26%0.06325%0.252CS..Hα-helixtrans-58.9-31.4173.9-65.5174.1000112.5L154 L160 Q175 I176 R177 F224 N228 L230L154-L173 HydrophobicContact CD1-CD1 3.99Å; L154-L173 HydrophobicContact CD2-CD1 3.95Å; L160-L173 HydrophobicContact CD1-CD2 3.8Å; L160-L173 HydrophobicContact CD2-CD2 4.02Å; L160-L173 HydrophobicContact CG-CD2 4.39Å; L173-Q175 VanDerWaalsContact C-N 3.27Å; L173-Q175 PolarHBondContact O-N 3.27Å; L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 WeakPolarHBondContact O-CB 3.28Å; L173-I176 PolarHBondContact O-N 3.12Å; L173-I176 VanDerWaalsContact O-N 3.11Å; L173-R177 PolarHBondContact O-N 3.3Å; L173-R177 VanDerWaalsContact O-N 3.15Å; L173-F224 HydrophobicContact CD2-CE1 4.41Å; L173-F224 HydrophobicContact CD2-CZ 4.31Å; L173-N228 HydrophobicContact CD1-CB 4.25Å; L173-N228 HydrophobicContact CG-CB 4.12Å; L173-N228 PolarHBondContact N-OD1 2.94Å; L173-L230 HydrophobicContact CD1-CD2 4.31Å
174D98.1Very high98.1Very high95 Ų9552.1 Ų52.151%0.50826%0.261SS..Hα-helixtrans-62.3-34.3177.4-72.7-33.3000112.6T172 I176 R177 T178T172-D174 PolarHBondContact O-N 3.49Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 3.2Å; D174-R177 WeakPolarHBondContact O-CB 3.21Å; D174-R177 PolarHBondContact O-N 2.99Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 3.73Å; D174-R177 IonicContact OD1-NH1 2.64Å; D174-R177 PolarHBondContact OD1-NH1 2.83Å; D174-T178 PolarHBondContact O-N 2.93Å
175Q98.6Very high98.1Very high71 Ų7152.5 Ų52.533%0.33226%0.263SS..Hα-helixtrans-65.7-35.6175.6-67.9172.2-77.800111.5D169 I170 T172 L173 R177 T178D169-Q175 PolarHBondContact O-NE2 3.13Å; I170-Q175 HydrophobicContact CG2-CB 4.16Å; T172-Q175 PolarHBondContact O-N 2.8Å; T172-Q175 VanDerWaalsContact O-N 3.16Å; T172-Q175 PolarHBondContact OG1-OE1 3.1Å; L173-Q175 VanDerWaalsContact C-N 3.27Å; L173-Q175 PolarHBondContact O-N 3.27Å; Q175-R177 VanDerWaalsContact C-N 3.31Å; Q175-R177 PolarHBondContact O-N 3.35Å; Q175-T178 PolarHBondContact O-N 3.23Å; Q175-T178 PolarHBondContact O-OG1 2.89Å
176I98.7Very high98.1Very high1 Ų154.4 Ų54.41%0.00528%0.276CS..Hα-helixtrans-63.4-40.4172.7-51.8178.7000110.2N40 V41 V151 A152 I170 L173 D174 T178 I179 L194N40-I176 WeakPolarHBondContact CB-O 3.4Å; V41-I176 HydrophobicContact CG2-CB 3.65Å; V41-I176 HydrophobicContact CG2-CG2 3.52Å; V151-I176 HydrophobicContact CB-CG2 4.38Å; V151-I176 HydrophobicContact CG1-CG2 4.13Å; A152-I176 HydrophobicContact CB-CG2 4.32Å; I170-I176 HydrophobicContact CD1-CG1 4.12Å; I170-I176 HydrophobicContact CG2-CD1 4.19Å; I170-I176 HydrophobicContact CG2-CG1 3.6Å; L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 WeakPolarHBondContact O-CB 3.28Å; L173-I176 PolarHBondContact O-N 3.12Å; L173-I176 VanDerWaalsContact O-N 3.11Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 3.2Å; I176-T178 PolarHBondContact O-N 3.38Å; I176-I179 HydrophobicContact CG2-CD1 4.27Å; I176-I179 WeakPolarHBondContact O-CB 3.37Å; I176-I179 WeakPolarHBondContact O-CG1 3.45Å; I176-I179 PolarHBondContact O-N 3.49Å; I176-L194 HydrophobicContact CD1-CD2 4.24Å; I176-L194 HydrophobicContact CG1-CD1 4.23Å; I176-L194 HydrophobicContact CG2-CD1 3.88Å
177R98.3Very high97.9Very high104 Ų10460.7 Ų60.739%0.39231%0.305SS..Hα-helixtrans-59.2-31.1178.3-65.7176.2178.1126.80.1112.8N40 V41 L173 D174 Q175N40-R177 PolarHBondContact ND2-O 2.83Å; V41-R177 HydrophobicContact CB-CG 4Å; V41-R177 HydrophobicContact CG2-CG 3.71Å; L173-R177 PolarHBondContact O-N 3.3Å; L173-R177 VanDerWaalsContact O-N 3.15Å; D174-R177 WeakPolarHBondContact O-CB 3.21Å; D174-R177 PolarHBondContact O-N 2.99Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 3.73Å; D174-R177 IonicContact OD1-NH1 2.64Å; D174-R177 PolarHBondContact OD1-NH1 2.83Å; Q175-R177 VanDerWaalsContact C-N 3.31Å; Q175-R177 PolarHBondContact O-N 3.35Å
178T97.8Very high97.7Very high114 Ų11469 Ų6970%0.69934%0.341SS*.THydrogen-bonded Turntrans-83.9-2.2-178.761.70000115.8D174 Q175 I176 E180D174-T178 PolarHBondContact O-N 2.93Å; Q175-T178 PolarHBondContact O-N 3.23Å; Q175-T178 PolarHBondContact O-OG1 2.89Å; I176-T178 PolarHBondContact O-N 3.38Å; T178-E180 PolarHBondContact O-N 3.33Å
179I98Very high97.7Very high21 Ų2168.1 Ų68.111%0.10834%0.34CS..  trans-64.6129.6179.9-68.2174.2000110.5N40 I170 I176 R181 F191 L194N40-I179 PolarHBondContact ND2-O 2.87Å; I170-I179 HydrophobicContact CD1-CD1 4.32Å; I176-I179 HydrophobicContact CG2-CD1 4.27Å; I176-I179 WeakPolarHBondContact O-CB 3.37Å; I176-I179 WeakPolarHBondContact O-CG1 3.45Å; I176-I179 PolarHBondContact O-N 3.49Å; I179-R181 PolarHBondContact O-N 2.99Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.87Å; I179-F191 HydrophobicContact CG2-CD1 4.01Å; I179-F191 HydrophobicContact CG2-CD2 4.31Å; I179-F191 HydrophobicContact CG2-CG 3.82Å; I179-L194 HydrophobicContact CD1-CD1 3.42Å; I179-L194 VanDerWaalsContact CD1-CD1 3.42Å
180E97.3Very high97.7Very high121 Ų12164.6 Ų64.657%0.56532%0.324SS*.  trans-71.998.9165.7178.553.5-100.600108.2T178 N182 Q183T178-E180 PolarHBondContact O-N 3.33Å; E180-N182 PolarHBondContact OE1-N 3.35Å; E180-N182 VanDerWaalsContact OE1-N 3.16Å; E180-Q183 WeakPolarHBondContact O-CG 3.23Å; E180-Q183 PolarHBondContact O-NE2 3.12Å
181R97.1Very high97.7Very high18 Ų1864.6 Ų64.67%0.06832%0.324CS..  trans-86.5-24.1-17572.6160.1-178.3-102.15.8113.7L35 E38 S39 N40 R111 D147 M148 L149 V151 I179 Q183 F191L35-R181 PolarHBondContact O-NH2 3.04Å; E38-R181 VanDerWaalsContact O-CZ 3.32Å; E38-R181 PolarHBondContact O-NH1 3Å; E38-R181 PolarHBondContact O-NH2 3.23Å; S39-R181 PolarHBondContact O-NH1 2.97Å; N40-R181 VanDerWaalsContact CA-NH1 3.31Å; N40-R181 WeakPolarHBondContact OD1-CB 3.33Å; N40-R181 WeakPolarHBondContact OD1-CD 3.47Å; N40-R181 WeakPolarHBondContact OD1-CG 3.43Å; N40-R181 PolarHBondContact OD1-NH1 2.8Å; R111-R181 PolarHBondContact NH1-O 2.7Å; D147-R181 CarbonylContact O-C 3.55Å; D147-R181 VanDerWaalsContact O-C 3.31Å; M148-R181 PolarHBondContact O-NE 3.19Å; M148-R181 PolarHBondContact O-NH2 2.9Å; L149-R181 WeakPolarHBondContact O-CD 3.47Å; V151-R181 HydrophobicContact CG2-CB 3.96Å; I179-R181 PolarHBondContact O-N 2.99Å; R181-Q183 PolarHBondContact O-N 2.81Å; R181-F191 HydrophobicContact CB-CE1 4.4Å; R181-F191 HydrophobicContact CB-CZ 4.3Å
182N97.6Very high97.7Very high90 Ų9058.6 Ų58.648%0.48130%0.298SS..SBendtrans-77.161.6-174.7-17516.7000111.7D147 M148 E180D147-N182 WeakPolarHBondContact O-CA 3.36Å; M148-N182 HydrophobicContact SD-CB 3.93Å; M148-N182 PolarHBondContact SD-OD1 2.88Å; E180-N182 PolarHBondContact OE1-N 3.35Å; E180-N182 VanDerWaalsContact OE1-N 3.16Å
183Q97.7Very high97.7Very high80 Ų8056.6 Ų56.637%0.37429%0.285SS..SBendtrans-158168.2179.358.3179-4200109.4R111 D147 E180 R181R111-Q183 PolarHBondContact NH1-O 3.02Å; R111-Q183 PolarHBondContact NH2-O 3.14Å; D147-Q183 VanDerWaalsContact OD1-O 3.13Å; E180-Q183 WeakPolarHBondContact O-CG 3.23Å; E180-Q183 PolarHBondContact O-NE2 3.12Å; R181-Q183 PolarHBondContact O-N 2.81Å
184E98.1Very high97.8Very high40 Ų4056.1 Ų56.119%0.18728%0.283CS..PPolyproline II helixtrans-60.5146165.8-17560.7-154.900110.5S116 R117 P186S116-E184 VanDerWaalsContact CA-OE1 3.32Å; S116-E184 WeakPolarHBondContact CA-OE1 3.47Å; S116-E184 VanDerWaalsContact CB-OE1 3.25Å; S116-E184 WeakPolarHBondContact CB-OE1 3.42Å; S116-E184 PolarHBondContact OG-OE1 2.82Å; R117-E184 WeakPolarHBondContact CB-OE2 3.39Å; R117-E184 WeakPolarHBondContact CD-OE2 3.35Å; R117-E184 VanDerWaalsContact CG-OE2 3.23Å; R117-E184 WeakPolarHBondContact CG-OE2 3.38Å; R117-E184 IonicContact CZ-OE2 3.09Å; R117-E184 PolarHBondContact N-OE1 2.64Å; R117-E184 PolarHBondContact N-OE2 2.86Å; R117-E184 IonicContact NE-OE2 3.52Å; R117-E184 IonicContact NH1-OE2 3.95Å; R117-E184 PolarHBondContact NH1-OE2 2.89Å; E184-P186 VanDerWaalsContact O-CD 3.25Å; E184-P186 WeakPolarHBondContact O-CD 3.34Å; E184-P186 VanDerWaalsContact O-N 3.16Å
185I98.2Very high97.8Very high8 Ų851.6 Ų51.64%0.04126%0.259CS..PPolyproline II helixtrans-58.3120.1177.1-55.8177.9000108.8R111 V195R111-I185 HydrophobicContact CG-CD1 4.48Å; I185-V195 HydrophobicContact CD1-CG2 4.19Å; I185-V195 HydrophobicContact CG2-CG2 3.87Å
186P97.6Very high97.8Very high41 Ų4150.3 Ų50.327%0.26625%0.251SS..PPolyproline II helixtrans-63.2156.8178-23.134.4000111.8E184 K188 F191 C192E184-P186 VanDerWaalsContact O-CD 3.25Å; E184-P186 WeakPolarHBondContact O-CD 3.34Å; E184-P186 VanDerWaalsContact O-N 3.16Å; P186-K188 PolarHBondContact O-N 3.46Å; P186-F191 HydrophobicContact CG-CD1 4.39Å; P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.44Å; P186-C192 PolarHBondContact O-SG 2.92Å
187H94.8Very high97.8Very high133 Ų13350.2 Ų50.262%0.61625%0.25SS*.SBendtrans-70.8-15176.4-64.2-77.4000114.1Q118 C192Q118-H187 VanDerWaalsContact CD-CE1 3.5Å; Q118-H187 PolarHBondContact NE2-CE1 2.83Å; Q118-H187 PolarHBondContact NE2-NE2 2.99Å; Q118-H187 VanDerWaalsContact NE2-NE2 3.19Å; Q118-H187 PolarHBondContact OE1-CE1 3.47Å; H187-C192 PolarHBondContact O-SG 2.76Å
188K95.4Very high97.8Very high177 Ų17745.5 Ų45.577%0.7723%0.233SC*.SBendtrans-157.4165.6-178.164178.6-179178.20112.1P186P186-K188 PolarHBondContact O-N 3.46Å
189G97.5Very high97.8Very high24 Ų2440.2 Ų40.225%0.24720%0.201CC..SBendtrans91.4176.3176.500000112.4F191 C192 D193G189-F191 VanDerWaalsContact C-N 3.32Å; G189-F191 PolarHBondContact O-N 2.87Å; G189-C192 WeakPolarHBondContact O-CA 3.36Å; G189-C192 VanDerWaalsContact O-CB 3.27Å; G189-C192 WeakPolarHBondContact O-CB 3.37Å; G189-C192 PolarHBondContact O-N 2.95Å; G189-D193 PolarHBondContact O-N 3.19Å
190A97.7Very high97.8Very high24 Ų2443 Ų4320%0.19821%0.213CC..Hα-helixtrans-34.2-53.6-174.800000116.1D169 I170 D193 L194D169-A190 HydrophobicContact CB-CB 4.24Å; I170-A190 HydrophobicContact CD1-CB 3.72Å; I170-A190 HydrophobicContact CG1-CB 3.86Å; A190-D193 PolarHBondContact O-N 3.32Å; A190-L194 WeakPolarHBondContact O-CG 3.48Å; A190-L194 PolarHBondContact O-N 2.77Å
