A0A077Z737_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z737, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 308 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
1M59.1Low90.3Very high200 Ų200102.2 Ų102.299%0.98552%0.515SS*.  0-57.10-63.5-157.9-58.600112K5M1-K5 WeakPolarHBondContact O-CB 3.49Å; M1-K5 PolarHBondContact O-N 3.34Å; M1-K5 VanDerWaalsContact O-N 3.09Å
2E85.8Confident91Very high130 Ų13093.8 Ų93.861%0.60747%0.473SS*.Hα-helixtrans-66.5-40.2-178.7-162.5178.6149.200113.3K5 K6E2-K5 PolarHBondContact O-N 2.82Å; E2-K6 WeakPolarHBondContact O-CG 3.41Å; E2-K6 PolarHBondContact O-N 3.33Å; E2-K6 VanDerWaalsContact OE1-CE 3.23Å; E2-K6 WeakPolarHBondContact OE1-CE 3.35Å; E2-K6 IonicContact OE1-NZ 2.91Å; E2-K6 PolarHBondContact OE1-NZ 3.22Å
3E88Confident91.5Very high140 Ų14088 Ų8865%0.65444%0.443SS*.Hα-helixtrans-66.7-41.2179.2-160.361-16400112.9K5 K6 L7E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.82Å; E3-K6 PolarHBondContact O-N 3.18Å; E3-L7 WeakPolarHBondContact O-CB 3.5Å; E3-L7 PolarHBondContact O-N 3.08Å
4E91.9Very high91.9Very high147 Ų14791.9 Ų91.969%0.68746%0.456SS*.Hα-helixtrans-62.9-42175.1-175.1-176.6176.100111.5L7 R8E4-L7 PolarHBondContact O-N 3.18Å; E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 PolarHBondContact O-N 2.69Å
5K92.2Very high92.4Very high83 Ų8389.9 Ų89.936%0.36144%0.443SS..Hα-helixtrans-60.5-46.9172.7170.8176.3169.4-178.20111.3M1 E2 E3 L7 R8 L9 M33M1-K5 WeakPolarHBondContact O-CB 3.49Å; M1-K5 PolarHBondContact O-N 3.34Å; M1-K5 VanDerWaalsContact O-N 3.09Å; E2-K5 PolarHBondContact O-N 2.82Å; E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.82Å; K5-L7 PolarHBondContact O-N 3.21Å; K5-R8 PolarHBondContact O-N 2.83Å; K5-L9 HydrophobicContact CG-CD1 3.92Å; K5-L9 WeakPolarHBondContact O-CG 3.26Å; K5-L9 PolarHBondContact O-N 3.06Å; K5-M33 HydrophobicContact CD-CE 3.78Å; K5-M33 VanDerWaalsContact NZ-CE 3.28Å
6K91.6Very high92.7Very high108 Ų10884.5 Ų84.547%0.4742%0.417SS..Hα-helixtrans-59.3-46.6177.3-76.6173.7-178.2164.50111.3E2 E3 R8 L9 A10E2-K6 WeakPolarHBondContact O-CG 3.41Å; E2-K6 PolarHBondContact O-N 3.33Å; E2-K6 VanDerWaalsContact OE1-CE 3.23Å; E2-K6 WeakPolarHBondContact OE1-CE 3.35Å; E2-K6 IonicContact OE1-NZ 2.91Å; E2-K6 PolarHBondContact OE1-NZ 3.22Å; E3-K6 PolarHBondContact O-N 3.18Å; K6-R8 PolarHBondContact O-N 2.9Å; K6-L9 PolarHBondContact O-N 3.39Å; K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.48Å
7L95.1Very high92.8Very high130 Ų13085.6 Ų85.668%0.68142%0.419SS*.Hα-helixtrans-62.5-43.1178-176.162.5000112.1E3 E4 K5 A10 G11E3-L7 WeakPolarHBondContact O-CB 3.5Å; E3-L7 PolarHBondContact O-N 3.08Å; E4-L7 PolarHBondContact O-N 3.18Å; K5-L7 PolarHBondContact O-N 3.21Å; L7-A10 PolarHBondContact O-N 3.25Å; L7-G11 PolarHBondContact O-N 3.33Å
8R97.6Very high93Very high84 Ų8483.5 Ų83.532%0.31741%0.414SS..Hα-helixtrans-63.2-46.4177.2-174.3167.1178.6158.36.6111.6E4 K5 K6 G11 L12 D25 Y29E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 PolarHBondContact O-N 2.69Å; K5-R8 PolarHBondContact O-N 2.83Å; K6-R8 PolarHBondContact O-N 2.9Å; R8-G11 PolarHBondContact O-N 3.06Å; R8-L12 HydrophobicContact CG-CD1 4.31Å; R8-L12 WeakPolarHBondContact O-CG 3.48Å; R8-L12 PolarHBondContact O-N 3.41Å; R8-D25 IonicContact CZ-OD2 3.8Å; R8-D25 IonicContact NH1-OD2 2.98Å; R8-D25 PolarHBondContact NH2-O 2.97Å; R8-D25 IonicContact NH2-OD1 3.76Å; R8-D25 IonicContact NH2-OD2 3.34Å; R8-D25 PolarHBondContact NH2-OD2 2.94Å; R8-Y29 HydrophobicContact CG-CD1 4.29Å; R8-Y29 HydrophobicContact CG-CE1 3.95Å; R8-Y29 VanDerWaalsContact CZ-CG 3.5Å; R8-Y29 VanDerWaalsContact NE-CD2 3.34Å; R8-Y29 VanDerWaalsContact NE-CG 3.27Å; R8-Y29 VanDerWaalsContact NH2-CB 3.32Å
9L97.4Very high93.2Very high6 Ų683.4 Ų83.43%0.03141%0.411CS..Hα-helixtrans-64-41.4177.4-69.1169.6000112.2K5 K6 G11 L12 M13 Y29 L101 I104 L105K5-L9 HydrophobicContact CG-CD1 3.92Å; K5-L9 WeakPolarHBondContact O-CG 3.26Å; K5-L9 PolarHBondContact O-N 3.06Å; K6-L9 PolarHBondContact O-N 3.39Å; L9-G11 VanDerWaalsContact C-N 3.31Å; L9-G11 PolarHBondContact O-N 2.85Å; L9-L12 HydrophobicContact CD2-CD1 4.44Å; L9-L12 PolarHBondContact O-N 3.16Å; L9-M13 WeakPolarHBondContact O-CG 3.42Å; L9-M13 PolarHBondContact O-N 2.96Å; L9-Y29 HydrophobicContact CD2-CE1 3.95Å; L9-Y29 HydrophobicContact CG-CE1 4.4Å; L9-L101 HydrophobicContact CD2-CD2 3.8Å; L9-I104 HydrophobicContact CD1-CG2 3.84Å; L9-I104 HydrophobicContact CD2-CG2 3.86Å; L9-L105 HydrophobicContact CB-CD2 3.97Å; L9-L105 HydrophobicContact CD1-CD2 3.92Å; L9-L105 HydrophobicContact CG-CD2 4.49Å
10A96.3Very high93.4Very high59 Ų5985.6 Ų85.649%0.48842%0.418SS..Hα-helixtrans-61.1-41.1174.300000111.9K6 L7 M13 K14K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.48Å; L7-A10 PolarHBondContact O-N 3.25Å; A10-M13 PolarHBondContact O-N 3.49Å; A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 2.89Å
11G98Very high93.4Very high37 Ų3786.3 Ų86.338%0.38143%0.43SS..Hα-helixtrans-61.4-41.5173.700000113.1L7 R8 L9 K14 K15L7-G11 PolarHBondContact O-N 3.33Å; R8-G11 PolarHBondContact O-N 3.06Å; L9-G11 VanDerWaalsContact C-N 3.31Å; L9-G11 PolarHBondContact O-N 2.85Å; G11-K14 PolarHBondContact O-N 3.49Å; G11-K15 WeakPolarHBondContact O-CG 3.43Å; G11-K15 PolarHBondContact O-N 2.88Å; G11-K15 VanDerWaalsContact O-N 3.08Å
12L98.6Very high95.3Very high2 Ų277.3 Ų77.31%0.0139%0.386CS..Hα-helixtrans-65.6-47.5176-69.1168.3000111.6R8 L9 K14 K15 M16 L22 D26 Y29 I30 L101R8-L12 HydrophobicContact CG-CD1 4.31Å; R8-L12 WeakPolarHBondContact O-CG 3.48Å; R8-L12 PolarHBondContact O-N 3.41Å; L9-L12 HydrophobicContact CD2-CD1 4.44Å; L9-L12 PolarHBondContact O-N 3.16Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.41Å; L12-K15 WeakPolarHBondContact O-CB 3.47Å; L12-K15 PolarHBondContact O-N 2.9Å; L12-M16 WeakPolarHBondContact O-CG 3.44Å; L12-M16 PolarHBondContact O-N 3.23Å; L12-L22 HydrophobicContact CD2-CD2 4.15Å; L12-D26 HydrophobicContact CD2-CB 3.52Å; L12-D26 WeakPolarHBondContact CD2-OD1 3.31Å; L12-Y29 HydrophobicContact CD1-CD1 3.66Å; L12-Y29 HydrophobicContact CD1-CE1 4.05Å; L12-I30 HydrophobicContact CD1-CD1 4.41Å; L12-I30 HydrophobicContact CD1-CG1 3.9Å; L12-I30 HydrophobicContact CD2-CD1 4.34Å; L12-L101 HydrophobicContact CB-CD1 4.13Å; L12-L101 HydrophobicContact CB-CD2 3.92Å; L12-L101 HydrophobicContact CD1-CD2 4.08Å
13M97.8Very high95.9Very high18 Ų1874.6 Ų74.69%0.08938%0.378CS..Hα-helixtrans-56.9-43.1174.9-70.4-57.2-63.500111.6L9 A10 K15 M16 F17 M98 L101 Y102 L105L9-M13 WeakPolarHBondContact O-CG 3.42Å; L9-M13 PolarHBondContact O-N 2.96Å; A10-M13 PolarHBondContact O-N 3.49Å; M13-K15 VanDerWaalsContact C-N 3.32Å; M13-K15 PolarHBondContact O-N 3.38Å; M13-M16 WeakPolarHBondContact O-CB 3.47Å; M13-M16 PolarHBondContact O-N 3.33Å; M13-M16 VanDerWaalsContact O-N 3.17Å; M13-F17 HydrophobicContact CB-CD2 4.33Å; M13-F17 HydrophobicContact CB-CE2 4.09Å; M13-F17 HydrophobicContact CE-CD2 4.46Å; M13-F17 HydrophobicContact CE-CE2 3.51Å; M13-F17 HydrophobicContact CE-CZ 3.55Å; M13-F17 WeakPolarHBondContact O-CD2 3.28Å; M13-F17 PolarHBondContact O-N 3.47Å; M13-M98 HydrophobicContact CE-CE 4.48Å; M13-M98 HydrophobicContact CE-SD 3.81Å; M13-M98 HydrophobicContact SD-SD 4.28Å; M13-L101 HydrophobicContact SD-CB 3.73Å; M13-L101 HydrophobicContact SD-CD1 3.96Å; M13-L101 HydrophobicContact SD-CG 4.31Å; M13-Y102 HydrophobicContact CE-CD1 4.39Å; M13-Y102 HydrophobicContact CE-CE1 3.74Å; M13-Y102 HydrophobicContact CE-CE2 4.14Å; M13-L105 HydrophobicContact CG-CD1 3.62Å; M13-L105 HydrophobicContact SD-CD1 3.72Å
14K97.7Very high96.4Very high142 Ų14271.1 Ų71.162%0.61736%0.361SS*.Hα-helixtrans-60.1-40.8175.5-175.2172.6-176.4170.90112.1A10 G11 L12 S18A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 2.89Å; G11-K14 PolarHBondContact O-N 3.49Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.41Å; K14-S18 WeakPolarHBondContact O-CB 3.32Å; K14-S18 PolarHBondContact O-N 3.35Å; K14-S18 PolarHBondContact O-OG 3.13Å
15K98.3Very high96.7Very high62 Ų6268.7 Ų68.727%0.2735%0.353SS..Hα-helixtrans-62.1-45.8174.2-71.5176.1-179.1175.30110.9G11 L12 M13 S18 F19 K20 L22 D26G11-K15 WeakPolarHBondContact O-CG 3.43Å; G11-K15 PolarHBondContact O-N 2.88Å; G11-K15 VanDerWaalsContact O-N 3.08Å; L12-K15 WeakPolarHBondContact O-CB 3.47Å; L12-K15 PolarHBondContact O-N 2.9Å; M13-K15 VanDerWaalsContact C-N 3.32Å; M13-K15 PolarHBondContact O-N 3.38Å; K15-S18 CarbonylContact O-C 3.3Å; K15-S18 PolarHBondContact O-N 2.97Å; K15-S18 PolarHBondContact O-OG 2.85Å; K15-F19 PolarHBondContact O-N 2.88Å; K15-K20 HydrophobicContact CB-CB 4.21Å; K15-K20 HydrophobicContact CG-CB 4.34Å; K15-K20 PolarHBondContact O-N 2.8Å; K15-L22 HydrophobicContact CB-CD2 4.05Å; K15-L22 HydrophobicContact CD-CD2 4.03Å; K15-D26 IonicContact NZ-OD1 2.79Å; K15-D26 PolarHBondContact NZ-OD1 2.73Å; K15-D26 IonicContact NZ-OD2 3.76Å; K15-D26 PolarHBondContact NZ-OD2 2.56Å
16M97.9Very high97Very high4 Ų465.3 Ų65.32%0.0234%0.339CS..Hα-helixtrans-58.1-53.1177.7-63.5-49.4-66.200111.8L12 M13 S18 F19 L22 Y61 E94 C97 M98 L101L12-M16 WeakPolarHBondContact O-CG 3.44Å; L12-M16 PolarHBondContact O-N 3.23Å; M13-M16 WeakPolarHBondContact O-CB 3.47Å; M13-M16 PolarHBondContact O-N 3.33Å; M13-M16 VanDerWaalsContact O-N 3.17Å; M16-S18 VanDerWaalsContact C-N 3.31Å; M16-S18 PolarHBondContact O-N 2.83Å; M16-F19 PolarHBondContact O-N 3.22Å; M16-L22 HydrophobicContact SD-CD1 3.78Å; M16-L22 HydrophobicContact SD-CD2 3.99Å; M16-L22 HydrophobicContact SD-CG 4.07Å; M16-Y61 HydrophobicContact CE-CE2 3.84Å; M16-Y61 PolarHBondContact O-OH 2.88Å; M16-E94 HydrophobicContact CE-CB 4.02Å; M16-E94 HydrophobicContact CE-CG 4.38Å; M16-E94 WeakPolarHBondContact CE-O 3.48Å; M16-C97 HydrophobicContact CE-CB 4.15Å; M16-C97 HydrophobicContact SD-CB 4.34Å; M16-M98 HydrophobicContact CB-CE 3.62Å; M16-M98 HydrophobicContact CB-SD 4.16Å; M16-M98 HydrophobicContact CE-CB 3.97Å; M16-M98 HydrophobicContact CG-CE 4.45Å; M16-M98 HydrophobicContact CG-SD 4.41Å; M16-L101 HydrophobicContact CG-CD1 3.54Å; M16-L101 HydrophobicContact SD-CD1 4.38Å
17F95.2Very high97.3Very high103 Ų10360.2 Ų60.245%0.45232%0.317SS..Hα-helixtrans-63.4-35-179.3-70.2-56.8000113.7M13 F19 W73 M98 Y102M13-F17 HydrophobicContact CB-CD2 4.33Å; M13-F17 HydrophobicContact CB-CE2 4.09Å; M13-F17 HydrophobicContact CE-CD2 4.46Å; M13-F17 HydrophobicContact CE-CE2 3.51Å; M13-F17 HydrophobicContact CE-CZ 3.55Å; M13-F17 WeakPolarHBondContact O-CD2 3.28Å; M13-F17 PolarHBondContact O-N 3.47Å; F17-F19 PolarHBondContact O-N 3.23Å; F17-W73 HydrophobicContact CD1-CH2 4.44Å; F17-W73 HydrophobicContact CE1-CE3 4.27Å; F17-W73 AromaticContact CE1-CH2 3.74Å; F17-W73 HydrophobicContact CE1-CH2 3.74Å; F17-W73 AromaticContact CE1-CZ3 3.54Å; F17-W73 HydrophobicContact CE1-CZ3 3.54Å; F17-W73 HydrophobicContact CZ-CZ3 4.19Å; F17-M98 HydrophobicContact CD1-CE 4.23Å; F17-M98 HydrophobicContact CE1-CE 4.05Å; F17-Y102 WeakPolarHBondContact CZ-OH 3.44Å
18S96.2Very high97.5Very high48 Ų4855.3 Ų55.334%0.33629%0.29SS..THydrogen-bonded Turntrans-86.98.5176.659.70000113.6K14 K15 M16 K20K14-S18 WeakPolarHBondContact O-CB 3.32Å; K14-S18 PolarHBondContact O-N 3.35Å; K14-S18 PolarHBondContact O-OG 3.13Å; K15-S18 CarbonylContact O-C 3.3Å; K15-S18 PolarHBondContact O-N 2.97Å; K15-S18 PolarHBondContact O-OG 2.85Å; M16-S18 VanDerWaalsContact C-N 3.31Å; M16-S18 PolarHBondContact O-N 2.83Å; S18-K20 PolarHBondContact O-N 2.83Å; S18-K20 VanDerWaalsContact O-N 3.11Å; S18-K20 WeakPolarHBondContact OG-CD 3.37Å; S18-K20 WeakPolarHBondContact OG-CG 3.41Å
19F96.6Very high97.6Very high82 Ų8253.1 Ų53.136%0.3628%0.282SS..THydrogen-bonded Turntrans48.238.2-177.2-164.4-116.1000112.9K15 M16 F17 Y61 F62 Y91 E94K15-F19 PolarHBondContact O-N 2.88Å; M16-F19 PolarHBondContact O-N 3.22Å; F17-F19 PolarHBondContact O-N 3.23Å; F19-Y61 AromaticContact CD2-CD1 3.9Å; F19-Y61 HydrophobicContact CD2-CD1 3.9Å; F19-Y61 AromaticContact CD2-CE1 3.72Å; F19-Y61 HydrophobicContact CD2-CE1 3.72Å; F19-Y61 AromaticContact CE2-CD1 3.95Å; F19-Y61 HydrophobicContact CE2-CD1 3.95Å; F19-Y61 HydrophobicContact CE2-CE1 4.24Å; F19-F62 HydrophobicContact CD1-CZ 4.11Å; F19-F62 HydrophobicContact CD2-CE1 4.15Å; F19-F62 AromaticContact CD2-CZ 3.89Å; F19-F62 HydrophobicContact CD2-CZ 3.89Å; F19-F62 HydrophobicContact CE1-CZ 4Å; F19-F62 HydrophobicContact CE2-CE1 4.42Å; F19-F62 HydrophobicContact CE2-CE2 4.4Å; F19-F62 AromaticContact CE2-CZ 3.77Å; F19-F62 HydrophobicContact CE2-CZ 3.77Å; F19-F62 HydrophobicContact CG-CE1 4.3Å; F19-F62 HydrophobicContact CG-CZ 4.06Å; F19-F62 HydrophobicContact CZ-CE2 4.33Å; F19-F62 AromaticContact CZ-CZ 3.83Å; F19-F62 HydrophobicContact CZ-CZ 3.83Å; F19-Y91 HydrophobicContact CE2-CD1 4.13Å; F19-Y91 HydrophobicContact CE2-CE1 4.35Å; F19-Y91 AromaticContact CZ-CD1 3.78Å; F19-Y91 HydrophobicContact CZ-CD1 3.78Å; F19-Y91 AromaticContact CZ-CE1 3.59Å; F19-Y91 HydrophobicContact CZ-CE1 3.59Å; F19-E94 HydrophobicContact CD2-CG 4.47Å; F19-E94 HydrophobicContact CE2-CG 3.97Å
20K96.2Very high97.6Very high126 Ų12652.9 Ų52.955%0.54828%0.281SS..PPolyproline II helixtrans-84138.7176.1-73.6-176.7-178-173.40109.8K15 S18 L22K15-K20 HydrophobicContact CB-CB 4.21Å; K15-K20 HydrophobicContact CG-CB 4.34Å; K15-K20 PolarHBondContact O-N 2.8Å; S18-K20 PolarHBondContact O-N 2.83Å; S18-K20 VanDerWaalsContact O-N 3.11Å; S18-K20 WeakPolarHBondContact OG-CD 3.37Å; S18-K20 WeakPolarHBondContact OG-CG 3.41Å; K20-L22 PolarHBondContact O-N 2.81Å
21P94Very high97.7Very high102 Ų10250.1 Ų50.166%0.66226%0.258SS*.PPolyproline II helixtrans-55.4132.4177.1-25.433.7000112.1
22L98.2Very high97.8Very high11 Ų1152.9 Ų52.96%0.05826%0.264CS..PPolyproline II helixtrans-75.8147.3167-62.5-179.4000109.5L12 K15 M16 K20 D26 I27 I30 C97 Y136L12-L22 HydrophobicContact CD2-CD2 4.15Å; K15-L22 HydrophobicContact CB-CD2 4.05Å; K15-L22 HydrophobicContact CD-CD2 4.03Å; M16-L22 HydrophobicContact SD-CD1 3.78Å; M16-L22 HydrophobicContact SD-CD2 3.99Å; M16-L22 HydrophobicContact SD-CG 4.07Å; K20-L22 PolarHBondContact O-N 2.81Å; L22-D26 HydrophobicContact CB-CB 4.02Å; L22-D26 HydrophobicContact CD2-CB 4.11Å; L22-I27 HydrophobicContact CB-CD1 4.3Å; L22-I27 HydrophobicContact CB-CG1 3.92Å; L22-I27 HydrophobicContact CD1-CG1 4.01Å; L22-I30 HydrophobicContact CD1-CD1 3.92Å; L22-C97 HydrophobicContact CD1-CB 3.84Å; L22-Y136 WeakPolarHBondContact O-CE1 3.21Å; L22-Y136 PolarHBondContact O-OH 3.5Å
23T98.4Very high97.7Very high72 Ų7255.2 Ų55.244%0.44228%0.276SS..PPolyproline II helixtrans-81.1166.2165.269.10000110.3D25 D26 I27T23-D25 VanDerWaalsContact C-N 3.25Å; T23-D25 PolarHBondContact O-N 3.13Å; T23-D25 PolarHBondContact OG1-N 2.9Å; T23-D26 PolarHBondContact N-OD2 2.96Å; T23-D26 WeakPolarHBondContact O-CB 3.41Å; T23-D26 PolarHBondContact O-N 2.89Å; T23-D26 VanDerWaalsContact OG1-CG 3.22Å; T23-D26 PolarHBondContact OG1-N 2.96Å; T23-D26 PolarHBondContact OG1-OD2 3.15Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.42Å
24E98.5Very high97.8Very high67 Ų6754.4 Ų54.431%0.31327%0.271SS..Hα-helixtrans-60.6-36.9171.4-66.4-162.8158.800112.1D26 I27 F28 Y136 S137 V140E24-D26 VanDerWaalsContact C-N 3.33Å; E24-D26 PolarHBondContact O-N 3.38Å; E24-I27 PolarHBondContact O-N 2.95Å; E24-F28 HydrophobicContact CB-CD2 4.46Å; E24-F28 HydrophobicContact CB-CE1 4.45Å; E24-F28 HydrophobicContact CB-CE2 3.93Å; E24-F28 HydrophobicContact CB-CZ 3.93Å; E24-F28 WeakPolarHBondContact O-CB 3.23Å; E24-F28 WeakPolarHBondContact O-CD1 3.29Å; E24-F28 WeakPolarHBondContact O-CD2 3.12Å; E24-F28 WeakPolarHBondContact O-CG 3.28Å; E24-F28 PolarHBondContact O-N 2.82Å; E24-Y136 HydrophobicContact CG-CD1 3.92Å; E24-S137 WeakPolarHBondContact OE1-CB 3.45Å; E24-S137 PolarHBondContact OE1-OG 3.23Å; E24-V140 HydrophobicContact CB-CG2 4.39Å; E24-V140 HydrophobicContact CG-CG2 3.88Å
25D98.5Very high97.8Very high96 Ų9648.7 Ų48.751%0.51325%0.247SC..Hα-helixtrans-64.7-37176-176.765.2000112.2R8 T23 Y29R8-D25 IonicContact CZ-OD2 3.8Å; R8-D25 IonicContact NH1-OD2 2.98Å; R8-D25 PolarHBondContact NH2-O 2.97Å; R8-D25 IonicContact NH2-OD1 3.76Å; R8-D25 IonicContact NH2-OD2 3.34Å; R8-D25 PolarHBondContact NH2-OD2 2.94Å; T23-D25 VanDerWaalsContact C-N 3.25Å; T23-D25 PolarHBondContact O-N 3.13Å; T23-D25 PolarHBondContact OG1-N 2.9Å; D25-Y29 VanDerWaalsContact O-CB 3.26Å; D25-Y29 WeakPolarHBondContact O-CB 3.5Å; D25-Y29 PolarHBondContact O-N 3.21Å
26D98.6Very high97.8Very high13 Ų1346.9 Ų46.97%0.0725%0.247CC..Hα-helixtrans-59.9-51171-66.9-41.7000110.1L12 K15 L22 T23 E24 F28 Y29 I30L12-D26 HydrophobicContact CD2-CB 3.52Å; L12-D26 WeakPolarHBondContact CD2-OD1 3.31Å; K15-D26 IonicContact NZ-OD1 2.79Å; K15-D26 PolarHBondContact NZ-OD1 2.73Å; K15-D26 IonicContact NZ-OD2 3.76Å; K15-D26 PolarHBondContact NZ-OD2 2.56Å; L22-D26 HydrophobicContact CB-CB 4.02Å; L22-D26 HydrophobicContact CD2-CB 4.11Å; T23-D26 PolarHBondContact N-OD2 2.96Å; T23-D26 WeakPolarHBondContact O-CB 3.41Å; T23-D26 PolarHBondContact O-N 2.89Å; T23-D26 VanDerWaalsContact OG1-CG 3.22Å; T23-D26 PolarHBondContact OG1-N 2.96Å; T23-D26 PolarHBondContact OG1-OD2 3.15Å; E24-D26 VanDerWaalsContact C-N 3.33Å; E24-D26 PolarHBondContact O-N 3.38Å; D26-F28 PolarHBondContact O-N 3.5Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.42Å; D26-I30 VanDerWaalsContact O-CG1 3.28Å; D26-I30 WeakPolarHBondContact O-CG1 3.41Å; D26-I30 PolarHBondContact O-N 2.78Å
27I98.9Very high97.8Very high0 Ų046.8 Ų46.80%025%0.247CC..Hα-helixtrans-62.2-46.5-178.1-66.4168000111L22 T23 E24 Y29 I30 I31 I93 Y136 V140 F144L22-I27 HydrophobicContact CB-CD1 4.3Å; L22-I27 HydrophobicContact CB-CG1 3.92Å; L22-I27 HydrophobicContact CD1-CG1 4.01Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.42Å; E24-I27 PolarHBondContact O-N 2.95Å; I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 2.86Å; I27-I30 PolarHBondContact O-N 2.83Å; I27-I31 HydrophobicContact CG2-CD1 3.69Å; I27-I31 HydrophobicContact CG2-CG1 4.33Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 3.22Å; I27-I93 HydrophobicContact CD1-CG2 4.07Å; I27-Y136 HydrophobicContact CD1-CD1 3.96Å; I27-Y136 HydrophobicContact CD1-CD2 4.12Å; I27-Y136 HydrophobicContact CD1-CE1 3.65Å; I27-Y136 HydrophobicContact CD1-CE2 3.81Å; I27-Y136 HydrophobicContact CD1-CG 4.18Å; I27-V140 HydrophobicContact CD1-CG1 4.39Å; I27-V140 HydrophobicContact CG2-CG1 4.07Å; I27-F144 HydrophobicContact CG2-CE2 3.65Å; I27-F144 HydrophobicContact CG2-CZ 3.63Å
28F98.8Very high97.9Very high28 Ų2842 Ų4212%0.12323%0.225CC..Hα-helixtrans-62.3-38178.5-63.8-16000111.9E24 D26 I31 N32 E139 V140 R143E24-F28 HydrophobicContact CB-CD2 4.46Å; E24-F28 HydrophobicContact CB-CE1 4.45Å; E24-F28 HydrophobicContact CB-CE2 3.93Å; E24-F28 HydrophobicContact CB-CZ 3.93Å; E24-F28 WeakPolarHBondContact O-CB 3.23Å; E24-F28 WeakPolarHBondContact O-CD1 3.29Å; E24-F28 WeakPolarHBondContact O-CD2 3.12Å; E24-F28 WeakPolarHBondContact O-CG 3.28Å; E24-F28 PolarHBondContact O-N 2.82Å; D26-F28 PolarHBondContact O-N 3.5Å; F28-I31 PolarHBondContact O-N 3.03Å; F28-N32 WeakPolarHBondContact O-CB 3.14Å; F28-N32 PolarHBondContact O-N 2.9Å; F28-N32 PolarHBondContact O-ND2 2.82Å; F28-E139 HydrophobicContact CE1-CG 4.22Å; F28-E139 HydrophobicContact CZ-CB 4.35Å; F28-E139 HydrophobicContact CZ-CG 3.72Å; F28-V140 HydrophobicContact CE1-CB 4.39Å; F28-V140 HydrophobicContact CE1-CG2 3.59Å; F28-V140 HydrophobicContact CZ-CG2 4.07Å; F28-R143 VanDerWaalsContact CD1-CD 3.43Å
29Y98.6Very high97.9Very high38 Ų3844.4 Ų44.415%0.14923%0.232CC..Hα-helixtrans-63.7-46.4173.8-178.5-93.8000111.8R8 L9 L12 D25 D26 I27 I31 N32 M33R8-Y29 HydrophobicContact CG-CD1 4.29Å; R8-Y29 HydrophobicContact CG-CE1 3.95Å; R8-Y29 VanDerWaalsContact CZ-CG 3.5Å; R8-Y29 VanDerWaalsContact NE-CD2 3.34Å; R8-Y29 VanDerWaalsContact NE-CG 3.27Å; R8-Y29 VanDerWaalsContact NH2-CB 3.32Å; L9-Y29 HydrophobicContact CD2-CE1 3.95Å; L9-Y29 HydrophobicContact CG-CE1 4.4Å; L12-Y29 HydrophobicContact CD1-CD1 3.66Å; L12-Y29 HydrophobicContact CD1-CE1 4.05Å; D25-Y29 VanDerWaalsContact O-CB 3.26Å; D25-Y29 WeakPolarHBondContact O-CB 3.5Å; D25-Y29 PolarHBondContact O-N 3.21Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.42Å; I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 2.86Å; Y29-I31 VanDerWaalsContact C-N 3.35Å; Y29-I31 PolarHBondContact O-N 2.92Å; Y29-N32 PolarHBondContact O-N 3.5Å; Y29-M33 HydrophobicContact CD1-CG 4.19Å; Y29-M33 HydrophobicContact CD2-CG 4.33Å; Y29-M33 HydrophobicContact CE1-CG 3.87Å; Y29-M33 HydrophobicContact CE2-CG 4.02Å; Y29-M33 HydrophobicContact CE2-SD 4.4Å; Y29-M33 HydrophobicContact CG-CG 4.42Å; Y29-M33 WeakPolarHBondContact O-CB 3.42Å; Y29-M33 WeakPolarHBondContact O-CG 3.3Å; Y29-M33 PolarHBondContact O-N 2.84Å
30I98.8Very high97.9Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-61.5-44.9177-58.6165.1000110L12 L22 D26 I27 G34 C97 M100 L101 I104L12-I30 HydrophobicContact CD1-CD1 4.41Å; L12-I30 HydrophobicContact CD1-CG1 3.9Å; L12-I30 HydrophobicContact CD2-CD1 4.34Å; L22-I30 HydrophobicContact CD1-CD1 3.92Å; D26-I30 VanDerWaalsContact O-CG1 3.28Å; D26-I30 WeakPolarHBondContact O-CG1 3.41Å; D26-I30 PolarHBondContact O-N 2.78Å; I27-I30 PolarHBondContact O-N 2.83Å; I30-G34 WeakPolarHBondContact O-CA 3.4Å; I30-G34 PolarHBondContact O-N 3.13Å; I30-C97 HydrophobicContact CD1-CB 4.01Å; I30-M100 HydrophobicContact CB-CE 4.32Å; I30-M100 HydrophobicContact CG2-CB 3.68Å; I30-M100 HydrophobicContact CG2-CE 3.63Å; I30-L101 HydrophobicContact CD1-CD1 3.91Å; I30-L101 HydrophobicContact CD1-CD2 4.23Å; I30-L101 HydrophobicContact CD1-CG 3.98Å; I30-L101 HydrophobicContact CG1-CD1 4.48Å; I30-L101 HydrophobicContact CG1-CD2 3.9Å; I30-L101 HydrophobicContact CG1-CG 4.05Å; I30-L101 HydrophobicContact CG2-CD2 4.36Å; I30-L101 HydrophobicContact CG2-CG 3.99Å; I30-I104 HydrophobicContact CG2-CD1 4.03Å; I30-I104 WeakPolarHBondContact O-CD1 3.38Å
31I98.8Very high98Very high2 Ų243.5 Ų43.51%0.0123%0.225CC..Hα-helixtrans-58.6-52.9178-73.1167.5000111.1I27 F28 Y29 M33 G34 I35 M100 R143 F144 A147I27-I31 HydrophobicContact CG2-CD1 3.69Å; I27-I31 HydrophobicContact CG2-CG1 4.33Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 3.22Å; F28-I31 PolarHBondContact O-N 3.03Å; Y29-I31 VanDerWaalsContact C-N 3.35Å; Y29-I31 PolarHBondContact O-N 2.92Å; I31-M33 VanDerWaalsContact C-N 3.34Å; I31-M33 PolarHBondContact O-N 3.22Å; I31-G34 PolarHBondContact O-N 3.4Å; I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.45Å; I31-I35 PolarHBondContact O-N 3.46Å; I31-M100 HydrophobicContact CB-CE 4.37Å; I31-M100 HydrophobicContact CG1-CE 3.71Å; I31-R143 HydrophobicContact CD1-CB 3.76Å; I31-R143 HydrophobicContact CG2-CB 4.28Å; I31-F144 HydrophobicContact CD1-CD1 3.77Å; I31-F144 HydrophobicContact CD1-CD2 4.02Å; I31-F144 HydrophobicContact CD1-CE1 3.83Å; I31-F144 HydrophobicContact CD1-CE2 4.09Å; I31-F144 HydrophobicContact CD1-CG 3.86Å; I31-F144 HydrophobicContact CD1-CZ 4Å; I31-F144 HydrophobicContact CG1-CD1 3.86Å; I31-F144 HydrophobicContact CG1-CE1 3.74Å; I31-F144 HydrophobicContact CG1-CG 4.46Å; I31-F144 HydrophobicContact CG1-CZ 4.26Å; I31-A147 HydrophobicContact CG2-CB 4.05Å
32N98.4Very high98.2Very high95 Ų9540 Ų4051%0.50821%0.208SC..Hα-helixtrans-63.5-41.7-176-69.7-15.1000111.9F28 Y29 G36F28-N32 WeakPolarHBondContact O-CB 3.14Å; F28-N32 PolarHBondContact O-N 2.9Å; F28-N32 PolarHBondContact O-ND2 2.82Å; Y29-N32 PolarHBondContact O-N 3.5Å; N32-G36 PolarHBondContact O-N 3.12Å
33M98.1Very high98.2Very high51 Ų5139.6 Ų39.625%0.25121%0.205SC..Hα-helixtrans-70.5-35.1176.9-66.7-60.7-61.800111.9K5 Y29 I31 A37 I104K5-M33 HydrophobicContact CD-CE 3.78Å; K5-M33 VanDerWaalsContact NZ-CE 3.28Å; Y29-M33 HydrophobicContact CD1-CG 4.19Å; Y29-M33 HydrophobicContact CD2-CG 4.33Å; Y29-M33 HydrophobicContact CE1-CG 3.87Å; Y29-M33 HydrophobicContact CE2-CG 4.02Å; Y29-M33 HydrophobicContact CE2-SD 4.4Å; Y29-M33 HydrophobicContact CG-CG 4.42Å; Y29-M33 WeakPolarHBondContact O-CB 3.42Å; Y29-M33 WeakPolarHBondContact O-CG 3.3Å; Y29-M33 PolarHBondContact O-N 2.84Å; I31-M33 VanDerWaalsContact C-N 3.34Å; I31-M33 PolarHBondContact O-N 3.22Å; M33-A37 WeakPolarHBondContact O-CB 3.45Å; M33-A37 PolarHBondContact O-N 3.41Å; M33-A37 VanDerWaalsContact O-N 3.1Å; M33-I104 HydrophobicContact CB-CD1 3.59Å; M33-I104 HydrophobicContact CB-CG1 3.93Å; M33-I104 HydrophobicContact CB-CG2 4.24Å; M33-I104 HydrophobicContact CE-CG2 4.49Å
34G98.5Very high98.2Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-66.4-46.6178.700000111.8I30 I31 G36 A37 V38I30-G34 WeakPolarHBondContact O-CA 3.4Å; I30-G34 PolarHBondContact O-N 3.13Å; I31-G34 PolarHBondContact O-N 3.4Å; G34-G36 PolarHBondContact O-N 2.96Å; G34-A37 WeakPolarHBondContact O-CA 3.44Å; G34-A37 WeakPolarHBondContact O-CB 3.43Å; G34-A37 PolarHBondContact O-N 2.86Å; G34-V38 WeakPolarHBondContact O-CG2 3.44Å; G34-V38 PolarHBondContact O-N 2.84Å
35I98.7Very high98.2Very high22 Ų2233.4 Ų33.411%0.11317%0.172CC..Hα-helixtrans-52.3-56173.6-72.1165.3000110I31 A37 V38 E39 V146 A147 H150I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.45Å; I31-I35 PolarHBondContact O-N 3.46Å; I35-A37 PolarHBondContact O-N 2.75Å; I35-A37 VanDerWaalsContact O-N 3.08Å; I35-V38 VanDerWaalsContact O-CG2 3.26Å; I35-V38 WeakPolarHBondContact O-CG2 3.37Å; I35-V38 PolarHBondContact O-N 3.25Å; I35-E39 HydrophobicContact CG2-CG 4.21Å; I35-E39 VanDerWaalsContact O-CG 3.3Å; I35-E39 WeakPolarHBondContact O-CG 3.42Å; I35-E39 PolarHBondContact O-N 2.72Å; I35-V146 HydrophobicContact CD1-CG1 4.08Å; I35-A147 HydrophobicContact CD1-CB 4.27Å; I35-A147 HydrophobicContact CG1-CB 4.03Å; I35-H150 HydrophobicContact CG2-CB 4.49Å
36G97.7Very high98.2Very high25 Ų2533.9 Ų33.926%0.25817%0.171SC..Hα-helixtrans-62.9-20.7179.500000113.6N32 G34 R40N32-G36 PolarHBondContact O-N 3.12Å; G34-G36 PolarHBondContact O-N 2.96Å; G36-R40 PolarHBondContact O-NH1 3.05Å