191F98.4Very high97.7Very high9 Ų943.5 Ų43.54%0.03922%0.22CC..Hα-helixtrans-67-41.6-178-170.7-167.4000112.7V151 I179 R181 P186 G189 D193 V195V151-F191 HydrophobicContact CG1-CD2 4.32Å; V151-F191 HydrophobicContact CG1-CE2 4.31Å; V151-F191 HydrophobicContact CG2-CD2 4.3Å; V151-F191 HydrophobicContact CG2-CE2 3.83Å; V151-F191 HydrophobicContact CG2-CZ 4.35Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.87Å; I179-F191 HydrophobicContact CG2-CD1 4.01Å; I179-F191 HydrophobicContact CG2-CD2 4.31Å; I179-F191 HydrophobicContact CG2-CG 3.82Å; R181-F191 HydrophobicContact CB-CE1 4.4Å; R181-F191 HydrophobicContact CB-CZ 4.3Å; P186-F191 HydrophobicContact CG-CD1 4.39Å; G189-F191 VanDerWaalsContact C-N 3.32Å; G189-F191 PolarHBondContact O-N 2.87Å; F191-D193 VanDerWaalsContact C-N 3.34Å; F191-D193 PolarHBondContact O-N 2.84Å; F191-V195 HydrophobicContact CE2-CG1 4.43Å
192C98.6Very high97.7Very high1 Ų144.7 Ų44.71%0.00723%0.229CC..Hα-helixtrans-59.2-48173.9-177.10000110.7P186 H187 G189 L194 V195 W196P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.44Å; P186-C192 PolarHBondContact O-SG 2.92Å; H187-C192 PolarHBondContact O-SG 2.76Å; G189-C192 WeakPolarHBondContact O-CA 3.36Å; G189-C192 VanDerWaalsContact O-CB 3.27Å; G189-C192 WeakPolarHBondContact O-CB 3.37Å; G189-C192 PolarHBondContact O-N 2.95Å; C192-L194 PolarHBondContact O-N 3.37Å; C192-V195 VanDerWaalsContact O-CG2 3.28Å; C192-V195 WeakPolarHBondContact O-CG2 3.39Å; C192-V195 PolarHBondContact O-N 3.22Å; C192-W196 WeakPolarHBondContact O-CB 3.39Å; C192-W196 VanDerWaalsContact O-CD1 3.3Å; C192-W196 PolarHBondContact O-N 3.45Å; C192-W196 VanDerWaalsContact SG-CD1 3.58Å
193D98.7Very high97.6Very high4 Ų445.1 Ų45.12%0.02123%0.231CC..Hα-helixtrans-63.1-41-176.2-59.7-19.6000112S167 G189 A190 F191 V195 W196 S197S167-D193 WeakPolarHBondContact CB-OD2 3.23Å; S167-D193 PolarHBondContact OG-OD2 3.37Å; G189-D193 PolarHBondContact O-N 3.19Å; A190-D193 PolarHBondContact O-N 3.32Å; F191-D193 VanDerWaalsContact C-N 3.34Å; F191-D193 PolarHBondContact O-N 2.84Å; D193-V195 PolarHBondContact O-N 3.01Å; D193-V195 VanDerWaalsContact O-N 3.15Å; D193-W196 PolarHBondContact O-N 3.27Å; D193-S197 WeakPolarHBondContact O-CB 3.08Å; D193-S197 PolarHBondContact O-N 2.87Å; D193-S197 PolarHBondContact O-OG 3.44Å
194L98.8Very high97.6Very high3 Ų344.7 Ų44.72%0.01623%0.234CC..Hα-helixtrans-59.6-28.3179-72.1174.6000113V151 V162 G164 G165 I170 I176 I179 A190 C192V151-L194 HydrophobicContact CG1-CB 4.25Å; V151-L194 HydrophobicContact CG1-CD1 3.46Å; V151-L194 VanDerWaalsContact CG1-CD1 3.46Å; V162-L194 HydrophobicContact CG2-CB 4.04Å; V162-L194 HydrophobicContact CG2-CD2 4.18Å; V162-L194 VanDerWaalsContact CG2-O 3.25Å; V162-L194 WeakPolarHBondContact CG2-O 3.1Å; G164-L194 CarbonylContact C-O 3.51Å; G164-L194 WeakPolarHBondContact CA-O 3.29Å; G164-L194 PolarHBondContact N-O 2.97Å; G165-L194 PolarHBondContact N-O 2.88Å; G165-L194 VanDerWaalsContact N-O 3.12Å; G165-L194 VanDerWaalsContact O-CD2 3.32Å; G165-L194 WeakPolarHBondContact O-CD2 3.3Å; I170-L194 HydrophobicContact CD1-CD1 3.58Å; I170-L194 HydrophobicContact CD1-CD2 3.74Å; I170-L194 HydrophobicContact CD1-CG 3.63Å; I176-L194 HydrophobicContact CD1-CD2 4.24Å; I176-L194 HydrophobicContact CG1-CD1 4.23Å; I176-L194 HydrophobicContact CG2-CD1 3.88Å; I179-L194 HydrophobicContact CD1-CD1 3.42Å; I179-L194 VanDerWaalsContact CD1-CD1 3.42Å; A190-L194 WeakPolarHBondContact O-CG 3.48Å; A190-L194 PolarHBondContact O-N 2.77Å; C192-L194 PolarHBondContact O-N 3.37Å
195V98.7Very high97.6Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-102.2-14.1179.7-56.80000113.9R111 N113 H163 I185 F191 C192 D193R111-V195 WeakPolarHBondContact O-CG1 3.33Å; N113-V195 HydrophobicContact CB-CB 4.26Å; N113-V195 HydrophobicContact CB-CG2 4.19Å; H163-V195 PolarHBondContact CD2-O 3.09Å; H163-V195 VanDerWaalsContact CD2-O 3.31Å; I185-V195 HydrophobicContact CD1-CG2 4.19Å; I185-V195 HydrophobicContact CG2-CG2 3.87Å; F191-V195 HydrophobicContact CE2-CG1 4.43Å; C192-V195 VanDerWaalsContact O-CG2 3.28Å; C192-V195 WeakPolarHBondContact O-CG2 3.39Å; C192-V195 PolarHBondContact O-N 3.22Å; D193-V195 PolarHBondContact O-N 3.01Å; D193-V195 VanDerWaalsContact O-N 3.15Å
196W98.7Very high97.6Very high43 Ų4347.7 Ų47.716%0.16325%0.25CC..Hα-helixtrans-117.1-18.6-175.9-76.7102.7000115.7N113 I119 C192 D193 R210 A212 H237N113-W196 HydrophobicContact CB-CD2 3.9Å; N113-W196 HydrophobicContact CB-CE3 4.43Å; N113-W196 HydrophobicContact CB-CG 4.33Å; N113-W196 HydrophobicContact CB-CH2 4.34Å; N113-W196 HydrophobicContact CB-CZ2 3.76Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.21Å; N113-W196 WeakPolarHBondContact ND2-CZ2 3.4Å; I119-W196 HydrophobicContact CD1-CH2 4.07Å; I119-W196 HydrophobicContact CD1-CZ2 3.87Å; I119-W196 HydrophobicContact CG1-CZ2 4.19Å; C192-W196 WeakPolarHBondContact O-CB 3.39Å; C192-W196 VanDerWaalsContact O-CD1 3.3Å; C192-W196 PolarHBondContact O-N 3.45Å; C192-W196 VanDerWaalsContact SG-CD1 3.58Å; D193-W196 PolarHBondContact O-N 3.27Å; W196-R210 HydrophobicContact CE3-CB 4.32Å; W196-A212 HydrophobicContact CB-CB 4.13Å; W196-A212 HydrophobicContact CD2-CB 3.94Å; W196-A212 HydrophobicContact CE3-CB 4.41Å; W196-A212 HydrophobicContact CG-CB 3.81Å; W196-H237 AromaticContact CE3-CE1 3.81Å; W196-H237 AromaticContact CE3-NE2 3.85Å
197S98.8Very high97.5Very high0 Ų052.5 Ų52.50%027%0.272CS..  trans-70.4151-176.2-70.50000112.7G164 G165 L166 D193 W214G164-S197 CarbonylContact C-O 3.54Å; G164-S197 WeakPolarHBondContact CA-O 3.33Å; G165-S197 PolarHBondContact N-O 2.91Å; L166-S197 WeakPolarHBondContact O-CB 3.35Å; L166-S197 PolarHBondContact O-OG 3.21Å; D193-S197 WeakPolarHBondContact O-CB 3.08Å; D193-S197 PolarHBondContact O-N 2.87Å; D193-S197 PolarHBondContact O-OG 3.44Å; S197-W214 CarbonylContact C-O 3.5Å; S197-W214 WeakPolarHBondContact CA-O 3.35Å; S197-W214 VanDerWaalsContact CB-O 3.23Å; S197-W214 WeakPolarHBondContact CB-O 3.39Å; S197-W214 PolarHBondContact OG-N 2.86Å; S197-W214 PolarHBondContact OG-O 3.34Å
198D98.8Very high97.6Very high5 Ų546.5 Ų46.53%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-130.3139.2-176-81.2-27.5000113R210 W214 L215 F216 R235 H237 Q238D198-R210 IonicContact OD1-NE 3Å; D198-R210 IonicContact OD1-NH2 3.27Å; D198-R210 PolarHBondContact OD1-NH2 2.82Å; D198-R210 IonicContact OD2-CZ 2.76Å; D198-R210 IonicContact OD2-NE 2.67Å; D198-R210 PolarHBondContact OD2-NE 3.06Å; D198-R210 IonicContact OD2-NH2 3.95Å; D198-R210 PolarHBondContact OD2-NH2 3.34Å; D198-W214 PolarHBondContact N-O 3.2Å; D198-L215 HydrophobicContact CB-CD2 3.88Å; D198-L215 CarbonylContact O-C 3.59Å; D198-L215 VanDerWaalsContact O-CA 3.25Å; D198-L215 WeakPolarHBondContact O-CA 3.45Å; D198-F216 WeakPolarHBondContact O-CD1 3.34Å; D198-F216 WeakPolarHBondContact O-CE1 3.38Å; D198-F216 PolarHBondContact O-N 2.73Å; D198-R235 IonicContact OD1-CZ 3.14Å; D198-R235 IonicContact OD1-NH1 3.82Å; D198-R235 PolarHBondContact OD1-NH1 3.47Å; D198-R235 IonicContact OD1-NH2 3.94Å; D198-H237 IonicContact OD1-CD2 3.72Å; D198-H237 PolarHBondContact OD1-CD2 3.05Å; D198-H237 VanDerWaalsContact OD1-CD2 3.32Å; D198-Q238 WeakPolarHBondContact OD1-CG 3.48Å; D198-Q238 PolarHBondContact OD1-OE1 3.37Å; D198-Q238 PolarHBondContact OD2-NE2 3.35Å
199P98.4Very high97.6Very high3 Ų343.5 Ų43.52%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-69.1140.2166.530.9-36.6000111F216 Q238 M247 F248 L252P199-F216 WeakPolarHBondContact CA-O 3.5Å; P199-F216 HydrophobicContact CB-CE1 4.37Å; P199-F216 HydrophobicContact CB-CE2 4.02Å; P199-F216 HydrophobicContact CB-CZ 3.88Å; P199-F216 HydrophobicContact CG-CZ 4.32Å; P199-F216 VanDerWaalsContact N-CE1 3.28Å; P199-Q238 VanDerWaalsContact CD-OE1 3.28Å; P199-M247 HydrophobicContact CB-CE 4.16Å; P199-M247 HydrophobicContact CB-SD 3.91Å; P199-M247 HydrophobicContact CG-SD 3.94Å; P199-F248 HydrophobicContact CB-CE2 3.63Å; P199-F248 HydrophobicContact CB-CZ 3.96Å; P199-L252 HydrophobicContact CB-CD1 4.11Å; P199-L252 HydrophobicContact CB-CD2 4.08Å; P199-L252 HydrophobicContact CG-CD1 4.35Å; P199-L252 HydrophobicContact CG-CD2 3.84Å
200E97.4Very high97.4Very high78 Ų7847.1 Ų47.136%0.36425%0.25SC..  trans-146.4162.4175.2-170.853.9-85.300111V202 L215 F216 F248E200-V202 HydrophobicContact CB-CG1 4.49Å; E200-V202 HydrophobicContact CB-CG2 4.44Å; E200-V202 HydrophobicContact CG-CG1 4.26Å; E200-V202 PolarHBondContact O-N 3.48Å; E200-L215 HydrophobicContact CB-CB 4.2Å; E200-L215 HydrophobicContact CB-CD1 4.33Å; E200-L215 HydrophobicContact CB-CD2 4.41Å; E200-L215 HydrophobicContact CG-CD1 4.26Å; E200-F216 PolarHBondContact N-O 3.45Å; E200-F248 WeakPolarHBondContact O-CZ 3.36Å
201D95.7Very high97.2Very high133 Ų13349.5 Ų49.571%0.71128%0.276SS*.SBendtrans-72.456.4174.2-68.8-27000112.2
202V96.5Very high97.1Very high43 Ų4349.9 Ų49.926%0.26128%0.282SS..SBendtrans-115.2162.8170.4-61.20000110.1E200 A206 G217 S218E200-V202 HydrophobicContact CB-CG1 4.49Å; E200-V202 HydrophobicContact CB-CG2 4.44Å; E200-V202 HydrophobicContact CG-CG1 4.26Å; E200-V202 PolarHBondContact O-N 3.48Å; V202-A206 HydrophobicContact CG1-CB 4.36Å; V202-G217 WeakPolarHBondContact O-CA 3.13Å; V202-S218 PolarHBondContact O-N 3.35Å
203D94.6Very high97Very high99 Ų9950.4 Ų50.453%0.52929%0.287SS..SBendtrans-74.5-46.6179.2-97.214.6000112.5K219D203-K219 HydrophobicContact CB-CD 4.28Å; D203-K219 WeakPolarHBondContact O-CB 3.38Å; D203-K219 WeakPolarHBondContact O-CG 3.25Å; D203-K219 PolarHBondContact O-N 2.88Å; D203-K219 IonicContact OD2-NZ 3.7Å; D203-K219 PolarHBondContact OD2-NZ 2.88Å
204T97.7Very high97Very high70 Ų7054.5 Ų54.543%0.42930%0.302SS..SBendtrans-131.3-113-172.958.60000111.7F216 G217 K219T204-F216 CarbonylContact O-C 3.58Å; T204-F216 WeakPolarHBondContact O-CA 3Å; T204-G217 PolarHBondContact O-N 2.66Å; T204-K219 HydrophobicContact CG2-CB 4.25Å; T204-K219 HydrophobicContact CG2-CD 4.08Å