37A97.8Very high98.2Very high2 Ų233.8 Ų33.82%0.01717%0.171CC..Hα-helixtrans-81.2-40.1175.800000113.5M33 G34 I35 K103 I104M33-A37 WeakPolarHBondContact O-CB 3.45Å; M33-A37 PolarHBondContact O-N 3.41Å; M33-A37 VanDerWaalsContact O-N 3.1Å; G34-A37 WeakPolarHBondContact O-CA 3.44Å; G34-A37 WeakPolarHBondContact O-CB 3.43Å; G34-A37 PolarHBondContact O-N 2.86Å; I35-A37 PolarHBondContact O-N 2.75Å; I35-A37 VanDerWaalsContact O-N 3.08Å; A37-K103 HydrophobicContact CB-CG 3.97Å; A37-K103 WeakPolarHBondContact O-CE 3.37Å; A37-I104 HydrophobicContact CB-CG1 4.32Å
38V98Very high98.2Very high1 Ų139 Ų391%0.00620%0.199CC..Hα-helixtrans-78.6-29.9178.6-62.10000112.9G34 I35 R40 D41 K103 I112 H150 F151G34-V38 WeakPolarHBondContact O-CG2 3.44Å; G34-V38 PolarHBondContact O-N 2.84Å; I35-V38 VanDerWaalsContact O-CG2 3.26Å; I35-V38 WeakPolarHBondContact O-CG2 3.37Å; I35-V38 PolarHBondContact O-N 3.25Å; V38-R40 PolarHBondContact O-N 2.82Å; V38-R40 VanDerWaalsContact O-N 3.12Å; V38-D41 WeakPolarHBondContact O-CB 3.16Å; V38-D41 PolarHBondContact O-N 2.96Å; V38-K103 HydrophobicContact CG1-CD 4.48Å; V38-K103 HydrophobicContact CG1-CG 3.89Å; V38-I112 HydrophobicContact CG1-CD1 3.73Å; V38-I112 HydrophobicContact CG1-CG1 3.86Å; V38-H150 HydrophobicContact CG2-CB 4.05Å; V38-F151 HydrophobicContact CG1-CD1 4.3Å; V38-F151 HydrophobicContact CG1-CE1 4.29Å; V38-F151 HydrophobicContact CG2-CD1 4.12Å; V38-F151 HydrophobicContact CG2-CE1 4.45Å
39E96.8Very high98.2Very high99 Ų9938.3 Ų38.346%0.46320%0.198SC..G310 helixtrans-58.7-27.7176.9-78.3177.2149.800112.9I35 D41 G42 H150I35-E39 HydrophobicContact CG2-CG 4.21Å; I35-E39 VanDerWaalsContact O-CG 3.3Å; I35-E39 WeakPolarHBondContact O-CG 3.42Å; I35-E39 PolarHBondContact O-N 2.72Å; E39-D41 PolarHBondContact O-N 3.26Å; E39-G42 PolarHBondContact O-N 2.87Å; E39-H150 HydrophobicContact CG-CB 4.47Å; E39-H150 IonicContact OE1-CE1 3.57Å; E39-H150 PolarHBondContact OE1-CE1 3.03Å; E39-H150 IonicContact OE1-ND1 3.43Å; E39-H150 PolarHBondContact OE1-ND1 2.87Å
40R96.3Very high98.2Very high159 Ų15939.2 Ų39.260%0.621%0.208SC*.G310 helixtrans-70.7-18.9176.8-67.1-169-63.6-90.12.2113.6G36 V38G36-R40 PolarHBondContact O-NH1 3.05Å; V38-R40 PolarHBondContact O-N 2.82Å; V38-R40 VanDerWaalsContact O-N 3.12Å
41D97.7Very high98.2Very high30 Ų3039.3 Ų39.316%0.1621%0.209CC..G310 helixtrans-84.6-19.2180-55.4-22.8000112V38 E39 I45 K103 P152V38-D41 WeakPolarHBondContact O-CB 3.16Å; V38-D41 PolarHBondContact O-N 2.96Å; E39-D41 PolarHBondContact O-N 3.26Å; D41-I45 HydrophobicContact CB-CD1 4.21Å; D41-I45 HydrophobicContact CB-CG1 3.94Å; D41-K103 IonicContact OD1-NZ 3.15Å; D41-K103 PolarHBondContact OD1-NZ 2.9Å; D41-K103 WeakPolarHBondContact OD2-CE 3.46Å; D41-K103 IonicContact OD2-NZ 3.6Å; D41-K103 PolarHBondContact OD2-NZ 2.76Å; D41-P152 HydrophobicContact CB-CG 3.93Å
42G97.9Very high98.2Very high30 Ų3039.7 Ų39.731%0.30921%0.211SC..  trans66.1-167.9-17000000112.6E39 P152E39-G42 PolarHBondContact O-N 2.87Å; G42-P152 VanDerWaalsContact O-CB 3.29Å; G42-P152 WeakPolarHBondContact O-CB 3.48Å; G42-P152 VanDerWaalsContact O-CG 3.25Å; G42-P152 WeakPolarHBondContact O-CG 3.09Å
43A98.6Very high98.2Very high1 Ų135.2 Ų35.21%0.00819%0.187CC..SBendtrans-79.1-23.3-178.300000114.1I153 A154 I178 M181 L183A43-I153 PolarHBondContact O-N 3.03Å; A43-A154 PolarHBondContact O-N 3.3Å; A43-I178 HydrophobicContact CB-CG2 4.43Å; A43-I178 WeakPolarHBondContact CB-O 3.38Å; A43-M181 HydrophobicContact CB-CB 3.7Å; A43-L183 HydrophobicContact CB-CD1 4.12Å; A43-L183 HydrophobicContact CB-CG 4.16Å
44L98.8Very high98.2Very high7 Ų732.8 Ų32.84%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-116.7112.6174178.766.6000109.2E46 A154 L156 F175 I178 R179L44-E46 HydrophobicContact CD2-CG 4.24Å; L44-E46 HydrophobicContact CG-CG 4.19Å; L44-A154 WeakPolarHBondContact CA-O 3.43Å; L44-A154 HydrophobicContact CD1-CB 3.88Å; L44-L156 HydrophobicContact CD1-CB 4.3Å; L44-F175 HydrophobicContact CD2-CB 3.94Å; L44-I178 HydrophobicContact CB-CB 4.21Å; L44-I178 HydrophobicContact CB-CG2 3.85Å; L44-I178 HydrophobicContact CD1-CG2 4.39Å; L44-R179 HydrophobicContact CD2-CB 4.34Å
45I98.7Very high98.3Very high3 Ų332.8 Ų32.82%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-78.7122.2174.2-47-167.9000109.2D41 L47 L80 F111 L113 P152 A154 G155 L156D41-I45 HydrophobicContact CB-CD1 4.21Å; D41-I45 HydrophobicContact CB-CG1 3.94Å; I45-L47 HydrophobicContact CG2-CD2 4.06Å; I45-L80 HydrophobicContact CD1-CD1 4.47Å; I45-F111 HydrophobicContact CD1-CB 3.94Å; I45-F111 HydrophobicContact CD1-CD1 4.3Å; I45-F111 HydrophobicContact CG2-CB 4.39Å; I45-F111 HydrophobicContact CG2-CD1 3.4Å; I45-F111 VanDerWaalsContact CG2-CD1 3.4Å; I45-F111 HydrophobicContact CG2-CE1 3.88Å; I45-F111 HydrophobicContact CG2-CG 4.09Å; I45-L113 HydrophobicContact CD1-CD2 3.56Å; I45-L113 HydrophobicContact CG1-CD2 3.78Å; I45-P152 HydrophobicContact CD1-CB 3.85Å; I45-P152 HydrophobicContact CD1-CG 3.8Å; I45-P152 HydrophobicContact CG1-CB 3.55Å; I45-P152 HydrophobicContact CG1-CG 3.82Å; I45-A154 PolarHBondContact N-O 3.34Å; I45-G155 CarbonylContact O-C 3.17Å; I45-G155 WeakPolarHBondContact O-CA 3.32Å; I45-L156 PolarHBondContact O-N 3.33Å
46E98.5Very high98.3Very high105 Ų10531.8 Ų31.849%0.49117%0.17SC..EExtended strand (participates in β ladder)trans-108.8121.8172.5-60.4-175.688.900109.1L44 L156 R179L44-E46 HydrophobicContact CD2-CG 4.24Å; L44-E46 HydrophobicContact CG-CG 4.19Å; E46-L156 HydrophobicContact CG-CB 4.47Å; E46-R179 IonicContact OE1-CZ 3.57Å; E46-R179 IonicContact OE1-NH2 3.76Å; E46-R179 PolarHBondContact OE1-NH2 2.73Å; E46-R179 IonicContact OE2-CZ 2.67Å; E46-R179 IonicContact OE2-NE 3.56Å; E46-R179 PolarHBondContact OE2-NE 3.03Å; E46-R179 IonicContact OE2-NH2 3.45Å; E46-R179 PolarHBondContact OE2-NH2 2.91Å
47L98.4Very high98.3Very high12 Ų1230.7 Ų30.76%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-147.1151.7-173.668.8165.4000111I45 V51 F111 L156 V157 S158I45-L47 HydrophobicContact CG2-CD2 4.06Å; L47-V51 HydrophobicContact CD1-CB 4.48Å; L47-V51 HydrophobicContact CD1-CG2 4.03Å; L47-F111 HydrophobicContact CB-CE1 4.35Å; L47-F111 HydrophobicContact CB-CE2 4.1Å; L47-F111 HydrophobicContact CB-CZ 3.9Å; L47-F111 HydrophobicContact CD1-CD2 3.38Å; L47-F111 HydrophobicContact CD1-CE2 3.45Å; L47-F111 VanDerWaalsContact CD1-CE2 3.45Å; L47-F111 HydrophobicContact CD1-CG 3.98Å; L47-F111 HydrophobicContact CD1-CZ 4.09Å; L47-F111 HydrophobicContact CG-CE2 4.42Å; L47-L156 PolarHBondContact N-O 2.95Å; L47-V157 HydrophobicContact CD1-CG2 4.42Å; L47-V157 HydrophobicContact CD2-CG2 3.79Å; L47-V157 HydrophobicContact CG-CG2 4.1Å; L47-V157 CarbonylContact O-C 3.15Å; L47-V157 VanDerWaalsContact O-CA 3.29Å; L47-V157 WeakPolarHBondContact O-CA 3.2Å; L47-S158 PolarHBondContact O-N 3.29Å
48D98.4Very high98.3Very high110 Ų11030.7 Ų30.759%0.58816%0.158SC*.PPolyproline II helixtrans-88.5156.5173.2-67.8-47.9000112.8R78 S158D48-R78 PolarHBondContact O-NH1 3.37Å; D48-S158 WeakPolarHBondContact CA-OG 3.33Å
49A98.4Very high98.3Very high13 Ų1330.7 Ų30.711%0.10716%0.158CC..SBendtrans-69.4156.3162.100000111V157 S158 V277 D278 L281A49-V157 HydrophobicContact CB-CG1 4.26Å; A49-S158 PolarHBondContact N-OG 3.42Å; A49-V277 HydrophobicContact CB-CG1 4.09Å; A49-D278 WeakPolarHBondContact CB-O 3.39Å; A49-L281 HydrophobicContact CB-CD2 3.8Å
50P98.5Very high98.4Very high56 Ų5627.3 Ų27.336%0.36414%0.142SC..SBendcis-79.7147.97.233.7-34000112.4R78 V277 Q279P50-R78 PolarHBondContact O-NH1 3.36Å; P50-V277 CarbonylContact C-O 3.56Å; P50-V277 WeakPolarHBondContact CA-O 3.38Å; P50-V277 WeakPolarHBondContact CB-O 3.46Å; P50-Q279 HydrophobicContact CG-CG 4.36Å
51V98.8Very high98.4Very high3 Ų319.8 Ų19.82%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-154.214617766.20000110.7L47 I53 L80 V157 V277L47-V51 HydrophobicContact CD1-CB 4.48Å; L47-V51 HydrophobicContact CD1-CG2 4.03Å; V51-I53 HydrophobicContact CG1-CG1 4.19Å; V51-L80 HydrophobicContact CG2-CB 3.91Å; V51-V157 HydrophobicContact CG1-CB 4.46Å; V51-V157 HydrophobicContact CG1-CG1 3.61Å; V51-V157 HydrophobicContact CG1-CG2 3.98Å; V51-V277 HydrophobicContact CG1-CB 4.3Å; V51-V277 PolarHBondContact N-O 3.41Å; V51-V277 PolarHBondContact O-N 3.34Å
52V98.9Very high98.4Very high10 Ų1022.6 Ų22.66%0.06113%0.125CC..EExtended strand (participates in β ladder)trans-101.8122.4168.7177.30000108.9I71 V77 R78 Y79 L80 V274 L275 A276V52-I71 HydrophobicContact CG1-CD1 4.39Å; V52-I71 HydrophobicContact CG1-CG2 4.23Å; V52-I71 HydrophobicContact CG2-CG2 3.93Å; V52-V77 HydrophobicContact CB-CG1 4.12Å; V52-V77 HydrophobicContact CG2-CG1 3.49Å; V52-V77 VanDerWaalsContact CG2-CG1 3.49Å; V52-R78 PolarHBondContact N-O 3.35Å; V52-Y79 HydrophobicContact CB-CD1 3.88Å; V52-Y79 HydrophobicContact CB-CE1 3.84Å; V52-Y79 HydrophobicContact CG1-CD1 4.01Å; V52-Y79 HydrophobicContact CG1-CE1 3.75Å; V52-Y79 CarbonylContact O-C 3.54Å; V52-Y79 VanDerWaalsContact O-CA 3.3Å; V52-Y79 WeakPolarHBondContact O-CA 3.47Å; V52-L80 PolarHBondContact O-N 3.16Å; V52-V274 HydrophobicContact CG1-CB 3.82Å; V52-V274 HydrophobicContact CG1-CG1 4.36Å; V52-V274 HydrophobicContact CG1-CG2 3.87Å; V52-L275 WeakPolarHBondContact CA-O 3.23Å; V52-A276 HydrophobicContact CG2-CB 4.18Å
53I98.9Very high98.4Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-99.4123.9-179.1-54.1167.2000109.1V51 L80 L82 V157 V237 V274 L275 V277V51-I53 HydrophobicContact CG1-CG1 4.19Å; I53-L80 CarbonylContact C-O 3.53Å; I53-L80 VanDerWaalsContact CA-O 3.28Å; I53-L80 WeakPolarHBondContact CA-O 3.16Å; I53-L80 HydrophobicContact CG1-CB 4.27Å; I53-L80 HydrophobicContact CG1-CD2 4.33Å; I53-L82 HydrophobicContact CG2-CD1 3.69Å; I53-L82 HydrophobicContact CG2-CD2 3.73Å; I53-L82 HydrophobicContact CG2-CG 3.67Å; I53-V157 HydrophobicContact CD1-CG2 4.31Å; I53-V237 HydrophobicContact CB-CG1 4.36Å; I53-V237 HydrophobicContact CD1-CB 4.38Å; I53-V237 HydrophobicContact CD1-CG1 4.13Å; I53-V237 HydrophobicContact CD1-CG2 4.19Å; I53-V237 HydrophobicContact CG2-CG1 3.79Å; I53-V274 WeakPolarHBondContact O-CA 3.4Å; I53-L275 HydrophobicContact CB-CB 4.33Å; I53-L275 HydrophobicContact CD1-CD2 4.18Å; I53-L275 PolarHBondContact N-O 2.91Å; I53-L275 PolarHBondContact O-N 3.49Å; I53-V277 HydrophobicContact CD1-CG2 4.04Å
54C98.9Very high98.3Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-114.2136.6-177.3-610000110.4L80 F81 L82 V274C54-L80 PolarHBondContact N-O 3.06Å; C54-F81 HydrophobicContact CB-CD1 3.52Å; C54-F81 HydrophobicContact CB-CD2 4.39Å; C54-F81 HydrophobicContact CB-CE1 3.53Å; C54-F81 HydrophobicContact CB-CE2 4.38Å; C54-F81 HydrophobicContact CB-CG 3.98Å; C54-F81 HydrophobicContact CB-CZ 3.97Å; C54-F81 WeakPolarHBondContact O-CA 3.06Å; C54-L82 WeakPolarHBondContact O-CB 3.18Å; C54-L82 WeakPolarHBondContact O-CG 3.49Å; C54-L82 PolarHBondContact O-N 3.13Å; C54-V274 HydrophobicContact CB-CG1 4.49Å
55G98.7Very high98.3Very high0 Ų023.3 Ų23.30%012%0.121CC..  trans-86.1-147.8171.600000112.3S260G55-S260 PolarHBondContact N-OG 3.4Å
56D98.8Very high98.2Very high1 Ų126.1 Ų26.11%0.00513%0.132CC..BIsolated β-bridgetrans-60.2146.6-174-48.2-136.2000112.9H58 D84 H165 A239 H240 F259 S260 A261D56-H58 IonicContact OD1-NE2 2.79Å; D56-D84 HydrophobicContact CB-CB 4.13Å; D56-H165 IonicContact OD1-CE1 2.77Å; D56-A239 VanDerWaalsContact OD2-CB 3.26Å; D56-A239 WeakPolarHBondContact OD2-CB 3.3Å; D56-H240 WeakPolarHBondContact OD1-CA 3.39Å; D56-H240 PolarHBondContact OD1-N 3.36Å; D56-H240 PolarHBondContact OD2-N 2.63Å; D56-F259 HydrophobicContact CB-CD2 3.77Å; D56-F259 HydrophobicContact CB-CE2 3.4Å; D56-F259 HydrophobicContact CB-CZ 3.82Å; D56-F259 VanDerWaalsContact CG-CD2 3.47Å; D56-F259 WeakPolarHBondContact OD1-CE2 3.32Å; D56-F259 WeakPolarHBondContact OD2-CD2 3.44Å; D56-S260 CarbonylContact O-C 3.54Å; D56-S260 WeakPolarHBondContact O-CA 3.33Å; D56-S260 WeakPolarHBondContact O-CB 3.49Å; D56-S260 PolarHBondContact O-N 3.19Å; D56-A261 PolarHBondContact O-N 2.88Å
57I98.7Very high98.2Very high2 Ų221.3 Ų21.31%0.0111%0.109CC..  trans-127.3-35.8178.3-57.8-67.2000112.4G59 Q60 L64 F81 D84 V95I57-G59 PolarHBondContact O-N 3.08Å; I57-Q60 WeakPolarHBondContact O-CB 3.34Å; I57-Q60 PolarHBondContact O-N 2.81Å; I57-Q60 VanDerWaalsContact O-N 3.1Å; I57-L64 HydrophobicContact CD1-CD1 4.15Å; I57-L64 HydrophobicContact CG1-CD1 4.49Å; I57-L64 HydrophobicContact CG2-CB 4.16Å; I57-F81 HydrophobicContact CD1-CE1 4.1Å; I57-F81 HydrophobicContact CG1-CD1 4.24Å; I57-F81 HydrophobicContact CG1-CE1 4.05Å; I57-D84 PolarHBondContact N-O 3.31Å; I57-V95 HydrophobicContact CB-CG1 4.23Å; I57-V95 HydrophobicContact CG2-CG1 3.69Å; I57-V95 HydrophobicContact CG2-CG2 3.9Å
58H98.3Very high98.2Very high3 Ų320.7 Ų20.71%0.01411%0.106CC..THydrogen-bonded Turntrans4756.1170.8-78.5-57000115.4D56 Q60 D84 V86 D87 R88 G89 H117 Y264D56-H58 IonicContact OD1-NE2 2.79Å; H58-Q60 PolarHBondContact O-N 3.36Å; H58-Q60 VanDerWaalsContact O-N 3.08Å; H58-D84 IonicContact CE1-OD2 2.68Å; H58-D84 PolarHBondContact CE1-OD2 2.77Å; H58-D84 PolarHBondContact N-O 3.49Å; H58-D84 IonicContact NE2-OD2 2.98Å; H58-V86 PolarHBondContact ND1-O 3.41Å; H58-D87 CarbonylContact C-O 3.59Å; H58-D87 WeakPolarHBondContact CA-O 3.42Å; H58-D87 WeakPolarHBondContact CB-O 3.42Å; H58-R88 HydrophobicContact CB-CB 4.18Å; H58-R88 HydrophobicContact CB-CG 4.49Å; H58-G89 WeakPolarHBondContact O-CA 3.08Å; H58-G89 PolarHBondContact O-N 3.39Å; H58-H117 AromaticContact CE1-CD2 3.6Å; H58-H117 AromaticContact CE1-CE1 3.96Å; H58-H117 AromaticContact CE1-CG 3.72Å; H58-H117 AromaticContact CE1-ND1 3.94Å; H58-H117 AromaticContact CE1-NE2 3.78Å; H58-Y264 HydrophobicContact CB-CE2 3.78Å; H58-Y264 AromaticContact CD2-CE2 3.22Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.36Å; H58-Y264 AromaticContact CD2-CZ 3.58Å; H58-Y264 PolarHBondContact CD2-OH 2.82Å; H58-Y264 VanDerWaalsContact CD2-OH 3.26Å; H58-Y264 AromaticContact CG-CE2 3.71Å; H58-Y264 AromaticContact NE2-CE2 3.99Å; H58-Y264 AromaticContact NE2-CZ 3.86Å; H58-Y264 PolarHBondContact NE2-OH 3.39Å; H58-Y264 VanDerWaalsContact NE2-OH 3.08Å
59G98Very high98.1Very high0 Ų020.9 Ų20.90%011%0.107CC..THydrogen-bonded Turntrans66.412.1175.600000115.5I57 Y61 Y85 Y91I57-G59 PolarHBondContact O-N 3.08Å; G59-Y61 VanDerWaalsContact C-N 3.28Å; G59-Y61 PolarHBondContact O-N 2.86Å; G59-Y61 VanDerWaalsContact O-N 3.09Å; G59-Y85 PolarHBondContact N-O 3.16Å; G59-Y91 WeakPolarHBondContact O-CB 3.24Å; G59-Y91 PolarHBondContact O-N 3.47Å; G59-Y91 VanDerWaalsContact O-N 3.13Å
60Q97.6Very high98Very high28 Ų2827 Ų2713%0.13113%0.128CC..  trans-8466.9174-65.2-174.2-121.700111.5I57 H58 F62 D63 L64 P262I57-Q60 WeakPolarHBondContact O-CB 3.34Å; I57-Q60 PolarHBondContact O-N 2.81Å; I57-Q60 VanDerWaalsContact O-N 3.1Å; H58-Q60 PolarHBondContact O-N 3.36Å; H58-Q60 VanDerWaalsContact O-N 3.08Å; Q60-F62 PolarHBondContact O-N 3.03Å; Q60-D63 HydrophobicContact CB-CB 4.05Å; Q60-D63 PolarHBondContact NE2-OD2 2.89Å; Q60-D63 PolarHBondContact O-N 3.11Å; Q60-D63 VanDerWaalsContact O-N 3.14Å; Q60-L64 PolarHBondContact O-N 2.81Å; Q60-P262 PolarHBondContact NE2-O 3.08Å
61Y97.9Very high98Very high1 Ų126.4 Ų26.40%0.00412%0.121CC..Hα-helixtrans-56-44.4-173.4179.4-113.3000114.3M16 F19 G59 D63 L64 L65 E94 V95 M98M16-Y61 HydrophobicContact CE-CE2 3.84Å; M16-Y61 PolarHBondContact O-OH 2.88Å; F19-Y61 AromaticContact CD2-CD1 3.9Å; F19-Y61 HydrophobicContact CD2-CD1 3.9Å; F19-Y61 AromaticContact CD2-CE1 3.72Å; F19-Y61 HydrophobicContact CD2-CE1 3.72Å; F19-Y61 AromaticContact CE2-CD1 3.95Å; F19-Y61 HydrophobicContact CE2-CD1 3.95Å; F19-Y61 HydrophobicContact CE2-CE1 4.24Å; G59-Y61 VanDerWaalsContact C-N 3.28Å; G59-Y61 PolarHBondContact O-N 2.86Å; G59-Y61 VanDerWaalsContact O-N 3.09Å; Y61-D63 VanDerWaalsContact C-N 3.33Å; Y61-D63 PolarHBondContact O-N 2.92Å; Y61-L64 WeakPolarHBondContact O-CB 3.32Å; Y61-L64 PolarHBondContact O-N 2.89Å; Y61-L65 HydrophobicContact CD1-CD1 4.36Å; Y61-L65 HydrophobicContact CE1-CD1 3.73Å; Y61-L65 HydrophobicContact CE1-CG 4.26Å; Y61-L65 HydrophobicContact CE2-CD2 4.11Å; Y61-L65 HydrophobicContact CE2-CG 4.4Å; Y61-L65 WeakPolarHBondContact O-CG 3.5Å; Y61-L65 PolarHBondContact O-N 2.76Å; Y61-L65 VanDerWaalsContact O-N 3.1Å; Y61-E94 HydrophobicContact CD1-CB 4.13Å; Y61-E94 HydrophobicContact CD2-CB 3.54Å; Y61-E94 HydrophobicContact CE1-CB 4.46Å; Y61-E94 HydrophobicContact CE2-CB 3.93Å; Y61-E94 HydrophobicContact CG-CB 3.64Å; Y61-E94 HydrophobicContact CG-CG 4.49Å; Y61-V95 HydrophobicContact CD2-CG2 4.36Å; Y61-M98 HydrophobicContact CE2-CB 4Å; Y61-M98 HydrophobicContact CE2-CE 4.13Å; Y61-M98 HydrophobicContact CE2-CG 4.33Å; Y61-M98 WeakPolarHBondContact OH-CE 3.26Å
62F96.8Very high97.9Very high90 Ų9027.2 Ų27.240%0.39513%0.13SC..Hα-helixtrans-69.7-32.2-179.5-61-67.8000112.5F19 Q60 L64 L65 R66 Y91F19-F62 HydrophobicContact CD1-CZ 4.11Å; F19-F62 HydrophobicContact CD2-CE1 4.15Å; F19-F62 AromaticContact CD2-CZ 3.89Å; F19-F62 HydrophobicContact CD2-CZ 3.89Å; F19-F62 HydrophobicContact CE1-CZ 4Å; F19-F62 HydrophobicContact CE2-CE1 4.42Å; F19-F62 HydrophobicContact CE2-CE2 4.4Å; F19-F62 AromaticContact CE2-CZ 3.77Å; F19-F62 HydrophobicContact CE2-CZ 3.77Å; F19-F62 HydrophobicContact CG-CE1 4.3Å; F19-F62 HydrophobicContact CG-CZ 4.06Å; F19-F62 HydrophobicContact CZ-CE2 4.33Å; F19-F62 AromaticContact CZ-CZ 3.83Å; F19-F62 HydrophobicContact CZ-CZ 3.83Å; Q60-F62 PolarHBondContact O-N 3.03Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L65 PolarHBondContact O-N 2.95Å; F62-R66 VanDerWaalsContact O-CG 3.29Å; F62-R66 WeakPolarHBondContact O-CG 3.28Å; F62-R66 PolarHBondContact O-N 2.98Å; F62-Y91 HydrophobicContact CD2-CD2 4.28Å; F62-Y91 AromaticContact CD2-CE2 3.95Å; F62-Y91 HydrophobicContact CD2-CE2 3.95Å; F62-Y91 HydrophobicContact CE2-CD2 4.12Å; F62-Y91 AromaticContact CE2-CE2 3.6Å; F62-Y91 HydrophobicContact CE2-CE2 3.6Å; F62-Y91 AromaticContact CE2-CZ 3.87Å
63D96.9Very high97.9Very high28 Ų2829.9 Ų29.915%0.1514%0.14CC..Hα-helixtrans-70.3-33.5173.4-65-52.9000111.8Q60 Y61 R66 L67 P262Q60-D63 HydrophobicContact CB-CB 4.05Å; Q60-D63 PolarHBondContact NE2-OD2 2.89Å; Q60-D63 PolarHBondContact O-N 3.11Å; Q60-D63 VanDerWaalsContact O-N 3.14Å; Y61-D63 VanDerWaalsContact C-N 3.33Å; Y61-D63 PolarHBondContact O-N 2.92Å; D63-R66 PolarHBondContact O-N 3.4Å; D63-R66 IonicContact OD1-CZ 2.76Å; D63-R66 IonicContact OD1-NH1 2.81Å; D63-R66 PolarHBondContact OD1-NH1 2.79Å; D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.32Å; D63-L67 PolarHBondContact O-N 2.87Å; D63-P262 HydrophobicContact CB-CG 3.92Å
64L97.9Very high97.8Very high0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-60.4-44.6169.7177.465.2000111.7I57 Q60 Y61 F62 L67 F68 F81 V95 M98 V99I57-L64 HydrophobicContact CD1-CD1 4.15Å; I57-L64 HydrophobicContact CG1-CD1 4.49Å; I57-L64 HydrophobicContact CG2-CB 4.16Å; Q60-L64 PolarHBondContact O-N 2.81Å; Y61-L64 WeakPolarHBondContact O-CB 3.32Å; Y61-L64 PolarHBondContact O-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.35Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.96Å; L64-F68 HydrophobicContact CD1-CD2 4.46Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 3.71Å; L64-F68 HydrophobicContact CD1-CZ 3.55Å; L64-F68 HydrophobicContact CD2-CE2 4.2Å; L64-F68 HydrophobicContact CG-CD2 4.29Å; L64-F68 HydrophobicContact CG-CE2 3.66Å; L64-F68 HydrophobicContact CG-CZ 4.04Å; L64-F68 WeakPolarHBondContact O-CD2 3.35Å; L64-F68 PolarHBondContact O-N 3.12Å; L64-F68 VanDerWaalsContact O-N 3.12Å; L64-F81 HydrophobicContact CD1-CE1 3.76Å; L64-F81 HydrophobicContact CD1-CZ 3.77Å; L64-V95 HydrophobicContact CD2-CG1 4.24Å; L64-M98 HydrophobicContact CD2-CB 4.42Å; L64-M98 HydrophobicContact CD2-CG 4.34Å; L64-V99 HydrophobicContact CD2-CG2 4.24Å
65L97.9Very high97.7Very high25 Ų2532.5 Ų32.513%0.13116%0.157CC..Hα-helixtrans-64.3-43.7175.7-58.9-174.6000111.5Y61 F62 L67 F68 D69 W73 M98Y61-L65 HydrophobicContact CD1-CD1 4.36Å; Y61-L65 HydrophobicContact CE1-CD1 3.73Å; Y61-L65 HydrophobicContact CE1-CG 4.26Å; Y61-L65 HydrophobicContact CE2-CD2 4.11Å; Y61-L65 HydrophobicContact CE2-CG 4.4Å; Y61-L65 WeakPolarHBondContact O-CG 3.5Å; Y61-L65 PolarHBondContact O-N 2.76Å; Y61-L65 VanDerWaalsContact O-N 3.1Å; F62-L65 PolarHBondContact O-N 2.95Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.73Å; L65-F68 PolarHBondContact O-N 2.67Å; L65-F68 VanDerWaalsContact O-N 3.16Å; L65-D69 PolarHBondContact O-N 2.81Å; L65-W73 HydrophobicContact CB-CH2 4.31Å; L65-W73 HydrophobicContact CD2-CH2 3.99Å; L65-W73 HydrophobicContact CD2-CZ3 4.31Å; L65-M98 HydrophobicContact CD2-CE 3.62Å
66R97.1Very high97.7Very high62 Ų6240.8 Ų40.823%0.23420%0.195CC..Hα-helixtrans-59.3-38.3174.7-73.1173.863.5-142.1-3.9112F62 D63 D69 Y70 L288 K289 T291F62-R66 VanDerWaalsContact O-CG 3.29Å; F62-R66 WeakPolarHBondContact O-CG 3.28Å; F62-R66 PolarHBondContact O-N 2.98Å; D63-R66 PolarHBondContact O-N 3.4Å; D63-R66 IonicContact OD1-CZ 2.76Å; D63-R66 IonicContact OD1-NH1 2.81Å; D63-R66 PolarHBondContact OD1-NH1 2.79Å; R66-D69 PolarHBondContact O-N 2.99Å; R66-Y70 VanDerWaalsContact O-CB 3.24Å; R66-Y70 WeakPolarHBondContact O-CB 3.13Å; R66-Y70 PolarHBondContact O-N 3Å; R66-L288 HydrophobicContact CB-CD2 4.23Å; R66-K289 PolarHBondContact NH2-O 3.36Å; R66-T291 PolarHBondContact NH1-OG1 2.91Å; R66-T291 VanDerWaalsContact NH1-OG1 3.12Å; R66-T291 VanDerWaalsContact NH2-CG2 3.25Å
67L97.8Very high97.7Very high3 Ų342.2 Ų42.22%0.01620%0.204CC..Hα-helixtrans-61.5-44.9176.3-176.5150.1000110.5D63 L64 L65 Y70 I71 Y79 V274 L288D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.32Å; D63-L67 PolarHBondContact O-N 2.87Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.73Å; L67-Y70 PolarHBondContact O-N 3.15Å; L67-I71 HydrophobicContact CD1-CD1 4.48Å; L67-I71 HydrophobicContact CD2-CD1 3.59Å; L67-I71 HydrophobicContact CG-CD1 3.61Å; L67-I71 WeakPolarHBondContact O-CB 3.5Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.27Å; L67-Y79 HydrophobicContact CD2-CE1 4.18Å; L67-V274 HydrophobicContact CD1-CG1 3.8Å; L67-V274 HydrophobicContact CG-CG1 4.31Å; L67-L288 HydrophobicContact CB-CD2 4.3Å
68F98.1Very high97.7Very high0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-66.9-39.9174.7-62.6-39.8000113.5L64 L65 Y70 G72 W73 P74 Y79 F81 Y102 F110L64-F68 HydrophobicContact CD1-CD2 4.46Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 3.71Å; L64-F68 HydrophobicContact CD1-CZ 3.55Å; L64-F68 HydrophobicContact CD2-CE2 4.2Å; L64-F68 HydrophobicContact CG-CD2 4.29Å; L64-F68 HydrophobicContact CG-CE2 3.66Å; L64-F68 HydrophobicContact CG-CZ 4.04Å; L64-F68 WeakPolarHBondContact O-CD2 3.35Å; L64-F68 PolarHBondContact O-N 3.12Å; L64-F68 VanDerWaalsContact O-N 3.12Å; L65-F68 PolarHBondContact O-N 2.67Å; L65-F68 VanDerWaalsContact O-N 3.16Å; F68-Y70 VanDerWaalsContact C-N 3.27Å; F68-Y70 PolarHBondContact O-N 3.41Å; F68-G72 CarbonylContact O-C 3.59Å; F68-G72 VanDerWaalsContact O-CA 3.22Å; F68-G72 WeakPolarHBondContact O-CA 3.31Å; F68-G72 PolarHBondContact O-N 2.87Å; F68-W73 HydrophobicContact CB-CD2 3.66Å; F68-W73 HydrophobicContact CB-CE3 3.43Å; F68-W73 VanDerWaalsContact CB-CE3 3.43Å; F68-W73 HydrophobicContact CB-CG 4.38Å; F68-W73 HydrophobicContact CB-CH2 3.82Å; F68-W73 HydrophobicContact CB-CZ2 4.02Å; F68-W73 HydrophobicContact CB-CZ3 3.52Å; F68-W73 AromaticContact CD2-CE3 3.89Å; F68-W73 HydrophobicContact CD2-CE3 3.89Å; F68-W73 HydrophobicContact CD2-CH2 4.17Å; F68-W73 AromaticContact CD2-CZ3 3.46Å; F68-W73 HydrophobicContact CD2-CZ3 3.46Å; F68-W73 VanDerWaalsContact CD2-CZ3 3.46Å; F68-W73 HydrophobicContact CE2-CZ3 4.49Å; F68-W73 AromaticContact CG-CE3 3.92Å; F68-W73 HydrophobicContact CG-CE3 3.92Å; F68-W73 AromaticContact CG-CZ3 3.88Å; F68-W73 HydrophobicContact CG-CZ3 3.88Å; F68-P74 HydrophobicContact CE1-CG 4.29Å; F68-Y79 HydrophobicContact CD1-CE1 4.29Å; F68-Y79 HydrophobicContact CD1-CE2 4.12Å; F68-Y79 AromaticContact CD1-CZ 3.84Å; F68-Y79 HydrophobicContact CE1-CD1 4.47Å; F68-Y79 HydrophobicContact CE1-CD2 4.46Å; F68-Y79 HydrophobicContact CE1-CE1 4.23Å; F68-Y79 HydrophobicContact CE1-CE2 4.2Å; F68-F81 HydrophobicContact CE1-CE2 4.13Å; F68-F81 AromaticContact CE1-CZ 3.79Å; F68-F81 HydrophobicContact CE1-CZ 3.79Å; F68-F81 HydrophobicContact CZ-CE2 4.27Å; F68-F81 AromaticContact CZ-CZ 3.88Å; F68-F81 HydrophobicContact CZ-CZ 3.88Å; F68-Y102 HydrophobicContact CD2-CE2 4.27Å; F68-Y102 HydrophobicContact CE2-CD2 4.2Å; F68-Y102 AromaticContact CE2-CE2 3.72Å; F68-Y102 HydrophobicContact CE2-CE2 3.72Å; F68-Y102 HydrophobicContact CZ-CD2 4.34Å; F68-Y102 HydrophobicContact CZ-CE2 4.26Å; F68-F110 HydrophobicContact CE1-CE2 4.16Å; F68-F110 AromaticContact CZ-CE2 3.98Å; F68-F110 HydrophobicContact CZ-CE2 3.98Å; F68-F110 HydrophobicContact CZ-CZ 4.2Å
69D97.3Very high97.7Very high113 Ų11344.5 Ų44.560%0.60421%0.212SC*.Hα-helixtrans-62.1-36.4174.2-85.2-35.1000112.3L65 R66 W73L65-D69 PolarHBondContact O-N 2.81Å; R66-D69 PolarHBondContact O-N 2.99Å; D69-W73 VanDerWaalsContact OD1-CE2 3.29Å; D69-W73 WeakPolarHBondContact OD1-CZ2 3.3Å; D69-W73 PolarHBondContact OD1-NE1 3.08Å
70Y96.9Very high97.7Very high142 Ų14244.5 Ų44.556%0.55721%0.212SC*.Hα-helixtrans-79.4-38.6-177-170.5-114.7000113.3R66 L67 F68 T286 L288R66-Y70 VanDerWaalsContact O-CB 3.24Å; R66-Y70 WeakPolarHBondContact O-CB 3.13Å; R66-Y70 PolarHBondContact O-N 3Å; L67-Y70 PolarHBondContact O-N 3.15Å; F68-Y70 VanDerWaalsContact C-N 3.27Å; F68-Y70 PolarHBondContact O-N 3.41Å; Y70-T286 HydrophobicContact CD1-CG2 3.93Å; Y70-T286 HydrophobicContact CE1-CG2 3.45Å; Y70-T286 VanDerWaalsContact CE1-CG2 3.45Å; Y70-L288 HydrophobicContact CD1-CD1 4.23Å; Y70-L288 HydrophobicContact CG-CD1 4.12Å
71I97.5Very high97.8Very high43 Ų4343.1 Ų43.122%0.22121%0.206CC..Hα-helixtrans-95.7-38.6-175.5-63.1159000111.9V52 L67 V77 Y79 V274 T286V52-I71 HydrophobicContact CG1-CD1 4.39Å; V52-I71 HydrophobicContact CG1-CG2 4.23Å; V52-I71 HydrophobicContact CG2-CG2 3.93Å; L67-I71 HydrophobicContact CD1-CD1 4.48Å; L67-I71 HydrophobicContact CD2-CD1 3.59Å; L67-I71 HydrophobicContact CG-CD1 3.61Å; L67-I71 WeakPolarHBondContact O-CB 3.5Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.27Å; I71-V77 HydrophobicContact CG2-CG1 4.25Å; I71-Y79 WeakPolarHBondContact CB-OH 3.33Å; I71-Y79 HydrophobicContact CG2-CE1 4.37Å; I71-Y79 VanDerWaalsContact CG2-OH 3.28Å; I71-Y79 WeakPolarHBondContact CG2-OH 3.4Å; I71-V274 HydrophobicContact CD1-CB 4.17Å; I71-V274 HydrophobicContact CD1-CG1 3.73Å; I71-V274 HydrophobicContact CD1-CG2 3.48Å; I71-V274 VanDerWaalsContact CD1-CG2 3.48Å; I71-V274 HydrophobicContact CG1-CG2 4.19Å; I71-T286 HydrophobicContact CG1-CG2 4.44Å
72G97.9Very high97.9Very high20 Ų2043.1 Ų43.121%0.20621%0.205CC..  trans130.7141.2-175.500000112.2F68 Y79F68-G72 CarbonylContact O-C 3.59Å; F68-G72 VanDerWaalsContact O-CA 3.22Å; F68-G72 WeakPolarHBondContact O-CA 3.31Å; F68-G72 PolarHBondContact O-N 2.87Å; G72-Y79 WeakPolarHBondContact O-CE2 3.47Å; G72-Y79 PolarHBondContact O-OH 3.09Å
73W97.9Very high98Very high67 Ų6738.8 Ų38.825%0.25419%0.187SC..  trans-78.5145-174.4-69.391.3000113.1F17 L65 F68 D69 H76 V77 Y102F17-W73 HydrophobicContact CD1-CH2 4.44Å; F17-W73 HydrophobicContact CE1-CE3 4.27Å; F17-W73 AromaticContact CE1-CH2 3.74Å; F17-W73 HydrophobicContact CE1-CH2 3.74Å; F17-W73 AromaticContact CE1-CZ3 3.54Å; F17-W73 HydrophobicContact CE1-CZ3 3.54Å; F17-W73 HydrophobicContact CZ-CZ3 4.19Å; L65-W73 HydrophobicContact CB-CH2 4.31Å; L65-W73 HydrophobicContact CD2-CH2 3.99Å; L65-W73 HydrophobicContact CD2-CZ3 4.31Å; F68-W73 HydrophobicContact CB-CD2 3.66Å; F68-W73 HydrophobicContact CB-CE3 3.43Å; F68-W73 VanDerWaalsContact CB-CE3 3.43Å; F68-W73 HydrophobicContact CB-CG 4.38Å; F68-W73 HydrophobicContact CB-CH2 3.82Å; F68-W73 HydrophobicContact CB-CZ2 4.02Å; F68-W73 HydrophobicContact CB-CZ3 3.52Å; F68-W73 AromaticContact CD2-CE3 3.89Å; F68-W73 HydrophobicContact CD2-CE3 3.89Å; F68-W73 HydrophobicContact CD2-CH2 4.17Å; F68-W73 AromaticContact CD2-CZ3 3.46Å; F68-W73 HydrophobicContact CD2-CZ3 3.46Å; F68-W73 VanDerWaalsContact CD2-CZ3 3.46Å; F68-W73 HydrophobicContact CE2-CZ3 4.49Å; F68-W73 AromaticContact CG-CE3 3.92Å; F68-W73 HydrophobicContact CG-CE3 3.92Å; F68-W73 AromaticContact CG-CZ3 3.88Å; F68-W73 HydrophobicContact CG-CZ3 3.88Å; D69-W73 VanDerWaalsContact OD1-CE2 3.29Å; D69-W73 WeakPolarHBondContact OD1-CZ2 3.3Å; D69-W73 PolarHBondContact OD1-NE1 3.08Å; W73-H76 WeakPolarHBondContact O-CA 3.33Å; W73-H76 VanDerWaalsContact O-CB 3.3Å; W73-H76 WeakPolarHBondContact O-CB 3.21Å; W73-H76 PolarHBondContact O-N 2.83Å; W73-V77 PolarHBondContact O-N 2.97Å; W73-Y102 VanDerWaalsContact CZ3-OH 3.28Å; W73-Y102 WeakPolarHBondContact CZ3-OH 3.46Å
74P97.5Very high98Very high8 Ų837.6 Ų37.65%0.05218%0.18CC..THydrogen-bonded Turntrans-61.3142.7167-16.828.3000111.5F68 Y79 Y102 F106 F110F68-P74 HydrophobicContact CE1-CG 4.29Å; P74-Y79 HydrophobicContact CB-CD2 4.48Å; P74-Y79 HydrophobicContact CG-CD2 3.78Å; P74-Y79 HydrophobicContact CG-CE2 3.88Å; P74-Y102 HydrophobicContact CB-CD1 3.74Å; P74-Y102 HydrophobicContact CB-CE1 3.92Å; P74-Y102 HydrophobicContact CB-CG 4.33Å; P74-Y102 HydrophobicContact CG-CD1 3.87Å; P74-Y102 HydrophobicContact CG-CD2 4.34Å; P74-Y102 HydrophobicContact CG-CE1 3.91Å; P74-Y102 HydrophobicContact CG-CE2 4.38Å; P74-Y102 HydrophobicContact CG-CG 4.1Å; P74-F106 HydrophobicContact CB-CD2 4.08Å; P74-F106 HydrophobicContact CB-CE2 4.45Å; P74-F110 HydrophobicContact CB-CD2 3.91Å; P74-F110 HydrophobicContact CB-CE2 4.48Å; P74-F110 HydrophobicContact CG-CD2 3.59Å; P74-F110 HydrophobicContact CG-CE2 3.67Å
75P97.1Very high98.1Very high47 Ų4737.6 Ų37.631%0.30518%0.18SC..THydrogen-bonded Turncis-92.57.30.937.9-33.3000113.2V77 F106 D109P75-V77 PolarHBondContact O-N 3.41Å; P75-F106 HydrophobicContact CB-CB 4.15Å; P75-F106 HydrophobicContact CB-CD1 3.72Å; P75-F106 HydrophobicContact CB-CD2 4.2Å; P75-F106 HydrophobicContact CB-CE1 4.16Å; P75-F106 HydrophobicContact CB-CG 3.75Å; P75-F106 HydrophobicContact CG-CD1 3.7Å; P75-F106 HydrophobicContact CG-CD2 4.5Å; P75-F106 HydrophobicContact CG-CE1 3.63Å; P75-F106 HydrophobicContact CG-CE2 4.43Å; P75-F106 HydrophobicContact CG-CG 4.16Å; P75-F106 HydrophobicContact CG-CZ 4.03Å; P75-D109 HydrophobicContact CB-CB 4.04Å
76H97.9Very high98.1Very high173 Ų17336.4 Ų36.480%0.80117%0.174SC*.THydrogen-bonded Turntrans-60-28.6179-59-70.7000112.2W73W73-H76 WeakPolarHBondContact O-CA 3.33Å; W73-H76 VanDerWaalsContact O-CB 3.3Å; W73-H76 WeakPolarHBondContact O-CB 3.21Å; W73-H76 PolarHBondContact O-N 2.83Å
77V98.4Very high98.2Very high32 Ų3233.4 Ų33.419%0.19416%0.163CC..SBendtrans-119.7135.3167.8178.40000108.4V52 I71 W73 P75 Y79V52-V77 HydrophobicContact CB-CG1 4.12Å; V52-V77 HydrophobicContact CG2-CG1 3.49Å; V52-V77 VanDerWaalsContact CG2-CG1 3.49Å; I71-V77 HydrophobicContact CG2-CG1 4.25Å; W73-V77 PolarHBondContact O-N 2.97Å; P75-V77 PolarHBondContact O-N 3.41Å; V77-Y79 HydrophobicContact CB-CD2 4.36Å; V77-Y79 HydrophobicContact CB-CE2 3.64Å; V77-Y79 HydrophobicContact CG1-CD2 4.16Å; V77-Y79 HydrophobicContact CG1-CE1 4.36Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å; V77-Y79 VanDerWaalsContact O-CD2 3.25Å; V77-Y79 WeakPolarHBondContact O-CD2 3.49Å; V77-Y79 WeakPolarHBondContact O-CE2 3.39Å
78R98.6Very high98.1Very high52 Ų5238.1 Ų38.120%0.19618%0.18CC..  trans-85.9137.7174.9-62-179.767.3-139.60.7110D48 P50 V52 I108 D109D48-R78 PolarHBondContact O-NH1 3.37Å; P50-R78 PolarHBondContact O-NH1 3.36Å; V52-R78 PolarHBondContact N-O 3.35Å; R78-I108 PolarHBondContact NE-O 2.79Å; R78-I108 PolarHBondContact NH2-O 3.03Å; R78-D109 CarbonylContact C-O 3.43Å; R78-D109 WeakPolarHBondContact CA-O 3.29Å; R78-D109 WeakPolarHBondContact CD-OD1 3.26Å; R78-D109 HydrophobicContact CG-CB 3.91Å; R78-D109 WeakPolarHBondContact CG-OD1 3.37Å; R78-D109 IonicContact NE-OD1 3.98Å; R78-D109 PolarHBondContact NE-OD1 2.9Å
79Y98.9Very high98Very high0 Ų039 Ų390%019%0.19CC..EExtended strand (participates in β ladder)trans-126142.4-174.2-75.3-86000112.7V52 L67 F68 I71 G72 P74 V77 F81 D109 F110 F111V52-Y79 HydrophobicContact CB-CD1 3.88Å; V52-Y79 HydrophobicContact CB-CE1 3.84Å; V52-Y79 HydrophobicContact CG1-CD1 4.01Å; V52-Y79 HydrophobicContact CG1-CE1 3.75Å; V52-Y79 CarbonylContact O-C 3.54Å; V52-Y79 VanDerWaalsContact O-CA 3.3Å; V52-Y79 WeakPolarHBondContact O-CA 3.47Å; L67-Y79 HydrophobicContact CD2-CE1 4.18Å; F68-Y79 HydrophobicContact CD1-CE1 4.29Å; F68-Y79 HydrophobicContact CD1-CE2 4.12Å; F68-Y79 AromaticContact CD1-CZ 3.84Å; F68-Y79 HydrophobicContact CE1-CD1 4.47Å; F68-Y79 HydrophobicContact CE1-CD2 4.46Å; F68-Y79 HydrophobicContact CE1-CE1 4.23Å; F68-Y79 HydrophobicContact CE1-CE2 4.2Å; I71-Y79 WeakPolarHBondContact CB-OH 3.33Å; I71-Y79 HydrophobicContact CG2-CE1 4.37Å; I71-Y79 VanDerWaalsContact CG2-OH 3.28Å; I71-Y79 WeakPolarHBondContact CG2-OH 3.4Å; G72-Y79 WeakPolarHBondContact O-CE2 3.47Å; G72-Y79 PolarHBondContact O-OH 3.09Å; P74-Y79 HydrophobicContact CB-CD2 4.48Å; P74-Y79 HydrophobicContact CG-CD2 3.78Å; P74-Y79 HydrophobicContact CG-CE2 3.88Å; V77-Y79 HydrophobicContact CB-CD2 4.36Å; V77-Y79 HydrophobicContact CB-CE2 3.64Å; V77-Y79 HydrophobicContact CG1-CD2 4.16Å; V77-Y79 HydrophobicContact CG1-CE1 4.36Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å; V77-Y79 VanDerWaalsContact O-CD2 3.25Å; V77-Y79 WeakPolarHBondContact O-CD2 3.49Å; V77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Y79-F81 AromaticContact CD1-CE2 3.98Å; Y79-F81 HydrophobicContact CD1-CE2 3.98Å; Y79-F81 HydrophobicContact CD1-CZ 4.44Å; Y79-F81 HydrophobicContact CG-CE2 4.07Å; Y79-D109 PolarHBondContact N-O 3.31Å; Y79-F110 HydrophobicContact CD2-CD2 4.24Å; Y79-F110 HydrophobicContact CD2-CE2 4.29Å; Y79-F110 HydrophobicContact CG-CD2 4.38Å; Y79-F110 HydrophobicContact CG-CE2 4.26Å; Y79-F111 WeakPolarHBondContact O-CD2 3.34Å; Y79-F111 PolarHBondContact O-N 2.88Å
80L98.9Very high97.9Very high0 Ų040.5 Ų40.50%019%0.193CC..EExtended strand (participates in β ladder)trans-123.6112.5164.3174.664.2000108.5I45 V51 V52 I53 C54 L82 F111 L113 V157 C163I45-L80 HydrophobicContact CD1-CD1 4.47Å; V51-L80 HydrophobicContact CG2-CB 3.91Å; V52-L80 PolarHBondContact O-N 3.16Å; I53-L80 CarbonylContact C-O 3.53Å; I53-L80 VanDerWaalsContact CA-O 3.28Å; I53-L80 WeakPolarHBondContact CA-O 3.16Å; I53-L80 HydrophobicContact CG1-CB 4.27Å; I53-L80 HydrophobicContact CG1-CD2 4.33Å; C54-L80 PolarHBondContact N-O 3.06Å; L80-L82 HydrophobicContact CD2-CD2 4.32Å; L80-L82 HydrophobicContact CG-CD2 4.25Å; L80-F111 WeakPolarHBondContact CA-O 3.3Å; L80-F111 HydrophobicContact CB-CB 4.45Å; L80-F111 HydrophobicContact CD1-CB 3.61Å; L80-L113 HydrophobicContact CD1-CD1 4.24Å; L80-L113 HydrophobicContact CD1-CD2 4.11Å; L80-L113 HydrophobicContact CD1-CG 3.85Å; L80-V157 HydrophobicContact CD2-CG2 4.03Å; L80-C163 HydrophobicContact CD2-CB 3.8Å
81F98.9Very high97.9Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-93136.9173.5-76.8-101.8000111C54 I57 L64 F68 Y79 Y85 F110 F111 L113C54-F81 HydrophobicContact CB-CD1 3.52Å; C54-F81 HydrophobicContact CB-CD2 4.39Å; C54-F81 HydrophobicContact CB-CE1 3.53Å; C54-F81 HydrophobicContact CB-CE2 4.38Å; C54-F81 HydrophobicContact CB-CG 3.98Å; C54-F81 HydrophobicContact CB-CZ 3.97Å; C54-F81 WeakPolarHBondContact O-CA 3.06Å; I57-F81 HydrophobicContact CD1-CE1 4.1Å; I57-F81 HydrophobicContact CG1-CD1 4.24Å; I57-F81 HydrophobicContact CG1-CE1 4.05Å; L64-F81 HydrophobicContact CD1-CE1 3.76Å; L64-F81 HydrophobicContact CD1-CZ 3.77Å; F68-F81 HydrophobicContact CE1-CE2 4.13Å; F68-F81 AromaticContact CE1-CZ 3.79Å; F68-F81 HydrophobicContact CE1-CZ 3.79Å; F68-F81 HydrophobicContact CZ-CE2 4.27Å; F68-F81 AromaticContact CZ-CZ 3.88Å; F68-F81 HydrophobicContact CZ-CZ 3.88Å; Y79-F81 AromaticContact CD1-CE2 3.98Å; Y79-F81 HydrophobicContact CD1-CE2 3.98Å; Y79-F81 HydrophobicContact CD1-CZ 4.44Å; Y79-F81 HydrophobicContact CG-CE2 4.07Å; F81-Y85 HydrophobicContact CB-CE1 3.62Å; F81-Y85 VanDerWaalsContact CB-OH 3.31Å; F81-Y85 WeakPolarHBondContact CB-OH 3.24Å; F81-Y85 HydrophobicContact CD1-CE1 4.07Å; F81-Y85 HydrophobicContact CG-CE1 4.1Å; F81-Y85 PolarHBondContact O-OH 3.24Å; F81-F110 HydrophobicContact CD2-CE1 4.11Å; F81-F110 HydrophobicContact CD2-CE2 4.23Å; F81-F110 AromaticContact CD2-CZ 3.68Å; F81-F110 HydrophobicContact CD2-CZ 3.68Å; F81-F110 HydrophobicContact CE2-CE1 4.24Å; F81-F110 AromaticContact CE2-CE2 3.63Å; F81-F110 HydrophobicContact CE2-CE2 3.63Å; F81-F110 AromaticContact CE2-CZ 3.36Å; F81-F110 HydrophobicContact CE2-CZ 3.36Å; F81-F110 HydrophobicContact CZ-CZ 4.24Å; F81-F111 PolarHBondContact N-O 3.03Å; F81-L113 WeakPolarHBondContact O-CB 3.5Å; F81-L113 WeakPolarHBondContact O-CG 3.33Å; F81-L113 PolarHBondContact O-N 2.88Å
82L98.9Very high98Very high0 Ų035.5 Ų35.50%017%0.171CC..  trans-93.411.3-173.3-58.6-177.9000114.1I53 C54 L80 L113 C163 H165 V237 A239I53-L82 HydrophobicContact CG2-CD1 3.69Å; I53-L82 HydrophobicContact CG2-CD2 3.73Å; I53-L82 HydrophobicContact CG2-CG 3.67Å; C54-L82 WeakPolarHBondContact O-CB 3.18Å; C54-L82 WeakPolarHBondContact O-CG 3.49Å; C54-L82 PolarHBondContact O-N 3.13Å; L80-L82 HydrophobicContact CD2-CD2 4.32Å; L80-L82 HydrophobicContact CG-CD2 4.25Å; L82-L113 HydrophobicContact CD2-CD1 3.72Å; L82-C163 HydrophobicContact CD2-CB 3.8Å; L82-H165 VanDerWaalsContact O-CA 3.29Å; L82-H165 WeakPolarHBondContact O-CA 3.42Å; L82-H165 WeakPolarHBondContact O-CB 3.48Å; L82-H165 VanDerWaalsContact O-CG 3.31Å; L82-H165 PolarHBondContact O-ND1 2.98Å; L82-V237 HydrophobicContact CD1-CG1 4.22Å; L82-A239 HydrophobicContact CB-CB 3.77Å; L82-A239 HydrophobicContact CD1-CB 3.99Å
83G98.8Very high98Very high0 Ų034.6 Ų34.60%016%0.161CC..SBendtrans101.6-173.3-179.800000114.9Y85 L113G83-Y85 PolarHBondContact N-OH 3.2Å; G83-L113 WeakPolarHBondContact CA-O 3.49Å
84D98.8Very high98.1Very high2 Ų232.2 Ų32.21%0.01115%0.153CC..  trans57.659.5-177.5-80.317000112.8D56 I57 H58 G115 N116 H117 E118 H165D56-D84 HydrophobicContact CB-CB 4.13Å; I57-D84 PolarHBondContact N-O 3.31Å; H58-D84 IonicContact CE1-OD2 2.68Å; H58-D84 PolarHBondContact CE1-OD2 2.77Å; H58-D84 PolarHBondContact N-O 3.49Å; H58-D84 IonicContact NE2-OD2 2.98Å; D84-G115 WeakPolarHBondContact OD1-CA 3.43Å; D84-N116 PolarHBondContact OD1-N 2.67Å; D84-N116 VanDerWaalsContact OD1-N 3.1Å; D84-N116 PolarHBondContact OD1-OD1 3.16Å; D84-N116 PolarHBondContact OD2-OD1 3.36Å; D84-H117 WeakPolarHBondContact OD1-CB 3.45Å; D84-H117 IonicContact OD1-CD2 2.84Å; D84-H117 IonicContact OD1-CG 3.67Å; D84-H117 PolarHBondContact OD1-N 3.43Å; D84-H117 IonicContact OD2-CD2 3.13Å; D84-H117 PolarHBondContact OD2-CD2 2.93Å; D84-H117 IonicContact OD2-CG 3.88Å; D84-H117 IonicContact OD2-NE2 2.73Å; D84-E118 PolarHBondContact N-OE2 3.32Å; D84-H165 VanDerWaalsContact CB-CE1 3.46Å; D84-H165 WeakPolarHBondContact CB-CE1 3.4Å; D84-H165 IonicContact OD1-CD2 3.48Å; D84-H165 IonicContact OD1-CE1 3.14Å; D84-H165 PolarHBondContact OD1-CE1 3.01Å; D84-H165 IonicContact OD1-NE2 3.36Å; D84-H165 PolarHBondContact OD1-NE2 3.16Å; D84-H165 IonicContact OD2-CE1 2.73Å; D84-H165 PolarHBondContact OD2-CE1 2.89Å; D84-H165 VanDerWaalsContact OD2-CE1 3.31Å; D84-H165 IonicContact OD2-NE2 2.75Å; D84-H165 PolarHBondContact OD2-NE2 2.98Å; D84-H165 VanDerWaalsContact OD2-NE2 3.15Å
85Y98.9Very high98.1Very high0 Ų031.8 Ų31.80%015%0.15CC..  trans-82.9-34.9177.7-52.7-67.8000112.1G59 F81 G83 V95 I96 V99 I112 L113 E118 F151G59-Y85 PolarHBondContact N-O 3.16Å; F81-Y85 HydrophobicContact CB-CE1 3.62Å; F81-Y85 VanDerWaalsContact CB-OH 3.31Å; F81-Y85 WeakPolarHBondContact CB-OH 3.24Å; F81-Y85 HydrophobicContact CD1-CE1 4.07Å; F81-Y85 HydrophobicContact CG-CE1 4.1Å; F81-Y85 PolarHBondContact O-OH 3.24Å; G83-Y85 PolarHBondContact N-OH 3.2Å; Y85-V95 WeakPolarHBondContact O-CG1 3.35Å; Y85-I96 HydrophobicContact CD2-CD1 3.84Å; Y85-I96 HydrophobicContact CG-CD1 4.08Å; Y85-V99 HydrophobicContact CD1-CG1 4.14Å; Y85-V99 HydrophobicContact CD1-CG2 3.97Å; Y85-V99 HydrophobicContact CE1-CG1 3.84Å; Y85-V99 HydrophobicContact CE1-CG2 4.2Å; Y85-I112 WeakPolarHBondContact OH-CB 3.28Å; Y85-L113 WeakPolarHBondContact CE2-O 3.25Å; Y85-L113 PolarHBondContact OH-N 2.74Å; Y85-L113 PolarHBondContact OH-O 2.81Å; Y85-E118 VanDerWaalsContact CD2-CD 3.49Å; Y85-E118 HydrophobicContact CD2-CG 3.96Å; Y85-E118 WeakPolarHBondContact CD2-OE1 3.38Å; Y85-E118 HydrophobicContact CE2-CG 4.49Å; Y85-E118 PolarHBondContact N-OE1 3.48Å; Y85-F151 HydrophobicContact CD2-CE2 4.26Å; Y85-F151 HydrophobicContact CE2-CD2 4.26Å; Y85-F151 AromaticContact CE2-CE2 3.94Å; Y85-F151 HydrophobicContact CE2-CE2 3.94Å
86V98.8Very high98.2Very high0 Ų029.6 Ų29.60%014%0.136CC..SBendtrans-105.6176.3-171.4-56.40000112H58 I96 H117 E118 N123 F128 F148H58-V86 PolarHBondContact ND1-O 3.41Å; V86-I96 HydrophobicContact CG1-CB 4.16Å; V86-I96 HydrophobicContact CG1-CG2 4.42Å; V86-H117 HydrophobicContact CG2-CB 4.28Å; V86-E118 PolarHBondContact N-OE1 3.28Å; V86-N123 HydrophobicContact CG2-CB 4.21Å; V86-F128 HydrophobicContact CB-CB 4.06Å; V86-F128 HydrophobicContact CB-CD1 4.38Å; V86-F128 HydrophobicContact CB-CD2 3.84Å; V86-F128 HydrophobicContact CB-CE2 4.33Å; V86-F128 HydrophobicContact CB-CG 3.84Å; V86-F128 HydrophobicContact CG1-CD1 4.42Å; V86-F128 HydrophobicContact CG1-CD2 3.83Å; V86-F128 HydrophobicContact CG1-CE1 4.41Å; V86-F128 HydrophobicContact CG1-CE2 3.79Å; V86-F128 HydrophobicContact CG1-CG 4.13Å; V86-F128 HydrophobicContact CG1-CZ 4.08Å; V86-F128 HydrophobicContact CG2-CB 4.16Å; V86-F128 HydrophobicContact CG2-CD1 4.28Å; V86-F128 HydrophobicContact CG2-CG 4.1Å; V86-F148 HydrophobicContact CG1-CZ 3.91Å; V86-F148 HydrophobicContact CG2-CZ 4.48Å
87D98.5Very high98.3Very high0 Ų021.3 Ų21.30%010%0.098CC..SBendtrans68.7165.8-178.8-65.3-41.4000114.4H58 G89 S92 H117 N123 Y126 G127 F128H58-D87 CarbonylContact C-O 3.59Å; H58-D87 WeakPolarHBondContact CA-O 3.42Å; H58-D87 WeakPolarHBondContact CB-O 3.42Å; D87-G89 PolarHBondContact O-N 3.46Å; D87-S92 PolarHBondContact N-OG 3.01Å; D87-S92 VanDerWaalsContact N-OG 3.08Å; D87-H117 VanDerWaalsContact CB-ND1 3.33Å; D87-H117 WeakPolarHBondContact CB-ND1 3.4Å; D87-H117 IonicContact OD2-CE1 3.66Å; D87-H117 IonicContact OD2-CG 3.04Å; D87-H117 IonicContact OD2-ND1 3.74Å; D87-H117 PolarHBondContact OD2-ND1 2.89Å; D87-N123 WeakPolarHBondContact OD1-CA 3.31Å; D87-N123 WeakPolarHBondContact OD2-CA 3.29Å; D87-N123 VanDerWaalsContact OD2-CB 3.29Å; D87-N123 WeakPolarHBondContact OD2-CB 3.28Å; D87-Y126 WeakPolarHBondContact CB-O 3.34Å; D87-Y126 VanDerWaalsContact CG-CB 3.49Å; D87-G127 PolarHBondContact OD1-N 2.86Å; D87-G127 VanDerWaalsContact OD1-N 3.16Å; D87-F128 WeakPolarHBondContact OD1-CB 3.37Å; D87-F128 PolarHBondContact OD1-N 3.25Å
88R96.2Very high98.3Very high101 Ų10119.8 Ų19.838%0.3819%0.088SC..SBendtrans66.8-49.6176.6-46.8-71.3-163.4106.16.3115.3H58 Y126 Y264H58-R88 HydrophobicContact CB-CB 4.18Å; H58-R88 HydrophobicContact CB-CG 4.49Å; R88-Y126 PolarHBondContact N-O 2.91Å; R88-Y264 HydrophobicContact CB-CE2 4.29Å; R88-Y264 HydrophobicContact CG-CE2 4.39Å; R88-Y264 WeakPolarHBondContact CG-OH 3.35Å; R88-Y264 PolarHBondContact NH1-OH 2.85Å
89G94.9Very high98.3Very high20 Ų2017.3 Ų17.321%0.2068%0.079CC..SBendtrans-84177.7175.300000113.3H58 D87H58-G89 WeakPolarHBondContact O-CA 3.08Å; H58-G89 PolarHBondContact O-N 3.39Å; D87-G89 PolarHBondContact O-N 3.46Å
90H95.4Very high98.3Very high144 Ų14417.3 Ų17.367%0.6678%0.079SC*.SBendtrans-94.8-10.3-171.4-61-54.7000115
91Y97.9Very high98.2Very high79 Ų7917.3 Ų17.331%0.318%0.079SC..  trans-130.343.3-170-50.2-66.8000111.7F19 G59 F62 I93 E94 V95F19-Y91 HydrophobicContact CE2-CD1 4.13Å; F19-Y91 HydrophobicContact CE2-CE1 4.35Å; F19-Y91 AromaticContact CZ-CD1 3.78Å; F19-Y91 HydrophobicContact CZ-CD1 3.78Å; F19-Y91 AromaticContact CZ-CE1 3.59Å; F19-Y91 HydrophobicContact CZ-CE1 3.59Å; G59-Y91 WeakPolarHBondContact O-CB 3.24Å; G59-Y91 PolarHBondContact O-N 3.47Å; G59-Y91 VanDerWaalsContact O-N 3.13Å; F62-Y91 HydrophobicContact CD2-CD2 4.28Å; F62-Y91 AromaticContact CD2-CE2 3.95Å; F62-Y91 HydrophobicContact CD2-CE2 3.95Å; F62-Y91 HydrophobicContact CE2-CD2 4.12Å; F62-Y91 AromaticContact CE2-CE2 3.6Å; F62-Y91 HydrophobicContact CE2-CE2 3.6Å; F62-Y91 AromaticContact CE2-CZ 3.87Å; Y91-I93 VanDerWaalsContact C-N 3.27Å; Y91-I93 PolarHBondContact O-N 2.67Å; Y91-E94 VanDerWaalsContact CA-OE2 3.3Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.13Å; Y91-E94 WeakPolarHBondContact CB-OE2 3.35Å; Y91-E94 PolarHBondContact O-N 3.45Å; Y91-V95 WeakPolarHBondContact O-CG2 3.39Å; Y91-V95 PolarHBondContact O-N 3.2Å
92S98.7Very high98.2Very high1 Ų117.7 Ų17.71%0.0078%0.08CC..Hα-helixtrans-61.6-38.7-178.7-54.30000111.4D87 E94 V95 I96 F128 E131D87-S92 PolarHBondContact N-OG 3.01Å; D87-S92 VanDerWaalsContact N-OG 3.08Å; S92-E94 VanDerWaalsContact C-N 3.34Å; S92-V95 PolarHBondContact O-N 3.24Å; S92-I96 VanDerWaalsContact O-CG2 3.31Å; S92-I96 WeakPolarHBondContact O-CG2 3.48Å; S92-I96 PolarHBondContact O-N 3.18Å; S92-F128 VanDerWaalsContact CB-CD2 3.47Å; S92-E131 WeakPolarHBondContact CA-OE2 3.39Å; S92-E131 WeakPolarHBondContact CB-OE2 3.46Å; S92-E131 PolarHBondContact N-OE1 2.83Å; S92-E131 PolarHBondContact N-OE2 2.85Å; S92-E131 PolarHBondContact OG-OE2 3.39Å
93I98.7Very high98.2Very high1 Ų117.7 Ų17.71%0.0058%0.08CC..Hα-helixtrans-63.1-43.7179.3-64.6174.3000110.1I27 Y91 I96 C97 F128 E131 Y136I27-I93 HydrophobicContact CD1-CG2 4.07Å; Y91-I93 VanDerWaalsContact C-N 3.27Å; Y91-I93 PolarHBondContact O-N 2.67Å; I93-I96 WeakPolarHBondContact O-CG2 3.19Å; I93-C97 WeakPolarHBondContact O-CB 3.14Å; I93-C97 PolarHBondContact O-N 3.08Å; I93-C97 PolarHBondContact O-SG 3.26Å; I93-C97 VanDerWaalsContact O-SG 3.32Å; I93-F128 HydrophobicContact CG1-CE2 3.9Å; I93-E131 HydrophobicContact CD1-CG 3.99Å; I93-E131 HydrophobicContact CG1-CG 4.24Å; I93-E131 WeakPolarHBondContact CG1-OE1 3.03Å; I93-E131 PolarHBondContact N-OE1 3.09Å; I93-E131 VanDerWaalsContact N-OE1 3.14Å; I93-Y136 HydrophobicContact CD1-CD2 3.48Å; I93-Y136 VanDerWaalsContact CD1-CD2 3.48Å; I93-Y136 HydrophobicContact CD1-CE2 3.62Å; I93-Y136 HydrophobicContact CG2-CE2 4.1Å
94E98.7Very high98.2Very high16 Ų1618.2 Ų18.28%0.0758%0.083CC..Hα-helixtrans-65.2-44.4177.5-71.678.3-176.100112.4M16 F19 Y61 Y91 S92 C97 M98 R135M16-E94 HydrophobicContact CE-CB 4.02Å; M16-E94 HydrophobicContact CE-CG 4.38Å; M16-E94 WeakPolarHBondContact CE-O 3.48Å; F19-E94 HydrophobicContact CD2-CG 4.47Å; F19-E94 HydrophobicContact CE2-CG 3.97Å; Y61-E94 HydrophobicContact CD1-CB 4.13Å; Y61-E94 HydrophobicContact CD2-CB 3.54Å; Y61-E94 HydrophobicContact CE1-CB 4.46Å; Y61-E94 HydrophobicContact CE2-CB 3.93Å; Y61-E94 HydrophobicContact CG-CB 3.64Å; Y61-E94 HydrophobicContact CG-CG 4.49Å; Y91-E94 VanDerWaalsContact CA-OE2 3.3Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.13Å; Y91-E94 WeakPolarHBondContact CB-OE2 3.35Å; Y91-E94 PolarHBondContact O-N 3.45Å; S92-E94 VanDerWaalsContact C-N 3.34Å; E94-C97 PolarHBondContact O-N 2.78Å; E94-M98 VanDerWaalsContact O-CB 3.32Å; E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 PolarHBondContact O-N 2.95Å; E94-R135 VanDerWaalsContact CD-NH1 3.29Å; E94-R135 IonicContact OE1-CZ 3.31Å; E94-R135 VanDerWaalsContact OE1-CZ 3.23Å; E94-R135 IonicContact OE1-NH1 3.81Å; E94-R135 PolarHBondContact OE1-NH1 3.08Å; E94-R135 IonicContact OE1-NH2 3.59Å; E94-R135 PolarHBondContact OE1-NH2 3.35Å; E94-R135 IonicContact OE2-CZ 3.35Å; E94-R135 IonicContact OE2-NH1 3.93Å; E94-R135 PolarHBondContact OE2-NH1 3.15Å; E94-R135 IonicContact OE2-NH2 3.5Å
95V98.8Very high98.1Very high0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-57.5-55.2177.3170.90000110.2I57 Y61 L64 Y85 Y91 S92 C97 M98 V99I57-V95 HydrophobicContact CB-CG1 4.23Å; I57-V95 HydrophobicContact CG2-CG1 3.69Å; I57-V95 HydrophobicContact CG2-CG2 3.9Å; Y61-V95 HydrophobicContact CD2-CG2 4.36Å; L64-V95 HydrophobicContact CD2-CG1 4.24Å; Y85-V95 WeakPolarHBondContact O-CG1 3.35Å; Y91-V95 WeakPolarHBondContact O-CG2 3.39Å; Y91-V95 PolarHBondContact O-N 3.2Å; S92-V95 PolarHBondContact O-N 3.24Å; V95-C97 VanDerWaalsContact C-N 3.34Å; V95-C97 PolarHBondContact O-N 3.09Å; V95-M98 PolarHBondContact O-N 2.84Å; V95-V99 HydrophobicContact CG1-CG2 4.36Å; V95-V99 WeakPolarHBondContact O-CB 3.39Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.26Å; V95-V99 PolarHBondContact O-N 2.8Å
96I98.9Very high98.1Very high0 Ų023.4 Ų23.40%011%0.108CC..Hα-helixtrans-66.8-36.3-175.6-169.360.8000112.2Y85 V86 S92 I93 M100 F128 F144 F148 F151Y85-I96 HydrophobicContact CD2-CD1 3.84Å; Y85-I96 HydrophobicContact CG-CD1 4.08Å; V86-I96 HydrophobicContact CG1-CB 4.16Å; V86-I96 HydrophobicContact CG1-CG2 4.42Å; S92-I96 VanDerWaalsContact O-CG2 3.31Å; S92-I96 WeakPolarHBondContact O-CG2 3.48Å; S92-I96 PolarHBondContact O-N 3.18Å; I93-I96 WeakPolarHBondContact O-CG2 3.19Å; I96-M100 HydrophobicContact CD1-CG 4.37Å; I96-M100 HydrophobicContact CG1-CG 4.44Å; I96-M100 WeakPolarHBondContact O-CB 3.29Å; I96-M100 WeakPolarHBondContact O-CG 3.46Å; I96-M100 PolarHBondContact O-N 3.45Å; I96-F128 HydrophobicContact CG2-CE2 4.5Å; I96-F128 HydrophobicContact CG2-CZ 4.49Å; I96-F144 HydrophobicContact CB-CE1 4.39Å; I96-F144 HydrophobicContact CG1-CD1 4.29Å; I96-F144 HydrophobicContact CG1-CE1 4.05Å; I96-F144 HydrophobicContact CG2-CD1 4.1Å; I96-F144 HydrophobicContact CG2-CE1 3.4Å; I96-F144 VanDerWaalsContact CG2-CE1 3.4Å; I96-F144 HydrophobicContact CG2-CE2 4.47Å; I96-F144 HydrophobicContact CG2-CZ 3.63Å; I96-F148 HydrophobicContact CD1-CE1 3.72Å; I96-F148 HydrophobicContact CG1-CE1 3.73Å; I96-F148 HydrophobicContact CG1-CZ 4.18Å; I96-F151 HydrophobicContact CD1-CE2 3.94Å; I96-F151 HydrophobicContact CD1-CZ 3.95Å
97C98.9Very high98Very high0 Ų025.1 Ų25.10%012%0.12CC..Hα-helixtrans-64.5-41.8174.6-78.70000112M16 L22 I30 I93 E94 V95 L101M16-C97 HydrophobicContact CE-CB 4.15Å; M16-C97 HydrophobicContact SD-CB 4.34Å; L22-C97 HydrophobicContact CD1-CB 3.84Å; I30-C97 HydrophobicContact CD1-CB 4.01Å; I93-C97 WeakPolarHBondContact O-CB 3.14Å; I93-C97 PolarHBondContact O-N 3.08Å; I93-C97 PolarHBondContact O-SG 3.26Å; I93-C97 VanDerWaalsContact O-SG 3.32Å; E94-C97 PolarHBondContact O-N 2.78Å; V95-C97 VanDerWaalsContact C-N 3.34Å; V95-C97 PolarHBondContact O-N 3.09Å; C97-L101 WeakPolarHBondContact O-CB 3.39Å; C97-L101 VanDerWaalsContact O-CG 3.26Å; C97-L101 WeakPolarHBondContact O-CG 3.22Å; C97-L101 PolarHBondContact O-N 3Å
98M98.7Very high97.9Very high0 Ų030.9 Ų30.90%015%0.149CC..Hα-helixtrans-64.2-47.5177.4-175.561.410200111.6M13 M16 F17 Y61 L64 L65 E94 V95 M100 L101 Y102M13-M98 HydrophobicContact CE-CE 4.48Å; M13-M98 HydrophobicContact CE-SD 3.81Å; M13-M98 HydrophobicContact SD-SD 4.28Å; M16-M98 HydrophobicContact CB-CE 3.62Å; M16-M98 HydrophobicContact CB-SD 4.16Å; M16-M98 HydrophobicContact CE-CB 3.97Å; M16-M98 HydrophobicContact CG-CE 4.45Å; M16-M98 HydrophobicContact CG-SD 4.41Å; F17-M98 HydrophobicContact CD1-CE 4.23Å; F17-M98 HydrophobicContact CE1-CE 4.05Å; Y61-M98 HydrophobicContact CE2-CB 4Å; Y61-M98 HydrophobicContact CE2-CE 4.13Å; Y61-M98 HydrophobicContact CE2-CG 4.33Å; Y61-M98 WeakPolarHBondContact OH-CE 3.26Å; L64-M98 HydrophobicContact CD2-CB 4.42Å; L64-M98 HydrophobicContact CD2-CG 4.34Å; L65-M98 HydrophobicContact CD2-CE 3.62Å; E94-M98 VanDerWaalsContact O-CB 3.32Å; E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 PolarHBondContact O-N 2.95Å; V95-M98 PolarHBondContact O-N 2.84Å; M98-M100 PolarHBondContact O-N 3.48Å; M98-L101 PolarHBondContact O-N 2.78Å; M98-Y102 HydrophobicContact CE-CE2 4.44Å; M98-Y102 HydrophobicContact CG-CD2 3.92Å; M98-Y102 HydrophobicContact CG-CE2 3.74Å; M98-Y102 WeakPolarHBondContact O-CD2 3.37Å; M98-Y102 PolarHBondContact O-N 3.18Å; M98-Y102 HydrophobicContact SD-CD2 3.92Å; M98-Y102 HydrophobicContact SD-CE2 3.44Å; M98-Y102 WeakPolarHBondContact SD-CE2 3.38Å