205W98.3Very high97Very high79 Ų7955.4 Ų55.430%0.29931%0.307SS..EExtended strand (participates in β ladder)trans-107.2143.3179-60.5102.2000110.6L166 P168 W214 L215 F216 V220L166-W205 HydrophobicContact CB-CH2 3.73Å; L166-W205 HydrophobicContact CB-CZ3 4.36Å; P168-W205 VanDerWaalsContact CA-CZ2 3.49Å; P168-W205 HydrophobicContact CB-CD2 4.24Å; P168-W205 HydrophobicContact CB-CZ2 4.07Å; P168-W205 VanDerWaalsContact N-CH2 3.31Å; W205-W214 HydrophobicContact CB-CE3 4.32Å; W205-W214 HydrophobicContact CE3-CB 3.71Å; W205-W214 HydrophobicContact CE3-CG 4.19Å; W205-W214 HydrophobicContact CZ3-CB 4Å; W205-L215 CarbonylContact C-O 3.47Å; W205-L215 WeakPolarHBondContact CA-O 3.44Å; W205-F216 HydrophobicContact CE3-CB 3.69Å; W205-F216 HydrophobicContact CH2-CB 4.23Å; W205-F216 HydrophobicContact CZ3-CB 3.54Å; W205-F216 HydrophobicContact CZ3-CG 4.35Å; W205-V220 HydrophobicContact CD2-CG1 4.38Å; W205-V220 HydrophobicContact CD2-CG2 4.02Å; W205-V220 HydrophobicContact CG-CG2 4.18Å; W205-V220 HydrophobicContact CH2-CG1 3.55Å; W205-V220 HydrophobicContact CZ2-CB 4.32Å; W205-V220 HydrophobicContact CZ2-CG1 3.24Å; W205-V220 HydrophobicContact CZ2-CG2 4.08Å; W205-V220 HydrophobicContact CZ3-CG1 4.25Å
206A98Very high97Very high32 Ų3255.4 Ų55.426%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-140.2161.6168.100000110.9V202 S208 L215V202-A206 HydrophobicContact CG1-CB 4.36Å; A206-S208 PolarHBondContact O-N 3.06Å; A206-L215 HydrophobicContact CB-CB 4.07Å; A206-L215 HydrophobicContact CB-CD1 4.37Å; A206-L215 PolarHBondContact N-O 3.32Å; A206-L215 PolarHBondContact O-N 3.24Å
207I96.8Very high97Very high143 Ų14353.4 Ų53.473%0.73330%0.299SS*.EExtended strand (participates in β ladder)trans-68130.3-178.8-63.3173.8000109.3
208S96.9Very high97Very high6 Ų655.1 Ų55.14%0.04231%0.311CS..  trans-69.8132175.6177.60000111.5A206 R210 G211 A212 G213A206-S208 PolarHBondContact O-N 3.06Å; S208-R210 PolarHBondContact O-N 3.25Å; S208-R210 WeakPolarHBondContact OG-CB 3.36Å; S208-R210 WeakPolarHBondContact OG-CG 3.12Å; S208-R210 PolarHBondContact OG-N 3.37Å; S208-G211 PolarHBondContact O-N 2.82Å; S208-A212 WeakPolarHBondContact CB-O 3.35Å; S208-A212 PolarHBondContact OG-O 3.11Å; S208-G213 WeakPolarHBondContact CB-O 3.18Å
209P95.3Very high97Very high115 Ų11560.1 Ų60.175%0.74733%0.333SS*.THydrogen-bonded Turntrans-69.6-10.2172.831.2-35.4000112.5G211P209-G211 PolarHBondContact O-N 3.46Å
210R93.2Very high97Very high100 Ų10060.5 Ų60.538%0.37734%0.335SS..THydrogen-bonded Turntrans-71.2-14.9177-57.2-175.2-179-101.28.4113.3W196 D198 S208 A212 H237W196-R210 HydrophobicContact CE3-CB 4.32Å; D198-R210 IonicContact OD1-NE 3Å; D198-R210 IonicContact OD1-NH2 3.27Å; D198-R210 PolarHBondContact OD1-NH2 2.82Å; D198-R210 IonicContact OD2-CZ 2.76Å; D198-R210 IonicContact OD2-NE 2.67Å; D198-R210 PolarHBondContact OD2-NE 3.06Å; D198-R210 IonicContact OD2-NH2 3.95Å; D198-R210 PolarHBondContact OD2-NH2 3.34Å; S208-R210 PolarHBondContact O-N 3.25Å; S208-R210 WeakPolarHBondContact OG-CB 3.36Å; S208-R210 WeakPolarHBondContact OG-CG 3.12Å; S208-R210 PolarHBondContact OG-N 3.37Å; R210-A212 PolarHBondContact O-N 3.46Å; R210-H237 WeakPolarHBondContact CD-NE2 3.36Å; R210-H237 PolarHBondContact NE-NE2 3.28Å; R210-H237 PolarHBondContact NH1-NE2 3.02Å
211G93.1Very high97.1Very high73 Ų7356.8 Ų56.875%0.75332%0.318SS*.SBendtrans77.83.6-17200000114.2S208 P209S208-G211 PolarHBondContact O-N 2.82Å; P209-G211 PolarHBondContact O-N 3.46Å
212A96.1Very high97.2Very high18 Ų1852.5 Ų52.515%0.14930%0.295CS..SBendtrans-147151.9174.700000109.5W196 S208 R210W196-A212 HydrophobicContact CB-CB 4.13Å; W196-A212 HydrophobicContact CD2-CB 3.94Å; W196-A212 HydrophobicContact CE3-CB 4.41Å; W196-A212 HydrophobicContact CG-CB 3.81Å; S208-A212 WeakPolarHBondContact CB-O 3.35Å; S208-A212 PolarHBondContact OG-O 3.11Å; R210-A212 PolarHBondContact O-N 3.46Å
213G97.6Very high97.3Very high12 Ų1255.8 Ų55.812%0.12431%0.308CS..SBendtrans66.9-166.2-17500000114.2S208S208-G213 WeakPolarHBondContact CB-O 3.18Å
214W98.5Very high97.5Very high89 Ų8951.6 Ų51.634%0.33728%0.284SS..EExtended strand (participates in β ladder)trans-131.8155.2-177.3-63.983.1000111.9P168 S197 D198 W205P168-W214 VanDerWaalsContact CD-CD1 3.46Å; P168-W214 HydrophobicContact CG-CD2 4.21Å; P168-W214 HydrophobicContact CG-CG 4.29Å; P168-W214 HydrophobicContact CG-CZ2 4.23Å; S197-W214 CarbonylContact C-O 3.5Å; S197-W214 WeakPolarHBondContact CA-O 3.35Å; S197-W214 VanDerWaalsContact CB-O 3.23Å; S197-W214 WeakPolarHBondContact CB-O 3.39Å; S197-W214 PolarHBondContact OG-N 2.86Å; S197-W214 PolarHBondContact OG-O 3.34Å; D198-W214 PolarHBondContact N-O 3.2Å; W205-W214 HydrophobicContact CB-CE3 4.32Å; W205-W214 HydrophobicContact CE3-CB 3.71Å; W205-W214 HydrophobicContact CE3-CG 4.19Å; W205-W214 HydrophobicContact CZ3-CB 4Å
215L98.7Very high97.5Very high23 Ų2348.7 Ų48.712%0.1227%0.267CS..EExtended strand (participates in β ladder)trans-82.7137.5157.8-57-178.2000108.8D198 E200 W205 A206D198-L215 HydrophobicContact CB-CD2 3.88Å; D198-L215 CarbonylContact O-C 3.59Å; D198-L215 VanDerWaalsContact O-CA 3.25Å; D198-L215 WeakPolarHBondContact O-CA 3.45Å; E200-L215 HydrophobicContact CB-CB 4.2Å; E200-L215 HydrophobicContact CB-CD1 4.33Å; E200-L215 HydrophobicContact CB-CD2 4.41Å; E200-L215 HydrophobicContact CG-CD1 4.26Å; W205-L215 CarbonylContact C-O 3.47Å; W205-L215 WeakPolarHBondContact CA-O 3.44Å; A206-L215 HydrophobicContact CB-CB 4.07Å; A206-L215 HydrophobicContact CB-CD1 4.37Å; A206-L215 PolarHBondContact N-O 3.32Å; A206-L215 PolarHBondContact O-N 3.24Å
216F98.8Very high97.5Very high0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-132.9144.217866.9-86000113.3L166 D198 P199 E200 T204 W205 V220 F248 L252L166-F216 HydrophobicContact CB-CD2 4.42Å; L166-F216 HydrophobicContact CB-CG 4.41Å; L166-F216 HydrophobicContact CD1-CD2 4.12Å; L166-F216 HydrophobicContact CD1-CE2 4.17Å; L166-F216 HydrophobicContact CG-CD2 4.34Å; L166-F216 HydrophobicContact CG-CE2 4.15Å; L166-F216 HydrophobicContact CG-CZ 4.47Å; D198-F216 WeakPolarHBondContact O-CD1 3.34Å; D198-F216 WeakPolarHBondContact O-CE1 3.38Å; D198-F216 PolarHBondContact O-N 2.73Å; P199-F216 WeakPolarHBondContact CA-O 3.5Å; P199-F216 HydrophobicContact CB-CE1 4.37Å; P199-F216 HydrophobicContact CB-CE2 4.02Å; P199-F216 HydrophobicContact CB-CZ 3.88Å; P199-F216 HydrophobicContact CG-CZ 4.32Å; P199-F216 VanDerWaalsContact N-CE1 3.28Å; E200-F216 PolarHBondContact N-O 3.45Å; T204-F216 CarbonylContact O-C 3.58Å; T204-F216 WeakPolarHBondContact O-CA 3Å; W205-F216 HydrophobicContact CE3-CB 3.69Å; W205-F216 HydrophobicContact CH2-CB 4.23Å; W205-F216 HydrophobicContact CZ3-CB 3.54Å; W205-F216 HydrophobicContact CZ3-CG 4.35Å; F216-V220 HydrophobicContact CB-CB 4.4Å; F216-V220 HydrophobicContact CB-CG1 4.1Å; F216-F248 HydrophobicContact CD2-CE2 4.48Å; F216-F248 HydrophobicContact CE2-CE2 4.39Å; F216-L252 HydrophobicContact CE2-CD1 3.48Å; F216-L252 VanDerWaalsContact CE2-CD1 3.48Å; F216-L252 HydrophobicContact CZ-CD1 3.62Å
217G98.5Very high97.6Very high0 Ų054.6 Ų54.60%029%0.294CS..  trans-104.3-173.5-170.500000115.4V202 T204 K219 V220 T221V202-G217 WeakPolarHBondContact O-CA 3.13Å; T204-G217 PolarHBondContact O-N 2.66Å; G217-K219 PolarHBondContact O-N 2.53Å; G217-V220 PolarHBondContact O-N 3.26Å; G217-T221 PolarHBondContact O-N 3.02Å; G217-T221 VanDerWaalsContact O-N 3.1Å; G217-T221 PolarHBondContact O-OG1 3.19Å
218S98.3Very high97.7Very high36 Ų3648.9 Ų48.925%0.25227%0.265SS..Hα-helixtrans-63.2-39.9179.965.30000113V202 T221 N222 F248V202-S218 PolarHBondContact O-N 3.35Å; S218-T221 PolarHBondContact O-N 3.18Å; S218-N222 VanDerWaalsContact O-CB 3.24Å; S218-N222 WeakPolarHBondContact O-CB 3.05Å; S218-N222 PolarHBondContact O-N 3.39Å; S218-N222 PolarHBondContact O-ND2 3.43Å; S218-F248 VanDerWaalsContact CB-CD1 3.5Å
219K98.4Very high97.7Very high110 Ų11054.5 Ų54.548%0.47829%0.294SS..Hα-helixtrans-66.3-43-178.5-62.8174.2174.7163.70111.6D203 T204 G217 N222 E223D203-K219 HydrophobicContact CB-CD 4.28Å; D203-K219 WeakPolarHBondContact O-CB 3.38Å; D203-K219 WeakPolarHBondContact O-CG 3.25Å; D203-K219 PolarHBondContact O-N 2.88Å; D203-K219 IonicContact OD2-NZ 3.7Å; D203-K219 PolarHBondContact OD2-NZ 2.88Å; T204-K219 HydrophobicContact CG2-CB 4.25Å; T204-K219 HydrophobicContact CG2-CD 4.08Å; G217-K219 PolarHBondContact O-N 2.53Å; K219-N222 PolarHBondContact O-N 2.78Å; K219-E223 WeakPolarHBondContact O-CB 3.43Å; K219-E223 PolarHBondContact O-N 3.35Å
220V98.5Very high97.9Very high11 Ų1149.6 Ų49.67%0.06726%0.262CS..Hα-helixtrans-61.5-47.8176.8170.70000110.5L166 W205 F216 G217 N222 E223 F224L166-V220 HydrophobicContact CB-CG1 4.46Å; L166-V220 HydrophobicContact CD1-CG1 3.89Å; W205-V220 HydrophobicContact CD2-CG1 4.38Å; W205-V220 HydrophobicContact CD2-CG2 4.02Å; W205-V220 HydrophobicContact CG-CG2 4.18Å; W205-V220 HydrophobicContact CH2-CG1 3.55Å; W205-V220 HydrophobicContact CZ2-CB 4.32Å; W205-V220 HydrophobicContact CZ2-CG1 3.24Å; W205-V220 HydrophobicContact CZ2-CG2 4.08Å; W205-V220 HydrophobicContact CZ3-CG1 4.25Å; F216-V220 HydrophobicContact CB-CB 4.4Å; F216-V220 HydrophobicContact CB-CG1 4.1Å; G217-V220 PolarHBondContact O-N 3.26Å; V220-N222 PolarHBondContact O-N 3.11Å; V220-E223 PolarHBondContact O-N 3.44Å; V220-F224 WeakPolarHBondContact O-CB 3.32Å; V220-F224 PolarHBondContact O-N 2.94Å
221T98.7Very high98.1Very high0 Ų049.7 Ų49.70%027%0.265CS..Hα-helixtrans-59.8-48.7177.4-57.20000111.1G217 S218 E223 F224 V225 I233 F248 K251 L252G217-T221 PolarHBondContact O-N 3.02Å; G217-T221 VanDerWaalsContact O-N 3.1Å; G217-T221 PolarHBondContact O-OG1 3.19Å; S218-T221 PolarHBondContact O-N 3.18Å; T221-E223 PolarHBondContact O-N 2.95Å; T221-F224 PolarHBondContact O-N 3.19Å; T221-V225 HydrophobicContact CG2-CG2 4.34Å; T221-V225 WeakPolarHBondContact O-CB 3.15Å; T221-V225 WeakPolarHBondContact O-CG2 3.24Å; T221-V225 PolarHBondContact O-N 3.42Å; T221-I233 HydrophobicContact CG2-CD1 4.18Å; T221-F248 HydrophobicContact CG2-CB 4.32Å; T221-F248 HydrophobicContact CG2-CD2 3.92Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.41Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.49Å; T221-K251 HydrophobicContact CG2-CB 4.26Å; T221-L252 HydrophobicContact CG2-CB 4.22Å
222N98.5Very high98.4Very high44 Ų4446.3 Ų46.324%0.23523%0.229CC..Hα-helixtrans-60.9-44.5-179.4-78.3-40.9000112.6S218 K219 V220 H226 K251S218-N222 VanDerWaalsContact O-CB 3.24Å; S218-N222 WeakPolarHBondContact O-CB 3.05Å; S218-N222 PolarHBondContact O-N 3.39Å; S218-N222 PolarHBondContact O-ND2 3.43Å; K219-N222 PolarHBondContact O-N 2.78Å; V220-N222 PolarHBondContact O-N 3.11Å; N222-H226 VanDerWaalsContact O-CB 3.29Å; N222-H226 WeakPolarHBondContact O-CB 3.47Å; N222-H226 PolarHBondContact O-N 2.87Å; N222-K251 WeakPolarHBondContact OD1-CD 3.39Å; N222-K251 WeakPolarHBondContact OD1-CE 3.43Å; N222-K251 PolarHBondContact OD1-NZ 2.85Å