99V98.7Very high98Very high0 Ų027.9 Ų27.90%014%0.141CC..Hα-helixtrans-58-46.9177.6166.50000110.9L64 Y85 V95 Y102 K103 F110 I112L64-V99 HydrophobicContact CD2-CG2 4.24Å; Y85-V99 HydrophobicContact CD1-CG1 4.14Å; Y85-V99 HydrophobicContact CD1-CG2 3.97Å; Y85-V99 HydrophobicContact CE1-CG1 3.84Å; Y85-V99 HydrophobicContact CE1-CG2 4.2Å; V95-V99 HydrophobicContact CG1-CG2 4.36Å; V95-V99 WeakPolarHBondContact O-CB 3.39Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.26Å; V95-V99 PolarHBondContact O-N 2.8Å; V99-Y102 PolarHBondContact O-N 3.18Å; V99-K103 PolarHBondContact O-N 2.84Å; V99-F110 HydrophobicContact CB-CE1 4.49Å; V99-F110 HydrophobicContact CG1-CE1 4.12Å; V99-F110 WeakPolarHBondContact O-CE1 3.42Å; V99-I112 HydrophobicContact CG1-CB 4.2Å; V99-I112 HydrophobicContact CG1-CD1 4.11Å; V99-I112 HydrophobicContact CG1-CG2 3.46Å; V99-I112 VanDerWaalsContact CG1-CG2 3.46Å
100M98.7Very high98.2Very high0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-68-38.5176.6-70.4-164.6-48.700112.8I30 I31 I96 M98 Y102 K103 I104 F144 A147 F151I30-M100 HydrophobicContact CB-CE 4.32Å; I30-M100 HydrophobicContact CG2-CB 3.68Å; I30-M100 HydrophobicContact CG2-CE 3.63Å; I31-M100 HydrophobicContact CB-CE 4.37Å; I31-M100 HydrophobicContact CG1-CE 3.71Å; I96-M100 HydrophobicContact CD1-CG 4.37Å; I96-M100 HydrophobicContact CG1-CG 4.44Å; I96-M100 WeakPolarHBondContact O-CB 3.29Å; I96-M100 WeakPolarHBondContact O-CG 3.46Å; I96-M100 PolarHBondContact O-N 3.45Å; M98-M100 PolarHBondContact O-N 3.48Å; M100-Y102 VanDerWaalsContact C-N 3.33Å; M100-Y102 PolarHBondContact O-N 3.5Å; M100-K103 PolarHBondContact O-N 2.77Å; M100-I104 VanDerWaalsContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CD1 3.28Å; M100-I104 WeakPolarHBondContact O-CG1 3.32Å; M100-I104 PolarHBondContact O-N 3.04Å; M100-F144 HydrophobicContact CE-CD1 4.38Å; M100-F144 HydrophobicContact CE-CE1 3.71Å; M100-A147 HydrophobicContact SD-CB 4.41Å; M100-F151 HydrophobicContact CG-CZ 4.28Å; M100-F151 HydrophobicContact SD-CE1 4.49Å; M100-F151 HydrophobicContact SD-CZ 4.29Å
101L98.6Very high98.4Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-59.2-44.3175.9-82.8168000111.7L9 L12 M13 M16 I30 C97 M98 I104 L105L9-L101 HydrophobicContact CD2-CD2 3.8Å; L12-L101 HydrophobicContact CB-CD1 4.13Å; L12-L101 HydrophobicContact CB-CD2 3.92Å; L12-L101 HydrophobicContact CD1-CD2 4.08Å; M13-L101 HydrophobicContact SD-CB 3.73Å; M13-L101 HydrophobicContact SD-CD1 3.96Å; M13-L101 HydrophobicContact SD-CG 4.31Å; M16-L101 HydrophobicContact CG-CD1 3.54Å; M16-L101 HydrophobicContact SD-CD1 4.38Å; I30-L101 HydrophobicContact CD1-CD1 3.91Å; I30-L101 HydrophobicContact CD1-CD2 4.23Å; I30-L101 HydrophobicContact CD1-CG 3.98Å; I30-L101 HydrophobicContact CG1-CD1 4.48Å; I30-L101 HydrophobicContact CG1-CD2 3.9Å; I30-L101 HydrophobicContact CG1-CG 4.05Å; I30-L101 HydrophobicContact CG2-CD2 4.36Å; I30-L101 HydrophobicContact CG2-CG 3.99Å; C97-L101 WeakPolarHBondContact O-CB 3.39Å; C97-L101 VanDerWaalsContact O-CG 3.26Å; C97-L101 WeakPolarHBondContact O-CG 3.22Å; C97-L101 PolarHBondContact O-N 3Å; M98-L101 PolarHBondContact O-N 2.78Å; L101-I104 PolarHBondContact O-N 3.27Å; L101-L105 WeakPolarHBondContact O-CB 3.45Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 3.44Å
102Y98.6Very high98.4Very high7 Ų717 Ų173%0.0279%0.087CC..Hα-helixtrans-65.2-40.7174.9-79.7-58.1000112.6M13 F17 F68 W73 P74 M98 V99 M100 I104 L105 F106 F110M13-Y102 HydrophobicContact CE-CD1 4.39Å; M13-Y102 HydrophobicContact CE-CE1 3.74Å; M13-Y102 HydrophobicContact CE-CE2 4.14Å; F17-Y102 WeakPolarHBondContact CZ-OH 3.44Å; F68-Y102 HydrophobicContact CD2-CE2 4.27Å; F68-Y102 HydrophobicContact CE2-CD2 4.2Å; F68-Y102 AromaticContact CE2-CE2 3.72Å; F68-Y102 HydrophobicContact CE2-CE2 3.72Å; F68-Y102 HydrophobicContact CZ-CD2 4.34Å; F68-Y102 HydrophobicContact CZ-CE2 4.26Å; W73-Y102 VanDerWaalsContact CZ3-OH 3.28Å; W73-Y102 WeakPolarHBondContact CZ3-OH 3.46Å; P74-Y102 HydrophobicContact CB-CD1 3.74Å; P74-Y102 HydrophobicContact CB-CE1 3.92Å; P74-Y102 HydrophobicContact CB-CG 4.33Å; P74-Y102 HydrophobicContact CG-CD1 3.87Å; P74-Y102 HydrophobicContact CG-CD2 4.34Å; P74-Y102 HydrophobicContact CG-CE1 3.91Å; P74-Y102 HydrophobicContact CG-CE2 4.38Å; P74-Y102 HydrophobicContact CG-CG 4.1Å; M98-Y102 HydrophobicContact CE-CE2 4.44Å; M98-Y102 HydrophobicContact CG-CD2 3.92Å; M98-Y102 HydrophobicContact CG-CE2 3.74Å; M98-Y102 WeakPolarHBondContact O-CD2 3.37Å; M98-Y102 PolarHBondContact O-N 3.18Å; M98-Y102 HydrophobicContact SD-CD2 3.92Å; M98-Y102 HydrophobicContact SD-CE2 3.44Å; M98-Y102 WeakPolarHBondContact SD-CE2 3.38Å; V99-Y102 PolarHBondContact O-N 3.18Å; M100-Y102 VanDerWaalsContact C-N 3.33Å; M100-Y102 PolarHBondContact O-N 3.5Å; Y102-I104 VanDerWaalsContact C-N 3.28Å; Y102-I104 PolarHBondContact O-N 2.85Å; Y102-L105 PolarHBondContact O-N 2.92Å; Y102-F106 AromaticContact CD1-CD2 3.82Å; Y102-F106 HydrophobicContact CD1-CD2 3.82Å; Y102-F106 AromaticContact CD1-CE2 3.75Å; Y102-F106 HydrophobicContact CD1-CE2 3.75Å; Y102-F106 HydrophobicContact CE1-CE2 4.05Å; Y102-F106 PolarHBondContact O-N 3.25Å; Y102-F110 HydrophobicContact CD2-CE2 4.16Å; Y102-F110 HydrophobicContact CD2-CZ 4.28Å; Y102-F110 HydrophobicContact CG-CD2 4.22Å; Y102-F110 HydrophobicContact CG-CE2 4.1Å; Y102-F110 HydrophobicContact CG-CZ 4.4Å
103K98.6Very high98.4Very high0 Ų016.9 Ų16.90%09%0.087CC..Hα-helixtrans-60-37.8172.8176.560.9-169.1-178.90112.5A37 V38 D41 V99 M100 P107 F110 I112A37-K103 HydrophobicContact CB-CG 3.97Å; A37-K103 WeakPolarHBondContact O-CE 3.37Å; V38-K103 HydrophobicContact CG1-CD 4.48Å; V38-K103 HydrophobicContact CG1-CG 3.89Å; D41-K103 IonicContact OD1-NZ 3.15Å; D41-K103 PolarHBondContact OD1-NZ 2.9Å; D41-K103 WeakPolarHBondContact OD2-CE 3.46Å; D41-K103 IonicContact OD2-NZ 3.6Å; D41-K103 PolarHBondContact OD2-NZ 2.76Å; V99-K103 PolarHBondContact O-N 2.84Å; M100-K103 PolarHBondContact O-N 2.77Å; K103-P107 PolarHBondContact NZ-O 3.06Å; K103-P107 VanDerWaalsContact O-CA 3.28Å; K103-P107 WeakPolarHBondContact O-CA 3.49Å; K103-F110 HydrophobicContact CB-CD1 4.29Å; K103-F110 WeakPolarHBondContact CD-O 3.27Å; K103-I112 HydrophobicContact CB-CD1 4.37Å; K103-I112 HydrophobicContact CG-CD1 4.42Å
104I98.3Very high98.4Very high12 Ų1216.9 Ų16.96%0.0629%0.087CC..Hα-helixtrans-68.8-43.9177.5-66.8156.7000111.2L9 I30 M33 A37 M100 L101 Y102L9-I104 HydrophobicContact CD1-CG2 3.84Å; L9-I104 HydrophobicContact CD2-CG2 3.86Å; I30-I104 HydrophobicContact CG2-CD1 4.03Å; I30-I104 WeakPolarHBondContact O-CD1 3.38Å; M33-I104 HydrophobicContact CB-CD1 3.59Å; M33-I104 HydrophobicContact CB-CG1 3.93Å; M33-I104 HydrophobicContact CB-CG2 4.24Å; M33-I104 HydrophobicContact CE-CG2 4.49Å; A37-I104 HydrophobicContact CB-CG1 4.32Å; M100-I104 VanDerWaalsContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CD1 3.28Å; M100-I104 WeakPolarHBondContact O-CG1 3.32Å; M100-I104 PolarHBondContact O-N 3.04Å; L101-I104 PolarHBondContact O-N 3.27Å; Y102-I104 VanDerWaalsContact C-N 3.28Å; Y102-I104 PolarHBondContact O-N 2.85Å
105L97.5Very high98.4Very high57 Ų5716.1 Ų16.130%0.2988%0.083SC..Hα-helixtrans-73.5-39.6-176.4-75.5166.9000112.4L9 M13 L101 Y102L9-L105 HydrophobicContact CB-CD2 3.97Å; L9-L105 HydrophobicContact CD1-CD2 3.92Å; L9-L105 HydrophobicContact CG-CD2 4.49Å; M13-L105 HydrophobicContact CG-CD1 3.62Å; M13-L105 HydrophobicContact SD-CD1 3.72Å; L101-L105 WeakPolarHBondContact O-CB 3.45Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 3.44Å; Y102-L105 PolarHBondContact O-N 2.92Å
106F97.7Very high98.4Very high53 Ų5316.3 Ų16.323%0.2328%0.084CC..  trans-132.163.1-171.7-46.6-62.1000111.3P74 P75 Y102 I108 D109 F110P74-F106 HydrophobicContact CB-CD2 4.08Å; P74-F106 HydrophobicContact CB-CE2 4.45Å; P75-F106 HydrophobicContact CB-CB 4.15Å; P75-F106 HydrophobicContact CB-CD1 3.72Å; P75-F106 HydrophobicContact CB-CD2 4.2Å; P75-F106 HydrophobicContact CB-CE1 4.16Å; P75-F106 HydrophobicContact CB-CG 3.75Å; P75-F106 HydrophobicContact CG-CD1 3.7Å; P75-F106 HydrophobicContact CG-CD2 4.5Å; P75-F106 HydrophobicContact CG-CE1 3.63Å; P75-F106 HydrophobicContact CG-CE2 4.43Å; P75-F106 HydrophobicContact CG-CG 4.16Å; P75-F106 HydrophobicContact CG-CZ 4.03Å; Y102-F106 AromaticContact CD1-CD2 3.82Å; Y102-F106 HydrophobicContact CD1-CD2 3.82Å; Y102-F106 AromaticContact CD1-CE2 3.75Å; Y102-F106 HydrophobicContact CD1-CE2 3.75Å; Y102-F106 HydrophobicContact CE1-CE2 4.05Å; Y102-F106 PolarHBondContact O-N 3.25Å; F106-I108 PolarHBondContact O-N 2.82Å; F106-D109 HydrophobicContact CB-CB 4.09Å; F106-D109 PolarHBondContact O-N 2.86Å; F106-F110 HydrophobicContact CB-CB 4.46Å; F106-F110 PolarHBondContact O-N 3.24Å
107P97.5Very high98.4Very high37 Ų3716.7 Ų16.724%0.249%0.086CC..THydrogen-bonded Turntrans-62.7-19.1-170.224.7-35.4000115.1K103K103-P107 PolarHBondContact NZ-O 3.06Å; K103-P107 VanDerWaalsContact O-CA 3.28Å; K103-P107 WeakPolarHBondContact O-CA 3.49Å
108I97.1Very high98.4Very high121 Ų12116.7 Ų16.762%0.6219%0.086SC*.THydrogen-bonded Turntrans-100.7-5.117965.1172.9000113.7R78 F106 F111R78-I108 PolarHBondContact NE-O 2.79Å; R78-I108 PolarHBondContact NH2-O 3.03Å; F106-I108 PolarHBondContact O-N 2.82Å; I108-F111 VanDerWaalsContact C-CZ 3.45Å; I108-F111 VanDerWaalsContact O-CE2 3.29Å; I108-F111 WeakPolarHBondContact O-CE2 3.29Å; I108-F111 WeakPolarHBondContact O-CZ 3.22Å
109D98.1Very high98.4Very high38 Ų3816.7 Ų16.720%0.2039%0.086CC..THydrogen-bonded Turntrans-121.5-16.8-177.7-60.1-59.7000112.5P75 R78 Y79 F106P75-D109 HydrophobicContact CB-CB 4.04Å; R78-D109 CarbonylContact C-O 3.43Å; R78-D109 WeakPolarHBondContact CA-O 3.29Å; R78-D109 WeakPolarHBondContact CD-OD1 3.26Å; R78-D109 HydrophobicContact CG-CB 3.91Å; R78-D109 WeakPolarHBondContact CG-OD1 3.37Å; R78-D109 IonicContact NE-OD1 3.98Å; R78-D109 PolarHBondContact NE-OD1 2.9Å; Y79-D109 PolarHBondContact N-O 3.31Å; F106-D109 HydrophobicContact CB-CB 4.09Å; F106-D109 PolarHBondContact O-N 2.86Å
110F98.7Very high98.3Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-128.6109.3-179.3-160.7-84.9000110.2F68 P74 Y79 F81 V99 Y102 K103 F106 I112F68-F110 HydrophobicContact CE1-CE2 4.16Å; F68-F110 AromaticContact CZ-CE2 3.98Å; F68-F110 HydrophobicContact CZ-CE2 3.98Å; F68-F110 HydrophobicContact CZ-CZ 4.2Å; P74-F110 HydrophobicContact CB-CD2 3.91Å; P74-F110 HydrophobicContact CB-CE2 4.48Å; P74-F110 HydrophobicContact CG-CD2 3.59Å; P74-F110 HydrophobicContact CG-CE2 3.67Å; Y79-F110 HydrophobicContact CD2-CD2 4.24Å; Y79-F110 HydrophobicContact CD2-CE2 4.29Å; Y79-F110 HydrophobicContact CG-CD2 4.38Å; Y79-F110 HydrophobicContact CG-CE2 4.26Å; F81-F110 HydrophobicContact CD2-CE1 4.11Å; F81-F110 HydrophobicContact CD2-CE2 4.23Å; F81-F110 AromaticContact CD2-CZ 3.68Å; F81-F110 HydrophobicContact CD2-CZ 3.68Å; F81-F110 HydrophobicContact CE2-CE1 4.24Å; F81-F110 AromaticContact CE2-CE2 3.63Å; F81-F110 HydrophobicContact CE2-CE2 3.63Å; F81-F110 AromaticContact CE2-CZ 3.36Å; F81-F110 HydrophobicContact CE2-CZ 3.36Å; F81-F110 HydrophobicContact CZ-CZ 4.24Å; V99-F110 HydrophobicContact CB-CE1 4.49Å; V99-F110 HydrophobicContact CG1-CE1 4.12Å; V99-F110 WeakPolarHBondContact O-CE1 3.42Å; Y102-F110 HydrophobicContact CD2-CE2 4.16Å; Y102-F110 HydrophobicContact CD2-CZ 4.28Å; Y102-F110 HydrophobicContact CG-CD2 4.22Å; Y102-F110 HydrophobicContact CG-CE2 4.1Å; Y102-F110 HydrophobicContact CG-CZ 4.4Å; K103-F110 HydrophobicContact CB-CD1 4.29Å; K103-F110 WeakPolarHBondContact CD-O 3.27Å; F106-F110 HydrophobicContact CB-CB 4.46Å; F106-F110 PolarHBondContact O-N 3.24Å; F110-I112 HydrophobicContact CD1-CG2 3.83Å; F110-I112 HydrophobicContact CE1-CG2 3.6Å
111F98.9Very high98.2Very high13 Ų1322.8 Ų22.86%0.05713%0.127CC..EExtended strand (participates in β ladder)trans-114.9142.3-174.5-55.5-84.7000110.2I45 L47 Y79 L80 F81 I108I45-F111 HydrophobicContact CD1-CB 3.94Å; I45-F111 HydrophobicContact CD1-CD1 4.3Å; I45-F111 HydrophobicContact CG2-CB 4.39Å; I45-F111 HydrophobicContact CG2-CD1 3.4Å; I45-F111 VanDerWaalsContact CG2-CD1 3.4Å; I45-F111 HydrophobicContact CG2-CE1 3.88Å; I45-F111 HydrophobicContact CG2-CG 4.09Å; L47-F111 HydrophobicContact CB-CE1 4.35Å; L47-F111 HydrophobicContact CB-CE2 4.1Å; L47-F111 HydrophobicContact CB-CZ 3.9Å; L47-F111 HydrophobicContact CD1-CD2 3.38Å; L47-F111 HydrophobicContact CD1-CE2 3.45Å; L47-F111 VanDerWaalsContact CD1-CE2 3.45Å; L47-F111 HydrophobicContact CD1-CG 3.98Å; L47-F111 HydrophobicContact CD1-CZ 4.09Å; L47-F111 HydrophobicContact CG-CE2 4.42Å; Y79-F111 WeakPolarHBondContact O-CD2 3.34Å; Y79-F111 PolarHBondContact O-N 2.88Å; L80-F111 WeakPolarHBondContact CA-O 3.3Å; L80-F111 HydrophobicContact CB-CB 4.45Å; L80-F111 HydrophobicContact CD1-CB 3.61Å; F81-F111 PolarHBondContact N-O 3.03Å; I108-F111 VanDerWaalsContact C-CZ 3.45Å; I108-F111 VanDerWaalsContact O-CE2 3.29Å; I108-F111 WeakPolarHBondContact O-CE2 3.29Å; I108-F111 WeakPolarHBondContact O-CZ 3.22Å
112I98.9Very high98.2Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-135.2130.3-175.269.4177.2000108.6V38 Y85 V99 K103 F110 F151V38-I112 HydrophobicContact CG1-CD1 3.73Å; V38-I112 HydrophobicContact CG1-CG1 3.86Å; Y85-I112 WeakPolarHBondContact OH-CB 3.28Å; V99-I112 HydrophobicContact CG1-CB 4.2Å; V99-I112 HydrophobicContact CG1-CD1 4.11Å; V99-I112 HydrophobicContact CG1-CG2 3.46Å; V99-I112 VanDerWaalsContact CG1-CG2 3.46Å; K103-I112 HydrophobicContact CB-CD1 4.37Å; K103-I112 HydrophobicContact CG-CD1 4.42Å; F110-I112 HydrophobicContact CD1-CG2 3.83Å; F110-I112 HydrophobicContact CE1-CG2 3.6Å; I112-F151 HydrophobicContact CD1-CD2 4.45Å; I112-F151 HydrophobicContact CD1-CE1 4Å; I112-F151 HydrophobicContact CD1-CE2 3.89Å; I112-F151 HydrophobicContact CD1-CZ 3.63Å
113L98.9Very high98.2Very high0 Ų023.3 Ų23.30%013%0.13CC..  trans-103.5165.4171.1-54-176000109.8I45 L80 F81 L82 G83 Y85 P152 A154 C163I45-L113 HydrophobicContact CD1-CD2 3.56Å; I45-L113 HydrophobicContact CG1-CD2 3.78Å; L80-L113 HydrophobicContact CD1-CD1 4.24Å; L80-L113 HydrophobicContact CD1-CD2 4.11Å; L80-L113 HydrophobicContact CD1-CG 3.85Å; F81-L113 WeakPolarHBondContact O-CB 3.5Å; F81-L113 WeakPolarHBondContact O-CG 3.33Å; F81-L113 PolarHBondContact O-N 2.88Å; L82-L113 HydrophobicContact CD2-CD1 3.72Å; G83-L113 WeakPolarHBondContact CA-O 3.49Å; Y85-L113 WeakPolarHBondContact CE2-O 3.25Å; Y85-L113 PolarHBondContact OH-N 2.74Å; Y85-L113 PolarHBondContact OH-O 2.81Å; L113-P152 CarbonylContact C-O 3.55Å; L113-P152 VanDerWaalsContact CA-O 3.29Å; L113-P152 WeakPolarHBondContact CA-O 3.34Å; L113-P152 HydrophobicContact CD2-CB 3.96Å; L113-A154 VanDerWaalsContact CD2-C 3.46Å; L113-A154 WeakPolarHBondContact CD2-O 3.38Å; L113-C163 HydrophobicContact CD1-CB 4.41Å
114R98.8Very high98.2Very high1 Ų128.3 Ų28.30%0.00415%0.149CC..  trans-85.3135.9174.5-160.7177.9-177.9170.44.1110.3E118 F148 F151 P152 I153 H165 F185 L197R114-E118 HydrophobicContact CG-CB 3.76Å; R114-E118 PolarHBondContact NE-O 2.85Å; R114-E118 PolarHBondContact NH2-O 2.81Å; R114-F148 WeakPolarHBondContact CD-O 3.3Å; R114-F148 PolarHBondContact NE-O 2.8Å; R114-F148 VanDerWaalsContact NE-O 3.12Å; R114-F148 PolarHBondContact NH1-O 3.31Å; R114-F151 HydrophobicContact CB-CB 3.69Å; R114-F151 HydrophobicContact CG-CB 3.98Å; R114-P152 WeakPolarHBondContact CB-O 3.19Å; R114-P152 PolarHBondContact N-O 3.34Å; R114-I153 HydrophobicContact CB-CG2 4.11Å; R114-H165 WeakPolarHBondContact O-CB 3.14Å; R114-F185 PolarHBondContact NH1-O 3.4Å; R114-L197 WeakPolarHBondContact O-CD2 3.14Å
115G98.8Very high98.1Very high0 Ų033.3 Ų33.30%018%0.175CC..  trans-99.9179.8164.300000112.3D84 H117 E118 H165D84-G115 WeakPolarHBondContact OD1-CA 3.43Å; G115-H117 VanDerWaalsContact C-N 3.3Å; G115-E118 WeakPolarHBondContact CA-OE2 3.49Å; G115-E118 PolarHBondContact N-OE2 3.45Å; G115-E118 PolarHBondContact O-N 3.16Å; G115-H165 VanDerWaalsContact CA-CG 3.42Å
116N98.5Very high98.1Very high3 Ų335.5 Ų35.52%0.01618%0.18CC..SBendtrans-75.3-23.317766-56000111.9D84 E118 S119 I122 H165 L197 W198 H240D84-N116 PolarHBondContact OD1-N 2.67Å; D84-N116 VanDerWaalsContact OD1-N 3.1Å; D84-N116 PolarHBondContact OD1-OD1 3.16Å; D84-N116 PolarHBondContact OD2-OD1 3.36Å; N116-E118 VanDerWaalsContact C-N 3.27Å; N116-S119 VanDerWaalsContact O-CB 3.28Å; N116-S119 WeakPolarHBondContact O-CB 3.29Å; N116-S119 PolarHBondContact O-OG 3.12Å; N116-I122 WeakPolarHBondContact O-CG1 3.38Å; N116-H165 PolarHBondContact OD1-CD2 2.67Å; N116-H165 PolarHBondContact OD1-NE2 2.71Å; N116-H165 VanDerWaalsContact OD1-NE2 3.08Å; N116-L197 HydrophobicContact CB-CB 4.34Å; N116-W198 HydrophobicContact CB-CD2 3.98Å; N116-W198 VanDerWaalsContact CB-CE2 3.47Å; N116-W198 HydrophobicContact CB-CG 4.4Å; N116-W198 HydrophobicContact CB-CH2 4.35Å; N116-W198 HydrophobicContact CB-CZ2 3.7Å; N116-W198 WeakPolarHBondContact ND2-CH2 3.47Å; N116-W198 WeakPolarHBondContact ND2-CZ2 3.15Å; N116-W198 WeakPolarHBondContact ND2-CZ3 3.32Å; N116-H240 VanDerWaalsContact CG-CE1 3.5Å; N116-H240 PolarHBondContact OD1-CE1 3.49Å; N116-H240 VanDerWaalsContact OD1-CE1 3.25Å; N116-H240 PolarHBondContact OD1-ND1 3.44Å; N116-H240 VanDerWaalsContact OD1-ND1 3.09Å
117H98.6Very high98.1Very high8 Ų834.1 Ų34.14%0.03718%0.181CC..SBendtrans-73.5-17172.5-76.8-99000112.9H58 D84 V86 D87 G115 S119 I122 N123 Y126H58-H117 AromaticContact CE1-CD2 3.6Å; H58-H117 AromaticContact CE1-CE1 3.96Å; H58-H117 AromaticContact CE1-CG 3.72Å; H58-H117 AromaticContact CE1-ND1 3.94Å; H58-H117 AromaticContact CE1-NE2 3.78Å; D84-H117 WeakPolarHBondContact OD1-CB 3.45Å; D84-H117 IonicContact OD1-CD2 2.84Å; D84-H117 IonicContact OD1-CG 3.67Å; D84-H117 PolarHBondContact OD1-N 3.43Å; D84-H117 IonicContact OD2-CD2 3.13Å; D84-H117 PolarHBondContact OD2-CD2 2.93Å; D84-H117 IonicContact OD2-CG 3.88Å; D84-H117 IonicContact OD2-NE2 2.73Å; V86-H117 HydrophobicContact CG2-CB 4.28Å; D87-H117 VanDerWaalsContact CB-ND1 3.33Å; D87-H117 WeakPolarHBondContact CB-ND1 3.4Å; D87-H117 IonicContact OD2-CE1 3.66Å; D87-H117 IonicContact OD2-CG 3.04Å; D87-H117 IonicContact OD2-ND1 3.74Å; D87-H117 PolarHBondContact OD2-ND1 2.89Å; G115-H117 VanDerWaalsContact C-N 3.3Å; H117-S119 PolarHBondContact O-N 3.3Å; H117-I122 HydrophobicContact CB-CG2 4.29Å; H117-I122 VanDerWaalsContact CE1-CG2 3.43Å; H117-I122 WeakPolarHBondContact CE1-CG2 3.45Å; H117-I122 VanDerWaalsContact ND1-CG2 3.33Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.4Å; H117-N123 VanDerWaalsContact O-CB 3.24Å; H117-N123 WeakPolarHBondContact O-CB 3.48Å; H117-N123 PolarHBondContact O-ND2 3.37Å; H117-N123 VanDerWaalsContact O-ND2 3.07Å; H117-Y126 AromaticContact CE1-CD2 3.99Å; H117-Y126 AromaticContact CE1-CG 3.79Å
118E98.7Very high98.1Very high0 Ų032.4 Ų32.40%017%0.17CC..SBendtrans-80.146.9167.4-72.873.2-133.600111.8D84 Y85 V86 R114 G115 N116 F148 F151D84-E118 PolarHBondContact N-OE2 3.32Å; Y85-E118 VanDerWaalsContact CD2-CD 3.49Å; Y85-E118 HydrophobicContact CD2-CG 3.96Å; Y85-E118 WeakPolarHBondContact CD2-OE1 3.38Å; Y85-E118 HydrophobicContact CE2-CG 4.49Å; Y85-E118 PolarHBondContact N-OE1 3.48Å; V86-E118 PolarHBondContact N-OE1 3.28Å; R114-E118 HydrophobicContact CG-CB 3.76Å; R114-E118 PolarHBondContact NE-O 2.85Å; R114-E118 PolarHBondContact NH2-O 2.81Å; G115-E118 WeakPolarHBondContact CA-OE2 3.49Å; G115-E118 PolarHBondContact N-OE2 3.45Å; G115-E118 PolarHBondContact O-N 3.16Å; N116-E118 VanDerWaalsContact C-N 3.27Å; E118-F148 HydrophobicContact CB-CB 3.94Å; E118-F148 HydrophobicContact CB-CD1 3.81Å; E118-F148 HydrophobicContact CB-CD2 4.14Å; E118-F148 HydrophobicContact CB-CE1 4.35Å; E118-F148 HydrophobicContact CB-CG 3.71Å; E118-F148 HydrophobicContact CG-CD1 3.51Å; E118-F148 HydrophobicContact CG-CD2 4.34Å; E118-F148 HydrophobicContact CG-CE1 3.61Å; E118-F148 HydrophobicContact CG-CE2 4.43Å; E118-F148 HydrophobicContact CG-CG 3.91Å; E118-F148 HydrophobicContact CG-CZ 4.1Å; E118-F148 WeakPolarHBondContact O-CB 3.35Å; E118-F151 HydrophobicContact CG-CD2 4.48Å
119S98.2Very high98.2Very high1 Ų128.5 Ų28.51%0.00715%0.147CC..SBendtrans-141.6139179.980.20000112.5N116 H117 S121 I122 N123N116-S119 VanDerWaalsContact O-CB 3.28Å; N116-S119 WeakPolarHBondContact O-CB 3.29Å; N116-S119 PolarHBondContact O-OG 3.12Å; H117-S119 PolarHBondContact O-N 3.3Å; S119-S121 PolarHBondContact O-N 3.27Å; S119-S121 PolarHBondContact OG-OG 2.56Å; S119-I122 PolarHBondContact O-N 3.2Å; S119-I122 VanDerWaalsContact O-N 3.1Å; S119-I122 WeakPolarHBondContact OG-CB 3.42Å; S119-I122 VanDerWaalsContact OG-CG1 3.29Å; S119-I122 WeakPolarHBondContact OG-CG1 3.17Å; S119-N123 PolarHBondContact O-N 2.95Å; S119-N123 PolarHBondContact O-ND2 3.17Å; S119-N123 PolarHBondContact O-OD1 3.42Å
120P97.6Very high98.2Very high46 Ų4631.4 Ų31.430%0.29916%0.163SC..Hα-helixtrans-60.6-28.3179.8-23.731.2000114.3I122 N123 R124 Q145P120-I122 VanDerWaalsContact C-N 3.26Å; P120-I122 PolarHBondContact O-N 3.33Å; P120-N123 WeakPolarHBondContact CA-OD1 3.44Å; P120-R124 WeakPolarHBondContact O-CB 3.49Å; P120-R124 PolarHBondContact O-N 3.19Å; P120-Q145 HydrophobicContact CG-CB 4.19Å; P120-Q145 HydrophobicContact CG-CG 4.05Å
121S95.9Very high98.2Very high81 Ų8131.9 Ų31.957%0.56617%0.165SC*.Hα-helixtrans-70.5-24.6179.447.50000112.8S119S119-S121 PolarHBondContact O-N 3.27Å; S119-S121 PolarHBondContact OG-OG 2.56Å
122I98Very high98.2Very high18 Ų1831.2 Ų31.29%0.09216%0.162CC..Hα-helixtrans-102.1-55.7-178.1-59.8-52.5000110.2N116 H117 S119 P120 R124 I125 Y126 W198N116-I122 WeakPolarHBondContact O-CG1 3.38Å; H117-I122 HydrophobicContact CB-CG2 4.29Å; H117-I122 VanDerWaalsContact CE1-CG2 3.43Å; H117-I122 WeakPolarHBondContact CE1-CG2 3.45Å; H117-I122 VanDerWaalsContact ND1-CG2 3.33Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.4Å; S119-I122 PolarHBondContact O-N 3.2Å; S119-I122 VanDerWaalsContact O-N 3.1Å; S119-I122 WeakPolarHBondContact OG-CB 3.42Å; S119-I122 VanDerWaalsContact OG-CG1 3.29Å; S119-I122 WeakPolarHBondContact OG-CG1 3.17Å; P120-I122 VanDerWaalsContact C-N 3.26Å; P120-I122 PolarHBondContact O-N 3.33Å; I122-R124 PolarHBondContact O-N 3.34Å; I122-I125 WeakPolarHBondContact O-CG1 3.46Å; I122-I125 PolarHBondContact O-N 3.43Å; I122-Y126 HydrophobicContact CB-CD2 4.4Å; I122-Y126 HydrophobicContact CD1-CE2 4.39Å; I122-Y126 HydrophobicContact CG2-CD2 3.48Å; I122-Y126 VanDerWaalsContact CG2-CD2 3.48Å; I122-Y126 HydrophobicContact CG2-CE2 3.95Å; I122-Y126 HydrophobicContact CG2-CG 4.37Å; I122-Y126 WeakPolarHBondContact O-CD2 3.35Å; I122-Y126 PolarHBondContact O-N 2.86Å; I122-W198 HydrophobicContact CD1-CH2 3.51Å; I122-W198 HydrophobicContact CD1-CZ2 3.52Å; I122-W198 HydrophobicContact CG1-CH2 3.96Å; I122-W198 HydrophobicContact CG1-CZ2 3.59Å
123N98.5Very high98.2Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-71.8-3.4-174.669.728.5000115V86 D87 H117 S119 P120 I125 F128 Y129 Y141 Q145V86-N123 HydrophobicContact CG2-CB 4.21Å; D87-N123 WeakPolarHBondContact OD1-CA 3.31Å; D87-N123 WeakPolarHBondContact OD2-CA 3.29Å; D87-N123 VanDerWaalsContact OD2-CB 3.29Å; D87-N123 WeakPolarHBondContact OD2-CB 3.28Å; H117-N123 VanDerWaalsContact O-CB 3.24Å; H117-N123 WeakPolarHBondContact O-CB 3.48Å; H117-N123 PolarHBondContact O-ND2 3.37Å; H117-N123 VanDerWaalsContact O-ND2 3.07Å; S119-N123 PolarHBondContact O-N 2.95Å; S119-N123 PolarHBondContact O-ND2 3.17Å; S119-N123 PolarHBondContact O-OD1 3.42Å; P120-N123 WeakPolarHBondContact CA-OD1 3.44Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-F128 HydrophobicContact CB-CB 3.9Å; N123-F128 HydrophobicContact CB-CD1 4.17Å; N123-F128 HydrophobicContact CB-CG 4.49Å; N123-Y129 WeakPolarHBondContact O-CB 3.3Å; N123-Y129 PolarHBondContact O-N 3.21Å; N123-Y141 WeakPolarHBondContact OD1-CE2 3.4Å; N123-Y141 PolarHBondContact OD1-OH 3.43Å; N123-Y141 VanDerWaalsContact OD1-OH 3.12Å; N123-Q145 PolarHBondContact ND2-NE2 3.08Å; N123-Q145 VanDerWaalsContact ND2-NE2 3.15Å; N123-Q145 PolarHBondContact ND2-OE1 3.1Å; N123-Q145 PolarHBondContact OD1-NE2 3.01Å; N123-Q145 PolarHBondContact OD1-OE1 3.49Å
124R98.2Very high98.2Very high105 Ų10543.5 Ų43.540%0.39621%0.213SC..THydrogen-bonded Turntrans-72.5-25.1166.2-173.754.7172.9-110.44.2113.7P120 I122 Y129P120-R124 WeakPolarHBondContact O-CB 3.49Å; P120-R124 PolarHBondContact O-N 3.19Å; I122-R124 PolarHBondContact O-N 3.34Å; R124-Y129 VanDerWaalsContact CZ-CE2 3.46Å; R124-Y129 VanDerWaalsContact CZ-CZ 3.47Å; R124-Y129 PolarHBondContact NH2-OH 2.63Å
125I97.4Very high98.1Very high118 Ų11846.7 Ų46.761%0.60523%0.225SC*.THydrogen-bonded Turntrans-122.4-13.8-171.459.7168.6000114I122 N123I122-I125 WeakPolarHBondContact O-CG1 3.46Å; I122-I125 PolarHBondContact O-N 3.43Å; N123-I125 VanDerWaalsContact C-N 3.34Å
126Y97.6Very high98.1Very high102 Ų10249 Ų4940%0.423%0.234SC..SBendtrans-103.55.7-176.6-73.9-81000115.1D87 R88 H117 I122D87-Y126 WeakPolarHBondContact CB-O 3.34Å; D87-Y126 VanDerWaalsContact CG-CB 3.49Å; R88-Y126 PolarHBondContact N-O 2.91Å; H117-Y126 AromaticContact CE1-CD2 3.99Å; H117-Y126 AromaticContact CE1-CG 3.79Å; I122-Y126 HydrophobicContact CB-CD2 4.4Å; I122-Y126 HydrophobicContact CD1-CE2 4.39Å; I122-Y126 HydrophobicContact CG2-CD2 3.48Å; I122-Y126 VanDerWaalsContact CG2-CD2 3.48Å; I122-Y126 HydrophobicContact CG2-CE2 3.95Å; I122-Y126 HydrophobicContact CG2-CG 4.37Å; I122-Y126 WeakPolarHBondContact O-CD2 3.35Å; I122-Y126 PolarHBondContact O-N 2.86Å