223E98.6Very high98.5Very high112 Ų11245.4 Ų45.452%0.52322%0.222SC..Hα-helixtrans-63.7-49.1177.6-178.5178.1-174.800111.1K219 V220 T221 V225 H226 I227K219-E223 WeakPolarHBondContact O-CB 3.43Å; K219-E223 PolarHBondContact O-N 3.35Å; V220-E223 PolarHBondContact O-N 3.44Å; T221-E223 PolarHBondContact O-N 2.95Å; E223-V225 PolarHBondContact O-N 2.68Å; E223-H226 PolarHBondContact O-N 3.01Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.35Å; E223-I227 WeakPolarHBondContact O-CB 3.23Å; E223-I227 WeakPolarHBondContact O-CG1 3.49Å; E223-I227 PolarHBondContact O-N 3.46Å
224F98.8Very high98.6Very high10 Ų1044.9 Ų44.94%0.04422%0.216CC..Hα-helixtrans-61.4-45.2-179.6-170.9-83.9000111.9L160 L166 I170 L173 V220 T221 H226 I227 N228 L230 I233L160-F224 HydrophobicContact CD2-CE1 3.67Å; L160-F224 HydrophobicContact CD2-CZ 4.13Å; L166-F224 HydrophobicContact CD1-CB 3.83Å; L166-F224 HydrophobicContact CD1-CG 4.05Å; L166-F224 HydrophobicContact CD2-CD1 3.84Å; L166-F224 HydrophobicContact CD2-CD2 4Å; L166-F224 HydrophobicContact CD2-CE1 3.98Å; L166-F224 HydrophobicContact CD2-CE2 4.12Å; L166-F224 HydrophobicContact CD2-CG 3.85Å; L166-F224 HydrophobicContact CD2-CZ 4.11Å; I170-F224 HydrophobicContact CG2-CE2 4.02Å; L173-F224 HydrophobicContact CD2-CE1 4.41Å; L173-F224 HydrophobicContact CD2-CZ 4.31Å; V220-F224 WeakPolarHBondContact O-CB 3.32Å; V220-F224 PolarHBondContact O-N 2.94Å; T221-F224 PolarHBondContact O-N 3.19Å; F224-H226 VanDerWaalsContact C-N 3.31Å; F224-H226 PolarHBondContact O-N 3.19Å; F224-I227 PolarHBondContact O-N 2.78Å; F224-N228 HydrophobicContact CE1-CB 4.48Å; F224-N228 WeakPolarHBondContact O-CB 3.44Å; F224-N228 PolarHBondContact O-N 2.84Å; F224-N228 VanDerWaalsContact O-N 3.1Å; F224-N228 PolarHBondContact O-ND2 2.74Å; F224-L230 HydrophobicContact CD1-CD1 4.11Å; F224-L230 HydrophobicContact CE1-CD1 3.83Å; F224-I233 HydrophobicContact CD1-CD1 4.07Å
225V98.6Very high98.6Very high9 Ų940.6 Ų40.66%0.05520%0.2CC..Hα-helixtrans-60.7-42.3176.9167.90000110.9T221 E223 N229 L230 I233 K251T221-V225 HydrophobicContact CG2-CG2 4.34Å; T221-V225 WeakPolarHBondContact O-CB 3.15Å; T221-V225 WeakPolarHBondContact O-CG2 3.24Å; T221-V225 PolarHBondContact O-N 3.42Å; E223-V225 PolarHBondContact O-N 2.68Å; V225-N229 PolarHBondContact O-N 3.27Å; V225-N229 VanDerWaalsContact O-N 3.16Å; V225-L230 HydrophobicContact CB-CB 4.48Å; V225-L230 HydrophobicContact CG1-CB 4.18Å; V225-L230 WeakPolarHBondContact CG1-O 3.41Å; V225-L230 HydrophobicContact CG2-CB 4.46Å; V225-L230 PolarHBondContact O-N 2.75Å; V225-I233 HydrophobicContact CG2-CD1 3.76Å; V225-I233 HydrophobicContact CG2-CG1 4.05Å; V225-K251 HydrophobicContact CG1-CD 4.45Å; V225-K251 HydrophobicContact CG2-CB 4.43Å
226H98.6Very high98.6Very high154 Ų15439.5 Ų39.571%0.71320%0.195SC*.Hα-helixtrans-66-50.3178.1-179.765.1000112.7N222 E223 F224 N228 N229N222-H226 VanDerWaalsContact O-CB 3.29Å; N222-H226 WeakPolarHBondContact O-CB 3.47Å; N222-H226 PolarHBondContact O-N 2.87Å; E223-H226 PolarHBondContact O-N 3.01Å; F224-H226 VanDerWaalsContact C-N 3.31Å; F224-H226 PolarHBondContact O-N 3.19Å; H226-N228 VanDerWaalsContact C-N 3.25Å; H226-N228 PolarHBondContact O-N 3.1Å; H226-N229 PolarHBondContact O-N 2.68Å
227I98.6Very high98.6Very high81 Ų8140.1 Ų40.142%0.41520%0.197SC..Hα-helixtrans-58.7-39.7-178.7-72172.5000111.3T172 E223 F224T172-I227 HydrophobicContact CG2-CG2 3.98Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.35Å; E223-I227 WeakPolarHBondContact O-CB 3.23Å; E223-I227 WeakPolarHBondContact O-CG1 3.49Å; E223-I227 PolarHBondContact O-N 3.46Å; F224-I227 PolarHBondContact O-N 2.78Å
228N98.7Very high98.6Very high24 Ų2442.1 Ų42.113%0.12821%0.207CC..THydrogen-bonded Turntrans-957.1-174.7-65.3-78000113.7K171 T172 L173 F224 H226 L230K171-N228 PolarHBondContact O-ND2 3.28Å; T172-N228 WeakPolarHBondContact CA-OD1 3.46Å; L173-N228 HydrophobicContact CD1-CB 4.25Å; L173-N228 HydrophobicContact CG-CB 4.12Å; L173-N228 PolarHBondContact N-OD1 2.94Å; F224-N228 HydrophobicContact CE1-CB 4.48Å; F224-N228 WeakPolarHBondContact O-CB 3.44Å; F224-N228 PolarHBondContact O-N 2.84Å; F224-N228 VanDerWaalsContact O-N 3.1Å; F224-N228 PolarHBondContact O-ND2 2.74Å; H226-N228 VanDerWaalsContact C-N 3.25Å; H226-N228 PolarHBondContact O-N 3.1Å; N228-L230 HydrophobicContact CB-CD1 3.96Å; N228-L230 HydrophobicContact CB-CG 3.83Å; N228-L230 PolarHBondContact O-N 2.92Å
229N98.3Very high98.5Very high123 Ų12343.4 Ų43.466%0.65821%0.21SC*.THydrogen-bonded Turntrans51.739.2-177.5-170.244.4000113.3V225 H226V225-N229 PolarHBondContact O-N 3.27Å; V225-N229 VanDerWaalsContact O-N 3.16Å; H226-N229 PolarHBondContact O-N 2.68Å
230L98.6Very high98.4Very high13 Ų1338.7 Ų38.77%0.06819%0.191CC..  trans-88.1161.2178.2-61.5174.4000110.6L154 Q158 L160 L173 F224 V225 N228 I233L154-L230 HydrophobicContact CD1-CD2 3.69Å; Q158-L230 CarbonylContact O-C 3.6Å; Q158-L230 WeakPolarHBondContact O-CA 3.18Å; L160-L230 HydrophobicContact CB-CD1 3.79Å; L160-L230 HydrophobicContact CB-CD2 4.46Å; L160-L230 HydrophobicContact CD2-CD1 4.34Å; L173-L230 HydrophobicContact CD1-CD2 4.31Å; F224-L230 HydrophobicContact CD1-CD1 4.11Å; F224-L230 HydrophobicContact CE1-CD1 3.83Å; V225-L230 HydrophobicContact CB-CB 4.48Å; V225-L230 HydrophobicContact CG1-CB 4.18Å; V225-L230 WeakPolarHBondContact CG1-O 3.41Å; V225-L230 HydrophobicContact CG2-CB 4.46Å; V225-L230 PolarHBondContact O-N 2.75Å; N228-L230 HydrophobicContact CB-CD1 3.96Å; N228-L230 HydrophobicContact CB-CG 3.83Å; N228-L230 PolarHBondContact O-N 2.92Å; L230-I233 HydrophobicContact CD1-CG1 4.48Å
231K98.2Very high98.3Very high101 Ų10143.3 Ų43.344%0.43921%0.212SC..SBendtrans-104.4-30.2167.7-72.3-179.6175.11640112.4Q158Q158-K231 HydrophobicContact CB-CD 4.44Å; Q158-K231 HydrophobicContact CB-CG 4.42Å; Q158-K231 PolarHBondContact O-N 2.91Å; Q158-K231 VanDerWaalsContact OE1-CD 3.28Å
232L98.7Very high98.3Very high2 Ų249.1 Ų49.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-154.1142.6-171.717966.8000110.7I159 L160 E250 K251 V253 F274I159-L232 WeakPolarHBondContact CA-O 3.25Å; I159-L232 HydrophobicContact CG1-CB 4.25Å; I159-L232 HydrophobicContact CG2-CB 4.18Å; I159-L232 HydrophobicContact CG2-CD2 4.06Å; I159-L232 HydrophobicContact CG2-CG 4.28Å; L160-L232 PolarHBondContact N-O 3.5Å; L232-E250 WeakPolarHBondContact CD1-O 3.47Å; L232-K251 CarbonylContact C-O 3.55Å; L232-K251 WeakPolarHBondContact CA-O 3.47Å; L232-V253 HydrophobicContact CD1-CB 4.21Å; L232-V253 HydrophobicContact CD1-CG1 3.95Å; L232-V253 HydrophobicContact CD2-CG1 3.94Å; L232-V253 HydrophobicContact CG-CG1 4.23Å; L232-F274 HydrophobicContact CD2-CE1 3.86Å; L232-F274 HydrophobicContact CD2-CZ 3.7Å
233I98.8Very high98.2Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-105122.7160.3-61.1161.8000107.5L160 V162 L166 T221 F224 V225 L230 K251 L252 V253L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.49Å; L160-I233 CarbonylContact O-C 3.58Å; L160-I233 WeakPolarHBondContact O-CA 3.32Å; V162-I233 HydrophobicContact CG1-CG2 4.42Å; L166-I233 HydrophobicContact CD1-CD1 4Å; L166-I233 HydrophobicContact CD2-CD1 4Å; L166-I233 HydrophobicContact CG-CD1 4.32Å; T221-I233 HydrophobicContact CG2-CD1 4.18Å; F224-I233 HydrophobicContact CD1-CD1 4.07Å; V225-I233 HydrophobicContact CG2-CD1 3.76Å; V225-I233 HydrophobicContact CG2-CG1 4.05Å; L230-I233 HydrophobicContact CD1-CG1 4.48Å; I233-K251 PolarHBondContact N-O 2.85Å; I233-L252 HydrophobicContact CG2-CD1 4.44Å; I233-L252 CarbonylContact O-C 3.6Å; I233-L252 VanDerWaalsContact O-CA 3.3Å; I233-L252 WeakPolarHBondContact O-CA 3.2Å; I233-V253 PolarHBondContact O-N 3.09Å
234C98.7Very high98.2Very high0 Ų045.1 Ų45.10%022%0.216CC..EExtended strand (participates in β ladder)trans-106.1129.9174.7-170.70000108.9M79 I159 L160 C161 V162 V253M79-C234 HydrophobicContact SD-CB 4.41Å; I159-C234 HydrophobicContact CG2-CB 4.35Å; L160-C234 PolarHBondContact O-N 2.84Å; C161-C234 VanDerWaalsContact CA-O 3.3Å; C161-C234 WeakPolarHBondContact CA-O 3.44Å; V162-C234 PolarHBondContact N-O 2.7Å; C234-V253 WeakPolarHBondContact CA-O 3.18Å; C234-V253 HydrophobicContact CB-CG1 3.93Å
235R98.9Very high98.2Very high0 Ų049.5 Ų49.50%024%0.235CC..EExtended strand (participates in β ladder)trans-144.2170.7-174.167.2125-46.6160.751.2113.8M79 V162 H163 G164 D198 L252 V253 T254 V255M79-R235 WeakPolarHBondContact CE-O 3.35Å; V162-R235 HydrophobicContact CG1-CB 4.38Å; V162-R235 WeakPolarHBondContact O-CA 3.35Å; V162-R235 WeakPolarHBondContact O-CB 3.25Å; H163-R235 PolarHBondContact O-NH2 3.42Å; G164-R235 VanDerWaalsContact C-NH2 3.26Å; G164-R235 WeakPolarHBondContact O-CB 3.46Å; G164-R235 VanDerWaalsContact O-CD 3.28Å; G164-R235 WeakPolarHBondContact O-CD 3.36Å; G164-R235 PolarHBondContact O-NE 2.64Å; G164-R235 VanDerWaalsContact O-NE 3.09Å; G164-R235 PolarHBondContact O-NH2 2.98Å; D198-R235 IonicContact OD1-CZ 3.14Å; D198-R235 IonicContact OD1-NH1 3.82Å; D198-R235 PolarHBondContact OD1-NH1 3.47Å; D198-R235 IonicContact OD1-NH2 3.94Å; R235-L252 HydrophobicContact CG-CD1 4.41Å; R235-L252 HydrophobicContact CG-CD2 4.15Å; R235-L252 HydrophobicContact CG-CG 4.31Å; R235-V253 PolarHBondContact N-O 3.01Å; R235-T254 CarbonylContact O-C 3.52Å; R235-T254 VanDerWaalsContact O-CA 3.32Å; R235-T254 WeakPolarHBondContact O-CA 3.43Å; R235-V255 PolarHBondContact O-N 3.46Å
236A98.8Very high98.2Very high0 Ų051.7 Ų51.70%024%0.244CC..  trans-124.8-126.9-174.700000113.9D53 M79 H163 Q238 T254 V255D53-A236 WeakPolarHBondContact OD1-CB 3.4Å; M79-A236 HydrophobicContact CB-CB 3.92Å; M79-A236 HydrophobicContact CE-CB 3.98Å; H163-A236 PolarHBondContact O-N 2.97Å; A236-Q238 PolarHBondContact O-N 3.12Å; A236-T254 WeakPolarHBondContact O-CG2 3.5Å; A236-V255 WeakPolarHBondContact CA-O 3.35Å
237H98.6Very high98.2Very high12 Ų1245.1 Ų45.16%0.05621%0.214CC..SBendtrans58.7-35.1166.2-165.950.2000119.8D53 N113 H163 W196 D198 R210D53-H237 PolarHBondContact OD1-N 2.86Å; D53-H237 WeakPolarHBondContact OD2-CA 3.47Å; N113-H237 VanDerWaalsContact CG-CE1 3.45Å; N113-H237 PolarHBondContact OD1-CE1 3.4Å; N113-H237 PolarHBondContact OD1-ND1 3.05Å; H163-H237 AromaticContact NE2-CG 3.91Å; H163-H237 AromaticContact NE2-ND1 3.52Å; W196-H237 AromaticContact CE3-CE1 3.81Å; W196-H237 AromaticContact CE3-NE2 3.85Å; D198-H237 IonicContact OD1-CD2 3.72Å; D198-H237 PolarHBondContact OD1-CD2 3.05Å; D198-H237 VanDerWaalsContact OD1-CD2 3.32Å; R210-H237 WeakPolarHBondContact CD-NE2 3.36Å; R210-H237 PolarHBondContact NE-NE2 3.28Å; R210-H237 PolarHBondContact NH1-NE2 3.02Å
238Q97.9Very high98.1Very high43 Ų4342.3 Ų42.320%0.20120%0.199CC..SBendtrans-99.7120179.4-86.5176.6-41.900109D198 P199 A236 V240 T254D198-Q238 WeakPolarHBondContact OD1-CG 3.48Å; D198-Q238 PolarHBondContact OD1-OE1 3.37Å; D198-Q238 PolarHBondContact OD2-NE2 3.35Å; P199-Q238 VanDerWaalsContact CD-OE1 3.28Å; A236-Q238 PolarHBondContact O-N 3.12Å; Q238-V240 PolarHBondContact O-N 3Å; Q238-T254 HydrophobicContact CB-CG2 4.28Å; Q238-T254 WeakPolarHBondContact O-CG2 3Å
239L97.5Very high98Very high62 Ų6247.6 Ų47.633%0.32523%0.227SC..  trans-55.5122.8171.3177.866.3000110W256 Y261 C265 N267L239-W256 HydrophobicContact CB-CE3 4.45Å; L239-W256 HydrophobicContact CB-CH2 4.36Å; L239-W256 HydrophobicContact CB-CZ2 4.43Å; L239-W256 HydrophobicContact CB-CZ3 4.35Å; L239-W256 HydrophobicContact CD1-CD2 3.91Å; L239-W256 VanDerWaalsContact CD1-CE2 3.42Å; L239-W256 HydrophobicContact CD1-CG 4.19Å; L239-W256 HydrophobicContact CD1-CZ2 3.79Å; L239-Y261 HydrophobicContact CD2-CD1 4.45Å; L239-C265 HydrophobicContact CD2-CB 4.04Å; L239-N267 HydrophobicContact CD1-CB 3.97Å; L239-N267 VanDerWaalsContact CD1-CG 3.49Å
240V95.8Very high98Very high11 Ų1147 Ų477%0.06722%0.22CC..  trans-115.5125.4169.8-178.70000108.4Q238 E242 G243 Y244 K245 T254Q238-V240 PolarHBondContact O-N 3Å; V240-E242 HydrophobicContact CG1-CB 4.44Å; V240-E242 PolarHBondContact O-N 3.31Å; V240-G243 PolarHBondContact O-N 3.08Å; V240-Y244 WeakPolarHBondContact CG1-O 3.45Å; V240-K245 HydrophobicContact CG1-CB 3.82Å; V240-K245 HydrophobicContact CG2-CB 3.91Å; V240-T254 HydrophobicContact CG2-CG2 3.71Å
241H97Very high98Very high109 Ų10949.6 Ų49.651%0.50523%0.231SC..THydrogen-bonded Turntrans-61.9-34.1-175.2-85.8-73.2000113.1G243 N267 I268H241-G243 VanDerWaalsContact C-N 3.29Å; H241-N267 WeakPolarHBondContact O-CA 3.49Å; H241-I268 WeakPolarHBondContact O-CG1 3.5Å; H241-I268 PolarHBondContact O-N 3.4Å
242E97.5Very high98Very high122 Ų12244.8 Ų44.857%0.5721%0.21SC*.THydrogen-bonded Turntrans-85.42.1178.7-58.475-165.200113V240 Y244 I268V240-E242 HydrophobicContact CG1-CB 4.44Å; V240-E242 PolarHBondContact O-N 3.31Å; E242-Y244 PolarHBondContact O-N 3.29Å; E242-I268 WeakPolarHBondContact O-CD1 3.45Å; E242-I268 WeakPolarHBondContact O-CG1 3.46Å
243G97.8Very high98Very high0 Ų044.7 Ų44.70%021%0.209CC..SBendtrans81.7-20.9179.700000114.7V240 H241 W256 I268 S270V240-G243 PolarHBondContact O-N 3.08Å; H241-G243 VanDerWaalsContact C-N 3.29Å; G243-W256 PolarHBondContact O-N 2.83Å; G243-I268 WeakPolarHBondContact CA-O 3.45Å; G243-S270 VanDerWaalsContact C-OG 3.28Å; G243-S270 PolarHBondContact O-OG 3.44Å
244Y98.5Very high98Very high72 Ų7244.8 Ų44.828%0.28221%0.21SC..EExtended strand (participates in β ladder)trans-152.8154.716971.5-80.4000112.1V240 E242 F246 V253 T254 M272 P282 L284V240-Y244 WeakPolarHBondContact CG1-O 3.45Å; E242-Y244 PolarHBondContact O-N 3.29Å; Y244-F246 HydrophobicContact CD2-CD2 4.02Å; Y244-F246 AromaticContact CD2-CE2 3.8Å; Y244-F246 HydrophobicContact CD2-CE2 3.8Å; Y244-F246 AromaticContact CE2-CD2 3.85Å; Y244-F246 HydrophobicContact CE2-CD2 3.85Å; Y244-F246 AromaticContact CE2-CE2 3.59Å; Y244-F246 HydrophobicContact CE2-CE2 3.59Å; Y244-V253 HydrophobicContact CD2-CG2 4.45Å; Y244-T254 CarbonylContact C-O 3.46Å; Y244-T254 WeakPolarHBondContact CA-O 3.43Å; Y244-T254 VanDerWaalsContact CB-O 3.31Å; Y244-T254 WeakPolarHBondContact CB-O 3.43Å; Y244-M272 HydrophobicContact CD2-CE 4.43Å; Y244-P282 HydrophobicContact CD1-CB 3.78Å; Y244-P282 HydrophobicContact CD1-CG 4.41Å; Y244-P282 HydrophobicContact CE1-CB 3.58Å; Y244-P282 HydrophobicContact CE1-CG 3.75Å; Y244-P282 HydrophobicContact CE2-CB 4.41Å; Y244-P282 HydrophobicContact CE2-CG 4.2Å; Y244-P282 HydrophobicContact CG-CB 4.28Å; Y244-L284 HydrophobicContact CD1-CD2 3.92Å; Y244-L284 HydrophobicContact CE1-CD2 3.92Å
245K98.4Very high98Very high101 Ų10144.8 Ų44.844%0.43921%0.21SC..EExtended strand (participates in β ladder)trans-142.9126.7177.3-178179.2178.6-170.50110.8V240 M247 V253 T254V240-K245 HydrophobicContact CG1-CB 3.82Å; V240-K245 HydrophobicContact CG2-CB 3.91Å; K245-M247 HydrophobicContact CD-CG 4.28Å; K245-M247 HydrophobicContact CD-SD 4.25Å; K245-M247 HydrophobicContact CG-CG 4.16Å; K245-V253 CarbonylContact O-C 3.52Å; K245-V253 WeakPolarHBondContact O-CA 3.35Å; K245-T254 PolarHBondContact N-O 2.97Å; K245-T254 PolarHBondContact O-N 3.36Å
246F98.3Very high98Very high56 Ų5645 Ų4525%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-86.5143168.4-72.3-78.4000110.6Y244 E250 L252 V253 M272Y244-F246 HydrophobicContact CD2-CD2 4.02Å; Y244-F246 AromaticContact CD2-CE2 3.8Å; Y244-F246 HydrophobicContact CD2-CE2 3.8Å; Y244-F246 AromaticContact CE2-CD2 3.85Å; Y244-F246 HydrophobicContact CE2-CD2 3.85Å; Y244-F246 AromaticContact CE2-CE2 3.59Å; Y244-F246 HydrophobicContact CE2-CE2 3.59Å; F246-E250 HydrophobicContact CB-CB 4.39Å; F246-E250 HydrophobicContact CB-CG 4.13Å; F246-E250 HydrophobicContact CD1-CB 3.96Å; F246-E250 HydrophobicContact CD1-CG 4.36Å; F246-E250 HydrophobicContact CG-CB 4.35Å; F246-E250 HydrophobicContact CG-CG 4.27Å; F246-L252 CarbonylContact C-O 3.59Å; F246-L252 WeakPolarHBondContact CA-O 3.14Å; F246-V253 HydrophobicContact CD1-CB 3.61Å; F246-V253 HydrophobicContact CD1-CG2 3.75Å; F246-V253 HydrophobicContact CD2-CG2 4.39Å; F246-V253 HydrophobicContact CE1-CB 3.52Å; F246-V253 HydrophobicContact CE1-CG1 4.27Å; F246-V253 HydrophobicContact CE1-CG2 3.57Å; F246-V253 HydrophobicContact CE2-CG2 4.25Å; F246-V253 HydrophobicContact CG-CB 4.43Å; F246-V253 HydrophobicContact CG-CG2 4.16Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.84Å; F246-M272 HydrophobicContact CE2-CE 4.45Å; F246-M272 HydrophobicContact CZ-CE 3.93Å
247M98.3Very high98Very high16 Ų1645 Ų458%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-137.5160.8175.8-63.5-175.96700110.3P199 K245 E250 K251 L252P199-M247 HydrophobicContact CB-CE 4.16Å; P199-M247 HydrophobicContact CB-SD 3.91Å; P199-M247 HydrophobicContact CG-SD 3.94Å; K245-M247 HydrophobicContact CD-CG 4.28Å; K245-M247 HydrophobicContact CD-SD 4.25Å; K245-M247 HydrophobicContact CG-CG 4.16Å; M247-E250 PolarHBondContact O-N 3Å; M247-K251 PolarHBondContact O-N 3.38Å; M247-L252 HydrophobicContact CB-CD2 4.16Å; M247-L252 PolarHBondContact N-O 2.91Å; M247-L252 PolarHBondContact O-N 3.49Å
248F98.1Very high98Very high22 Ų2244.5 Ų44.510%0.09621%0.208CC..THydrogen-bonded Turntrans55.160.9170.7-44.8-43000113.2P199 E200 F216 S218 T221 E250 K251 L252P199-F248 HydrophobicContact CB-CE2 3.63Å; P199-F248 HydrophobicContact CB-CZ 3.96Å; E200-F248 WeakPolarHBondContact O-CZ 3.36Å; F216-F248 HydrophobicContact CD2-CE2 4.48Å; F216-F248 HydrophobicContact CE2-CE2 4.39Å; S218-F248 VanDerWaalsContact CB-CD1 3.5Å; T221-F248 HydrophobicContact CG2-CB 4.32Å; T221-F248 HydrophobicContact CG2-CD2 3.92Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.41Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.49Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.09Å; F248-K251 WeakPolarHBondContact O-CB 3.22Å; F248-K251 PolarHBondContact O-N 2.83Å; F248-L252 HydrophobicContact CD2-CB 4.15Å
249D96.4Very high98Very high135 Ų13542.4 Ų42.472%0.72220%0.199SC*.THydrogen-bonded Turntrans56.839.5-177.8-51.4-44.8000113K251D249-K251 PolarHBondContact O-N 3.05Å; D249-K251 VanDerWaalsContact O-N 3.15Å
250E97.3Very high98Very high110 Ų11041.6 Ų41.651%0.51420%0.195SC..THydrogen-bonded Turntrans57.522.1-177.8-48.3-171.8178.400115.6L232 F246 M247 F248 L252 R280L232-E250 WeakPolarHBondContact CD1-O 3.47Å; F246-E250 HydrophobicContact CB-CB 4.39Å; F246-E250 HydrophobicContact CB-CG 4.13Å; F246-E250 HydrophobicContact CD1-CB 3.96Å; F246-E250 HydrophobicContact CD1-CG 4.36Å; F246-E250 HydrophobicContact CG-CB 4.35Å; F246-E250 HydrophobicContact CG-CG 4.27Å; M247-E250 PolarHBondContact O-N 3Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.09Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-R280 IonicContact OE2-CZ 3.94Å; E250-R280 IonicContact OE2-NH2 2.73Å; E250-R280 PolarHBondContact OE2-NH2 3.16Å
251K98.3Very high98Very high68 Ų6842.5 Ų42.530%0.29620%0.197SC..THydrogen-bonded Turntrans-83.7-11.4172.2-67.5172.3-174.5170.60113T221 N222 V225 L232 I233 M247 F248 D249T221-K251 HydrophobicContact CG2-CB 4.26Å; N222-K251 WeakPolarHBondContact OD1-CD 3.39Å; N222-K251 WeakPolarHBondContact OD1-CE 3.43Å; N222-K251 PolarHBondContact OD1-NZ 2.85Å; V225-K251 HydrophobicContact CG1-CD 4.45Å; V225-K251 HydrophobicContact CG2-CB 4.43Å; L232-K251 CarbonylContact C-O 3.55Å; L232-K251 WeakPolarHBondContact CA-O 3.47Å; I233-K251 PolarHBondContact N-O 2.85Å; M247-K251 PolarHBondContact O-N 3.38Å; F248-K251 WeakPolarHBondContact O-CB 3.22Å; F248-K251 PolarHBondContact O-N 2.83Å; D249-K251 PolarHBondContact O-N 3.05Å; D249-K251 VanDerWaalsContact O-N 3.15Å
252L98.7Very high97.8Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-128.5140170.4-176.1144.2000110.4P199 F216 T221 I233 R235 F246 M247 F248 E250P199-L252 HydrophobicContact CB-CD1 4.11Å; P199-L252 HydrophobicContact CB-CD2 4.08Å; P199-L252 HydrophobicContact CG-CD1 4.35Å; P199-L252 HydrophobicContact CG-CD2 3.84Å; F216-L252 HydrophobicContact CE2-CD1 3.48Å; F216-L252 VanDerWaalsContact CE2-CD1 3.48Å; F216-L252 HydrophobicContact CZ-CD1 3.62Å; T221-L252 HydrophobicContact CG2-CB 4.22Å; I233-L252 HydrophobicContact CG2-CD1 4.44Å; I233-L252 CarbonylContact O-C 3.6Å; I233-L252 VanDerWaalsContact O-CA 3.3Å; I233-L252 WeakPolarHBondContact O-CA 3.2Å; R235-L252 HydrophobicContact CG-CD1 4.41Å; R235-L252 HydrophobicContact CG-CD2 4.15Å; R235-L252 HydrophobicContact CG-CG 4.31Å; F246-L252 CarbonylContact C-O 3.59Å; F246-L252 WeakPolarHBondContact CA-O 3.14Å; M247-L252 HydrophobicContact CB-CD2 4.16Å; M247-L252 PolarHBondContact N-O 2.91Å; M247-L252 PolarHBondContact O-N 3.49Å; F248-L252 HydrophobicContact CD2-CB 4.15Å; E250-L252 VanDerWaalsContact C-N 3.32Å