127G97.1Very high98.1Very high25 Ų2550.1 Ų50.126%0.25824%0.242SC..SBendtrans128.7-26.9163.800000116D87 Y129 D130 E131D87-G127 PolarHBondContact OD1-N 2.86Å; D87-G127 VanDerWaalsContact OD1-N 3.16Å; G127-Y129 PolarHBondContact O-N 2.8Å; G127-D130 PolarHBondContact O-N 3.39Å; G127-E131 WeakPolarHBondContact O-CB 3.45Å; G127-E131 PolarHBondContact O-N 3.42Å
128F98.7Very high98.1Very high0 Ų055.4 Ų55.40%026%0.262CS..Hα-helixtrans-66.8-39.7-174.3-175.9-124.9000113.1V86 D87 S92 I93 I96 N123 E131 C132 Y141 F144 F148V86-F128 HydrophobicContact CB-CB 4.06Å; V86-F128 HydrophobicContact CB-CD1 4.38Å; V86-F128 HydrophobicContact CB-CD2 3.84Å; V86-F128 HydrophobicContact CB-CE2 4.33Å; V86-F128 HydrophobicContact CB-CG 3.84Å; V86-F128 HydrophobicContact CG1-CD1 4.42Å; V86-F128 HydrophobicContact CG1-CD2 3.83Å; V86-F128 HydrophobicContact CG1-CE1 4.41Å; V86-F128 HydrophobicContact CG1-CE2 3.79Å; V86-F128 HydrophobicContact CG1-CG 4.13Å; V86-F128 HydrophobicContact CG1-CZ 4.08Å; V86-F128 HydrophobicContact CG2-CB 4.16Å; V86-F128 HydrophobicContact CG2-CD1 4.28Å; V86-F128 HydrophobicContact CG2-CG 4.1Å; D87-F128 WeakPolarHBondContact OD1-CB 3.37Å; D87-F128 PolarHBondContact OD1-N 3.25Å; S92-F128 VanDerWaalsContact CB-CD2 3.47Å; I93-F128 HydrophobicContact CG1-CE2 3.9Å; I96-F128 HydrophobicContact CG2-CE2 4.5Å; I96-F128 HydrophobicContact CG2-CZ 4.49Å; N123-F128 HydrophobicContact CB-CB 3.9Å; N123-F128 HydrophobicContact CB-CD1 4.17Å; N123-F128 HydrophobicContact CB-CG 4.49Å; F128-E131 PolarHBondContact O-N 2.99Å; F128-C132 WeakPolarHBondContact O-CB 3.1Å; F128-C132 PolarHBondContact O-N 3.1Å; F128-C132 PolarHBondContact O-SG 3.36Å; F128-Y141 HydrophobicContact CD1-CD2 4.22Å; F128-Y141 HydrophobicContact CD1-CE2 4.37Å; F128-Y141 HydrophobicContact CE1-CD2 4.46Å; F128-F144 HydrophobicContact CE1-CB 3.75Å; F128-F144 HydrophobicContact CE1-CD2 4.17Å; F128-F144 HydrophobicContact CE1-CG 4.09Å; F128-F144 HydrophobicContact CZ-CB 3.9Å; F128-F144 HydrophobicContact CZ-CD1 4.33Å; F128-F144 AromaticContact CZ-CD2 3.54Å; F128-F144 HydrophobicContact CZ-CD2 3.54Å; F128-F144 HydrophobicContact CZ-CE2 4.05Å; F128-F144 AromaticContact CZ-CG 3.69Å; F128-F144 HydrophobicContact CZ-CG 3.69Å; F128-F148 HydrophobicContact CD1-CE2 4.17Å; F128-F148 AromaticContact CE1-CE2 3.63Å; F128-F148 HydrophobicContact CE1-CE2 3.63Å; F128-F148 AromaticContact CE1-CZ 3.88Å; F128-F148 HydrophobicContact CE1-CZ 3.88Å; F128-F148 HydrophobicContact CZ-CE2 4.36Å; F128-F148 HydrophobicContact CZ-CZ 4.16Å
129Y98.7Very high98.1Very high40 Ų4057.8 Ų57.816%0.15727%0.274CS..Hα-helixtrans-58.3-49.7173.4173.3-100.4000111.4N123 R124 G127 E131 C132 M133 Y138 Y141N123-Y129 WeakPolarHBondContact O-CB 3.3Å; N123-Y129 PolarHBondContact O-N 3.21Å; R124-Y129 VanDerWaalsContact CZ-CE2 3.46Å; R124-Y129 VanDerWaalsContact CZ-CZ 3.47Å; R124-Y129 PolarHBondContact NH2-OH 2.63Å; G127-Y129 PolarHBondContact O-N 2.8Å; Y129-E131 VanDerWaalsContact C-N 3.31Å; Y129-E131 PolarHBondContact O-N 3.37Å; Y129-C132 PolarHBondContact O-N 2.97Å; Y129-M133 HydrophobicContact CD1-CG 4.21Å; Y129-M133 HydrophobicContact CD2-CG 4.15Å; Y129-M133 HydrophobicContact CE1-CG 3.79Å; Y129-M133 HydrophobicContact CE2-CG 3.71Å; Y129-M133 HydrophobicContact CE2-SD 4.03Å; Y129-M133 HydrophobicContact CG-CG 4.38Å; Y129-M133 WeakPolarHBondContact O-CB 3.33Å; Y129-M133 VanDerWaalsContact O-CG 3.3Å; Y129-M133 WeakPolarHBondContact O-CG 3.45Å; Y129-M133 PolarHBondContact O-N 3.22Å; Y129-Y138 AromaticContact CE2-CD2 4Å; Y129-Y138 HydrophobicContact CE2-CD2 4Å; Y129-Y138 HydrophobicContact CE2-CE2 4.2Å; Y129-Y141 AromaticContact CD2-CD1 3.75Å; Y129-Y141 HydrophobicContact CD2-CD1 3.75Å; Y129-Y141 AromaticContact CD2-CD2 3.79Å; Y129-Y141 HydrophobicContact CD2-CD2 3.79Å; Y129-Y141 AromaticContact CD2-CE1 3.77Å; Y129-Y141 HydrophobicContact CD2-CE1 3.77Å; Y129-Y141 AromaticContact CD2-CE2 3.77Å; Y129-Y141 HydrophobicContact CD2-CE2 3.77Å; Y129-Y141 AromaticContact CD2-CG 3.75Å; Y129-Y141 HydrophobicContact CD2-CG 3.75Å; Y129-Y141 AromaticContact CD2-CZ 3.77Å; Y129-Y141 HydrophobicContact CE2-CD1 4.16Å; Y129-Y141 HydrophobicContact CE2-CE1 4.32Å; Y129-Y141 HydrophobicContact CE2-CG 4.43Å; Y129-Y141 HydrophobicContact CG-CD2 4.39Å; Y129-Y141 HydrophobicContact CG-CE2 4.22Å
130D98.5Very high98.2Very high98 Ų9857.7 Ų57.752%0.52427%0.273SS..Hα-helixtrans-63.7-38.6179.5-68.3-23.9000111.3G127 M133 R134G127-D130 PolarHBondContact O-N 3.39Å; D130-M133 PolarHBondContact O-N 2.93Å; D130-R134 WeakPolarHBondContact O-CB 3.48Å; D130-R134 PolarHBondContact O-N 3.06Å
131E98.5Very high98.2Very high10 Ų1056 Ų565%0.04726%0.261CS..Hα-helixtrans-60.6-49.8174.1-170.7-176.1155.700111.6S92 I93 G127 F128 Y129 M133 R134 R135S92-E131 WeakPolarHBondContact CA-OE2 3.39Å; S92-E131 WeakPolarHBondContact CB-OE2 3.46Å; S92-E131 PolarHBondContact N-OE1 2.83Å; S92-E131 PolarHBondContact N-OE2 2.85Å; S92-E131 PolarHBondContact OG-OE2 3.39Å; I93-E131 HydrophobicContact CD1-CG 3.99Å; I93-E131 HydrophobicContact CG1-CG 4.24Å; I93-E131 WeakPolarHBondContact CG1-OE1 3.03Å; I93-E131 PolarHBondContact N-OE1 3.09Å; I93-E131 VanDerWaalsContact N-OE1 3.14Å; G127-E131 WeakPolarHBondContact O-CB 3.45Å; G127-E131 PolarHBondContact O-N 3.42Å; F128-E131 PolarHBondContact O-N 2.99Å; Y129-E131 VanDerWaalsContact C-N 3.31Å; Y129-E131 PolarHBondContact O-N 3.37Å; E131-M133 PolarHBondContact O-N 3.22Å; E131-R134 PolarHBondContact O-N 3.32Å; E131-R135 HydrophobicContact CG-CG 4.48Å; E131-R135 WeakPolarHBondContact O-CB 3.39Å; E131-R135 WeakPolarHBondContact O-CG 3.29Å; E131-R135 PolarHBondContact O-N 3.04Å; E131-R135 IonicContact OE1-CZ 3.98Å; E131-R135 IonicContact OE1-NH1 3.22Å; E131-R135 PolarHBondContact OE1-NH1 3.36Å
132C98.7Very high98.3Very high0 Ų058.1 Ų58.10%026%0.256CS..Hα-helixtrans-58.1-48.2176.2-71.10000111.7F128 Y129 Y136 S137F128-C132 WeakPolarHBondContact O-CB 3.1Å; F128-C132 PolarHBondContact O-N 3.1Å; F128-C132 PolarHBondContact O-SG 3.36Å; Y129-C132 PolarHBondContact O-N 2.97Å; C132-Y136 CarbonylContact O-C 3.28Å; C132-Y136 VanDerWaalsContact O-C 3.3Å; C132-Y136 WeakPolarHBondContact O-CA 3.18Å; C132-Y136 WeakPolarHBondContact O-CB 3.39Å; C132-Y136 PolarHBondContact O-N 3.31Å; C132-S137 PolarHBondContact O-N 3.1Å; C132-S137 VanDerWaalsContact O-N 3.14Å
133M98.5Very high98.4Very high77 Ų7760.6 Ų60.638%0.37926%0.264SS..Hα-helixtrans-66.8-39.8-178.1-71.6-56.9-55.500112.8Y129 D130 E131 Y138Y129-M133 HydrophobicContact CD1-CG 4.21Å; Y129-M133 HydrophobicContact CD2-CG 4.15Å; Y129-M133 HydrophobicContact CE1-CG 3.79Å; Y129-M133 HydrophobicContact CE2-CG 3.71Å; Y129-M133 HydrophobicContact CE2-SD 4.03Å; Y129-M133 HydrophobicContact CG-CG 4.38Å; Y129-M133 WeakPolarHBondContact O-CB 3.33Å; Y129-M133 VanDerWaalsContact O-CG 3.3Å; Y129-M133 WeakPolarHBondContact O-CG 3.45Å; Y129-M133 PolarHBondContact O-N 3.22Å; D130-M133 PolarHBondContact O-N 2.93Å; E131-M133 PolarHBondContact O-N 3.22Å; M133-Y138 WeakPolarHBondContact SD-CA 3.35Å; M133-Y138 HydrophobicContact SD-CD2 4.14Å; M133-Y138 HydrophobicContact SD-CG 4.42Å; M133-Y138 PolarHBondContact SD-N 3.18Å; M133-Y138 VanDerWaalsContact SD-N 3.42Å
134R98.1Very high98.4Very high181 Ų18160.6 Ų60.668%0.68326%0.264SS*.Hα-helixtrans-71.8-35.7-178.3-177.3-175.762.175.8-4.9112.2D130 E131D130-R134 WeakPolarHBondContact O-CB 3.48Å; D130-R134 PolarHBondContact O-N 3.06Å; E131-R134 PolarHBondContact O-N 3.32Å
135R98.2Very high98.4Very high68 Ų6856.5 Ų56.526%0.25725%0.25SS..Hα-helixtrans-101.5-26-171.4-60.5176.567-175.5-2.7113.8E94 E131E94-R135 VanDerWaalsContact CD-NH1 3.29Å; E94-R135 IonicContact OE1-CZ 3.31Å; E94-R135 VanDerWaalsContact OE1-CZ 3.23Å; E94-R135 IonicContact OE1-NH1 3.81Å; E94-R135 PolarHBondContact OE1-NH1 3.08Å; E94-R135 IonicContact OE1-NH2 3.59Å; E94-R135 PolarHBondContact OE1-NH2 3.35Å; E94-R135 IonicContact OE2-CZ 3.35Å; E94-R135 IonicContact OE2-NH1 3.93Å; E94-R135 PolarHBondContact OE2-NH1 3.15Å; E94-R135 IonicContact OE2-NH2 3.5Å; E131-R135 HydrophobicContact CG-CG 4.48Å; E131-R135 WeakPolarHBondContact O-CB 3.39Å; E131-R135 WeakPolarHBondContact O-CG 3.29Å; E131-R135 PolarHBondContact O-N 3.04Å; E131-R135 IonicContact OE1-CZ 3.98Å; E131-R135 IonicContact OE1-NH1 3.22Å; E131-R135 PolarHBondContact OE1-NH1 3.36Å
136Y98.4Very high98.5Very high47 Ų4754.1 Ų54.118%0.18424%0.241CC..SBendtrans-139.7-109.2-173.2-63.8-78.8000110.5L22 E24 I27 I93 C132 V140L22-Y136 WeakPolarHBondContact O-CE1 3.21Å; L22-Y136 PolarHBondContact O-OH 3.5Å; E24-Y136 HydrophobicContact CG-CD1 3.92Å; I27-Y136 HydrophobicContact CD1-CD1 3.96Å; I27-Y136 HydrophobicContact CD1-CD2 4.12Å; I27-Y136 HydrophobicContact CD1-CE1 3.65Å; I27-Y136 HydrophobicContact CD1-CE2 3.81Å; I27-Y136 HydrophobicContact CD1-CG 4.18Å; I93-Y136 HydrophobicContact CD1-CD2 3.48Å; I93-Y136 VanDerWaalsContact CD1-CD2 3.48Å; I93-Y136 HydrophobicContact CD1-CE2 3.62Å; I93-Y136 HydrophobicContact CG2-CE2 4.1Å; C132-Y136 CarbonylContact O-C 3.28Å; C132-Y136 VanDerWaalsContact O-C 3.3Å; C132-Y136 WeakPolarHBondContact O-CA 3.18Å; C132-Y136 WeakPolarHBondContact O-CB 3.39Å; C132-Y136 PolarHBondContact O-N 3.31Å; Y136-V140 HydrophobicContact CG-CG2 4.34Å
137S98.5Very high98.6Very high27 Ų2749.2 Ų49.219%0.18922%0.222CC..  trans-154.4168.3-17565.60000112.5E24 C132 E139 V140 Y141E24-S137 WeakPolarHBondContact OE1-CB 3.45Å; E24-S137 PolarHBondContact OE1-OG 3.23Å; C132-S137 PolarHBondContact O-N 3.1Å; C132-S137 VanDerWaalsContact O-N 3.14Å; S137-E139 PolarHBondContact O-N 2.96Å; S137-E139 PolarHBondContact OG-N 3.16Å; S137-V140 PolarHBondContact O-N 3.42Å; S137-V140 PolarHBondContact OG-N 3.39Å; S137-Y141 PolarHBondContact O-N 2.65Å
138Y98.6Very high98.6Very high119 Ų11948 Ų4847%0.46721%0.209SC..Hα-helixtrans-59.7-30.7169.4-178.3-112.1000112.5Y129 M133 Y141 R142Y129-Y138 AromaticContact CE2-CD2 4Å; Y129-Y138 HydrophobicContact CE2-CD2 4Å; Y129-Y138 HydrophobicContact CE2-CE2 4.2Å; M133-Y138 WeakPolarHBondContact SD-CA 3.35Å; M133-Y138 HydrophobicContact SD-CD2 4.14Å; M133-Y138 HydrophobicContact SD-CG 4.42Å; M133-Y138 PolarHBondContact SD-N 3.18Å; M133-Y138 VanDerWaalsContact SD-N 3.42Å; Y138-Y141 HydrophobicContact CD2-CD1 4.25Å; Y138-Y141 AromaticContact CE2-CD1 3.99Å; Y138-Y141 HydrophobicContact CE2-CD1 3.99Å; Y138-Y141 HydrophobicContact CE2-CE1 4.45Å; Y138-Y141 PolarHBondContact O-N 2.84Å; Y138-R142 WeakPolarHBondContact O-CB 3.37Å; Y138-R142 PolarHBondContact O-N 3.02Å
139E98.8Very high98.6Very high50 Ų5048.7 Ų48.723%0.23421%0.214CC..Hα-helixtrans-68.4-38.5-180-179.162.5-17600111.7F28 S137 R142 R143F28-E139 HydrophobicContact CE1-CG 4.22Å; F28-E139 HydrophobicContact CZ-CB 4.35Å; F28-E139 HydrophobicContact CZ-CG 3.72Å; S137-E139 PolarHBondContact O-N 2.96Å; S137-E139 PolarHBondContact OG-N 3.16Å; E139-R142 VanDerWaalsContact CD-NH2 3.26Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-R142 IonicContact OE1-CZ 2.65Å; E139-R142 IonicContact OE1-NE 3.81Å; E139-R142 IonicContact OE1-NH2 3.34Å; E139-R142 PolarHBondContact OE1-NH2 2.92Å; E139-R142 IonicContact OE2-CZ 2.74Å; E139-R142 VanDerWaalsContact OE2-CZ 3.22Å; E139-R142 IonicContact OE2-NE 3.8Å; E139-R142 PolarHBondContact OE2-NE 2.96Å; E139-R142 IonicContact OE2-NH2 2.84Å; E139-R142 PolarHBondContact OE2-NH2 2.85Å; E139-R143 WeakPolarHBondContact O-CG 3.15Å; E139-R143 PolarHBondContact O-N 3.1Å; E139-R143 IonicContact OE1-CZ 3.37Å; E139-R143 IonicContact OE1-NE 2.76Å; E139-R143 PolarHBondContact OE1-NE 3.43Å; E139-R143 IonicContact OE1-NH2 3.06Å; E139-R143 PolarHBondContact OE1-NH2 2.97Å
140V98.8Very high98.6Very high0 Ų047.8 Ų47.80%021%0.211CC..Hα-helixtrans-58.2-51.2171.21690000110.9E24 I27 F28 Y136 S137 R142 R143 F144E24-V140 HydrophobicContact CB-CG2 4.39Å; E24-V140 HydrophobicContact CG-CG2 3.88Å; I27-V140 HydrophobicContact CD1-CG1 4.39Å; I27-V140 HydrophobicContact CG2-CG1 4.07Å; F28-V140 HydrophobicContact CE1-CB 4.39Å; F28-V140 HydrophobicContact CE1-CG2 3.59Å; F28-V140 HydrophobicContact CZ-CG2 4.07Å; Y136-V140 HydrophobicContact CG-CG2 4.34Å; S137-V140 PolarHBondContact O-N 3.42Å; S137-V140 PolarHBondContact OG-N 3.39Å; V140-R142 PolarHBondContact O-N 2.89Å; V140-R143 PolarHBondContact O-N 2.98Å; V140-F144 HydrophobicContact CG1-CD2 3.74Å; V140-F144 HydrophobicContact CG1-CE2 3.56Å; V140-F144 VanDerWaalsContact O-CD2 3.27Å; V140-F144 WeakPolarHBondContact O-CD2 3.34Å; V140-F144 PolarHBondContact O-N 2.74Å; V140-F144 VanDerWaalsContact O-N 3.07Å
141Y98.8Very high98.6Very high9 Ų943.1 Ų43.14%0.03519%0.186CC..Hα-helixtrans-56.2-49.7176.5172.3-99.8000111.7N123 F128 Y129 S137 Y138 R143 F144 Q145N123-Y141 WeakPolarHBondContact OD1-CE2 3.4Å; N123-Y141 PolarHBondContact OD1-OH 3.43Å; N123-Y141 VanDerWaalsContact OD1-OH 3.12Å; F128-Y141 HydrophobicContact CD1-CD2 4.22Å; F128-Y141 HydrophobicContact CD1-CE2 4.37Å; F128-Y141 HydrophobicContact CE1-CD2 4.46Å; Y129-Y141 AromaticContact CD2-CD1 3.75Å; Y129-Y141 HydrophobicContact CD2-CD1 3.75Å; Y129-Y141 AromaticContact CD2-CD2 3.79Å; Y129-Y141 HydrophobicContact CD2-CD2 3.79Å; Y129-Y141 AromaticContact CD2-CE1 3.77Å; Y129-Y141 HydrophobicContact CD2-CE1 3.77Å; Y129-Y141 AromaticContact CD2-CE2 3.77Å; Y129-Y141 HydrophobicContact CD2-CE2 3.77Å; Y129-Y141 AromaticContact CD2-CG 3.75Å; Y129-Y141 HydrophobicContact CD2-CG 3.75Å; Y129-Y141 AromaticContact CD2-CZ 3.77Å; Y129-Y141 HydrophobicContact CE2-CD1 4.16Å; Y129-Y141 HydrophobicContact CE2-CE1 4.32Å; Y129-Y141 HydrophobicContact CE2-CG 4.43Å; Y129-Y141 HydrophobicContact CG-CD2 4.39Å; Y129-Y141 HydrophobicContact CG-CE2 4.22Å; S137-Y141 PolarHBondContact O-N 2.65Å; Y138-Y141 HydrophobicContact CD2-CD1 4.25Å; Y138-Y141 AromaticContact CE2-CD1 3.99Å; Y138-Y141 HydrophobicContact CE2-CD1 3.99Å; Y138-Y141 HydrophobicContact CE2-CE1 4.45Å; Y138-Y141 PolarHBondContact O-N 2.84Å; Y141-R143 VanDerWaalsContact C-N 3.31Å; Y141-R143 PolarHBondContact O-N 2.79Å; Y141-F144 PolarHBondContact O-N 3.34Å; Y141-Q145 HydrophobicContact CD1-CG 4.26Å; Y141-Q145 HydrophobicContact CE1-CG 3.82Å; Y141-Q145 HydrophobicContact CE2-CG 4.24Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 3.13Å
142R98.6Very high98.6Very high126 Ų12642.7 Ų42.748%0.47518%0.184SC..Hα-helixtrans-57.8-43-178.4-172-179.173.1115.52.3111.8Y138 E139 V140 Q145 V146Y138-R142 WeakPolarHBondContact O-CB 3.37Å; Y138-R142 PolarHBondContact O-N 3.02Å; E139-R142 VanDerWaalsContact CD-NH2 3.26Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-R142 IonicContact OE1-CZ 2.65Å; E139-R142 IonicContact OE1-NE 3.81Å; E139-R142 IonicContact OE1-NH2 3.34Å; E139-R142 PolarHBondContact OE1-NH2 2.92Å; E139-R142 IonicContact OE2-CZ 2.74Å; E139-R142 VanDerWaalsContact OE2-CZ 3.22Å; E139-R142 IonicContact OE2-NE 3.8Å; E139-R142 PolarHBondContact OE2-NE 2.96Å; E139-R142 IonicContact OE2-NH2 2.84Å; E139-R142 PolarHBondContact OE2-NH2 2.85Å; V140-R142 PolarHBondContact O-N 2.89Å; R142-Q145 WeakPolarHBondContact O-CB 3.39Å; R142-Q145 PolarHBondContact O-N 3.09Å; R142-V146 PolarHBondContact O-N 2.85Å; R142-V146 VanDerWaalsContact O-N 3.15Å
143R98.8Very high98.6Very high70 Ų7042.7 Ų42.726%0.26418%0.184SC..Hα-helixtrans-70.9-34.1179.7-71.8-175.1-174-154.84.6113F28 I31 E139 V140 Y141 Q145 V146 A147F28-R143 VanDerWaalsContact CD1-CD 3.43Å; I31-R143 HydrophobicContact CD1-CB 3.76Å; I31-R143 HydrophobicContact CG2-CB 4.28Å; E139-R143 WeakPolarHBondContact O-CG 3.15Å; E139-R143 PolarHBondContact O-N 3.1Å; E139-R143 IonicContact OE1-CZ 3.37Å; E139-R143 IonicContact OE1-NE 2.76Å; E139-R143 PolarHBondContact OE1-NE 3.43Å; E139-R143 IonicContact OE1-NH2 3.06Å; E139-R143 PolarHBondContact OE1-NH2 2.97Å; V140-R143 PolarHBondContact O-N 2.98Å; Y141-R143 VanDerWaalsContact C-N 3.31Å; Y141-R143 PolarHBondContact O-N 2.79Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-V146 WeakPolarHBondContact O-CB 3.31Å; R143-V146 PolarHBondContact O-N 3.37Å; R143-A147 PolarHBondContact O-N 2.85Å
144F98.9Very high98.7Very high0 Ų039 Ų390%017%0.166CC..Hα-helixtrans-63.6-38.7170-81.4-63000112I27 I31 I96 M100 F128 V140 Y141 V146 A147 F148I27-F144 HydrophobicContact CG2-CE2 3.65Å; I27-F144 HydrophobicContact CG2-CZ 3.63Å; I31-F144 HydrophobicContact CD1-CD1 3.77Å; I31-F144 HydrophobicContact CD1-CD2 4.02Å; I31-F144 HydrophobicContact CD1-CE1 3.83Å; I31-F144 HydrophobicContact CD1-CE2 4.09Å; I31-F144 HydrophobicContact CD1-CG 3.86Å; I31-F144 HydrophobicContact CD1-CZ 4Å; I31-F144 HydrophobicContact CG1-CD1 3.86Å; I31-F144 HydrophobicContact CG1-CE1 3.74Å; I31-F144 HydrophobicContact CG1-CG 4.46Å; I31-F144 HydrophobicContact CG1-CZ 4.26Å; I96-F144 HydrophobicContact CB-CE1 4.39Å; I96-F144 HydrophobicContact CG1-CD1 4.29Å; I96-F144 HydrophobicContact CG1-CE1 4.05Å; I96-F144 HydrophobicContact CG2-CD1 4.1Å; I96-F144 HydrophobicContact CG2-CE1 3.4Å; I96-F144 VanDerWaalsContact CG2-CE1 3.4Å; I96-F144 HydrophobicContact CG2-CE2 4.47Å; I96-F144 HydrophobicContact CG2-CZ 3.63Å; M100-F144 HydrophobicContact CE-CD1 4.38Å; M100-F144 HydrophobicContact CE-CE1 3.71Å; F128-F144 HydrophobicContact CE1-CB 3.75Å; F128-F144 HydrophobicContact CE1-CD2 4.17Å; F128-F144 HydrophobicContact CE1-CG 4.09Å; F128-F144 HydrophobicContact CZ-CB 3.9Å; F128-F144 HydrophobicContact CZ-CD1 4.33Å; F128-F144 AromaticContact CZ-CD2 3.54Å; F128-F144 HydrophobicContact CZ-CD2 3.54Å; F128-F144 HydrophobicContact CZ-CE2 4.05Å; F128-F144 AromaticContact CZ-CG 3.69Å; F128-F144 HydrophobicContact CZ-CG 3.69Å; V140-F144 HydrophobicContact CG1-CD2 3.74Å; V140-F144 HydrophobicContact CG1-CE2 3.56Å; V140-F144 VanDerWaalsContact O-CD2 3.27Å; V140-F144 WeakPolarHBondContact O-CD2 3.34Å; V140-F144 PolarHBondContact O-N 2.74Å; V140-F144 VanDerWaalsContact O-N 3.07Å; Y141-F144 PolarHBondContact O-N 3.34Å; F144-V146 VanDerWaalsContact C-N 3.25Å; F144-V146 PolarHBondContact O-N 2.8Å; F144-A147 WeakPolarHBondContact O-CB 3.49Å; F144-A147 PolarHBondContact O-N 2.91Å; F144-A147 VanDerWaalsContact O-N 3.08Å; F144-F148 HydrophobicContact CB-CE2 4Å; F144-F148 HydrophobicContact CB-CZ 4.14Å; F144-F148 HydrophobicContact CD1-CZ 4.38Å; F144-F148 VanDerWaalsContact O-CD2 3.23Å; F144-F148 WeakPolarHBondContact O-CD2 3.13Å; F144-F148 WeakPolarHBondContact O-CG 3.5Å; F144-F148 PolarHBondContact O-N 3.38Å
145Q98.8Very high98.7Very high20 Ų2030.4 Ų30.49%0.09313%0.133CC..Hα-helixtrans-62.2-35.3174.2-57.2-41.4-51.500112.5P120 N123 Y141 R142 R143 S149P120-Q145 HydrophobicContact CG-CB 4.19Å; P120-Q145 HydrophobicContact CG-CG 4.05Å; N123-Q145 PolarHBondContact ND2-NE2 3.08Å; N123-Q145 VanDerWaalsContact ND2-NE2 3.15Å; N123-Q145 PolarHBondContact ND2-OE1 3.1Å; N123-Q145 PolarHBondContact OD1-NE2 3.01Å; N123-Q145 PolarHBondContact OD1-OE1 3.49Å; Y141-Q145 HydrophobicContact CD1-CG 4.26Å; Y141-Q145 HydrophobicContact CE1-CG 3.82Å; Y141-Q145 HydrophobicContact CE2-CG 4.24Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 3.13Å; R142-Q145 WeakPolarHBondContact O-CB 3.39Å; R142-Q145 PolarHBondContact O-N 3.09Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; Q145-S149 PolarHBondContact O-N 3.46Å
146V98.7Very high98.7Very high67 Ų6727.6 Ų27.641%0.40612%0.123SC..Hα-helixtrans-62-54.9169.7178.40000108.9I35 R142 R143 F144 F148 S149 H150I35-V146 HydrophobicContact CD1-CG1 4.08Å; R142-V146 PolarHBondContact O-N 2.85Å; R142-V146 VanDerWaalsContact O-N 3.15Å; R143-V146 WeakPolarHBondContact O-CB 3.31Å; R143-V146 PolarHBondContact O-N 3.37Å; F144-V146 VanDerWaalsContact C-N 3.25Å; F144-V146 PolarHBondContact O-N 2.8Å; V146-F148 VanDerWaalsContact C-N 3.34Å; V146-F148 PolarHBondContact O-N 2.91Å; V146-S149 WeakPolarHBondContact O-CB 3.38Å; V146-S149 PolarHBondContact O-N 3.14Å; V146-S149 PolarHBondContact O-OG 2.8Å; V146-H150 PolarHBondContact O-CD2 3.3Å; V146-H150 VanDerWaalsContact O-CD2 3.3Å
147A98.8Very high98.8Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-50.5-50.2179.800000113.4I31 I35 M100 R143 F144 S149 H150 F151I31-A147 HydrophobicContact CG2-CB 4.05Å; I35-A147 HydrophobicContact CD1-CB 4.27Å; I35-A147 HydrophobicContact CG1-CB 4.03Å; M100-A147 HydrophobicContact SD-CB 4.41Å; R143-A147 PolarHBondContact O-N 2.85Å; F144-A147 WeakPolarHBondContact O-CB 3.49Å; F144-A147 PolarHBondContact O-N 2.91Å; F144-A147 VanDerWaalsContact O-N 3.08Å; A147-S149 PolarHBondContact O-N 3.1Å; A147-H150 PolarHBondContact O-N 2.87Å; A147-F151 WeakPolarHBondContact O-CD1 3.35Å
148F98.8Very high98.8Very high0 Ų025.8 Ų25.80%012%0.118CC..Hα-helixtrans-59.6-32.3178.8-63.7-29000113.4V86 I96 R114 E118 F128 F144 V146 H150 F151V86-F148 HydrophobicContact CG1-CZ 3.91Å; V86-F148 HydrophobicContact CG2-CZ 4.48Å; I96-F148 HydrophobicContact CD1-CE1 3.72Å; I96-F148 HydrophobicContact CG1-CE1 3.73Å; I96-F148 HydrophobicContact CG1-CZ 4.18Å; R114-F148 WeakPolarHBondContact CD-O 3.3Å; R114-F148 PolarHBondContact NE-O 2.8Å; R114-F148 VanDerWaalsContact NE-O 3.12Å; R114-F148 PolarHBondContact NH1-O 3.31Å; E118-F148 HydrophobicContact CB-CB 3.94Å; E118-F148 HydrophobicContact CB-CD1 3.81Å; E118-F148 HydrophobicContact CB-CD2 4.14Å; E118-F148 HydrophobicContact CB-CE1 4.35Å; E118-F148 HydrophobicContact CB-CG 3.71Å; E118-F148 HydrophobicContact CG-CD1 3.51Å; E118-F148 HydrophobicContact CG-CD2 4.34Å; E118-F148 HydrophobicContact CG-CE1 3.61Å; E118-F148 HydrophobicContact CG-CE2 4.43Å; E118-F148 HydrophobicContact CG-CG 3.91Å; E118-F148 HydrophobicContact CG-CZ 4.1Å; E118-F148 WeakPolarHBondContact O-CB 3.35Å; F128-F148 HydrophobicContact CD1-CE2 4.17Å; F128-F148 AromaticContact CE1-CE2 3.63Å; F128-F148 HydrophobicContact CE1-CE2 3.63Å; F128-F148 AromaticContact CE1-CZ 3.88Å; F128-F148 HydrophobicContact CE1-CZ 3.88Å; F128-F148 HydrophobicContact CZ-CE2 4.36Å; F128-F148 HydrophobicContact CZ-CZ 4.16Å; F144-F148 HydrophobicContact CB-CE2 4Å; F144-F148 HydrophobicContact CB-CZ 4.14Å; F144-F148 HydrophobicContact CD1-CZ 4.38Å; F144-F148 VanDerWaalsContact O-CD2 3.23Å; F144-F148 WeakPolarHBondContact O-CD2 3.13Å; F144-F148 WeakPolarHBondContact O-CG 3.5Å; F144-F148 PolarHBondContact O-N 3.38Å; V146-F148 VanDerWaalsContact C-N 3.34Å; V146-F148 PolarHBondContact O-N 2.91Å; F148-H150 PolarHBondContact O-N 3.24Å; F148-F151 HydrophobicContact CD1-CD2 4.27Å; F148-F151 AromaticContact CD1-CE2 3.87Å; F148-F151 HydrophobicContact CD1-CE2 3.87Å; F148-F151 HydrophobicContact CD1-CZ 4.04Å; F148-F151 HydrophobicContact CE1-CE2 4.24Å; F148-F151 HydrophobicContact CE1-CZ 4.39Å; F148-F151 PolarHBondContact O-N 3.01Å; F148-F151 VanDerWaalsContact O-N 3.15Å
149S98.6Very high98.7Very high14 Ų1421.9 Ų21.910%0.09811%0.114CC..Hα-helixtrans-68.7-18.617969.60000113.4Q145 V146 A147 P184 F185Q145-S149 PolarHBondContact O-N 3.46Å; V146-S149 WeakPolarHBondContact O-CB 3.38Å; V146-S149 PolarHBondContact O-N 3.14Å; V146-S149 PolarHBondContact O-OG 2.8Å; A147-S149 PolarHBondContact O-N 3.1Å; S149-P184 VanDerWaalsContact C-CB 3.5Å; S149-P184 CarbonylContact O-C 3.57Å; S149-P184 WeakPolarHBondContact O-CA 3.06Å; S149-P184 WeakPolarHBondContact O-CB 3.29Å; S149-P184 WeakPolarHBondContact OG-CB 3.28Å; S149-F185 WeakPolarHBondContact CB-O 3.25Å; S149-F185 PolarHBondContact O-N 3.22Å
150H98.7Very high98.7Very high21 Ų2122.7 Ų22.710%0.09711%0.114CC..THydrogen-bonded Turntrans-92.4-4.2173.4-68.6-105.7000114I35 V38 E39 V146 A147 F148I35-H150 HydrophobicContact CG2-CB 4.49Å; V38-H150 HydrophobicContact CG2-CB 4.05Å; E39-H150 HydrophobicContact CG-CB 4.47Å; E39-H150 IonicContact OE1-CE1 3.57Å; E39-H150 PolarHBondContact OE1-CE1 3.03Å; E39-H150 IonicContact OE1-ND1 3.43Å; E39-H150 PolarHBondContact OE1-ND1 2.87Å; V146-H150 PolarHBondContact O-CD2 3.3Å; V146-H150 VanDerWaalsContact O-CD2 3.3Å; A147-H150 PolarHBondContact O-N 2.87Å; F148-H150 PolarHBondContact O-N 3.24Å
151F98.8Very high98.7Very high0 Ų022.9 Ų22.90%012%0.115CC..SBendtrans-70136.7-176.3-79.216000111.3V38 Y85 I96 M100 I112 R114 E118 A147 F148V38-F151 HydrophobicContact CG1-CD1 4.3Å; V38-F151 HydrophobicContact CG1-CE1 4.29Å; V38-F151 HydrophobicContact CG2-CD1 4.12Å; V38-F151 HydrophobicContact CG2-CE1 4.45Å; Y85-F151 HydrophobicContact CD2-CE2 4.26Å; Y85-F151 HydrophobicContact CE2-CD2 4.26Å; Y85-F151 AromaticContact CE2-CE2 3.94Å; Y85-F151 HydrophobicContact CE2-CE2 3.94Å; I96-F151 HydrophobicContact CD1-CE2 3.94Å; I96-F151 HydrophobicContact CD1-CZ 3.95Å; M100-F151 HydrophobicContact CG-CZ 4.28Å; M100-F151 HydrophobicContact SD-CE1 4.49Å; M100-F151 HydrophobicContact SD-CZ 4.29Å; I112-F151 HydrophobicContact CD1-CD2 4.45Å; I112-F151 HydrophobicContact CD1-CE1 4Å; I112-F151 HydrophobicContact CD1-CE2 3.89Å; I112-F151 HydrophobicContact CD1-CZ 3.63Å; R114-F151 HydrophobicContact CB-CB 3.69Å; R114-F151 HydrophobicContact CG-CB 3.98Å; E118-F151 HydrophobicContact CG-CD2 4.48Å; A147-F151 WeakPolarHBondContact O-CD1 3.35Å; F148-F151 HydrophobicContact CD1-CD2 4.27Å; F148-F151 AromaticContact CD1-CE2 3.87Å; F148-F151 HydrophobicContact CD1-CE2 3.87Å; F148-F151 HydrophobicContact CD1-CZ 4.04Å; F148-F151 HydrophobicContact CE1-CE2 4.24Å; F148-F151 HydrophobicContact CE1-CZ 4.39Å; F148-F151 PolarHBondContact O-N 3.01Å; F148-F151 VanDerWaalsContact O-N 3.15Å
152P98.8Very high98.7Very high0 Ų022.4 Ų22.40%011%0.114CC..  trans-57.4150.4170.2-21.733.5000110.6D41 G42 I45 L113 R114D41-P152 HydrophobicContact CB-CG 3.93Å; G42-P152 VanDerWaalsContact O-CB 3.29Å; G42-P152 WeakPolarHBondContact O-CB 3.48Å; G42-P152 VanDerWaalsContact O-CG 3.25Å; G42-P152 WeakPolarHBondContact O-CG 3.09Å; I45-P152 HydrophobicContact CD1-CB 3.85Å; I45-P152 HydrophobicContact CD1-CG 3.8Å; I45-P152 HydrophobicContact CG1-CB 3.55Å; I45-P152 HydrophobicContact CG1-CG 3.82Å; L113-P152 CarbonylContact C-O 3.55Å; L113-P152 VanDerWaalsContact CA-O 3.29Å; L113-P152 WeakPolarHBondContact CA-O 3.34Å; L113-P152 HydrophobicContact CD2-CB 3.96Å; R114-P152 WeakPolarHBondContact CB-O 3.19Å; R114-P152 PolarHBondContact N-O 3.34Å