253V98.7Very high97.5Very high0 Ų034.5 Ų34.50%016%0.16CC..EExtended strand (participates in β ladder)trans-131.2128.7169.268.70000111.2L232 I233 C234 R235 Y244 K245 F246 V255 M272L232-V253 HydrophobicContact CD1-CB 4.21Å; L232-V253 HydrophobicContact CD1-CG1 3.95Å; L232-V253 HydrophobicContact CD2-CG1 3.94Å; L232-V253 HydrophobicContact CG-CG1 4.23Å; I233-V253 PolarHBondContact O-N 3.09Å; C234-V253 WeakPolarHBondContact CA-O 3.18Å; C234-V253 HydrophobicContact CB-CG1 3.93Å; R235-V253 PolarHBondContact N-O 3.01Å; Y244-V253 HydrophobicContact CD2-CG2 4.45Å; K245-V253 CarbonylContact O-C 3.52Å; K245-V253 WeakPolarHBondContact O-CA 3.35Å; F246-V253 HydrophobicContact CD1-CB 3.61Å; F246-V253 HydrophobicContact CD1-CG2 3.75Å; F246-V253 HydrophobicContact CD2-CG2 4.39Å; F246-V253 HydrophobicContact CE1-CB 3.52Å; F246-V253 HydrophobicContact CE1-CG1 4.27Å; F246-V253 HydrophobicContact CE1-CG2 3.57Å; F246-V253 HydrophobicContact CE2-CG2 4.25Å; F246-V253 HydrophobicContact CG-CB 4.43Å; F246-V253 HydrophobicContact CG-CG2 4.16Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.84Å; V253-V255 HydrophobicContact CG1-CG2 4.35Å; V253-V255 HydrophobicContact CG2-CG2 4.31Å; V253-M272 HydrophobicContact CG2-CE 3.99Å
254T98.9Very high97.2Very high2 Ų243.7 Ų43.71%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-90.5129165.9-56.40000108.8R235 A236 Q238 V240 Y244 K245R235-T254 CarbonylContact O-C 3.52Å; R235-T254 VanDerWaalsContact O-CA 3.32Å; R235-T254 WeakPolarHBondContact O-CA 3.43Å; A236-T254 WeakPolarHBondContact O-CG2 3.5Å; Q238-T254 HydrophobicContact CB-CG2 4.28Å; Q238-T254 WeakPolarHBondContact O-CG2 3Å; V240-T254 HydrophobicContact CG2-CG2 3.71Å; Y244-T254 CarbonylContact C-O 3.46Å; Y244-T254 WeakPolarHBondContact CA-O 3.43Å; Y244-T254 VanDerWaalsContact CB-O 3.31Å; Y244-T254 WeakPolarHBondContact CB-O 3.43Å; K245-T254 PolarHBondContact N-O 2.97Å; K245-T254 PolarHBondContact O-N 3.36Å
255V98.8Very high97Very high0 Ų042.2 Ų42.20%019%0.194CC..EExtended strand (participates in β ladder)trans-118.9130.5177.3-178.90000108.3G52 M79 R235 A236 V253 M272G52-V255 WeakPolarHBondContact CA-O 3.44Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.32Å; R235-V255 PolarHBondContact O-N 3.46Å; A236-V255 WeakPolarHBondContact CA-O 3.35Å; V253-V255 HydrophobicContact CG1-CG2 4.35Å; V253-V255 HydrophobicContact CG2-CG2 4.31Å; V255-M272 HydrophobicContact CG2-CB 4.02Å
256W98.8Very high96.9Very high4 Ų440.1 Ų40.12%0.01520%0.201CC..  trans-124.8124.2-179.1-175.8-90.2000110.4D53 H55 L239 G243 A258 Y261 N267 A269 S270D53-W256 HydrophobicContact CB-CD2 4.47Å; D53-W256 HydrophobicContact CB-CE3 4.05Å; D53-W256 HydrophobicContact CB-CH2 3.88Å; D53-W256 HydrophobicContact CB-CZ2 4.3Å; D53-W256 HydrophobicContact CB-CZ3 3.76Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.37Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.41Å; H55-W256 AromaticContact CD2-CH2 3.97Å; L239-W256 HydrophobicContact CB-CE3 4.45Å; L239-W256 HydrophobicContact CB-CH2 4.36Å; L239-W256 HydrophobicContact CB-CZ2 4.43Å; L239-W256 HydrophobicContact CB-CZ3 4.35Å; L239-W256 HydrophobicContact CD1-CD2 3.91Å; L239-W256 VanDerWaalsContact CD1-CE2 3.42Å; L239-W256 HydrophobicContact CD1-CG 4.19Å; L239-W256 HydrophobicContact CD1-CZ2 3.79Å; G243-W256 PolarHBondContact O-N 2.83Å; W256-A258 HydrophobicContact CZ2-CB 4.13Å; W256-A258 PolarHBondContact NE1-O 3.05Å; W256-Y261 HydrophobicContact CH2-CD1 4.41Å; W256-Y261 HydrophobicContact CH2-CD2 4.45Å; W256-Y261 HydrophobicContact CH2-CE1 4.27Å; W256-Y261 HydrophobicContact CH2-CE2 4.33Å; W256-Y261 HydrophobicContact CH2-CG 4.46Å; W256-Y261 AromaticContact CZ2-CD1 3.93Å; W256-Y261 HydrophobicContact CZ2-CD1 3.93Å; W256-Y261 AromaticContact CZ2-CD2 3.7Å; W256-Y261 HydrophobicContact CZ2-CD2 3.7Å; W256-Y261 HydrophobicContact CZ2-CE1 4.21Å; W256-Y261 HydrophobicContact CZ2-CE2 4.01Å; W256-Y261 AromaticContact CZ2-CG 3.63Å; W256-Y261 HydrophobicContact CZ2-CG 3.63Å; W256-N267 VanDerWaalsContact CD1-ND2 3.31Å; W256-N267 PolarHBondContact NE1-ND2 2.85Å; W256-A269 CarbonylContact O-C 3.55Å; W256-A269 WeakPolarHBondContact O-CA 3.15Å; W256-S270 PolarHBondContact O-N 2.86Å
257S98.8Very high96.9Very high1 Ų137.8 Ų37.81%0.00719%0.191CC..  trans-114.98.6-169.9-61.80000114.7G52 D53 P259 S270 F285G52-S257 PolarHBondContact N-OG 2.73Å; D53-S257 CarbonylContact O-C 3.08Å; D53-S257 WeakPolarHBondContact O-CA 3.31Å; D53-S257 WeakPolarHBondContact O-CB 3.12Å; D53-S257 PolarHBondContact O-N 3.23Å; S257-P259 WeakPolarHBondContact O-CD 3.39Å; S257-S270 PolarHBondContact OG-O 3.12Å; S257-F285 WeakPolarHBondContact O-CZ 3.45Å
258A98.4Very high96.9Very high0 Ų038.7 Ų38.70%020%0.196CC..  trans-109.294.3177.200000111.8D53 W256 Y261 N267D53-A258 PolarHBondContact O-N 3.49Å; W256-A258 HydrophobicContact CZ2-CB 4.13Å; W256-A258 PolarHBondContact NE1-O 3.05Å; A258-Y261 HydrophobicContact CB-CD2 4.24Å; A258-N267 PolarHBondContact O-ND2 2.93Å
259P98.2Very high96.9Very high0 Ų037.6 Ų37.60%019%0.191CC..THydrogen-bonded Turntrans-73.3151.1-176.631.6-35.8000111.3Q57 D60 S257 Y261 A269 F285 A287Q57-P259 PolarHBondContact NE2-O 3.11Å; D60-P259 HydrophobicContact CB-CG 3.82Å; S257-P259 WeakPolarHBondContact O-CD 3.39Å; P259-Y261 PolarHBondContact O-N 2.8Å; P259-A269 HydrophobicContact CB-CB 3.67Å; P259-A269 HydrophobicContact CG-CB 3.99Å; P259-F285 HydrophobicContact CG-CD2 4.23Å; P259-F285 HydrophobicContact CG-CE2 3.96Å; P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 HydrophobicContact CG-CB 4.03Å
260N96.9Very high97Very high44 Ų4431.2 Ų31.224%0.23516%0.157CC..THydrogen-bonded Turntrans42.754.4-173-173.131.9000111.7Y263 R264 C265 G266 N267 A287N260-Y263 PolarHBondContact ND2-O 2.7Å; N260-Y263 WeakPolarHBondContact O-CA 3.28Å; N260-Y263 PolarHBondContact O-N 3.3Å; N260-R264 PolarHBondContact OD1-N 3.27Å; N260-C265 PolarHBondContact OD1-N 3.21Å; N260-G266 WeakPolarHBondContact OD1-CA 3.28Å; N260-G266 PolarHBondContact OD1-N 2.73Å; N260-N267 PolarHBondContact N-O 3.39Å; N260-N267 PolarHBondContact N-OD1 3.44Å; N260-A287 HydrophobicContact CB-CB 3.69Å
261Y96.4Very high97.1Very high30 Ų3026 Ų2612%0.11813%0.133CC..G310 helixtrans-51.8140.8-170.2176.7-125.9000112.5H55 R85 L239 W256 A258 P259 Y263 R264 C265 N267H55-Y261 HydrophobicContact CB-CD2 4.46Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.18Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.27Å; H55-Y261 AromaticContact CD2-CZ 3.6Å; H55-Y261 PolarHBondContact CD2-OH 3.44Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.86Å; H55-Y261 AromaticContact NE2-CZ 3.77Å; H55-Y261 PolarHBondContact NE2-OH 3.23Å; H55-Y261 VanDerWaalsContact NE2-OH 3.09Å; R85-Y261 HydrophobicContact CB-CE2 4.05Å; R85-Y261 HydrophobicContact CG-CE2 4.31Å; R85-Y261 WeakPolarHBondContact CG-OH 3.36Å; L239-Y261 HydrophobicContact CD2-CD1 4.45Å; W256-Y261 HydrophobicContact CH2-CD1 4.41Å; W256-Y261 HydrophobicContact CH2-CD2 4.45Å; W256-Y261 HydrophobicContact CH2-CE1 4.27Å; W256-Y261 HydrophobicContact CH2-CE2 4.33Å; W256-Y261 HydrophobicContact CH2-CG 4.46Å; W256-Y261 AromaticContact CZ2-CD1 3.93Å; W256-Y261 HydrophobicContact CZ2-CD1 3.93Å; W256-Y261 AromaticContact CZ2-CD2 3.7Å; W256-Y261 HydrophobicContact CZ2-CD2 3.7Å; W256-Y261 HydrophobicContact CZ2-CE1 4.21Å; W256-Y261 HydrophobicContact CZ2-CE2 4.01Å; W256-Y261 AromaticContact CZ2-CG 3.63Å; W256-Y261 HydrophobicContact CZ2-CG 3.63Å; A258-Y261 HydrophobicContact CB-CD2 4.24Å; P259-Y261 PolarHBondContact O-N 2.8Å; Y261-Y263 PolarHBondContact O-N 3.25Å; Y261-R264 PolarHBondContact O-N 2.95Å; Y261-R264 VanDerWaalsContact O-N 3.07Å; Y261-C265 WeakPolarHBondContact O-CB 3.44Å; Y261-C265 PolarHBondContact O-N 2.9Å; Y261-C265 PolarHBondContact O-SG 2.77Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.46Å; Y261-N267 PolarHBondContact N-OD1 3.25Å
262C91.8Very high97.1Very high16 Ų1622.7 Ų22.711%0.10812%0.118CC..G310 helixtrans5324.1-172.9-62.20000113.4R264C262-R264 HydrophobicContact CB-CG 4.1Å; C262-R264 PolarHBondContact O-N 3.35Å
263Y91.4Very high97.1Very high48 Ų4823.5 Ų23.519%0.18812%0.123CC..G310 helixtrans59.620.1-175.7-42-62.6000114.8Q57 Y87 N260 Y261 R293 F304Q57-Y263 HydrophobicContact CG-CE1 4.21Å; Y87-Y263 HydrophobicContact CD1-CE2 4.32Å; Y87-Y263 HydrophobicContact CD2-CD2 4.31Å; Y87-Y263 HydrophobicContact CD2-CE1 4.49Å; Y87-Y263 AromaticContact CD2-CE2 3.36Å; Y87-Y263 HydrophobicContact CD2-CE2 3.36Å; Y87-Y263 AromaticContact CD2-CZ 3.48Å; Y87-Y263 VanDerWaalsContact CD2-CZ 3.48Å; Y87-Y263 VanDerWaalsContact CD2-OH 3.3Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.33Å; Y87-Y263 HydrophobicContact CE1-CE2 4.15Å; Y87-Y263 AromaticContact CE2-CD2 3.62Å; Y87-Y263 HydrophobicContact CE2-CD2 3.62Å; Y87-Y263 HydrophobicContact CE2-CE1 4.5Å; Y87-Y263 AromaticContact CE2-CE2 3.1Å; Y87-Y263 HydrophobicContact CE2-CE2 3.1Å; Y87-Y263 HydrophobicContact CE2-CG 4.47Å; Y87-Y263 AromaticContact CE2-CZ 3.64Å; Y87-Y263 AromaticContact CG-CE2 3.96Å; Y87-Y263 HydrophobicContact CG-CE2 3.96Å; Y87-Y263 AromaticContact CZ-CD2 3.83Å; Y87-Y263 AromaticContact CZ-CE2 3.52Å; Y87-Y263 PolarHBondContact N-OH 3.17Å; N260-Y263 PolarHBondContact ND2-O 2.7Å; N260-Y263 WeakPolarHBondContact O-CA 3.28Å; N260-Y263 PolarHBondContact O-N 3.3Å; Y261-Y263 PolarHBondContact O-N 3.25Å; Y263-R293 VanDerWaalsContact CE1-NH1 3.27Å; Y263-F304 HydrophobicContact CD2-CD1 4.34Å; Y263-F304 AromaticContact CD2-CE1 3.52Å; Y263-F304 HydrophobicContact CD2-CE1 3.52Å; Y263-F304 AromaticContact CD2-CZ 3.88Å; Y263-F304 HydrophobicContact CD2-CZ 3.88Å; Y263-F304 AromaticContact CE2-CE1 3.54Å; Y263-F304 HydrophobicContact CE2-CE1 3.54Å; Y263-F304 HydrophobicContact CE2-CE2 4.4Å; Y263-F304 AromaticContact CE2-CZ 3.38Å; Y263-F304 HydrophobicContact CE2-CZ 3.38Å
264R92.7Very high97.1Very high193 Ų19323.6 Ų23.673%0.72812%0.124SC*.THydrogen-bonded Turntrans-143.9-21.5-173.269-172.6-174-177.50.7116.2N260 Y261 C262 G266N260-R264 PolarHBondContact OD1-N 3.27Å; Y261-R264 PolarHBondContact O-N 2.95Å; Y261-R264 VanDerWaalsContact O-N 3.07Å; C262-R264 HydrophobicContact CB-CG 4.1Å; C262-R264 PolarHBondContact O-N 3.35Å; R264-G266 VanDerWaalsContact C-N 3.34Å; R264-G266 PolarHBondContact O-N 3.29Å
265C94Very high97Very high41 Ų4128.8 Ų28.828%0.27715%0.146SC..SBendtrans-75.3-19.4-171.9-70.30000114.1L239 N260 Y261 N267L239-C265 HydrophobicContact CD2-CB 4.04Å; N260-C265 PolarHBondContact OD1-N 3.21Å; Y261-C265 WeakPolarHBondContact O-CB 3.44Å; Y261-C265 PolarHBondContact O-N 2.9Å; Y261-C265 PolarHBondContact O-SG 2.77Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; C265-N267 PolarHBondContact O-N 2.85Å; C265-N267 VanDerWaalsContact O-N 3.12Å
266G95.9Very high96.9Very high57 Ų5730.2 Ų30.259%0.58815%0.154SC*.  trans68.25.7176.400000116.1N260 R264N260-G266 WeakPolarHBondContact OD1-CA 3.28Å; N260-G266 PolarHBondContact OD1-N 2.73Å; R264-G266 VanDerWaalsContact C-N 3.34Å; R264-G266 PolarHBondContact O-N 3.29Å
267N98.2Very high96.6Very high6 Ų631.8 Ų31.83%0.03216%0.164CC..  trans-67.3157.5175.166-73.2000112.1L239 H241 W256 A258 N260 Y261 C265L239-N267 HydrophobicContact CD1-CB 3.97Å; L239-N267 VanDerWaalsContact CD1-CG 3.49Å; H241-N267 WeakPolarHBondContact O-CA 3.49Å; W256-N267 VanDerWaalsContact CD1-ND2 3.31Å; W256-N267 PolarHBondContact NE1-ND2 2.85Å; A258-N267 PolarHBondContact O-ND2 2.93Å; N260-N267 PolarHBondContact N-O 3.39Å; N260-N267 PolarHBondContact N-OD1 3.44Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.46Å; Y261-N267 PolarHBondContact N-OD1 3.25Å; C265-N267 PolarHBondContact O-N 2.85Å; C265-N267 VanDerWaalsContact O-N 3.12Å
268I97.7Very high96.3Very high35 Ų3536.1 Ų36.118%0.17919%0.194CC..  trans-89.1168.4162.866.6176.5000110H241 E242 G243 L284 R286H241-I268 WeakPolarHBondContact O-CG1 3.5Å; H241-I268 PolarHBondContact O-N 3.4Å; E242-I268 WeakPolarHBondContact O-CD1 3.45Å; E242-I268 WeakPolarHBondContact O-CG1 3.46Å; G243-I268 WeakPolarHBondContact CA-O 3.45Å; I268-L284 HydrophobicContact CD1-CB 4.47Å; I268-L284 HydrophobicContact CD1-CD1 3.88Å; I268-L284 HydrophobicContact CD1-CD2 4.09Å; I268-L284 HydrophobicContact CD1-CG 4.37Å; I268-R286 HydrophobicContact CG2-CG 4.24Å
269A98.6Very high96.2Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-117.3161.4175.300000111W256 P259 L284 F285W256-A269 CarbonylContact O-C 3.55Å; W256-A269 WeakPolarHBondContact O-CA 3.15Å; P259-A269 HydrophobicContact CB-CB 3.67Å; P259-A269 HydrophobicContact CG-CB 3.99Å; A269-L284 WeakPolarHBondContact O-CA 3.3Å; A269-F285 HydrophobicContact CB-CD1 4.12Å; A269-F285 HydrophobicContact CB-CD2 4.12Å; A269-F285 HydrophobicContact CB-CE1 3.65Å; A269-F285 HydrophobicContact CB-CE2 3.67Å; A269-F285 HydrophobicContact CB-CG 4.34Å; A269-F285 HydrophobicContact CB-CZ 3.41Å; A269-F285 VanDerWaalsContact CB-CZ 3.41Å; A269-F285 PolarHBondContact N-O 2.97Å; A269-F285 PolarHBondContact O-N 3.42Å
270S98.8Very high96Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-140163174.481.30000112.6G243 W256 S257 K283G243-S270 VanDerWaalsContact C-OG 3.28Å; G243-S270 PolarHBondContact O-OG 3.44Å; W256-S270 PolarHBondContact O-N 2.86Å; S257-S270 PolarHBondContact OG-O 3.12Å; S270-K283 CarbonylContact C-O 3.56Å; S270-K283 WeakPolarHBondContact CA-O 3.47Å
271I98.8Very high96Very high0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-126.6148.4160.353.8-179.1000108.2T49 C51 L64 T67 G68 P282 K283 F285T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.79Å; T49-I271 HydrophobicContact CG2-CG1 4.11Å; T49-I271 HydrophobicContact CG2-CG2 4.36Å; C51-I271 HydrophobicContact CB-CG2 4.4Å; L64-I271 HydrophobicContact CD1-CG2 3.76Å; L64-I271 HydrophobicContact CD2-CG2 4.18Å; L64-I271 HydrophobicContact CG-CG2 3.61Å; T67-I271 HydrophobicContact CG2-CD1 4.09Å; G68-I271 VanDerWaalsContact CA-CD1 3.41Å; I271-P282 CarbonylContact O-C 3.56Å; I271-P282 WeakPolarHBondContact O-CA 3.4Å; I271-K283 HydrophobicContact CD1-CB 4.23Å; I271-K283 HydrophobicContact CD1-CD 4.31Å; I271-K283 HydrophobicContact CG1-CB 3.8Å; I271-K283 PolarHBondContact N-O 2.91Å; I271-K283 PolarHBondContact O-N 3.21Å; I271-F285 HydrophobicContact CG2-CE1 4.18Å
272M98.7Very high96.1Very high0 Ų049.6 Ų49.60%025%0.25CS..EExtended strand (participates in β ladder)trans-104.7112.8178.3-172.964.365.600110V50 Y244 F246 V253 V255 F274 R280 P282V50-M272 HydrophobicContact CB-CB 4.4Å; V50-M272 PolarHBondContact N-O 2.77Å; V50-M272 PolarHBondContact O-N 2.81Å; Y244-M272 HydrophobicContact CD2-CE 4.43Å; F246-M272 HydrophobicContact CE2-CE 4.45Å; F246-M272 HydrophobicContact CZ-CE 3.93Å; V253-M272 HydrophobicContact CG2-CE 3.99Å; V255-M272 HydrophobicContact CG2-CB 4.02Å; M272-F274 HydrophobicContact CB-CE2 4.03Å; M272-F274 HydrophobicContact CG-CD2 4.13Å; M272-F274 HydrophobicContact CG-CE1 4.35Å; M272-F274 HydrophobicContact CG-CE2 3.37Å; M272-F274 HydrophobicContact CG-CZ 3.51Å; M272-R280 HydrophobicContact SD-CB 3.99Å; M272-R280 HydrophobicContact SD-CG 4.41Å; M272-P282 HydrophobicContact CE-CB 4.02Å; M272-P282 HydrophobicContact SD-CB 4.32Å
273V98.7Very high96.4Very high17 Ų1752 Ų5210%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-92.9122.7179.7-177.70000109.7T49 R280 E281 K283T49-V273 HydrophobicContact CG2-CG2 4.26Å; V273-R280 CarbonylContact O-C 3.5Å; V273-R280 VanDerWaalsContact O-CA 3.3Å; V273-R280 WeakPolarHBondContact O-CA 3.4Å; V273-E281 PolarHBondContact N-O 3.05Å; V273-E281 PolarHBondContact O-N 3.47Å; V273-K283 HydrophobicContact CG2-CD 3.83Å; V273-K283 HydrophobicContact CG2-CG 4.07Å
274F98.5Very high96.7Very high1 Ų154 Ų540%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-105.1114.6172-65.7-86.7000109.6T46 P47 V48 V50 I155 I159 L232 M272 R280T46-F274 HydrophobicContact CG2-CB 3.96Å; P47-F274 VanDerWaalsContact CA-O 3.27Å; P47-F274 WeakPolarHBondContact CA-O 3.04Å; V48-F274 HydrophobicContact CG1-CB 4.22Å; V48-F274 PolarHBondContact N-O 2.8Å; V48-F274 PolarHBondContact O-N 3.34Å; V50-F274 HydrophobicContact CB-CE2 4.23Å; V50-F274 HydrophobicContact CG2-CD2 3.8Å; V50-F274 HydrophobicContact CG2-CE2 3.65Å; I155-F274 HydrophobicContact CD1-CD2 4.41Å; I159-F274 HydrophobicContact CD1-CD1 3.52Å; I159-F274 HydrophobicContact CD1-CE1 3.51Å; I159-F274 HydrophobicContact CD1-CG 4.25Å; I159-F274 HydrophobicContact CD1-CZ 4.24Å; I159-F274 HydrophobicContact CG2-CZ 4.31Å; L232-F274 HydrophobicContact CD2-CE1 3.86Å; L232-F274 HydrophobicContact CD2-CZ 3.7Å; M272-F274 HydrophobicContact CB-CE2 4.03Å; M272-F274 HydrophobicContact CG-CD2 4.13Å; M272-F274 HydrophobicContact CG-CE1 4.35Å; M272-F274 HydrophobicContact CG-CE2 3.37Å; M272-F274 HydrophobicContact CG-CZ 3.51Å; F274-R280 HydrophobicContact CD1-CB 3.72Å; F274-R280 HydrophobicContact CE1-CB 3.54Å; F274-R280 HydrophobicContact CZ-CB 4.31Å
275K97.5Very high97Very high111 Ų11145.4 Ų45.448%0.48324%0.24SC..SBendtrans-81.1-32.9170.2-67.5177.2-174.5158.70111.1R279 E281K275-R279 HydrophobicContact CB-CB 4.2Å; K275-R279 PolarHBondContact N-O 3.01Å; K275-E281 IonicContact NZ-OE2 3.23Å; K275-E281 PolarHBondContact NZ-OE2 3.07Å
276D95.9Very high97.2Very high31 Ų3152.3 Ų52.317%0.16626%0.26CS..SBendtrans-159.9179.4168.756.560.1000108.6S278 R279D276-S278 PolarHBondContact O-N 3.41Å; D276-S278 WeakPolarHBondContact OD1-CA 2.75Å; D276-S278 WeakPolarHBondContact OD1-CB 3.3Å; D276-S278 PolarHBondContact OD1-N 2.92Å; D276-S278 PolarHBondContact OD1-OG 3.27Å; D276-R279 PolarHBondContact O-N 3.1Å; D276-R279 PolarHBondContact OD1-N 3.03Å; D276-R279 IonicContact OD1-NE 3.96Å; D276-R279 IonicContact OD2-CZ 3.1Å; D276-R279 IonicContact OD2-NE 2.67Å; D276-R279 PolarHBondContact OD2-NE 3.49Å; D276-R279 IonicContact OD2-NH2 2.69Å; D276-R279 PolarHBondContact OD2-NH2 3.47Å
277V92.6Very high97.3Very high37 Ų3751 Ų5122%0.22425%0.245CC..SBendtrans-54.8-20.3178.7-64.90000115.8D156 Q158D156-V277 HydrophobicContact CB-CG1 3.34Å; Q158-V277 HydrophobicContact CB-CB 4.5Å; Q158-V277 HydrophobicContact CB-CG1 4Å; Q158-V277 HydrophobicContact CG-CG1 4.47Å
278S92.4Very high97.2Very high91 Ų9151.3 Ų51.364%0.63625%0.246SC*.SBendtrans-107.3-23.9-177.1680000113.4D276D276-S278 PolarHBondContact O-N 3.41Å; D276-S278 WeakPolarHBondContact OD1-CA 2.75Å; D276-S278 WeakPolarHBondContact OD1-CB 3.3Å; D276-S278 PolarHBondContact OD1-N 2.92Å; D276-S278 PolarHBondContact OD1-OG 3.27Å
279R95.4Very high96.9Very high152 Ų15252.8 Ų52.857%0.57426%0.258SS*.  trans-108.897-176.7-68.8-173.4-67.4176.8-0.7110.5K275 D276K275-R279 HydrophobicContact CB-CB 4.2Å; K275-R279 PolarHBondContact N-O 3.01Å; D276-R279 PolarHBondContact O-N 3.1Å; D276-R279 PolarHBondContact OD1-N 3.03Å; D276-R279 IonicContact OD1-NE 3.96Å; D276-R279 IonicContact OD2-CZ 3.1Å; D276-R279 IonicContact OD2-NE 2.67Å; D276-R279 PolarHBondContact OD2-NE 3.49Å; D276-R279 IonicContact OD2-NH2 2.69Å; D276-R279 PolarHBondContact OD2-NH2 3.47Å
280R95Very high96.4Very high77 Ų7757.6 Ų57.629%0.29128%0.284SS..EExtended strand (participates in β ladder)trans-110.4140.4173.367-173.4176-150.52.6111.3E250 M272 V273 F274E250-R280 IonicContact OE2-CZ 3.94Å; E250-R280 IonicContact OE2-NH2 2.73Å; E250-R280 PolarHBondContact OE2-NH2 3.16Å; M272-R280 HydrophobicContact SD-CB 3.99Å; M272-R280 HydrophobicContact SD-CG 4.41Å; V273-R280 CarbonylContact O-C 3.5Å; V273-R280 VanDerWaalsContact O-CA 3.3Å; V273-R280 WeakPolarHBondContact O-CA 3.4Å; F274-R280 HydrophobicContact CD1-CB 3.72Å; F274-R280 HydrophobicContact CE1-CB 3.54Å; F274-R280 HydrophobicContact CZ-CB 4.31Å
281E97Very high96Very high87 Ų8762.9 Ų62.941%0.40732%0.321SS..EExtended strand (participates in β ladder)trans-140.1115.7-179-176.6-178.4170.100109.8V273 K275V273-E281 PolarHBondContact N-O 3.05Å; V273-E281 PolarHBondContact O-N 3.47Å; K275-E281 IonicContact NZ-OE2 3.23Å; K275-E281 PolarHBondContact NZ-OE2 3.07Å
282P97.8Very high95.5Very high41 Ų4168.6 Ų68.627%0.26635%0.348SS..EExtended strand (participates in β ladder)trans-74.4130.5171.729.8-31.2000109.6Y244 I271 M272Y244-P282 HydrophobicContact CD1-CB 3.78Å; Y244-P282 HydrophobicContact CD1-CG 4.41Å; Y244-P282 HydrophobicContact CE1-CB 3.58Å; Y244-P282 HydrophobicContact CE1-CG 3.75Å; Y244-P282 HydrophobicContact CE2-CB 4.41Å; Y244-P282 HydrophobicContact CE2-CG 4.2Å; Y244-P282 HydrophobicContact CG-CB 4.28Å; I271-P282 CarbonylContact O-C 3.56Å; I271-P282 WeakPolarHBondContact O-CA 3.4Å; M272-P282 HydrophobicContact CE-CB 4.02Å; M272-P282 HydrophobicContact SD-CB 4.32Å