153I98.7Very high98.7Very high0 Ų016.4 Ų16.40%09%0.091CC..  trans-110.6-10.5-176.464.2168.1000114.2A43 R114 I178 M181 F185 K193 L196 L197A43-I153 PolarHBondContact O-N 3.03Å; R114-I153 HydrophobicContact CB-CG2 4.11Å; I153-I178 HydrophobicContact CD1-CG2 4.33Å; I153-I178 HydrophobicContact CG1-CG2 4.01Å; I153-M181 HydrophobicContact CD1-CE 3.96Å; I153-M181 HydrophobicContact CD1-SD 3.42Å; I153-M181 WeakPolarHBondContact CD1-SD 3.36Å; I153-M181 HydrophobicContact CG1-SD 4.37Å; I153-F185 HydrophobicContact CD1-CZ 4.12Å; I153-F185 HydrophobicContact CG2-CE1 4.14Å; I153-F185 HydrophobicContact CG2-CE2 4.42Å; I153-F185 HydrophobicContact CG2-CZ 3.48Å; I153-F185 VanDerWaalsContact CG2-CZ 3.48Å; I153-K193 HydrophobicContact CD1-CG 4.4Å; I153-L196 HydrophobicContact CD1-CD1 3.58Å; I153-L196 HydrophobicContact CG1-CD1 4.28Å; I153-L197 HydrophobicContact CB-CD2 4.4Å; I153-L197 HydrophobicContact CG2-CD2 4.49Å
154A98.9Very high98.7Very high0 Ų013.1 Ų13.10%08%0.079CC..EExtended strand (participates in β ladder)trans-149.6159.7175.900000111.7A43 L44 I45 L113 F162 C163 I178A43-A154 PolarHBondContact O-N 3.3Å; L44-A154 WeakPolarHBondContact CA-O 3.43Å; L44-A154 HydrophobicContact CD1-CB 3.88Å; I45-A154 PolarHBondContact N-O 3.34Å; L113-A154 VanDerWaalsContact CD2-C 3.46Å; L113-A154 WeakPolarHBondContact CD2-O 3.38Å; A154-F162 HydrophobicContact CB-CE2 3.66Å; A154-F162 HydrophobicContact CB-CZ 4.33Å; A154-C163 CarbonylContact C-O 3.45Å; A154-C163 WeakPolarHBondContact CA-O 3.29Å; A154-C163 WeakPolarHBondContact CB-O 3.45Å; A154-I178 HydrophobicContact CB-CD1 4.04Å; A154-I178 HydrophobicContact CB-CG2 4.19Å
155G98.8Very high98.7Very high0 Ų013.1 Ų13.10%08%0.079CC..EExtended strand (participates in β ladder)trans-128.5152.2171.800000111.4I45 C163I45-G155 CarbonylContact O-C 3.17Å; I45-G155 WeakPolarHBondContact O-CA 3.32Å; G155-C163 PolarHBondContact N-O 3.2Å; G155-C163 PolarHBondContact O-N 2.91Å
156L98.9Very high98.7Very high9 Ų912.1 Ų12.15%0.0477%0.074CC..EExtended strand (participates in β ladder)trans-128.1103.1173.6-176.163.1000108.6L44 I45 E46 L47 L161 F175 I233L44-L156 HydrophobicContact CD1-CB 4.3Å; I45-L156 PolarHBondContact O-N 3.33Å; E46-L156 HydrophobicContact CG-CB 4.47Å; L47-L156 PolarHBondContact N-O 2.95Å; L156-L161 WeakPolarHBondContact CA-O 3.47Å; L156-F175 HydrophobicContact CD1-CE1 4.42Å; L156-F175 HydrophobicContact CD1-CE2 4.04Å; L156-F175 HydrophobicContact CD1-CZ 3.9Å; L156-F175 HydrophobicContact CD2-CD2 3.99Å; L156-F175 HydrophobicContact CD2-CE2 4.09Å; L156-F175 HydrophobicContact CD2-CG 4.38Å; L156-I233 HydrophobicContact CD1-CG2 4.12Å
157V98.8Very high98.7Very high0 Ų09 Ų90%06%0.055CC..EExtended strand (participates in β ladder)trans-86.3119.8-178.1-179.10000109.5L47 A49 V51 I53 L80 G159 R160 L161L47-V157 HydrophobicContact CD1-CG2 4.42Å; L47-V157 HydrophobicContact CD2-CG2 3.79Å; L47-V157 HydrophobicContact CG-CG2 4.1Å; L47-V157 CarbonylContact O-C 3.15Å; L47-V157 VanDerWaalsContact O-CA 3.29Å; L47-V157 WeakPolarHBondContact O-CA 3.2Å; A49-V157 HydrophobicContact CB-CG1 4.26Å; V51-V157 HydrophobicContact CG1-CB 4.46Å; V51-V157 HydrophobicContact CG1-CG1 3.61Å; V51-V157 HydrophobicContact CG1-CG2 3.98Å; I53-V157 HydrophobicContact CD1-CG2 4.31Å; L80-V157 HydrophobicContact CD2-CG2 4.03Å; V157-G159 PolarHBondContact O-N 3.47Å; V157-R160 PolarHBondContact O-N 3.38Å; V157-L161 HydrophobicContact CB-CB 4.16Å; V157-L161 PolarHBondContact N-O 3.42Å; V157-L161 PolarHBondContact O-N 3.49Å
158S98.5Very high98.7Very high36 Ų369 Ų925%0.2526%0.055SC..THydrogen-bonded Turntrans49.330.5-178.5-69.70000113.8L47 D48 A49 R160L47-S158 PolarHBondContact O-N 3.29Å; D48-S158 WeakPolarHBondContact CA-OG 3.33Å; A49-S158 PolarHBondContact N-OG 3.42Å; S158-R160 WeakPolarHBondContact O-CG 3.43Å; S158-R160 PolarHBondContact O-N 3.45Å; S158-R160 VanDerWaalsContact O-N 3.11Å
159G98.3Very high98.7Very high37 Ų379 Ų938%0.3816%0.055SC..THydrogen-bonded Turntrans68.52.8-176.100000115V157V157-G159 PolarHBondContact O-N 3.47Å
160R98.5Very high98.7Very high67 Ų6710.8 Ų10.825%0.2537%0.066SC..THydrogen-bonded Turntrans-123.4-24.5-167.6-64.1-49-68.5-178.6-3.2115.1V157 S158 D232 I233 D234 M235 L281V157-R160 PolarHBondContact O-N 3.38Å; S158-R160 WeakPolarHBondContact O-CG 3.43Å; S158-R160 PolarHBondContact O-N 3.45Å; S158-R160 VanDerWaalsContact O-N 3.11Å; R160-D232 IonicContact CZ-OD1 2.6Å; R160-D232 PolarHBondContact NH1-O 3.11Å; R160-D232 IonicContact NH1-OD1 3.53Å; R160-D232 PolarHBondContact NH1-OD1 2.87Å; R160-D232 IonicContact NH1-OD2 2.99Å; R160-D232 PolarHBondContact NH1-OD2 3.05Å; R160-D232 IonicContact NH2-OD1 2.73Å; R160-I233 VanDerWaalsContact O-CB 3.31Å; R160-I233 WeakPolarHBondContact O-CB 3.26Å; R160-D234 WeakPolarHBondContact CB-OD2 3.32Å; R160-D234 IonicContact CZ-OD1 3.23Å; R160-D234 IonicContact CZ-OD2 3.99Å; R160-D234 IonicContact NE-OD1 2.62Å; R160-D234 IonicContact NE-OD2 3.79Å; R160-D234 PolarHBondContact NE-OD2 3.08Å; R160-D234 VanDerWaalsContact NH2-CG 3.35Å; R160-D234 IonicContact NH2-OD1 3.91Å; R160-D234 PolarHBondContact NH2-OD1 2.65Å; R160-D234 IonicContact NH2-OD2 2.9Å; R160-D234 PolarHBondContact NH2-OD2 3.39Å; R160-D234 PolarHBondContact O-N 3.43Å; R160-M235 PolarHBondContact O-N 3.04Å; R160-L281 HydrophobicContact CB-CD1 3.77Å; R160-L281 HydrophobicContact CG-CD1 3.61Å
161L98.8Very high98.7Very high4 Ų414.4 Ų14.42%0.0218%0.083CC..EExtended strand (participates in β ladder)trans-116.8115.5177-69.966.6000109.8L156 V157 M235 V237 V277 L281L156-L161 WeakPolarHBondContact CA-O 3.47Å; V157-L161 HydrophobicContact CB-CB 4.16Å; V157-L161 PolarHBondContact N-O 3.42Å; V157-L161 PolarHBondContact O-N 3.49Å; L161-M235 WeakPolarHBondContact CA-O 3.31Å; L161-M235 HydrophobicContact CG-CB 4.36Å; L161-V237 HydrophobicContact CB-CG2 4.32Å; L161-V237 HydrophobicContact CD2-CG2 4.08Å; L161-V277 HydrophobicContact CD2-CG1 4.14Å; L161-V277 HydrophobicContact CD2-CG2 3.65Å; L161-L281 HydrophobicContact CD1-CD2 4.46Å
162F98.9Very high98.7Very high0 Ų014.4 Ų14.40%08%0.083CC..EExtended strand (participates in β ladder)trans-90.8123.6178.2-179.1-144.5000110.4A154 M164 L168 L172 F175 I178 L196 I233 M235 V236 V237A154-F162 HydrophobicContact CB-CE2 3.66Å; A154-F162 HydrophobicContact CB-CZ 4.33Å; F162-M164 HydrophobicContact CD1-CE 3.38Å; F162-M164 HydrophobicContact CD2-CE 4.4Å; F162-M164 HydrophobicContact CE1-CE 2.98Å; F162-M164 HydrophobicContact CE2-CE 4.1Å; F162-M164 HydrophobicContact CG-CE 4.08Å; F162-M164 HydrophobicContact CZ-CE 3.39Å; F162-L168 HydrophobicContact CD1-CD2 4.29Å; F162-L168 HydrophobicContact CE1-CD2 4.2Å; F162-L172 HydrophobicContact CD1-CD2 4.42Å; F162-L172 HydrophobicContact CE1-CD2 3.36Å; F162-L172 HydrophobicContact CZ-CD2 3.72Å; F162-F175 HydrophobicContact CB-CE1 4.18Å; F162-F175 HydrophobicContact CB-CZ 4.16Å; F162-F175 AromaticContact CD1-CE1 3.95Å; F162-F175 HydrophobicContact CD1-CE1 3.95Å; F162-F175 HydrophobicContact CD1-CZ 4.49Å; F162-F175 HydrophobicContact CD2-CD1 4.21Å; F162-F175 AromaticContact CD2-CE1 3.43Å; F162-F175 HydrophobicContact CD2-CE1 3.43Å; F162-F175 VanDerWaalsContact CD2-CE1 3.43Å; F162-F175 HydrophobicContact CD2-CZ 4.23Å; F162-F175 HydrophobicContact CE1-CE1 4.14Å; F162-F175 HydrophobicContact CE2-CD1 4.07Å; F162-F175 AromaticContact CE2-CE1 3.63Å; F162-F175 HydrophobicContact CE2-CE1 3.63Å; F162-F175 AromaticContact CG-CE1 3.6Å; F162-F175 HydrophobicContact CG-CE1 3.6Å; F162-F175 HydrophobicContact CG-CZ 4.08Å; F162-F175 HydrophobicContact CZ-CD1 4.48Å; F162-F175 HydrophobicContact CZ-CE1 4.01Å; F162-I178 HydrophobicContact CE2-CD1 3.81Å; F162-I178 HydrophobicContact CZ-CD1 3.61Å; F162-L196 HydrophobicContact CE1-CD2 4.39Å; F162-L196 HydrophobicContact CZ-CD2 3.92Å; F162-I233 HydrophobicContact CB-CD1 3.44Å; F162-I233 VanDerWaalsContact CB-CD1 3.44Å; F162-I233 HydrophobicContact CD1-CD1 4.32Å; F162-I233 HydrophobicContact CG-CD1 4.34Å; F162-M235 PolarHBondContact N-O 3.33Å; F162-V236 CarbonylContact O-C 3.18Å; F162-V236 VanDerWaalsContact O-CA 3.28Å; F162-V236 WeakPolarHBondContact O-CA 3.49Å; F162-V237 PolarHBondContact O-N 2.98Å
163C98.9Very high98.6Very high0 Ų020.2 Ų20.20%011%0.11CC..EExtended strand (participates in β ladder)trans-118.9134.4-170-56.60000110.9L80 L82 L113 A154 G155 V237L80-C163 HydrophobicContact CD2-CB 3.8Å; L82-C163 HydrophobicContact CD2-CB 3.8Å; L113-C163 HydrophobicContact CD1-CB 4.41Å; A154-C163 CarbonylContact C-O 3.45Å; A154-C163 WeakPolarHBondContact CA-O 3.29Å; A154-C163 WeakPolarHBondContact CB-O 3.45Å; G155-C163 PolarHBondContact N-O 3.2Å; G155-C163 PolarHBondContact O-N 2.91Å; C163-V237 VanDerWaalsContact CA-O 3.25Å; C163-V237 WeakPolarHBondContact CA-O 3.16Å
164M98.9Very high98.6Very high0 Ų022.2 Ų22.20%012%0.124CC..EExtended strand (participates in β ladder)trans-153.6173.9170.971.8-76.1-74.300110.7F162 L168 L196 V236 V237 R238F162-M164 HydrophobicContact CD1-CE 3.38Å; F162-M164 HydrophobicContact CD2-CE 4.4Å; F162-M164 HydrophobicContact CE1-CE 2.98Å; F162-M164 HydrophobicContact CE2-CE 4.1Å; F162-M164 HydrophobicContact CG-CE 4.08Å; F162-M164 HydrophobicContact CZ-CE 3.39Å; M164-L168 HydrophobicContact CE-CD2 3.98Å; M164-L196 HydrophobicContact CB-CD2 4.48Å; M164-L196 HydrophobicContact CE-CD2 3.84Å; M164-L196 HydrophobicContact CG-CD2 4.46Å; M164-L196 WeakPolarHBondContact CG-O 3.28Å; M164-V236 HydrophobicContact CE-CG1 4.25Å; M164-V236 HydrophobicContact SD-CG1 3.72Å; M164-V237 PolarHBondContact N-O 3.34Å; M164-R238 WeakPolarHBondContact O-CA 3.45Å; M164-R238 HydrophobicContact SD-CB 4.1Å
165H98.9Very high98.6Very high0 Ų023.2 Ų23.20%013%0.129CC..SBendtrans-74.1-60.1171.9-172.363.6000112D56 L82 D84 R114 G115 N116 L197 R238 A239 H240D56-H165 IonicContact OD1-CE1 2.77Å; L82-H165 VanDerWaalsContact O-CA 3.29Å; L82-H165 WeakPolarHBondContact O-CA 3.42Å; L82-H165 WeakPolarHBondContact O-CB 3.48Å; L82-H165 VanDerWaalsContact O-CG 3.31Å; L82-H165 PolarHBondContact O-ND1 2.98Å; D84-H165 VanDerWaalsContact CB-CE1 3.46Å; D84-H165 WeakPolarHBondContact CB-CE1 3.4Å; D84-H165 IonicContact OD1-CD2 3.48Å; D84-H165 IonicContact OD1-CE1 3.14Å; D84-H165 PolarHBondContact OD1-CE1 3.01Å; D84-H165 IonicContact OD1-NE2 3.36Å; D84-H165 PolarHBondContact OD1-NE2 3.16Å; D84-H165 IonicContact OD2-CE1 2.73Å; D84-H165 PolarHBondContact OD2-CE1 2.89Å; D84-H165 VanDerWaalsContact OD2-CE1 3.31Å; D84-H165 IonicContact OD2-NE2 2.75Å; D84-H165 PolarHBondContact OD2-NE2 2.98Å; D84-H165 VanDerWaalsContact OD2-NE2 3.15Å; R114-H165 WeakPolarHBondContact O-CB 3.14Å; G115-H165 VanDerWaalsContact CA-CG 3.42Å; N116-H165 PolarHBondContact OD1-CD2 2.67Å; N116-H165 PolarHBondContact OD1-NE2 2.71Å; N116-H165 VanDerWaalsContact OD1-NE2 3.08Å; H165-L197 HydrophobicContact CB-CD2 4.11Å; H165-L197 PolarHBondContact CD2-O 3.45Å; H165-R238 PolarHBondContact O-NE 2.97Å; H165-R238 PolarHBondContact O-NH2 2.9Å; H165-A239 CarbonylContact O-C 3.55Å; H165-A239 PolarHBondContact O-N 3.44Å; H165-H240 AromaticContact CD2-CG 3.96Å; H165-H240 AromaticContact CD2-ND1 3.54Å; H165-H240 VanDerWaalsContact NE2-CB 3.35Å; H165-H240 WeakPolarHBondContact NE2-CB 3.33Å; H165-H240 AromaticContact NE2-CG 3.49Å; H165-H240 AromaticContact NE2-ND1 2.95Å; H165-H240 PolarHBondContact NE2-ND1 2.89Å
166G98.7Very high98.6Very high0 Ų027 Ų270%015%0.149CC..SBendtrans-72.1-125.3-179.500000111.4L196 A199 R238G166-L196 WeakPolarHBondContact CA-O 3.28Å; G166-L196 PolarHBondContact N-O 2.74Å; G166-A199 CarbonylContact C-O 3.5Å; G166-A199 VanDerWaalsContact C-O 3.28Å; G166-R238 WeakPolarHBondContact O-CB 3.46Å; G166-R238 PolarHBondContact O-NE 3.44Å; G166-R238 PolarHBondContact O-NH2 3.21Å
167G98.4Very high98.5Very high0 Ų029.9 Ų29.90%016%0.162CC..  trans-150.5-151.2-179.400000112.1D195 L196 A199G167-D195 PolarHBondContact N-O 2.84Å; G167-L196 WeakPolarHBondContact O-CA 3.39Å; G167-A199 PolarHBondContact N-O 3.19Å
168L98.6Very high98.5Very high0 Ų029.9 Ų29.90%016%0.162CC..  trans-79.5152.7-175.5-58.4179.2000111.3F162 M164 A199 F208 F219 V223 V224 M227 V236F162-L168 HydrophobicContact CD1-CD2 4.29Å; F162-L168 HydrophobicContact CE1-CD2 4.2Å; M164-L168 HydrophobicContact CE-CD2 3.98Å; L168-A199 WeakPolarHBondContact O-CB 3.29Å; L168-F208 HydrophobicContact CB-CE1 4.31Å; L168-F208 HydrophobicContact CB-CZ 4.3Å; L168-F219 HydrophobicContact CB-CD1 4.2Å; L168-F219 HydrophobicContact CB-CE1 4.14Å; L168-F219 HydrophobicContact CB-CE2 4.47Å; L168-F219 HydrophobicContact CB-CG 4.41Å; L168-F219 HydrophobicContact CB-CZ 4.27Å; L168-F219 HydrophobicContact CD1-CD2 4.28Å; L168-F219 HydrophobicContact CD1-CE2 4.09Å; L168-F219 HydrophobicContact CG-CE1 4.5Å; L168-F219 HydrophobicContact CG-CE2 4.19Å; L168-F219 HydrophobicContact CG-CZ 4.14Å; L168-F219 VanDerWaalsContact N-CE1 3.29Å; L168-V223 HydrophobicContact CB-CG1 4.44Å; L168-V223 HydrophobicContact CD1-CG1 4.08Å; L168-V224 HydrophobicContact CD1-CB 4.32Å; L168-V224 HydrophobicContact CD1-CG2 3.83Å; L168-M227 HydrophobicContact CB-CE 4.16Å; L168-M227 HydrophobicContact CB-SD 3.78Å; L168-M227 HydrophobicContact CD1-CB 4.19Å; L168-M227 HydrophobicContact CD1-CG 4.2Å; L168-M227 HydrophobicContact CD1-SD 3.73Å; L168-M227 HydrophobicContact CD2-SD 3.76Å; L168-M227 HydrophobicContact CG-SD 3.95Å; L168-V236 HydrophobicContact CD2-CG1 4.26Å; L168-V236 HydrophobicContact CD2-CG2 4.02Å
169S98.6Very high98.5Very high0 Ų032.5 Ų32.50%017%0.167CC..  trans-120138.5178.9179.50000111.3E171 L172 L192 D195 F208 M227S169-E171 PolarHBondContact O-N 3.07Å; S169-E171 VanDerWaalsContact O-N 3.13Å; S169-E171 PolarHBondContact OG-N 2.88Å; S169-L172 WeakPolarHBondContact O-CB 3.17Å; S169-L172 PolarHBondContact O-N 2.94Å; S169-L192 VanDerWaalsContact CB-CD1 3.49Å; S169-D195 VanDerWaalsContact CB-CB 3.48Å; S169-D195 WeakPolarHBondContact CB-OD2 3.33Å; S169-D195 PolarHBondContact OG-OD2 3.04Å; S169-F208 VanDerWaalsContact C-CZ 3.42Å; S169-M227 WeakPolarHBondContact O-CE 3.35Å
170P98.1Very high98.5Very high52 Ų5236.5 Ų36.534%0.33818%0.179SC..THydrogen-bonded Turntrans-58.9-23.4171.725.8-35.2000113.1L172 H173 F208P170-L172 VanDerWaalsContact C-N 3.34Å; P170-H173 PolarHBondContact O-CE1 3.37Å; P170-H173 VanDerWaalsContact O-CE1 3.31Å; P170-F208 HydrophobicContact CB-CD1 4.47Å; P170-F208 HydrophobicContact CB-CD2 3.75Å; P170-F208 HydrophobicContact CB-CE2 3.91Å; P170-F208 HydrophobicContact CB-CG 4.03Å; P170-F208 HydrophobicContact CB-CZ 4.33Å; P170-F208 HydrophobicContact CG-CD1 4.48Å; P170-F208 HydrophobicContact CG-CG 4.39Å
171E98.3Very high98.5Very high97 Ų9734.6 Ų34.645%0.45317%0.173SC..THydrogen-bonded Turntrans-84.1-6.1179-62.3-179.9-17300113.2S169 H173 Q177 G191 L192S169-E171 PolarHBondContact O-N 3.07Å; S169-E171 VanDerWaalsContact O-N 3.13Å; S169-E171 PolarHBondContact OG-N 2.88Å; E171-H173 PolarHBondContact O-CD2 3.17Å; E171-H173 VanDerWaalsContact O-CD2 3.32Å; E171-H173 PolarHBondContact O-N 3.01Å; E171-Q177 PolarHBondContact O-NE2 2.8Å; E171-Q177 PolarHBondContact O-OE1 3.12Å; E171-G191 WeakPolarHBondContact OE1-CA 3.29Å; E171-L192 HydrophobicContact CB-CB 4.13Å; E171-L192 PolarHBondContact OE2-N 3.01Å
172L98.5Very high98.4Very high0 Ų042.4 Ų42.40%021%0.21CC..  trans-84103.7-178.5-175.464.3000111.9F162 S169 P170 I178 L192 M227 R230 L231F162-L172 HydrophobicContact CD1-CD2 4.42Å; F162-L172 HydrophobicContact CE1-CD2 3.36Å; F162-L172 HydrophobicContact CZ-CD2 3.72Å; S169-L172 WeakPolarHBondContact O-CB 3.17Å; S169-L172 PolarHBondContact O-N 2.94Å; P170-L172 VanDerWaalsContact C-N 3.34Å; L172-I178 HydrophobicContact CD1-CD1 3.98Å; L172-I178 HydrophobicContact CD1-CG1 4.14Å; L172-L192 HydrophobicContact CB-CD1 3.85Å; L172-L192 HydrophobicContact CD1-CD1 4.18Å; L172-M227 HydrophobicContact CB-CE 4.44Å; L172-R230 PolarHBondContact O-NH1 3.35Å; L172-R230 PolarHBondContact O-NH2 2.94Å; L172-L231 HydrophobicContact CD2-CD1 3.97Å; L172-L231 HydrophobicContact CG-CD1 4.29Å
173H97.6Very high98.3Very high122 Ų12244.5 Ų44.557%0.56522%0.221SC*.  trans-109.2-32.8179.6-55.9-49.7000113.6P170 E171 R230 L231P170-H173 PolarHBondContact O-CE1 3.37Å; P170-H173 VanDerWaalsContact O-CE1 3.31Å; E171-H173 PolarHBondContact O-CD2 3.17Å; E171-H173 VanDerWaalsContact O-CD2 3.32Å; E171-H173 PolarHBondContact O-N 3.01Å; H173-R230 VanDerWaalsContact CA-NH1 3.29Å; H173-R230 PolarHBondContact O-NH1 3.17Å; H173-R230 VanDerWaalsContact O-NH1 3.12Å; H173-L231 WeakPolarHBondContact O-CD2 3.44Å
174S98.2Very high98.3Very high43 Ų4347.6 Ų47.630%0.30124%0.241SC..  trans-147.4148.9178.1173.60000111.1D176 Q177S174-D176 PolarHBondContact O-N 3.08Å; S174-D176 WeakPolarHBondContact OG-CB 3.16Å; S174-D176 PolarHBondContact OG-N 3.4Å; S174-D176 PolarHBondContact OG-OD2 3.43Å; S174-Q177 WeakPolarHBondContact O-CB 3.24Å; S174-Q177 PolarHBondContact O-N 2.9Å; S174-Q177 VanDerWaalsContact O-N 3.1Å; S174-Q177 PolarHBondContact O-OE1 3.38Å
175F98.7Very high98.2Very high21 Ų2148.6 Ų48.69%0.09225%0.245CC..THydrogen-bonded Turntrans-59.8-23.6169.3-67.6-53.7000113.1L44 L156 F162 Q177 I178 R179 L231 I233L44-F175 HydrophobicContact CD2-CB 3.94Å; L156-F175 HydrophobicContact CD1-CE1 4.42Å; L156-F175 HydrophobicContact CD1-CE2 4.04Å; L156-F175 HydrophobicContact CD1-CZ 3.9Å; L156-F175 HydrophobicContact CD2-CD2 3.99Å; L156-F175 HydrophobicContact CD2-CE2 4.09Å; L156-F175 HydrophobicContact CD2-CG 4.38Å; F162-F175 HydrophobicContact CB-CE1 4.18Å; F162-F175 HydrophobicContact CB-CZ 4.16Å; F162-F175 AromaticContact CD1-CE1 3.95Å; F162-F175 HydrophobicContact CD1-CE1 3.95Å; F162-F175 HydrophobicContact CD1-CZ 4.49Å; F162-F175 HydrophobicContact CD2-CD1 4.21Å; F162-F175 AromaticContact CD2-CE1 3.43Å; F162-F175 HydrophobicContact CD2-CE1 3.43Å; F162-F175 VanDerWaalsContact CD2-CE1 3.43Å; F162-F175 HydrophobicContact CD2-CZ 4.23Å; F162-F175 HydrophobicContact CE1-CE1 4.14Å; F162-F175 HydrophobicContact CE2-CD1 4.07Å; F162-F175 AromaticContact CE2-CE1 3.63Å; F162-F175 HydrophobicContact CE2-CE1 3.63Å; F162-F175 AromaticContact CG-CE1 3.6Å; F162-F175 HydrophobicContact CG-CE1 3.6Å; F162-F175 HydrophobicContact CG-CZ 4.08Å; F162-F175 HydrophobicContact CZ-CD1 4.48Å; F162-F175 HydrophobicContact CZ-CE1 4.01Å; F175-Q177 PolarHBondContact O-N 3.25Å; F175-I178 PolarHBondContact O-N 2.98Å; F175-R179 PolarHBondContact O-N 2.99Å; F175-L231 HydrophobicContact CE1-CD1 4.14Å; F175-L231 HydrophobicContact CE2-CB 3.96Å; F175-L231 HydrophobicContact CZ-CB 3.94Å; F175-L231 HydrophobicContact CZ-CD1 4.02Å; F175-L231 HydrophobicContact CZ-CG 4.45Å; F175-I233 HydrophobicContact CE2-CG2 3.89Å; F175-I233 HydrophobicContact CZ-CG2 3.74Å
176D98.5Very high98.1Very high79 Ų7954.7 Ų54.742%0.42228%0.277SS..Hα-helixtrans-61-27174.5-70.5-43.4000113S174 I178 R179 N180S174-D176 PolarHBondContact O-N 3.08Å; S174-D176 WeakPolarHBondContact OG-CB 3.16Å; S174-D176 PolarHBondContact OG-N 3.4Å; S174-D176 PolarHBondContact OG-OD2 3.43Å; D176-I178 PolarHBondContact O-N 3.4Å; D176-R179 IonicContact OD1-CZ 3.39Å; D176-R179 IonicContact OD1-NH1 3.79Å; D176-R179 PolarHBondContact OD1-NH1 2.6Å; D176-N180 VanDerWaalsContact O-CB 3.28Å; D176-N180 WeakPolarHBondContact O-CB 3.39Å; D176-N180 VanDerWaalsContact O-CG 3.32Å; D176-N180 PolarHBondContact O-N 2.74Å; D176-N180 PolarHBondContact O-ND2 2.71Å
177Q98.6Very high98Very high70 Ų7055.9 Ų55.933%0.32728%0.283SS..Hα-helixtrans-64.7-30.3174.6-67.8171.9-84.800111.8E171 S174 F175 M181 L192E171-Q177 PolarHBondContact O-NE2 2.8Å; E171-Q177 PolarHBondContact O-OE1 3.12Å; S174-Q177 WeakPolarHBondContact O-CB 3.24Å; S174-Q177 PolarHBondContact O-N 2.9Å; S174-Q177 VanDerWaalsContact O-N 3.1Å; S174-Q177 PolarHBondContact O-OE1 3.38Å; F175-Q177 PolarHBondContact O-N 3.25Å; Q177-M181 WeakPolarHBondContact O-CG 3.4Å; Q177-L192 HydrophobicContact CB-CD2 3.9Å
178I98.7Very high97.9Very high0 Ų058.4 Ų58.40%030%0.3CS..Hα-helixtrans-86.4-46.4176.3-48.7176.9000109.9A43 L44 I153 A154 F162 L172 F175 D176 N180 M181 L196A43-I178 HydrophobicContact CB-CG2 4.43Å; A43-I178 WeakPolarHBondContact CB-O 3.38Å; L44-I178 HydrophobicContact CB-CB 4.21Å; L44-I178 HydrophobicContact CB-CG2 3.85Å; L44-I178 HydrophobicContact CD1-CG2 4.39Å; I153-I178 HydrophobicContact CD1-CG2 4.33Å; I153-I178 HydrophobicContact CG1-CG2 4.01Å; A154-I178 HydrophobicContact CB-CD1 4.04Å; A154-I178 HydrophobicContact CB-CG2 4.19Å; F162-I178 HydrophobicContact CE2-CD1 3.81Å; F162-I178 HydrophobicContact CZ-CD1 3.61Å; L172-I178 HydrophobicContact CD1-CD1 3.98Å; L172-I178 HydrophobicContact CD1-CG1 4.14Å; F175-I178 PolarHBondContact O-N 2.98Å; D176-I178 PolarHBondContact O-N 3.4Å; I178-N180 PolarHBondContact O-N 3.3Å; I178-M181 HydrophobicContact CB-CE 4.43Å; I178-M181 HydrophobicContact CG1-CE 4.17Å; I178-M181 HydrophobicContact CG2-CE 4.5Å; I178-M181 HydrophobicContact CG2-SD 4.41Å; I178-M181 WeakPolarHBondContact O-CB 3.32Å; I178-M181 WeakPolarHBondContact O-CG 3.2Å; I178-M181 PolarHBondContact O-N 2.91Å; I178-L196 HydrophobicContact CD1-CD1 3.8Å; I178-L196 HydrophobicContact CD1-CD2 4.46Å; I178-L196 HydrophobicContact CG1-CD1 4.14Å
179R98.4Very high97.7Very high91 Ų9164.2 Ų64.234%0.34334%0.335SS..Hα-helixtrans-53.9-38.1179-169.3177.6-70.5107.1-1.4112.6L44 E46 F175 D176L44-R179 HydrophobicContact CD2-CB 4.34Å; E46-R179 IonicContact OE1-CZ 3.57Å; E46-R179 IonicContact OE1-NH2 3.76Å; E46-R179 PolarHBondContact OE1-NH2 2.73Å; E46-R179 IonicContact OE2-CZ 2.67Å; E46-R179 IonicContact OE2-NE 3.56Å; E46-R179 PolarHBondContact OE2-NE 3.03Å; E46-R179 IonicContact OE2-NH2 3.45Å; E46-R179 PolarHBondContact OE2-NH2 2.91Å; F175-R179 PolarHBondContact O-N 2.99Å; D176-R179 IonicContact OD1-CZ 3.39Å; D176-R179 IonicContact OD1-NH1 3.79Å; D176-R179 PolarHBondContact OD1-NH1 2.6Å
180N98.2Very high97.6Very high121 Ų12171.4 Ų71.465%0.64737%0.369SS*.THydrogen-bonded Turntrans-92.18-179.1-61.3-46.6000114D176 I178 E182D176-N180 VanDerWaalsContact O-CB 3.28Å; D176-N180 WeakPolarHBondContact O-CB 3.39Å; D176-N180 VanDerWaalsContact O-CG 3.32Å; D176-N180 PolarHBondContact O-N 2.74Å; D176-N180 PolarHBondContact O-ND2 2.71Å; I178-N180 PolarHBondContact O-N 3.3Å; N180-E182 PolarHBondContact O-N 3.47Å
181M97.9Very high97.5Very high27 Ų2769.6 Ų69.613%0.13336%0.359CS..  trans-68.7129.3174.8-68.6-173.9-173.700110.7A43 I153 Q177 I178 L183 L192 K193 L196A43-M181 HydrophobicContact CB-CB 3.7Å; I153-M181 HydrophobicContact CD1-CE 3.96Å; I153-M181 HydrophobicContact CD1-SD 3.42Å; I153-M181 WeakPolarHBondContact CD1-SD 3.36Å; I153-M181 HydrophobicContact CG1-SD 4.37Å; Q177-M181 WeakPolarHBondContact O-CG 3.4Å; I178-M181 HydrophobicContact CB-CE 4.43Å; I178-M181 HydrophobicContact CG1-CE 4.17Å; I178-M181 HydrophobicContact CG2-CE 4.5Å; I178-M181 HydrophobicContact CG2-SD 4.41Å; I178-M181 WeakPolarHBondContact O-CB 3.32Å; I178-M181 WeakPolarHBondContact O-CG 3.2Å; I178-M181 PolarHBondContact O-N 2.91Å; M181-L183 PolarHBondContact O-N 2.96Å; M181-L192 HydrophobicContact CE-CB 4.49Å; M181-L192 HydrophobicContact CE-CD2 3.41Å; M181-L192 VanDerWaalsContact CE-CD2 3.41Å; M181-L192 HydrophobicContact CE-CG 3.68Å; M181-K193 HydrophobicContact CE-CG 4.04Å; M181-K193 HydrophobicContact SD-CD 4.36Å; M181-K193 HydrophobicContact SD-CG 3.8Å; M181-L196 HydrophobicContact CE-CD1 4.49Å
182E96.5Very high97.5Very high167 Ų16765.6 Ų65.678%0.7834%0.341SS*.  trans-70.1129.5170.1-63.3-176.2158.500110.6N180 F185N180-E182 PolarHBondContact O-N 3.47Å; E182-F185 WeakPolarHBondContact O-CD1 3.29Å
183L97.1Very high97.5Very high44 Ų4468 Ų6823%0.2335%0.352CS..SBendtrans-107.2146.7166.7-68.6170.1000109A43 M181 F185A43-L183 HydrophobicContact CB-CD1 4.12Å; A43-L183 HydrophobicContact CB-CG 4.16Å; M181-L183 PolarHBondContact O-N 2.96Å; L183-F185 HydrophobicContact CD2-CD1 3.69Å; L183-F185 HydrophobicContact CD2-CE1 3.62Å
184P98.1Very high97.6Very high66 Ų6662.2 Ų62.243%0.42933%0.325SS..SBendcis-78.9163.8-2.631-34.5000113.8S149S149-P184 VanDerWaalsContact C-CB 3.5Å; S149-P184 CarbonylContact O-C 3.57Å; S149-P184 WeakPolarHBondContact O-CA 3.06Å; S149-P184 WeakPolarHBondContact O-CB 3.29Å; S149-P184 WeakPolarHBondContact OG-CB 3.28Å
185F97.7Very high97.6Very high20 Ų2060.5 Ų60.59%0.08831%0.312CS..  trans-145157.2167.565.8-101.3000114R114 S149 I153 E182 L183 I187 K193R114-F185 PolarHBondContact NH1-O 3.4Å; S149-F185 WeakPolarHBondContact CB-O 3.25Å; S149-F185 PolarHBondContact O-N 3.22Å; I153-F185 HydrophobicContact CD1-CZ 4.12Å; I153-F185 HydrophobicContact CG2-CE1 4.14Å; I153-F185 HydrophobicContact CG2-CE2 4.42Å; I153-F185 HydrophobicContact CG2-CZ 3.48Å; I153-F185 VanDerWaalsContact CG2-CZ 3.48Å; E182-F185 WeakPolarHBondContact O-CD1 3.29Å; L183-F185 HydrophobicContact CD2-CD1 3.69Å; L183-F185 HydrophobicContact CD2-CE1 3.62Å; F185-I187 HydrophobicContact CE2-CG1 4.13Å; F185-K193 HydrophobicContact CD1-CD 4.17Å; F185-K193 VanDerWaalsContact CD1-NZ 3.3Å; F185-K193 HydrophobicContact CD2-CD 3.75Å; F185-K193 HydrophobicContact CE1-CD 4.06Å; F185-K193 HydrophobicContact CE1-CG 4.48Å; F185-K193 HydrophobicContact CE2-CB 4.1Å; F185-K193 HydrophobicContact CE2-CD 3.66Å; F185-K193 HydrophobicContact CE2-CG 4.04Å; F185-K193 HydrophobicContact CG-CD 4Å; F185-K193 VanDerWaalsContact CG-NZ 3.33Å; F185-K193 HydrophobicContact CZ-CB 4.33Å; F185-K193 HydrophobicContact CZ-CD 3.78Å; F185-K193 HydrophobicContact CZ-CG 3.93Å
186L96.9Very high97.6Very high129 Ų12959.5 Ų59.568%0.67531%0.308SS*.PPolyproline II helixtrans-85.4137.4164.4-63.4178.7000109.8P188L186-P188 WeakPolarHBondContact O-CD 3.3Å
187I96.8Very high97.6Very high25 Ų2555.8 Ų55.813%0.12829%0.288CS..PPolyproline II helixtrans-67.5119.9-179.1-66.1158.6000108.5F185 L197F185-I187 HydrophobicContact CE2-CG1 4.13Å; I187-L197 HydrophobicContact CD1-CD1 3.36Å; I187-L197 HydrophobicContact CG1-CD1 3.58Å; I187-L197 HydrophobicContact CG2-CD1 4.12Å
188P96.6Very high97.6Very high53 Ų5354 Ų5434%0.34428%0.278SS..PPolyproline II helixtrans-72.6165.2176.531.9-35000110.9L186 Q190 K193 C194L186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-Q190 VanDerWaalsContact C-N 3.28Å; P188-Q190 WeakPolarHBondContact CG-O 3.42Å; P188-Q190 PolarHBondContact O-N 3.46Å; P188-K193 HydrophobicContact CG-CB 3.83Å; P188-C194 WeakPolarHBondContact O-CB 3.31Å; P188-C194 PolarHBondContact O-SG 2.68Å
189T93.6Very high97.6Very high122 Ų12254 Ų5475%0.74828%0.278SS*.SBendtrans-78.5-9.7178.455.10000113.9C194T189-C194 VanDerWaalsContact C-SG 3.57Å; T189-C194 PolarHBondContact O-SG 3.46Å
190Q95.9Very high97.6Very high151 Ų15150.2 Ų50.271%0.70627%0.265SS*.SBendtrans-156.2167.9-179.465.2-174.315.500111.3P188P188-Q190 VanDerWaalsContact C-N 3.28Å; P188-Q190 WeakPolarHBondContact CG-O 3.42Å; P188-Q190 PolarHBondContact O-N 3.46Å
191G97.7Very high97.6Very high13 Ų1345.1 Ų45.113%0.13424%0.239CC..SBendtrans85.6-176.3176.900000113.5E171 K193 C194 D195E171-G191 WeakPolarHBondContact OE1-CA 3.29Å; G191-K193 VanDerWaalsContact C-N 3.33Å; G191-K193 PolarHBondContact O-N 3.07Å; G191-K193 VanDerWaalsContact O-N 3.1Å; G191-C194 WeakPolarHBondContact O-CA 3.39Å; G191-C194 VanDerWaalsContact O-CB 3.29Å; G191-C194 WeakPolarHBondContact O-CB 3.03Å; G191-C194 PolarHBondContact O-N 3.24Å; G191-D195 PolarHBondContact O-N 3.35Å
192L98.4Very high97.6Very high14 Ų1446.5 Ų46.57%0.07325%0.246CC..Hα-helixtrans-47.7-47.7-168.4-179.256.4000114.8S169 E171 L172 Q177 M181 C194 D195 L196S169-L192 VanDerWaalsContact CB-CD1 3.49Å; E171-L192 HydrophobicContact CB-CB 4.13Å; E171-L192 PolarHBondContact OE2-N 3.01Å; L172-L192 HydrophobicContact CB-CD1 3.85Å; L172-L192 HydrophobicContact CD1-CD1 4.18Å; Q177-L192 HydrophobicContact CB-CD2 3.9Å; M181-L192 HydrophobicContact CE-CB 4.49Å; M181-L192 HydrophobicContact CE-CD2 3.41Å; M181-L192 VanDerWaalsContact CE-CD2 3.41Å; M181-L192 HydrophobicContact CE-CG 3.68Å; L192-C194 VanDerWaalsContact C-N 3.31Å; L192-C194 PolarHBondContact O-N 3.04Å; L192-D195 PolarHBondContact O-N 3.04Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CG 3.98Å; L192-L196 HydrophobicContact CG-CD1 4.1Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.46Å; L192-L196 VanDerWaalsContact O-N 3.09Å
193K98.4Very high97.5Very high51 Ų5144.6 Ų44.622%0.22224%0.237CC..Hα-helixtrans-65-33.6180-69.8175.5174.1-170.10112.9I153 M181 F185 P188 G191 L197I153-K193 HydrophobicContact CD1-CG 4.4Å; M181-K193 HydrophobicContact CE-CG 4.04Å; M181-K193 HydrophobicContact SD-CD 4.36Å; M181-K193 HydrophobicContact SD-CG 3.8Å; F185-K193 HydrophobicContact CD1-CD 4.17Å; F185-K193 VanDerWaalsContact CD1-NZ 3.3Å; F185-K193 HydrophobicContact CD2-CD 3.75Å; F185-K193 HydrophobicContact CE1-CD 4.06Å; F185-K193 HydrophobicContact CE1-CG 4.48Å; F185-K193 HydrophobicContact CE2-CB 4.1Å; F185-K193 HydrophobicContact CE2-CD 3.66Å; F185-K193 HydrophobicContact CE2-CG 4.04Å; F185-K193 HydrophobicContact CG-CD 4Å; F185-K193 VanDerWaalsContact CG-NZ 3.33Å; F185-K193 HydrophobicContact CZ-CB 4.33Å; F185-K193 HydrophobicContact CZ-CD 3.78Å; F185-K193 HydrophobicContact CZ-CG 3.93Å; P188-K193 HydrophobicContact CG-CB 3.83Å; G191-K193 VanDerWaalsContact C-N 3.33Å; G191-K193 PolarHBondContact O-N 3.07Å; G191-K193 VanDerWaalsContact O-N 3.1Å; K193-L197 WeakPolarHBondContact O-CG 3.18Å
194C98.4Very high97.5Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-71.9-50.8176.8-172.40000109.9P188 T189 G191 L192 L196 L197 W198P188-C194 WeakPolarHBondContact O-CB 3.31Å; P188-C194 PolarHBondContact O-SG 2.68Å; T189-C194 VanDerWaalsContact C-SG 3.57Å; T189-C194 PolarHBondContact O-SG 3.46Å; G191-C194 WeakPolarHBondContact O-CA 3.39Å; G191-C194 VanDerWaalsContact O-CB 3.29Å; G191-C194 WeakPolarHBondContact O-CB 3.03Å; G191-C194 PolarHBondContact O-N 3.24Å; L192-C194 VanDerWaalsContact C-N 3.31Å; L192-C194 PolarHBondContact O-N 3.04Å; C194-L196 PolarHBondContact O-N 3.23Å; C194-L197 CarbonylContact O-C 3.52Å; C194-L197 PolarHBondContact O-N 2.9Å; C194-W198 WeakPolarHBondContact O-CB 3.43Å; C194-W198 VanDerWaalsContact O-CD1 3.32Å; C194-W198 PolarHBondContact O-N 3.1Å
195D98.7Very high97.3Very high7 Ų751.2 Ų51.24%0.03725%0.253CS..Hα-helixtrans-61.7-41.6-175.2-61.4-28.4000112.6G167 S169 G191 L192 L197 W198 A199 G216 V217G167-D195 PolarHBondContact N-O 2.84Å; S169-D195 VanDerWaalsContact CB-CB 3.48Å; S169-D195 WeakPolarHBondContact CB-OD2 3.33Å; S169-D195 PolarHBondContact OG-OD2 3.04Å; G191-D195 PolarHBondContact O-N 3.35Å; L192-D195 PolarHBondContact O-N 3.04Å; D195-L197 PolarHBondContact O-N 3.29Å; D195-W198 PolarHBondContact O-N 3.37Å; D195-A199 HydrophobicContact CB-CB 4.33Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.47Å; D195-G216 WeakPolarHBondContact OD1-CA 3.46Å; D195-V217 HydrophobicContact CB-CG2 4.44Å
196L98.8Very high97.3Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-59.7-17176-71.9173.8000113.5I153 F162 M164 G166 G167 I178 M181 L192 C194I153-L196 HydrophobicContact CD1-CD1 3.58Å; I153-L196 HydrophobicContact CG1-CD1 4.28Å; F162-L196 HydrophobicContact CE1-CD2 4.39Å; F162-L196 HydrophobicContact CZ-CD2 3.92Å; M164-L196 HydrophobicContact CB-CD2 4.48Å; M164-L196 HydrophobicContact CE-CD2 3.84Å; M164-L196 HydrophobicContact CG-CD2 4.46Å; M164-L196 WeakPolarHBondContact CG-O 3.28Å; G166-L196 WeakPolarHBondContact CA-O 3.28Å; G166-L196 PolarHBondContact N-O 2.74Å; G167-L196 WeakPolarHBondContact O-CA 3.39Å; I178-L196 HydrophobicContact CD1-CD1 3.8Å; I178-L196 HydrophobicContact CD1-CD2 4.46Å; I178-L196 HydrophobicContact CG1-CD1 4.14Å; M181-L196 HydrophobicContact CE-CD1 4.49Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CG 3.98Å; L192-L196 HydrophobicContact CG-CD1 4.1Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.46Å; L192-L196 VanDerWaalsContact O-N 3.09Å; C194-L196 PolarHBondContact O-N 3.23Å
197L98.7Very high97.4Very high0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-112.5-15.3179.8-56.4-178.2000113.6R114 N116 I153 H165 I187 K193 C194 D195R114-L197 WeakPolarHBondContact O-CD2 3.14Å; N116-L197 HydrophobicContact CB-CB 4.34Å; I153-L197 HydrophobicContact CB-CD2 4.4Å; I153-L197 HydrophobicContact CG2-CD2 4.49Å; H165-L197 HydrophobicContact CB-CD2 4.11Å; H165-L197 PolarHBondContact CD2-O 3.45Å; I187-L197 HydrophobicContact CD1-CD1 3.36Å; I187-L197 HydrophobicContact CG1-CD1 3.58Å; I187-L197 HydrophobicContact CG2-CD1 4.12Å; K193-L197 WeakPolarHBondContact O-CG 3.18Å; C194-L197 CarbonylContact O-C 3.52Å; C194-L197 PolarHBondContact O-N 2.9Å; D195-L197 PolarHBondContact O-N 3.29Å
198W98.6Very high97.5Very high32 Ų3252.4 Ų52.412%0.12127%0.268CS..Hα-helixtrans-127.6-18-171.7-76.496.8000115.3N116 I122 C194 D195 R213 A215N116-W198 HydrophobicContact CB-CD2 3.98Å; N116-W198 VanDerWaalsContact CB-CE2 3.47Å; N116-W198 HydrophobicContact CB-CG 4.4Å; N116-W198 HydrophobicContact CB-CH2 4.35Å; N116-W198 HydrophobicContact CB-CZ2 3.7Å; N116-W198 WeakPolarHBondContact ND2-CH2 3.47Å; N116-W198 WeakPolarHBondContact ND2-CZ2 3.15Å; N116-W198 WeakPolarHBondContact ND2-CZ3 3.32Å; I122-W198 HydrophobicContact CD1-CH2 3.51Å; I122-W198 HydrophobicContact CD1-CZ2 3.52Å; I122-W198 HydrophobicContact CG1-CH2 3.96Å; I122-W198 HydrophobicContact CG1-CZ2 3.59Å; C194-W198 WeakPolarHBondContact O-CB 3.43Å; C194-W198 VanDerWaalsContact O-CD1 3.32Å; C194-W198 PolarHBondContact O-N 3.1Å; D195-W198 PolarHBondContact O-N 3.37Å; W198-R213 HydrophobicContact CE3-CB 4.37Å; W198-R213 HydrophobicContact CZ3-CB 4.5Å; W198-A215 HydrophobicContact CB-CB 4.37Å; W198-A215 HydrophobicContact CD2-CB 3.71Å; W198-A215 HydrophobicContact CE3-CB 4.02Å; W198-A215 HydrophobicContact CG-CB 3.89Å
199A98.5Very high97.5Very high0 Ų052.9 Ų52.90%027%0.266CS..  trans-71.3148.9-17200000112.4G166 G167 L168 D195 V217 F219 R238G166-A199 CarbonylContact C-O 3.5Å; G166-A199 VanDerWaalsContact C-O 3.28Å; G167-A199 PolarHBondContact N-O 3.19Å; L168-A199 WeakPolarHBondContact O-CB 3.29Å; D195-A199 HydrophobicContact CB-CB 4.33Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.47Å; A199-V217 CarbonylContact C-O 3.5Å; A199-V217 WeakPolarHBondContact CA-O 3.37Å; A199-V217 HydrophobicContact CB-CG2 3.83Å; A199-V217 VanDerWaalsContact CB-O 3.28Å; A199-V217 WeakPolarHBondContact CB-O 3.35Å; A199-F219 HydrophobicContact CB-CD1 4.19Å; A199-F219 HydrophobicContact CB-CE1 3.95Å; A199-R238 PolarHBondContact O-NH2 2.86Å
200D98.6Very high97.6Very high13 Ų1351.5 Ų51.57%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-129.5141.7-177.1-80.7-28.2000112.7R213 V217 T218 F219 R238 H240 Q241D200-R213 IonicContact OD1-NH2 3.52Å; D200-R213 PolarHBondContact OD1-NH2 3.02Å; D200-R213 IonicContact OD2-CZ 3.68Å; D200-R213 IonicContact OD2-NE 2.78Å; D200-R213 PolarHBondContact OD2-NE 3.15Å; D200-R213 IonicContact OD2-NH2 3.64Å; D200-R213 PolarHBondContact OD2-NH2 3.47Å; D200-V217 PolarHBondContact N-O 3.43Å; D200-T218 HydrophobicContact CB-CG2 4.18Å; D200-T218 CarbonylContact O-C 3.43Å; D200-T218 WeakPolarHBondContact O-CA 3.48Å; D200-F219 VanDerWaalsContact C-CE1 3.47Å; D200-F219 WeakPolarHBondContact O-CD1 3.46Å; D200-F219 PolarHBondContact O-N 2.91Å; D200-R238 IonicContact OD1-CZ 2.88Å; D200-R238 IonicContact OD1-NH1 3.63Å; D200-R238 PolarHBondContact OD1-NH1 3.46Å; D200-R238 IonicContact OD1-NH2 2.62Å; D200-R238 PolarHBondContact OD1-NH2 3.39Å; D200-H240 IonicContact OD1-CD2 3.42Å; D200-H240 PolarHBondContact OD1-CD2 2.86Å; D200-Q241 VanDerWaalsContact CG-NE2 3.3Å; D200-Q241 VanDerWaalsContact OD1-CG 3.24Å; D200-Q241 WeakPolarHBondContact OD1-CG 3.39Å; D200-Q241 PolarHBondContact OD1-NE2 3.41Å
201P98.3Very high97.6Very high14 Ų1445.2 Ų45.29%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-66.3144.4166.129.4-34.7000111.5F219 Q241 F250 L255P201-F219 CarbonylContact C-O 3.59Å; P201-F219 WeakPolarHBondContact CA-O 3.06Å; P201-F219 HydrophobicContact CB-CE2 3.91Å; P201-F219 HydrophobicContact CB-CZ 4.15Å; P201-Q241 VanDerWaalsContact CD-OE1 3.26Å; P201-F250 HydrophobicContact CB-CD1 3.82Å; P201-F250 HydrophobicContact CB-CD2 4.14Å; P201-F250 HydrophobicContact CB-CE1 3.77Å; P201-F250 HydrophobicContact CB-CE2 4.1Å; P201-F250 HydrophobicContact CB-CG 4Å; P201-F250 HydrophobicContact CB-CZ 3.93Å; P201-L255 HydrophobicContact CG-CD2 4.33Å
202D97.6Very high97.3Very high55 Ų5553.9 Ų53.929%0.29428%0.279SS..  trans-126.7116172.4-174.4-14.2000110.5R204 G205 M209 F219D202-R204 PolarHBondContact O-N 3.38Å; D202-R204 PolarHBondContact OD1-N 3.17Å; D202-G205 PolarHBondContact O-N 3.17Å; D202-G205 VanDerWaalsContact O-N 3.16Å; D202-G205 PolarHBondContact OD1-N 3.12Å; D202-M209 HydrophobicContact CB-CE 3.85Å; D202-M209 VanDerWaalsContact OD2-CE 3.26Å; D202-M209 WeakPolarHBondContact OD2-CE 3.05Å; D202-F219 PolarHBondContact N-O 3.24Å
203H95.1Very high97Very high128 Ų12858.2 Ų58.259%0.59330%0.295SS*.THydrogen-bonded Turntrans-62.2-21.7178-70-87.3000114.8F250H203-F250 HydrophobicContact CB-CE2 4.45Å; H203-F250 AromaticContact CE1-CD2 3.49Å; H203-F250 VanDerWaalsContact CE1-CD2 3.49Å; H203-F250 WeakPolarHBondContact CE1-CD2 3.34Å; H203-F250 AromaticContact CG-CE2 3.9Å; H203-F250 AromaticContact ND1-CD2 3.61Å; H203-F250 AromaticContact ND1-CE2 3.69Å; H203-F250 AromaticContact NE2-CD2 3.92Å
204R95.6Very high96.7Very high239 Ų23959.4 Ų59.490%0.90232%0.321SS*.THydrogen-bonded Turntrans-104.2-6-180-58.1-179.1-174.4179.62.7112.1D202D202-R204 PolarHBondContact O-N 3.38Å; D202-R204 PolarHBondContact OD1-N 3.17Å
205G94.9Very high96.5Very high9 Ų960.3 Ų60.39%0.09333%0.328CS..  trans-80.3160.1-177.400000114.2D202D202-G205 PolarHBondContact O-N 3.17Å; D202-G205 VanDerWaalsContact O-N 3.16Å; D202-G205 PolarHBondContact OD1-N 3.12Å
206T97.8Very high96.4Very high108 Ų10860.8 Ų60.866%0.66334%0.335SS*.  trans-138.9135.6166.5-59.70000108D222T206-D222 WeakPolarHBondContact CA-OD1 3.39Å
207G98.4Very high96.3Very high22 Ų2261.9 Ų61.923%0.22734%0.342CS..SBendtrans65.3-161.1-172.200000112.5F219 G220 D222 V223G207-F219 VanDerWaalsContact O-CA 3.31Å; G207-F219 WeakPolarHBondContact O-CA 3.03Å; G207-G220 PolarHBondContact O-N 2.92Å; G207-D222 WeakPolarHBondContact CA-OD2 3.2Å; G207-D222 PolarHBondContact N-OD1 2.95Å; G207-D222 PolarHBondContact N-OD2 2.9Å; G207-V223 WeakPolarHBondContact O-CG2 3.28Å
208F98.4Very high96.3Very high70 Ų7062.9 Ų62.931%0.30735%0.348SS..EExtended strand (participates in β ladder)trans-89140.6171.1-73-78.7000111L168 S169 P170 V217 T218 F219 V223 M227L168-F208 HydrophobicContact CB-CE1 4.31Å; L168-F208 HydrophobicContact CB-CZ 4.3Å; S169-F208 VanDerWaalsContact C-CZ 3.42Å; P170-F208 HydrophobicContact CB-CD1 4.47Å; P170-F208 HydrophobicContact CB-CD2 3.75Å; P170-F208 HydrophobicContact CB-CE2 3.91Å; P170-F208 HydrophobicContact CB-CG 4.03Å; P170-F208 HydrophobicContact CB-CZ 4.33Å; P170-F208 HydrophobicContact CG-CD1 4.48Å; P170-F208 HydrophobicContact CG-CG 4.39Å; F208-V217 HydrophobicContact CD1-CB 4.31Å; F208-V217 HydrophobicContact CD1-CG2 3.68Å; F208-V217 HydrophobicContact CE1-CG2 4.05Å; F208-T218 CarbonylContact C-O 3.5Å; F208-T218 WeakPolarHBondContact CA-O 3.32Å; F208-F219 HydrophobicContact CD1-CB 3.73Å; F208-F219 HydrophobicContact CE1-CB 3.76Å; F208-F219 HydrophobicContact CE1-CD1 4.33Å; F208-F219 HydrophobicContact CE1-CG 4.3Å; F208-V223 HydrophobicContact CD2-CG1 4.31Å; F208-V223 HydrophobicContact CD2-CG2 4.09Å; F208-V223 HydrophobicContact CE1-CG1 3.86Å; F208-V223 HydrophobicContact CE2-CB 4.46Å; F208-V223 HydrophobicContact CE2-CG1 3.5Å; F208-V223 VanDerWaalsContact CE2-CG1 3.5Å; F208-V223 HydrophobicContact CE2-CG2 4.07Å; F208-V223 HydrophobicContact CG-CG2 4.48Å; F208-V223 HydrophobicContact CZ-CB 4.47Å; F208-V223 HydrophobicContact CZ-CG1 3.24Å; F208-V223 HydrophobicContact CZ-CG2 4.44Å; F208-M227 HydrophobicContact CE2-CE 4Å; F208-M227 HydrophobicContact CZ-CE 3.55Å
209M97.6Very high96.3Very high62 Ų6261.3 Ų61.331%0.30534%0.342SS..EExtended strand (participates in β ladder)trans-136.8166.1-178.3-54.9177.6-60.300111D202 S211 V217 T218D202-M209 HydrophobicContact CB-CE 3.85Å; D202-M209 VanDerWaalsContact OD2-CE 3.26Å; D202-M209 WeakPolarHBondContact OD2-CE 3.05Å; M209-S211 PolarHBondContact O-N 3.15Å; M209-V217 WeakPolarHBondContact O-CA 3.38Å; M209-V217 WeakPolarHBondContact O-CB 3.44Å; M209-T218 WeakPolarHBondContact CB-OG1 3.2Å; M209-T218 PolarHBondContact N-O 3.02Å; M209-T218 PolarHBondContact O-N 3.22Å; M209-T218 PolarHBondContact O-OG1 3.27Å
210A95.1Very high96.3Very high93 Ų9361.3 Ų61.377%0.76934%0.342SS*.EExtended strand (participates in β ladder)trans-66.7133.6176.400000111.1T218A210-T218 PolarHBondContact O-OG1 3.45Å
211S95.5Very high96.3Very high19 Ų1962.3 Ų62.313%0.13335%0.352CS..  trans-78.7137.3175.5179.10000111.8M209 R213 A215 G216M209-S211 PolarHBondContact O-N 3.15Å; S211-R213 PolarHBondContact O-N 2.88Å; S211-R213 WeakPolarHBondContact OG-CB 3.49Å; S211-R213 PolarHBondContact OG-N 3.24Å; S211-R213 VanDerWaalsContact OG-N 3.09Å; S211-A215 VanDerWaalsContact CB-O 3.29Å; S211-A215 WeakPolarHBondContact CB-O 3.04Å; S211-A215 PolarHBondContact OG-O 3.24Å; S211-G216 VanDerWaalsContact CB-O 3.31Å; S211-G216 WeakPolarHBondContact CB-O 3.47Å
212M92.7Very high96.3Very high196 Ų19664.9 Ų64.997%0.96637%0.365SS*.THydrogen-bonded Turntrans-72.8-9.7170.2-68.3-171.2-74.300113G214M212-G214 PolarHBondContact O-N 2.95Å
213R91.9Very high96.4Very high105 Ų10562.7 Ų62.740%0.39635%0.353SS..THydrogen-bonded Turntrans-71-16.2176.2-61.8-173.4179.5-103.56.9113.3W198 D200 S211 A215 H240W198-R213 HydrophobicContact CE3-CB 4.37Å; W198-R213 HydrophobicContact CZ3-CB 4.5Å; D200-R213 IonicContact OD1-NH2 3.52Å; D200-R213 PolarHBondContact OD1-NH2 3.02Å; D200-R213 IonicContact OD2-CZ 3.68Å; D200-R213 IonicContact OD2-NE 2.78Å; D200-R213 PolarHBondContact OD2-NE 3.15Å; D200-R213 IonicContact OD2-NH2 3.64Å; D200-R213 PolarHBondContact OD2-NH2 3.47Å; S211-R213 PolarHBondContact O-N 2.88Å; S211-R213 WeakPolarHBondContact OG-CB 3.49Å; S211-R213 PolarHBondContact OG-N 3.24Å; S211-R213 VanDerWaalsContact OG-N 3.09Å; R213-A215 PolarHBondContact O-N 3.41Å; R213-H240 PolarHBondContact NE-NE2 3.27Å; R213-H240 PolarHBondContact NH1-NE2 3.28Å; R213-H240 PolarHBondContact NH2-CD2 3.36Å; R213-H240 PolarHBondContact NH2-NE2 2.87Å
214G91.3Very high96.6Very high75 Ų7556.6 Ų56.677%0.77333%0.325SS*.SBendtrans76.23.5-169.500000114.1M212M212-G214 PolarHBondContact O-N 2.95Å
215A94.6Very high96.7Very high19 Ų1949 Ų4916%0.15730%0.302CS..SBendtrans-144150.2173.300000109.7W198 S211 R213W198-A215 HydrophobicContact CB-CB 4.37Å; W198-A215 HydrophobicContact CD2-CB 3.71Å; W198-A215 HydrophobicContact CE3-CB 4.02Å; W198-A215 HydrophobicContact CG-CB 3.89Å; S211-A215 VanDerWaalsContact CB-O 3.29Å; S211-A215 WeakPolarHBondContact CB-O 3.04Å; S211-A215 PolarHBondContact OG-O 3.24Å; R213-A215 PolarHBondContact O-N 3.41Å
216G95.8Very high96.9Very high17 Ų1751.5 Ų51.518%0.17531%0.313CS..SBendtrans64.9-160.8-175.600000114D195 S211D195-G216 WeakPolarHBondContact OD1-CA 3.46Å; S211-G216 VanDerWaalsContact CB-O 3.31Å; S211-G216 WeakPolarHBondContact CB-O 3.47Å
217V98.1Very high96.9Very high24 Ų2446.5 Ų46.515%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-131164.2-177.6-65.50000110.9D195 A199 D200 F208 M209D195-V217 HydrophobicContact CB-CG2 4.44Å; A199-V217 CarbonylContact C-O 3.5Å; A199-V217 WeakPolarHBondContact CA-O 3.37Å; A199-V217 HydrophobicContact CB-CG2 3.83Å; A199-V217 VanDerWaalsContact CB-O 3.28Å; A199-V217 WeakPolarHBondContact CB-O 3.35Å; D200-V217 PolarHBondContact N-O 3.43Å; F208-V217 HydrophobicContact CD1-CB 4.31Å; F208-V217 HydrophobicContact CD1-CG2 3.68Å; F208-V217 HydrophobicContact CE1-CG2 4.05Å; M209-V217 WeakPolarHBondContact O-CA 3.38Å; M209-V217 WeakPolarHBondContact O-CB 3.44Å
218T98.3Very high96.9Very high20 Ų2045.7 Ų45.712%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-105156.2162.547.60000110D200 F208 M209 A210D200-T218 HydrophobicContact CB-CG2 4.18Å; D200-T218 CarbonylContact O-C 3.43Å; D200-T218 WeakPolarHBondContact O-CA 3.48Å; F208-T218 CarbonylContact C-O 3.5Å; F208-T218 WeakPolarHBondContact CA-O 3.32Å; M209-T218 WeakPolarHBondContact CB-OG1 3.2Å; M209-T218 PolarHBondContact N-O 3.02Å; M209-T218 PolarHBondContact O-N 3.22Å; M209-T218 PolarHBondContact O-OG1 3.27Å; A210-T218 PolarHBondContact O-OG1 3.45Å
219F98.7Very high96.9Very high0 Ų051.4 Ų51.40%029%0.292CS..EExtended strand (participates in β ladder)trans-143.2143.2-179.956.5-91.6000113.9L168 A199 D200 P201 D202 G207 F208 V223 V224 L255L168-F219 HydrophobicContact CB-CD1 4.2Å; L168-F219 HydrophobicContact CB-CE1 4.14Å; L168-F219 HydrophobicContact CB-CE2 4.47Å; L168-F219 HydrophobicContact CB-CG 4.41Å; L168-F219 HydrophobicContact CB-CZ 4.27Å; L168-F219 HydrophobicContact CD1-CD2 4.28Å; L168-F219 HydrophobicContact CD1-CE2 4.09Å; L168-F219 HydrophobicContact CG-CE1 4.5Å; L168-F219 HydrophobicContact CG-CE2 4.19Å; L168-F219 HydrophobicContact CG-CZ 4.14Å; L168-F219 VanDerWaalsContact N-CE1 3.29Å; A199-F219 HydrophobicContact CB-CD1 4.19Å; A199-F219 HydrophobicContact CB-CE1 3.95Å; D200-F219 VanDerWaalsContact C-CE1 3.47Å; D200-F219 WeakPolarHBondContact O-CD1 3.46Å; D200-F219 PolarHBondContact O-N 2.91Å; P201-F219 CarbonylContact C-O 3.59Å; P201-F219 WeakPolarHBondContact CA-O 3.06Å; P201-F219 HydrophobicContact CB-CE2 3.91Å; P201-F219 HydrophobicContact CB-CZ 4.15Å; D202-F219 PolarHBondContact N-O 3.24Å; G207-F219 VanDerWaalsContact O-CA 3.31Å; G207-F219 WeakPolarHBondContact O-CA 3.03Å; F208-F219 HydrophobicContact CD1-CB 3.73Å; F208-F219 HydrophobicContact CE1-CB 3.76Å; F208-F219 HydrophobicContact CE1-CD1 4.33Å; F208-F219 HydrophobicContact CE1-CG 4.3Å; F219-V223 HydrophobicContact CB-CB 4.01Å; F219-V223 HydrophobicContact CB-CG1 3.99Å; F219-V223 HydrophobicContact CB-CG2 4.05Å; F219-V223 HydrophobicContact CD2-CB 4.49Å; F219-V223 HydrophobicContact CD2-CG1 4.45Å; F219-V223 HydrophobicContact CG-CG1 4.4Å; F219-V224 HydrophobicContact CD2-CG2 3.77Å; F219-V224 HydrophobicContact CE2-CG2 3.56Å; F219-L255 HydrophobicContact CE2-CD1 3.81Å; F219-L255 HydrophobicContact CZ-CD1 3.95Å
220G98.5Very high96.9Very high0 Ų053 Ų530%030%0.295CS..  trans-77.6172.1177.100000114.2G207 D222 V223G207-G220 PolarHBondContact O-N 2.92Å; G220-D222 WeakPolarHBondContact CA-OD1 3.46Å; G220-D222 PolarHBondContact O-N 3.04Å; G220-V223 WeakPolarHBondContact O-CB 3.4Å; G220-V223 PolarHBondContact O-N 3.14Å
221A98.5Very high97.1Very high33 Ų3349.5 Ų49.527%0.27326%0.263SS..Hα-helixtrans-63.7-29.9177.300000112.9V223 V224 I225 F250 A251A221-V223 VanDerWaalsContact C-N 3.32Å; A221-V223 PolarHBondContact O-N 2.95Å; A221-V224 PolarHBondContact O-N 3.25Å; A221-I225 WeakPolarHBondContact O-CD1 3.18Å; A221-I225 VanDerWaalsContact O-CG1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.23Å; A221-I225 PolarHBondContact O-N 2.85Å; A221-F250 HydrophobicContact CB-CE1 4.01Å; A221-F250 HydrophobicContact CB-CZ 3.87Å; A221-A251 HydrophobicContact CB-CB 3.88Å
222D98.5Very high97.2Very high68 Ų6853.7 Ų53.736%0.36428%0.284SS..Hα-helixtrans-61.3-39.1175.861-55.5000112.2T206 G207 G220 I225 D226T206-D222 WeakPolarHBondContact CA-OD1 3.39Å; G207-D222 WeakPolarHBondContact CA-OD2 3.2Å; G207-D222 PolarHBondContact N-OD1 2.95Å; G207-D222 PolarHBondContact N-OD2 2.9Å; G220-D222 WeakPolarHBondContact CA-OD1 3.46Å; G220-D222 PolarHBondContact O-N 3.04Å; D222-I225 PolarHBondContact O-N 3.39Å; D222-D226 PolarHBondContact O-N 2.94Å
223V98.7Very high97.5Very high10 Ų1044.6 Ų44.66%0.06124%0.239CC..Hα-helixtrans-62.1-47175.8174.20000110.9L168 G207 F208 F219 G220 A221 I225 D226 M227L168-V223 HydrophobicContact CB-CG1 4.44Å; L168-V223 HydrophobicContact CD1-CG1 4.08Å; G207-V223 WeakPolarHBondContact O-CG2 3.28Å; F208-V223 HydrophobicContact CD2-CG1 4.31Å; F208-V223 HydrophobicContact CD2-CG2 4.09Å; F208-V223 HydrophobicContact CE1-CG1 3.86Å; F208-V223 HydrophobicContact CE2-CB 4.46Å; F208-V223 HydrophobicContact CE2-CG1 3.5Å; F208-V223 VanDerWaalsContact CE2-CG1 3.5Å; F208-V223 HydrophobicContact CE2-CG2 4.07Å; F208-V223 HydrophobicContact CG-CG2 4.48Å; F208-V223 HydrophobicContact CZ-CB 4.47Å; F208-V223 HydrophobicContact CZ-CG1 3.24Å; F208-V223 HydrophobicContact CZ-CG2 4.44Å; F219-V223 HydrophobicContact CB-CB 4.01Å; F219-V223 HydrophobicContact CB-CG1 3.99Å; F219-V223 HydrophobicContact CB-CG2 4.05Å; F219-V223 HydrophobicContact CD2-CB 4.49Å; F219-V223 HydrophobicContact CD2-CG1 4.45Å; F219-V223 HydrophobicContact CG-CG1 4.4Å; G220-V223 WeakPolarHBondContact O-CB 3.4Å; G220-V223 PolarHBondContact O-N 3.14Å; A221-V223 VanDerWaalsContact C-N 3.32Å; A221-V223 PolarHBondContact O-N 2.95Å; V223-I225 PolarHBondContact O-N 2.94Å; V223-D226 PolarHBondContact O-N 3.12Å; V223-M227 HydrophobicContact CG1-CE 4.25Å; V223-M227 HydrophobicContact CG1-CG 4.36Å; V223-M227 WeakPolarHBondContact O-CB 3.42Å; V223-M227 WeakPolarHBondContact O-CG 3.45Å; V223-M227 PolarHBondContact O-N 3.18Å
224V98.8Very high97.8Very high0 Ų043.5 Ų43.50%024%0.241CC..Hα-helixtrans-62.2-45.8179.6-179.50000110.5L168 F219 A221 D226 M227 C228 F250 A251 R254 L255L168-V224 HydrophobicContact CD1-CB 4.32Å; L168-V224 HydrophobicContact CD1-CG2 3.83Å; F219-V224 HydrophobicContact CD2-CG2 3.77Å; F219-V224 HydrophobicContact CE2-CG2 3.56Å; A221-V224 PolarHBondContact O-N 3.25Å; V224-D226 PolarHBondContact O-N 2.97Å; V224-M227 PolarHBondContact O-N 2.62Å; V224-C228 WeakPolarHBondContact O-CB 3.49Å; V224-C228 PolarHBondContact O-N 2.79Å; V224-C228 PolarHBondContact O-SG 2.97Å; V224-C228 VanDerWaalsContact O-SG 3.33Å; V224-F250 HydrophobicContact CG2-CD1 3.9Å; V224-F250 HydrophobicContact CG2-CE1 3.78Å; V224-A251 HydrophobicContact CB-CB 3.66Å; V224-A251 HydrophobicContact CG1-CB 3.76Å; V224-A251 HydrophobicContact CG2-CB 4.18Å; V224-R254 HydrophobicContact CG1-CB 3.85Å; V224-L255 HydrophobicContact CG1-CB 3.88Å; V224-L255 HydrophobicContact CG2-CB 4.43Å; V224-L255 HydrophobicContact CG2-CD1 4.05Å
225I98.5Very high98.1Very high79 Ų7941 Ų4141%0.40521%0.21SC..Hα-helixtrans-61.3-46.2179.7-67.5162.3000110.9A221 D222 V223 R229 A251A221-I225 WeakPolarHBondContact O-CD1 3.18Å; A221-I225 VanDerWaalsContact O-CG1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.23Å; A221-I225 PolarHBondContact O-N 2.85Å; D222-I225 PolarHBondContact O-N 3.39Å; V223-I225 PolarHBondContact O-N 2.94Å; I225-R229 PolarHBondContact O-N 3.45Å; I225-A251 HydrophobicContact CG1-CB 4.45Å
226D98.4Very high98.3Very high61 Ų6140 Ų4033%0.32620%0.202SC..Hα-helixtrans-65.4-44.4178-178.668.6000111.9D222 V223 V224 R229 R230D222-D226 PolarHBondContact O-N 2.94Å; V223-D226 PolarHBondContact O-N 3.12Å; V224-D226 PolarHBondContact O-N 2.97Å; D226-R229 WeakPolarHBondContact O-CB 3.41Å; D226-R229 PolarHBondContact O-N 2.98Å; D226-R229 IonicContact OD1-CZ 3.78Å; D226-R229 IonicContact OD1-NE 3.85Å; D226-R229 IonicContact OD1-NH2 2.88Å; D226-R229 PolarHBondContact OD1-NH2 2.87Å; D226-R230 VanDerWaalsContact O-CB 3.3Å; D226-R230 WeakPolarHBondContact O-CB 3.4Å; D226-R230 PolarHBondContact O-N 3.37Å; D226-R230 IonicContact OD2-NE 2.71Å