283K98.6Very high95Very high68 Ų6869.9 Ų69.930%0.29635%0.353SS..EExtended strand (participates in β ladder)trans-107.9124.1167.9-64.4-178.4171.8-179.50109.4T67 S270 I271 V273T67-K283 HydrophobicContact CG2-CB 3.76Å; T67-K283 HydrophobicContact CG2-CD 4.17Å; T67-K283 WeakPolarHBondContact O-CD 3.08Å; T67-K283 PolarHBondContact O-NZ 2.89Å; T67-K283 VanDerWaalsContact O-NZ 3.1Å; S270-K283 CarbonylContact C-O 3.56Å; S270-K283 WeakPolarHBondContact CA-O 3.47Å; I271-K283 HydrophobicContact CD1-CB 4.23Å; I271-K283 HydrophobicContact CD1-CD 4.31Å; I271-K283 HydrophobicContact CG1-CB 3.8Å; I271-K283 PolarHBondContact N-O 2.91Å; I271-K283 PolarHBondContact O-N 3.21Å; V273-K283 HydrophobicContact CG2-CD 3.83Å; V273-K283 HydrophobicContact CG2-CG 4.07Å
284L98.6Very high94.5Very high90 Ų9073.3 Ų73.347%0.47137%0.373SS..EExtended strand (participates in β ladder)trans-96145.2-177.1-58.2177.4000111.1Y244 I268 A269Y244-L284 HydrophobicContact CD1-CD2 3.92Å; Y244-L284 HydrophobicContact CE1-CD2 3.92Å; I268-L284 HydrophobicContact CD1-CB 4.47Å; I268-L284 HydrophobicContact CD1-CD1 3.88Å; I268-L284 HydrophobicContact CD1-CD2 4.09Å; I268-L284 HydrophobicContact CD1-CG 4.37Å; A269-L284 WeakPolarHBondContact O-CA 3.3Å
285F98.6Very high93.8Very high11 Ų1177.8 Ų77.85%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-145.7159.5172.464-79.3000111.2E63 L64 S257 P259 A269 I271E63-F285 HydrophobicContact CB-CD2 4.35Å; E63-F285 HydrophobicContact CG-CB 4.35Å; E63-F285 HydrophobicContact CG-CD2 4.02Å; L64-F285 HydrophobicContact CB-CE1 4.39Å; L64-F285 HydrophobicContact CB-CE2 4.26Å; L64-F285 HydrophobicContact CB-CZ 3.89Å; L64-F285 HydrophobicContact CD1-CZ 4.21Å; L64-F285 HydrophobicContact CG-CE1 4.46Å; L64-F285 HydrophobicContact CG-CZ 4.25Å; S257-F285 WeakPolarHBondContact O-CZ 3.45Å; P259-F285 HydrophobicContact CG-CD2 4.23Å; P259-F285 HydrophobicContact CG-CE2 3.96Å; A269-F285 HydrophobicContact CB-CD1 4.12Å; A269-F285 HydrophobicContact CB-CD2 4.12Å; A269-F285 HydrophobicContact CB-CE1 3.65Å; A269-F285 HydrophobicContact CB-CE2 3.67Å; A269-F285 HydrophobicContact CB-CG 4.34Å; A269-F285 HydrophobicContact CB-CZ 3.41Å; A269-F285 VanDerWaalsContact CB-CZ 3.41Å; A269-F285 PolarHBondContact N-O 2.97Å; A269-F285 PolarHBondContact O-N 3.42Å; I271-F285 HydrophobicContact CG2-CE1 4.18Å
286R98Very high93Very high186 Ų18673.5 Ų73.570%0.70238%0.38SS*.  trans-108.6165.3-178.4-69.1-175.9176.4-86.4-1.9110.3I268 V288I268-R286 HydrophobicContact CG2-CG 4.24Å; R286-V288 PolarHBondContact O-N 3.24Å
287A97.1Very high92Very high31 Ų3176.1 Ų76.126%0.25640%0.399SS..PPolyproline II helixtrans-61.3132175.400000110D60 P259 N260D60-A287 WeakPolarHBondContact OD1-CA 3.22Å; P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 HydrophobicContact CG-CB 4.03Å; N260-A287 HydrophobicContact CB-CB 3.69Å
288V96.1Very high90.7Very high11 Ų1185.4 Ų85.47%0.06743%0.43CS..PPolyproline II helixtrans-53.6134.7168.5175.70000109Y59 D60 E63 R286 E292 R293Y59-V288 WeakPolarHBondContact O-CG2 3.45Å; D60-V288 PolarHBondContact OD1-N 2.97Å; E63-V288 HydrophobicContact CB-CG2 3.82Å; E63-V288 HydrophobicContact CG-CG2 4.36Å; R286-V288 PolarHBondContact O-N 3.24Å; V288-E292 HydrophobicContact CG1-CB 3.7Å; V288-R293 HydrophobicContact CG1-CG 4.15Å; V288-R293 VanDerWaalsContact N-NH2 3.11Å; V288-R293 PolarHBondContact O-NE 3.47Å; V288-R293 PolarHBondContact O-NH2 3.18Å
289P92.9Very high89.2Confident67 Ų6787.2 Ų87.244%0.43544%0.437SS..PPolyproline II helixtrans-60.8148.8179.9-24.434.8000113.1S291 E292P289-S291 PolarHBondContact O-N 3Å; P289-S291 VanDerWaalsContact O-N 3.13Å; P289-E292 PolarHBondContact O-N 3.24Å
290D88.4Confident87.4Confident101 Ų10181.6 Ų81.654%0.5442%0.419SS..G310 helixtrans-57.8-28.8177.9-73.3-11.9000113.2E292 R293 I295D290-E292 PolarHBondContact O-N 2.94Å; D290-R293 PolarHBondContact O-N 3.13Å; D290-I295 HydrophobicContact CB-CD1 4.35Å
291S89.6Confident85.6Confident110 Ų11078.3 Ų78.377%0.76941%0.408SS*.G310 helixtrans-64.5-19.7175.453.40000114.1P289P289-S291 PolarHBondContact O-N 3Å; P289-S291 VanDerWaalsContact O-N 3.13Å
292E87.9Confident83.6Confident120 Ų12077.5 Ų77.556%0.56141%0.41SS*.G310 helixtrans-104.96.1-180-65.7178.3-123.800112.1V288 P289 D290V288-E292 HydrophobicContact CG1-CB 3.7Å; P289-E292 PolarHBondContact O-N 3.24Å; D290-E292 PolarHBondContact O-N 2.94Å
293R88.7Confident81.9Confident28 Ų2877.7 Ų77.711%0.10641%0.406CS..SBendtrans-112.8148.9179.6-61.1176.3-178-154.3-6.2110.2Y59 D60 Y263 V288 D290Y59-R293 HydrophobicContact CD2-CB 4.02Å; Y59-R293 HydrophobicContact CD2-CG 3.86Å; Y59-R293 HydrophobicContact CE2-CB 4.12Å; Y59-R293 HydrophobicContact CE2-CG 4.45Å; Y59-R293 HydrophobicContact CG-CB 4.43Å; Y59-R293 HydrophobicContact CG-CG 3.93Å; D60-R293 IonicContact OD1-CZ 2.68Å; D60-R293 IonicContact OD1-NH2 3.61Å; D60-R293 PolarHBondContact OD1-NH2 2.95Å; D60-R293 IonicContact OD2-CZ 2.8Å; D60-R293 IonicContact OD2-NH1 2.75Å; D60-R293 IonicContact OD2-NH2 3.76Å; D60-R293 PolarHBondContact OD2-NH2 3.5Å; Y263-R293 VanDerWaalsContact CE1-NH1 3.27Å; V288-R293 HydrophobicContact CG1-CG 4.15Å; V288-R293 VanDerWaalsContact N-NH2 3.11Å; V288-R293 PolarHBondContact O-NE 3.47Å; V288-R293 PolarHBondContact O-NH2 3.18Å; D290-R293 PolarHBondContact O-N 3.13Å
294V87.1Confident79.7Confident89 Ų8977.2 Ų77.254%0.53940%0.404SS..  trans-83132.6157-178.70000106.5Y59 Y88Y59-V294 WeakPolarHBondContact OH-CB 3.18Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.3Å; Y59-V294 PolarHBondContact OH-N 2.85Å; Y88-V294 WeakPolarHBondContact CE2-O 3.16Å; Y88-V294 VanDerWaalsContact OH-C 3.25Å; Y88-V294 WeakPolarHBondContact OH-CB 3.1Å; Y88-V294 PolarHBondContact OH-O 3.41Å
295I83.6Confident76.8Confident95 Ų9583.2 Ų83.249%0.48744%0.436SS..  trans-107.9117.9171.9-60.2176000106.1Y87 D290Y87-I295 HydrophobicContact CE2-CG2 4.27Å; D290-I295 HydrophobicContact CB-CD1 4.35Å
296P80.9Confident75.8Confident21 Ų2186.9 Ų86.914%0.13646%0.455CS..  trans-68.6155-179.326.8-29.6000111Y87 T301Y87-P296 HydrophobicContact CD1-CG 3.75Å; Y87-P296 HydrophobicContact CD2-CG 4.19Å; Y87-P296 HydrophobicContact CE1-CG 4.43Å; Y87-P296 HydrophobicContact CG-CG 3.63Å; P296-T301 HydrophobicContact CG-CG2 4.2Å
297P74.8Confident74.6Confident86 Ų8681.6 Ų81.656%0.55844%0.442SS*.  trans-57.5144.5174-20.831.9000111.3T299 T300P297-T299 PolarHBondContact O-N 3.33Å; P297-T300 WeakPolarHBondContact O-CB 3.47Å; P297-T300 PolarHBondContact O-N 2.79Å; P297-T300 PolarHBondContact O-OG1 3.45Å
298R65.9Low73.3Confident232 Ų23284.4 Ų84.488%0.87545%0.452SS*.THydrogen-bonded Turntrans-55.2-27.2179.9-76.6-175.3170.2-176-3.7114.4T300 T301R298-T300 PolarHBondContact O-N 3.28Å; R298-T301 PolarHBondContact O-N 3.31Å
299T60.3Low72Confident128 Ų12888.8 Ų88.879%0.78548%0.475SS*.THydrogen-bonded Turntrans-66.1-21.5176.746.80000113.3P297P297-T299 PolarHBondContact O-N 3.33Å
300T58.3Low70.7Confident34 Ų3490.1 Ų90.121%0.20948%0.477CS..THydrogen-bonded Turntrans-87.6-24-177.8-52.40000112.3T131 P297 R298T131-T300 HydrophobicContact CG2-CG2 3.85Å; P297-T300 WeakPolarHBondContact O-CB 3.47Å; P297-T300 PolarHBondContact O-N 2.79Å; P297-T300 PolarHBondContact O-OG1 3.45Å; R298-T300 PolarHBondContact O-N 3.28Å
301T58.3Low69.5Low9 Ų989.4 Ų89.46%0.05547%0.473CS..  trans-138.672.7-17559.20000111Y87 P296 R298 Y303Y87-T301 HydrophobicContact CD1-CG2 3.81Å; Y87-T301 WeakPolarHBondContact CD1-OG1 3.45Å; Y87-T301 WeakPolarHBondContact CE1-OG1 3.35Å; P296-T301 HydrophobicContact CG-CG2 4.2Å; R298-T301 PolarHBondContact O-N 3.31Å; T301-Y303 HydrophobicContact CG2-CE1 4.01Å; T301-Y303 WeakPolarHBondContact CG2-OH 3.35Å; T301-Y303 PolarHBondContact O-N 3.03Å
302P55.1Low68.1Low70 Ų7087.9 Ų87.946%0.45545%0.452SS..G310 helixtrans-72.2-12.7-173.729.4-35.2000113.9F304P302-F304 VanDerWaalsContact C-N 3.29Å; P302-F304 PolarHBondContact O-N 2.9Å
303Y61.4Low66.5Low44 Ų4485.5 Ų85.517%0.17344%0.444CS..G310 helixtrans-80.85.1-172.352.6-96.4000115.3G86 T301 L305G86-Y303 PolarHBondContact O-OH 2.89Å; T301-Y303 HydrophobicContact CG2-CE1 4.01Å; T301-Y303 WeakPolarHBondContact CG2-OH 3.35Å; T301-Y303 PolarHBondContact O-N 3.03Å; Y303-L305 PolarHBondContact O-N 3.39Å
304F51.8Low64.7Low59 Ų5990.3 Ų90.326%0.25947%0.472SS..G310 helixtrans-85.920170.4-78.4-88.6000113.6R85 Y87 Y263 P302R85-F304 WeakPolarHBondContact O-CE1 3.45Å; R85-F304 WeakPolarHBondContact O-CZ 3.02Å; Y87-F304 AromaticContact CD1-CD2 3.96Å; Y87-F304 HydrophobicContact CD1-CD2 3.96Å; Y87-F304 AromaticContact CD1-CE2 3.24Å; Y87-F304 HydrophobicContact CD1-CE2 3.24Å; Y87-F304 AromaticContact CD1-CZ 3.78Å; Y87-F304 HydrophobicContact CD1-CZ 3.78Å; Y87-F304 AromaticContact CE1-CD2 3.33Å; Y87-F304 HydrophobicContact CE1-CD2 3.33Å; Y87-F304 HydrophobicContact CE1-CE1 4.33Å; Y87-F304 AromaticContact CE1-CE2 3.02Å; Y87-F304 HydrophobicContact CE1-CE2 3.02Å; Y87-F304 HydrophobicContact CE1-CG 4.1Å; Y87-F304 AromaticContact CE1-CZ 3.55Å; Y87-F304 HydrophobicContact CE1-CZ 3.55Å; Y87-F304 HydrophobicContact CG-CE2 4.24Å; Y87-F304 HydrophobicContact CG-CZ 4.42Å; Y87-F304 AromaticContact CZ-CE2 3.87Å; Y87-F304 AromaticContact CZ-CZ 3.98Å; Y263-F304 HydrophobicContact CD2-CD1 4.34Å; Y263-F304 AromaticContact CD2-CE1 3.52Å; Y263-F304 HydrophobicContact CD2-CE1 3.52Å; Y263-F304 AromaticContact CD2-CZ 3.88Å; Y263-F304 HydrophobicContact CD2-CZ 3.88Å; Y263-F304 AromaticContact CE2-CE1 3.54Å; Y263-F304 HydrophobicContact CE2-CE1 3.54Å; Y263-F304 HydrophobicContact CE2-CE2 4.4Å; Y263-F304 AromaticContact CE2-CZ 3.38Å; Y263-F304 HydrophobicContact CE2-CZ 3.38Å; P302-F304 VanDerWaalsContact C-N 3.29Å; P302-F304 PolarHBondContact O-N 2.9Å
305L38.9Very low62.7Low216 Ų21690.4 Ų90.4100%1.13147%0.466SS*.  trans-96.40175.4-70.4170.3000111Y303Y303-L305 PolarHBondContact O-N 3.39Å

Retrieved 305 of 305 residues in 84.2 ms (Link to these results)

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