227M98.4Very high98.5Very high4 Ų439.2 Ų39.22%0.0219%0.194CC..Hα-helixtrans-63.9-43.2179.2-75.1-149.8178.700112.8L168 S169 L172 F208 V223 V224 R229 R230 L231L168-M227 HydrophobicContact CB-CE 4.16Å; L168-M227 HydrophobicContact CB-SD 3.78Å; L168-M227 HydrophobicContact CD1-CB 4.19Å; L168-M227 HydrophobicContact CD1-CG 4.2Å; L168-M227 HydrophobicContact CD1-SD 3.73Å; L168-M227 HydrophobicContact CD2-SD 3.76Å; L168-M227 HydrophobicContact CG-SD 3.95Å; S169-M227 WeakPolarHBondContact O-CE 3.35Å; L172-M227 HydrophobicContact CB-CE 4.44Å; F208-M227 HydrophobicContact CE2-CE 4Å; F208-M227 HydrophobicContact CZ-CE 3.55Å; V223-M227 HydrophobicContact CG1-CE 4.25Å; V223-M227 HydrophobicContact CG1-CG 4.36Å; V223-M227 WeakPolarHBondContact O-CB 3.42Å; V223-M227 WeakPolarHBondContact O-CG 3.45Å; V223-M227 PolarHBondContact O-N 3.18Å; V224-M227 PolarHBondContact O-N 2.62Å; M227-R229 VanDerWaalsContact C-N 3.25Å; M227-R229 PolarHBondContact O-N 2.89Å; M227-R230 PolarHBondContact O-N 3.26Å; M227-L231 WeakPolarHBondContact O-CB 3.22Å; M227-L231 PolarHBondContact O-N 2.93Å
228C98.5Very high98.5Very high5 Ų538.1 Ų38.13%0.03419%0.187CC..Hα-helixtrans-56.9-42.9175.1-74.90000111.4V224 D232 I233V224-C228 WeakPolarHBondContact O-CB 3.49Å; V224-C228 PolarHBondContact O-N 2.79Å; V224-C228 PolarHBondContact O-SG 2.97Å; V224-C228 VanDerWaalsContact O-SG 3.33Å; C228-D232 WeakPolarHBondContact O-CA 3.43Å; C228-D232 PolarHBondContact O-N 2.99Å; C228-D232 VanDerWaalsContact O-N 3.13Å; C228-I233 HydrophobicContact CB-CG1 4.24Å; C228-I233 WeakPolarHBondContact CB-O 3.26Å; C228-I233 PolarHBondContact O-N 3.32Å
229R98.1Very high98.5Very high190 Ų19037.1 Ų37.172%0.71718%0.181SC*.Hα-helixtrans-66.4-46.3175.9-176.9-174.666.2155.2-1.6112.3I225 D226 M227 D232I225-R229 PolarHBondContact O-N 3.45Å; D226-R229 WeakPolarHBondContact O-CB 3.41Å; D226-R229 PolarHBondContact O-N 2.98Å; D226-R229 IonicContact OD1-CZ 3.78Å; D226-R229 IonicContact OD1-NE 3.85Å; D226-R229 IonicContact OD1-NH2 2.88Å; D226-R229 PolarHBondContact OD1-NH2 2.87Å; M227-R229 VanDerWaalsContact C-N 3.25Å; M227-R229 PolarHBondContact O-N 2.89Å; R229-D232 PolarHBondContact O-N 3.45Å
230R98Very high98.5Very high95 Ų9537.7 Ų37.736%0.35818%0.184SC..Hα-helixtrans-73.9-35.4-172.3-178171.751.374.9-8.6113.1L172 H173 D226 M227L172-R230 PolarHBondContact O-NH1 3.35Å; L172-R230 PolarHBondContact O-NH2 2.94Å; H173-R230 VanDerWaalsContact CA-NH1 3.29Å; H173-R230 PolarHBondContact O-NH1 3.17Å; H173-R230 VanDerWaalsContact O-NH1 3.12Å; D226-R230 VanDerWaalsContact O-CB 3.3Å; D226-R230 WeakPolarHBondContact O-CB 3.4Å; D226-R230 PolarHBondContact O-N 3.37Å; D226-R230 IonicContact OD2-NE 2.71Å; M227-R230 PolarHBondContact O-N 3.26Å
231L98.3Very high98.5Very high20 Ų2039.8 Ų39.811%0.10519%0.193CC..THydrogen-bonded Turntrans-91.70.3176.9-61.5177000112.7L172 H173 F175 M227 I233L172-L231 HydrophobicContact CD2-CD1 3.97Å; L172-L231 HydrophobicContact CG-CD1 4.29Å; H173-L231 WeakPolarHBondContact O-CD2 3.44Å; F175-L231 HydrophobicContact CE1-CD1 4.14Å; F175-L231 HydrophobicContact CE2-CB 3.96Å; F175-L231 HydrophobicContact CZ-CB 3.94Å; F175-L231 HydrophobicContact CZ-CD1 4.02Å; F175-L231 HydrophobicContact CZ-CG 4.45Å; M227-L231 WeakPolarHBondContact O-CB 3.22Å; M227-L231 PolarHBondContact O-N 2.93Å; L231-I233 HydrophobicContact CB-CG1 4.4Å
232D98.2Very high98.4Very high106 Ų10640.6 Ų40.657%0.56720%0.195SC*.THydrogen-bonded Turntrans51.154.6-178.2-169.825.6000113.3R160 C228 R229R160-D232 IonicContact CZ-OD1 2.6Å; R160-D232 PolarHBondContact NH1-O 3.11Å; R160-D232 IonicContact NH1-OD1 3.53Å; R160-D232 PolarHBondContact NH1-OD1 2.87Å; R160-D232 IonicContact NH1-OD2 2.99Å; R160-D232 PolarHBondContact NH1-OD2 3.05Å; R160-D232 IonicContact NH2-OD1 2.73Å; C228-D232 WeakPolarHBondContact O-CA 3.43Å; C228-D232 PolarHBondContact O-N 2.99Å; C228-D232 VanDerWaalsContact O-N 3.13Å; R229-D232 PolarHBondContact O-N 3.45Å
233I98.6Very high98.3Very high6 Ų637.8 Ų37.83%0.03118%0.18CC..  trans-123.3154.9176.460.4171.4000110.6L156 R160 F162 F175 C228 L231 V236L156-I233 HydrophobicContact CD1-CG2 4.12Å; R160-I233 VanDerWaalsContact O-CB 3.31Å; R160-I233 WeakPolarHBondContact O-CB 3.26Å; F162-I233 HydrophobicContact CB-CD1 3.44Å; F162-I233 VanDerWaalsContact CB-CD1 3.44Å; F162-I233 HydrophobicContact CD1-CD1 4.32Å; F162-I233 HydrophobicContact CG-CD1 4.34Å; F175-I233 HydrophobicContact CE2-CG2 3.89Å; F175-I233 HydrophobicContact CZ-CG2 3.74Å; C228-I233 HydrophobicContact CB-CG1 4.24Å; C228-I233 WeakPolarHBondContact CB-O 3.26Å; C228-I233 PolarHBondContact O-N 3.32Å; L231-I233 HydrophobicContact CB-CG1 4.4Å; I233-V236 HydrophobicContact CD1-CG2 4.07Å
234D98.2Very high98.2Very high81 Ų8142.7 Ų42.743%0.43320%0.202SC..SBendtrans-87.4-36.7-179.9-62.5-48.5000112.2R160R160-D234 WeakPolarHBondContact CB-OD2 3.32Å; R160-D234 IonicContact CZ-OD1 3.23Å; R160-D234 IonicContact CZ-OD2 3.99Å; R160-D234 IonicContact NE-OD1 2.62Å; R160-D234 IonicContact NE-OD2 3.79Å; R160-D234 PolarHBondContact NE-OD2 3.08Å; R160-D234 VanDerWaalsContact NH2-CG 3.35Å; R160-D234 IonicContact NH2-OD1 3.91Å; R160-D234 PolarHBondContact NH2-OD1 2.65Å; R160-D234 IonicContact NH2-OD2 2.9Å; R160-D234 PolarHBondContact NH2-OD2 3.39Å; R160-D234 PolarHBondContact O-N 3.43Å
235M98.6Very high98.1Very high22 Ų2246.6 Ų46.611%0.10822%0.223CC..EExtended strand (participates in β ladder)trans-151.2144.8-172.4-170.5-177.2-7000112.7R160 L161 F162 V237 F249 N253 R254 V256 L275R160-M235 PolarHBondContact O-N 3.04Å; L161-M235 WeakPolarHBondContact CA-O 3.31Å; L161-M235 HydrophobicContact CG-CB 4.36Å; F162-M235 PolarHBondContact N-O 3.33Å; M235-V237 HydrophobicContact CG-CG2 4.36Å; M235-V237 HydrophobicContact SD-CG2 4.24Å; M235-F249 HydrophobicContact CE-CE1 4.17Å; M235-N253 WeakPolarHBondContact CE-O 3.49Å; M235-R254 CarbonylContact C-O 3.52Å; M235-R254 VanDerWaalsContact CA-O 3.28Å; M235-R254 WeakPolarHBondContact CA-O 3.32Å; M235-V256 HydrophobicContact CG-CG1 4.41Å; M235-V256 HydrophobicContact SD-CB 4.23Å; M235-V256 HydrophobicContact SD-CG1 3.57Å; M235-V256 VanDerWaalsContact SD-CG1 3.57Å; M235-L275 HydrophobicContact SD-CD2 4.49Å
236V98.9Very high98.1Very high0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-95.2128.1164.21790000108.8F162 M164 L168 I233 R254 L255 V256F162-V236 CarbonylContact O-C 3.18Å; F162-V236 VanDerWaalsContact O-CA 3.28Å; F162-V236 WeakPolarHBondContact O-CA 3.49Å; M164-V236 HydrophobicContact CE-CG1 4.25Å; M164-V236 HydrophobicContact SD-CG1 3.72Å; L168-V236 HydrophobicContact CD2-CG1 4.26Å; L168-V236 HydrophobicContact CD2-CG2 4.02Å; I233-V236 HydrophobicContact CD1-CG2 4.07Å; V236-R254 PolarHBondContact N-O 2.99Å; V236-L255 HydrophobicContact CB-CB 4.13Å; V236-L255 HydrophobicContact CB-CD1 4.03Å; V236-L255 HydrophobicContact CB-CG 4.03Å; V236-L255 HydrophobicContact CG1-CD1 3.83Å; V236-L255 HydrophobicContact CG1-CG 4.13Å; V236-L255 CarbonylContact O-C 3.49Å; V236-L255 VanDerWaalsContact O-CA 3.23Å; V236-L255 WeakPolarHBondContact O-CA 3.48Å; V236-V256 PolarHBondContact O-N 2.88Å
237V98.9Very high98.1Very high0 Ų043.4 Ų43.40%020%0.202CC..EExtended strand (participates in β ladder)trans-114.4119.1176.5-170.70000108.3I53 L82 L161 F162 C163 M164 M235 V256 I258 L275I53-V237 HydrophobicContact CB-CG1 4.36Å; I53-V237 HydrophobicContact CD1-CB 4.38Å; I53-V237 HydrophobicContact CD1-CG1 4.13Å; I53-V237 HydrophobicContact CD1-CG2 4.19Å; I53-V237 HydrophobicContact CG2-CG1 3.79Å; L82-V237 HydrophobicContact CD1-CG1 4.22Å; L161-V237 HydrophobicContact CB-CG2 4.32Å; L161-V237 HydrophobicContact CD2-CG2 4.08Å; F162-V237 PolarHBondContact O-N 2.98Å; C163-V237 VanDerWaalsContact CA-O 3.25Å; C163-V237 WeakPolarHBondContact CA-O 3.16Å; M164-V237 PolarHBondContact N-O 3.34Å; M235-V237 HydrophobicContact CG-CG2 4.36Å; M235-V237 HydrophobicContact SD-CG2 4.24Å; V237-V256 HydrophobicContact CB-CG1 4.28Å; V237-V256 HydrophobicContact CG1-CG1 3.96Å; V237-V256 HydrophobicContact CG2-CG1 4.06Å; V237-I258 HydrophobicContact CG1-CG1 4.06Å; V237-L275 HydrophobicContact CB-CD2 4.38Å; V237-L275 HydrophobicContact CG1-CD2 3.75Å; V237-L275 HydrophobicContact CG2-CD2 3.64Å
238R98.9Very high98.1Very high0 Ų047.5 Ų47.50%022%0.221CC..EExtended strand (participates in β ladder)trans-137170.4-17375.781.646.6144.80.5113.6M164 H165 G166 A199 D200 H240 Q241 L255 V256 T257 I258M164-R238 WeakPolarHBondContact O-CA 3.45Å; M164-R238 HydrophobicContact SD-CB 4.1Å; H165-R238 PolarHBondContact O-NE 2.97Å; H165-R238 PolarHBondContact O-NH2 2.9Å; G166-R238 WeakPolarHBondContact O-CB 3.46Å; G166-R238 PolarHBondContact O-NE 3.44Å; G166-R238 PolarHBondContact O-NH2 3.21Å; A199-R238 PolarHBondContact O-NH2 2.86Å; D200-R238 IonicContact OD1-CZ 2.88Å; D200-R238 IonicContact OD1-NH1 3.63Å; D200-R238 PolarHBondContact OD1-NH1 3.46Å; D200-R238 IonicContact OD1-NH2 2.62Å; D200-R238 PolarHBondContact OD1-NH2 3.39Å; R238-H240 PolarHBondContact NH2-CD2 3.46Å; R238-Q241 VanDerWaalsContact NH1-CD 3.28Å; R238-L255 HydrophobicContact CG-CD1 4.28Å; R238-L255 HydrophobicContact CG-CD2 3.98Å; R238-L255 HydrophobicContact CG-CG 4.24Å; R238-V256 PolarHBondContact N-O 3.06Å; R238-T257 VanDerWaalsContact CD-OG1 3.26Å; R238-T257 WeakPolarHBondContact CD-OG1 3.46Å; R238-T257 CarbonylContact O-C 3.57Å; R238-T257 VanDerWaalsContact O-CA 3.31Å; R238-T257 WeakPolarHBondContact O-CA 3.1Å; R238-I258 PolarHBondContact O-N 2.95Å
239A98.8Very high98.1Very high0 Ų050.7 Ų50.70%023%0.234CC..  trans-124.9-135.5-173.800000112.1D56 L82 H165 Q241 I258D56-A239 VanDerWaalsContact OD2-CB 3.26Å; D56-A239 WeakPolarHBondContact OD2-CB 3.3Å; L82-A239 HydrophobicContact CB-CB 3.77Å; L82-A239 HydrophobicContact CD1-CB 3.99Å; H165-A239 CarbonylContact O-C 3.55Å; H165-A239 PolarHBondContact O-N 3.44Å; A239-Q241 PolarHBondContact O-N 3.37Å; A239-I258 WeakPolarHBondContact CA-O 3.27Å
240H98.4Very high98.1Very high12 Ų1242.1 Ų42.16%0.05620%0.202CC..SBendtrans70.4-33.7162-168.364000117.6D56 N116 H165 D200 R213 R238D56-H240 WeakPolarHBondContact OD1-CA 3.39Å; D56-H240 PolarHBondContact OD1-N 3.36Å; D56-H240 PolarHBondContact OD2-N 2.63Å; N116-H240 VanDerWaalsContact CG-CE1 3.5Å; N116-H240 PolarHBondContact OD1-CE1 3.49Å; N116-H240 VanDerWaalsContact OD1-CE1 3.25Å; N116-H240 PolarHBondContact OD1-ND1 3.44Å; N116-H240 VanDerWaalsContact OD1-ND1 3.09Å; H165-H240 AromaticContact CD2-CG 3.96Å; H165-H240 AromaticContact CD2-ND1 3.54Å; H165-H240 VanDerWaalsContact NE2-CB 3.35Å; H165-H240 WeakPolarHBondContact NE2-CB 3.33Å; H165-H240 AromaticContact NE2-CG 3.49Å; H165-H240 AromaticContact NE2-ND1 2.95Å; H165-H240 PolarHBondContact NE2-ND1 2.89Å; D200-H240 IonicContact OD1-CD2 3.42Å; D200-H240 PolarHBondContact OD1-CD2 2.86Å; R213-H240 PolarHBondContact NE-NE2 3.27Å; R213-H240 PolarHBondContact NH1-NE2 3.28Å; R213-H240 PolarHBondContact NH2-CD2 3.36Å; R213-H240 PolarHBondContact NH2-NE2 2.87Å; R238-H240 PolarHBondContact NH2-CD2 3.46Å
241Q97.8Very high98.1Very high43 Ų4338.1 Ų38.120%0.20119%0.19CC..SBendtrans-99.4121.4176.7-77.1174.4-46.500109.5D200 P201 R238 A239 V243 T257 F259D200-Q241 VanDerWaalsContact CG-NE2 3.3Å; D200-Q241 VanDerWaalsContact OD1-CG 3.24Å; D200-Q241 WeakPolarHBondContact OD1-CG 3.39Å; D200-Q241 PolarHBondContact OD1-NE2 3.41Å; P201-Q241 VanDerWaalsContact CD-OE1 3.26Å; R238-Q241 VanDerWaalsContact NH1-CD 3.28Å; A239-Q241 PolarHBondContact O-N 3.37Å; Q241-V243 PolarHBondContact O-N 3.37Å; Q241-T257 HydrophobicContact CB-CG2 4.06Å; Q241-F259 WeakPolarHBondContact O-CD2 3.42Å
242V96.9Very high98Very high51 Ų5140.1 Ų40.131%0.30922%0.215SC..  trans-62.7122.3170.6-169.20000108.7F259 Y264 F268 N270V242-F259 HydrophobicContact CB-CD2 4.48Å; V242-F259 HydrophobicContact CB-CE2 4.27Å; V242-F259 HydrophobicContact CB-CZ 4.32Å; V242-F259 HydrophobicContact CG1-CD1 4.23Å; V242-F259 HydrophobicContact CG1-CE1 4.09Å; V242-F259 HydrophobicContact CG1-CZ 4.34Å; V242-F259 HydrophobicContact CG2-CD2 4.36Å; V242-F259 HydrophobicContact CG2-CE1 4.22Å; V242-F259 HydrophobicContact CG2-CE2 3.7Å; V242-F259 HydrophobicContact CG2-CZ 3.64Å; V242-Y264 HydrophobicContact CG1-CD1 4.27Å; V242-Y264 HydrophobicContact CG2-CD1 3.5Å; V242-Y264 VanDerWaalsContact CG2-CD1 3.5Å; V242-Y264 HydrophobicContact CG2-CE1 3.57Å; V242-Y264 HydrophobicContact CG2-CG 4.38Å; V242-F268 HydrophobicContact CB-CD1 4.37Å; V242-F268 HydrophobicContact CB-CE1 4.4Å; V242-F268 HydrophobicContact CG1-CD1 3.78Å; V242-F268 HydrophobicContact CG1-CE1 4.29Å; V242-F268 HydrophobicContact CG1-CG 4.42Å; V242-F268 HydrophobicContact CG2-CE1 4.27Å; V242-N270 HydrophobicContact CG1-CB 4.39Å
243V97.2Very high97.9Very high8 Ų839.8 Ų39.85%0.04821%0.213CC..  trans-122.4135.9178.8-73.70000109.7Q241 N245 G246 E248 T257 F259Q241-V243 PolarHBondContact O-N 3.37Å; V243-N245 VanDerWaalsContact C-N 3.28Å; V243-N245 PolarHBondContact O-N 3.05Å; V243-N245 VanDerWaalsContact O-N 3.13Å; V243-G246 VanDerWaalsContact CG2-C 3.49Å; V243-G246 PolarHBondContact O-N 3.31Å; V243-E248 HydrophobicContact CB-CB 4.18Å; V243-E248 HydrophobicContact CG1-CB 3.65Å; V243-T257 HydrophobicContact CG1-CG2 3.86Å; V243-T257 HydrophobicContact CG2-CG2 4.25Å; V243-F259 HydrophobicContact CG2-CB 3.81Å
244Q96.7Very high97.9Very high113 Ų11344.5 Ų44.553%0.52823%0.231SC..THydrogen-bonded Turntrans-57.1-38.7-165.9-172.560.829.900113.8N269 N270 S271Q244-N269 PolarHBondContact NE2-O 3.27Å; Q244-N270 CarbonylContact O-C 3.51Å; Q244-N270 VanDerWaalsContact O-CA 3.29Å; Q244-N270 WeakPolarHBondContact O-CA 3.47Å; Q244-S271 PolarHBondContact O-N 3.07Å
245N96.6Very high97.9Very high82 Ų8240.7 Ų40.744%0.43921%0.21SC..THydrogen-bonded Turntrans-95.26.2-177.7-65.9-44.5000113.3V243 Y247V243-N245 VanDerWaalsContact C-N 3.28Å; V243-N245 PolarHBondContact O-N 3.05Å; V243-N245 VanDerWaalsContact O-N 3.13Å; N245-Y247 HydrophobicContact CB-CD1 4.1Å; N245-Y247 HydrophobicContact CB-CE1 3.99Å; N245-Y247 PolarHBondContact O-N 3.34Å
246G97.8Very high98Very high0 Ų039.6 Ų39.60%021%0.205CC..SBendtrans78.9-3.2-173.200000114.2V243 F259 S271 G273V243-G246 VanDerWaalsContact CG2-C 3.49Å; V243-G246 PolarHBondContact O-N 3.31Å; G246-F259 WeakPolarHBondContact CA-O 3.39Å; G246-F259 PolarHBondContact O-N 3.44Å; G246-S271 WeakPolarHBondContact CA-O 3.4Å; G246-S271 PolarHBondContact N-O 3.08Å; G246-S271 VanDerWaalsContact N-O 3.15Å; G246-G273 WeakPolarHBondContact O-CA 3.35Å
247Y98.5Very high98Very high74 Ų7439.8 Ų39.829%0.2921%0.206SC..EExtended strand (participates in β ladder)trans-149.8157171.177.2-73.6000111.8N245 F249 T257 I285 I287N245-Y247 HydrophobicContact CB-CD1 4.1Å; N245-Y247 HydrophobicContact CB-CE1 3.99Å; N245-Y247 PolarHBondContact O-N 3.34Å; Y247-F249 HydrophobicContact CD2-CD2 4.01Å; Y247-F249 AromaticContact CD2-CE2 3.85Å; Y247-F249 HydrophobicContact CD2-CE2 3.85Å; Y247-F249 AromaticContact CE2-CD2 3.85Å; Y247-F249 HydrophobicContact CE2-CD2 3.85Å; Y247-F249 AromaticContact CE2-CE2 3.69Å; Y247-F249 HydrophobicContact CE2-CE2 3.69Å; Y247-T257 CarbonylContact C-O 3.58Å; Y247-T257 WeakPolarHBondContact CA-O 3.3Å; Y247-I285 HydrophobicContact CD1-CG2 3.57Å; Y247-I285 HydrophobicContact CD2-CD1 4.21Å; Y247-I285 HydrophobicContact CD2-CG1 3.92Å; Y247-I285 HydrophobicContact CD2-CG2 4.45Å; Y247-I285 HydrophobicContact CE1-CG2 3.97Å; Y247-I285 HydrophobicContact CE2-CG1 4.26Å; Y247-I285 HydrophobicContact CG-CD1 4.15Å; Y247-I285 HydrophobicContact CG-CG1 4.05Å; Y247-I285 HydrophobicContact CG-CG2 3.82Å; Y247-I287 HydrophobicContact CD1-CD1 4.49Å; Y247-I287 HydrophobicContact CE1-CD1 4Å
248E98.3Very high98Very high90 Ų9039.8 Ų39.842%0.42121%0.206SC..EExtended strand (participates in β ladder)trans-150.8131.9169.9-173.7165.2-122.700110.9V243 V256 T257V243-E248 HydrophobicContact CB-CB 4.18Å; V243-E248 HydrophobicContact CG1-CB 3.65Å; E248-V256 CarbonylContact O-C 3.6Å; E248-V256 WeakPolarHBondContact O-CA 3.47Å; E248-T257 PolarHBondContact N-O 3.14Å; E248-T257 PolarHBondContact O-N 2.86Å
249F98.2Very high97.9Very high71 Ų7139.8 Ų39.831%0.31121%0.206SC..EExtended strand (participates in β ladder)trans-91.1145.8175.7-74.7-73.8000111.8M235 Y247 N253 L255 V256 I285M235-F249 HydrophobicContact CE-CE1 4.17Å; Y247-F249 HydrophobicContact CD2-CD2 4.01Å; Y247-F249 AromaticContact CD2-CE2 3.85Å; Y247-F249 HydrophobicContact CD2-CE2 3.85Å; Y247-F249 AromaticContact CE2-CD2 3.85Å; Y247-F249 HydrophobicContact CE2-CD2 3.85Å; Y247-F249 AromaticContact CE2-CE2 3.69Å; Y247-F249 HydrophobicContact CE2-CE2 3.69Å; F249-N253 WeakPolarHBondContact CB-OD1 3.38Å; F249-N253 HydrophobicContact CD1-CB 4.04Å; F249-N253 HydrophobicContact CE1-CB 4.5Å; F249-L255 WeakPolarHBondContact CA-O 3.41Å; F249-V256 HydrophobicContact CD1-CB 3.78Å; F249-V256 HydrophobicContact CD1-CG2 3.88Å; F249-V256 HydrophobicContact CE1-CB 3.77Å; F249-V256 HydrophobicContact CE1-CG2 3.77Å; F249-V256 HydrophobicContact CG-CG2 4.41Å; F249-V256 HydrophobicContact CZ-CG2 4.19Å; F249-I285 HydrophobicContact CZ-CG1 4.47Å
250F98.3Very high97.9Very high10 Ų1039.9 Ų39.94%0.04421%0.207CC..EExtended strand (participates in β ladder)trans-137.2161.9-179.5-176.1-104.4000111.3P201 H203 A221 V224 G252 N253 R254 L255P201-F250 HydrophobicContact CB-CD1 3.82Å; P201-F250 HydrophobicContact CB-CD2 4.14Å; P201-F250 HydrophobicContact CB-CE1 3.77Å; P201-F250 HydrophobicContact CB-CE2 4.1Å; P201-F250 HydrophobicContact CB-CG 4Å; P201-F250 HydrophobicContact CB-CZ 3.93Å; H203-F250 HydrophobicContact CB-CE2 4.45Å; H203-F250 AromaticContact CE1-CD2 3.49Å; H203-F250 VanDerWaalsContact CE1-CD2 3.49Å; H203-F250 WeakPolarHBondContact CE1-CD2 3.34Å; H203-F250 AromaticContact CG-CE2 3.9Å; H203-F250 AromaticContact ND1-CD2 3.61Å; H203-F250 AromaticContact ND1-CE2 3.69Å; H203-F250 AromaticContact NE2-CD2 3.92Å; A221-F250 HydrophobicContact CB-CE1 4.01Å; A221-F250 HydrophobicContact CB-CZ 3.87Å; V224-F250 HydrophobicContact CG2-CD1 3.9Å; V224-F250 HydrophobicContact CG2-CE1 3.78Å; F250-G252 VanDerWaalsContact C-N 3.29Å; F250-G252 PolarHBondContact O-N 3.23Å; F250-N253 PolarHBondContact O-N 3.15Å; F250-N253 VanDerWaalsContact O-N 3.08Å; F250-R254 PolarHBondContact O-N 3.34Å; F250-L255 HydrophobicContact CB-CB 4.16Å; F250-L255 HydrophobicContact CB-CD2 3.81Å; F250-L255 HydrophobicContact CD1-CB 4.29Å; F250-L255 HydrophobicContact CD1-CD2 4.5Å; F250-L255 PolarHBondContact N-O 3.21Å; F250-L255 PolarHBondContact O-N 2.92Å
251A98Very high97.9Very high12 Ų1239.3 Ų39.310%0.09920%0.204CC..THydrogen-bonded Turntrans50.741.6175.100000114.9A221 V224 I225 R254A221-A251 HydrophobicContact CB-CB 3.88Å; V224-A251 HydrophobicContact CB-CB 3.66Å; V224-A251 HydrophobicContact CG1-CB 3.76Å; V224-A251 HydrophobicContact CG2-CB 4.18Å; I225-A251 HydrophobicContact CG1-CB 4.45Å; A251-R254 HydrophobicContact CB-CB 4.42Å
252G96Very high97.8Very high61 Ų6137.3 Ų37.363%0.62920%0.195SC*.THydrogen-bonded Turntrans65.347.9-177.700000112.5F250 R254F250-G252 VanDerWaalsContact C-N 3.29Å; F250-G252 PolarHBondContact O-N 3.23Å; G252-R254 VanDerWaalsContact C-N 3.25Å; G252-R254 PolarHBondContact O-N 3.3Å
253N97.2Very high97.7Very high99 Ų9936.2 Ų36.253%0.52919%0.187SC..THydrogen-bonded Turntrans6420.6-179.6-52.9-15.6000114.9M235 F249 F250M235-N253 WeakPolarHBondContact CE-O 3.49Å; F249-N253 WeakPolarHBondContact CB-OD1 3.38Å; F249-N253 HydrophobicContact CD1-CB 4.04Å; F249-N253 HydrophobicContact CE1-CB 4.5Å; F250-N253 PolarHBondContact O-N 3.15Å; F250-N253 VanDerWaalsContact O-N 3.08Å
254R98.2Very high97.5Very high106 Ų10636.1 Ų36.140%0.419%0.186SC..THydrogen-bonded Turntrans-90.2-11173.4-73.2176.7178.370.74.8113.4V224 M235 V236 F250 A251 G252V224-R254 HydrophobicContact CG1-CB 3.85Å; M235-R254 CarbonylContact C-O 3.52Å; M235-R254 VanDerWaalsContact CA-O 3.28Å; M235-R254 WeakPolarHBondContact CA-O 3.32Å; V236-R254 PolarHBondContact N-O 2.99Å; F250-R254 PolarHBondContact O-N 3.34Å; A251-R254 HydrophobicContact CB-CB 4.42Å; G252-R254 VanDerWaalsContact C-N 3.25Å; G252-R254 PolarHBondContact O-N 3.3Å
255L98.8Very high97.1Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-132.3141.2167.9179.6154000108.8P201 F219 V224 V236 R238 F249 F250P201-L255 HydrophobicContact CG-CD2 4.33Å; F219-L255 HydrophobicContact CE2-CD1 3.81Å; F219-L255 HydrophobicContact CZ-CD1 3.95Å; V224-L255 HydrophobicContact CG1-CB 3.88Å; V224-L255 HydrophobicContact CG2-CB 4.43Å; V224-L255 HydrophobicContact CG2-CD1 4.05Å; V236-L255 HydrophobicContact CB-CB 4.13Å; V236-L255 HydrophobicContact CB-CD1 4.03Å; V236-L255 HydrophobicContact CB-CG 4.03Å; V236-L255 HydrophobicContact CG1-CD1 3.83Å; V236-L255 HydrophobicContact CG1-CG 4.13Å; V236-L255 CarbonylContact O-C 3.49Å; V236-L255 VanDerWaalsContact O-CA 3.23Å; V236-L255 WeakPolarHBondContact O-CA 3.48Å; R238-L255 HydrophobicContact CG-CD1 4.28Å; R238-L255 HydrophobicContact CG-CD2 3.98Å; R238-L255 HydrophobicContact CG-CG 4.24Å; F249-L255 WeakPolarHBondContact CA-O 3.41Å; F250-L255 HydrophobicContact CB-CB 4.16Å; F250-L255 HydrophobicContact CB-CD2 3.81Å; F250-L255 HydrophobicContact CD1-CB 4.29Å; F250-L255 HydrophobicContact CD1-CD2 4.5Å; F250-L255 PolarHBondContact N-O 3.21Å; F250-L255 PolarHBondContact O-N 2.92Å
256V98.8Very high96.4Very high0 Ų031.9 Ų31.90%018%0.183CC..EExtended strand (participates in β ladder)trans-129127.7169.366.50000109.8M235 V236 V237 R238 E248 F249 I258 L275 I285M235-V256 HydrophobicContact CG-CG1 4.41Å; M235-V256 HydrophobicContact SD-CB 4.23Å; M235-V256 HydrophobicContact SD-CG1 3.57Å; M235-V256 VanDerWaalsContact SD-CG1 3.57Å; V236-V256 PolarHBondContact O-N 2.88Å; V237-V256 HydrophobicContact CB-CG1 4.28Å; V237-V256 HydrophobicContact CG1-CG1 3.96Å; V237-V256 HydrophobicContact CG2-CG1 4.06Å; R238-V256 PolarHBondContact N-O 3.06Å; E248-V256 CarbonylContact O-C 3.6Å; E248-V256 WeakPolarHBondContact O-CA 3.47Å; F249-V256 HydrophobicContact CD1-CB 3.78Å; F249-V256 HydrophobicContact CD1-CG2 3.88Å; F249-V256 HydrophobicContact CE1-CB 3.77Å; F249-V256 HydrophobicContact CE1-CG2 3.77Å; F249-V256 HydrophobicContact CG-CG2 4.41Å; F249-V256 HydrophobicContact CZ-CG2 4.19Å; V256-I258 HydrophobicContact CG1-CD1 4.42Å; V256-I258 HydrophobicContact CG1-CG1 4.44Å; V256-I258 HydrophobicContact CG2-CD1 3.78Å; V256-I258 HydrophobicContact CG2-CG1 4.45Å; V256-L275 HydrophobicContact CG1-CD2 3.95Å; V256-I285 HydrophobicContact CG2-CD1 4.42Å
257T98.9Very high95.8Very high3 Ų339.6 Ų39.62%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-86.7134167.1-61.90000108.3R238 Q241 V243 Y247 E248R238-T257 VanDerWaalsContact CD-OG1 3.26Å; R238-T257 WeakPolarHBondContact CD-OG1 3.46Å; R238-T257 CarbonylContact O-C 3.57Å; R238-T257 VanDerWaalsContact O-CA 3.31Å; R238-T257 WeakPolarHBondContact O-CA 3.1Å; Q241-T257 HydrophobicContact CB-CG2 4.06Å; V243-T257 HydrophobicContact CG1-CG2 3.86Å; V243-T257 HydrophobicContact CG2-CG2 4.25Å; Y247-T257 CarbonylContact C-O 3.58Å; Y247-T257 WeakPolarHBondContact CA-O 3.3Å; E248-T257 PolarHBondContact N-O 3.14Å; E248-T257 PolarHBondContact O-N 2.86Å
258I98.8Very high95.2Very high0 Ų040.5 Ų40.50%022%0.224CC..EExtended strand (participates in β ladder)trans-124.1132.1178.1-58.2-62.7000108.8V237 R238 A239 V256 G273 L275 I285V237-I258 HydrophobicContact CG1-CG1 4.06Å; R238-I258 PolarHBondContact O-N 2.95Å; A239-I258 WeakPolarHBondContact CA-O 3.27Å; V256-I258 HydrophobicContact CG1-CD1 4.42Å; V256-I258 HydrophobicContact CG1-CG1 4.44Å; V256-I258 HydrophobicContact CG2-CD1 3.78Å; V256-I258 HydrophobicContact CG2-CG1 4.45Å; I258-G273 VanDerWaalsContact CG2-O 3.26Å; I258-G273 WeakPolarHBondContact CG2-O 3.39Å; I258-L275 HydrophobicContact CD1-CB 3.9Å; I258-L275 HydrophobicContact CG1-CB 4.16Å; I258-I285 HydrophobicContact CD1-CD1 3.71Å
259F98.6Very high94.9Very high1 Ų140.7 Ų40.70%0.00423%0.228CC..BIsolated β-bridgetrans-132.2118.4177.1-162.7-91.2000109.4D56 Q241 V242 V243 G246 A261 Y264 A272 G273D56-F259 HydrophobicContact CB-CD2 3.77Å; D56-F259 HydrophobicContact CB-CE2 3.4Å; D56-F259 HydrophobicContact CB-CZ 3.82Å; D56-F259 VanDerWaalsContact CG-CD2 3.47Å; D56-F259 WeakPolarHBondContact OD1-CE2 3.32Å; D56-F259 WeakPolarHBondContact OD2-CD2 3.44Å; Q241-F259 WeakPolarHBondContact O-CD2 3.42Å; V242-F259 HydrophobicContact CB-CD2 4.48Å; V242-F259 HydrophobicContact CB-CE2 4.27Å; V242-F259 HydrophobicContact CB-CZ 4.32Å; V242-F259 HydrophobicContact CG1-CD1 4.23Å; V242-F259 HydrophobicContact CG1-CE1 4.09Å; V242-F259 HydrophobicContact CG1-CZ 4.34Å; V242-F259 HydrophobicContact CG2-CD2 4.36Å; V242-F259 HydrophobicContact CG2-CE1 4.22Å; V242-F259 HydrophobicContact CG2-CE2 3.7Å; V242-F259 HydrophobicContact CG2-CZ 3.64Å; V243-F259 HydrophobicContact CG2-CB 3.81Å; G246-F259 WeakPolarHBondContact CA-O 3.39Å; G246-F259 PolarHBondContact O-N 3.44Å; F259-A261 HydrophobicContact CD1-CB 4.2Å; F259-A261 WeakPolarHBondContact CD1-O 3.4Å; F259-A261 HydrophobicContact CE1-CB 3.54Å; F259-A261 WeakPolarHBondContact CE1-O 3.3Å; F259-A261 HydrophobicContact CZ-CB 4.17Å; F259-Y264 HydrophobicContact CE1-CD1 4.42Å; F259-Y264 AromaticContact CE1-CD2 4Å; F259-Y264 HydrophobicContact CE1-CD2 4Å; F259-Y264 AromaticContact CE1-CG 3.86Å; F259-Y264 HydrophobicContact CE1-CG 3.86Å; F259-Y264 HydrophobicContact CZ-CD1 4.1Å; F259-Y264 AromaticContact CZ-CD2 3.79Å; F259-Y264 HydrophobicContact CZ-CD2 3.79Å; F259-Y264 HydrophobicContact CZ-CE1 4.26Å; F259-Y264 AromaticContact CZ-CE2 3.99Å; F259-Y264 HydrophobicContact CZ-CE2 3.99Å; F259-Y264 AromaticContact CZ-CG 3.83Å; F259-Y264 HydrophobicContact CZ-CG 3.83Å; F259-A272 CarbonylContact O-C 3.49Å; F259-A272 WeakPolarHBondContact O-CA 3.33Å; F259-G273 PolarHBondContact O-N 3.44Å
260S98.6Very high94.8Very high2 Ų237.3 Ų37.31%0.01421%0.213CC..  trans-105.97.6-166.3-60.50000114.6G55 D56 A272 G273G55-S260 PolarHBondContact N-OG 3.4Å; D56-S260 CarbonylContact O-C 3.54Å; D56-S260 WeakPolarHBondContact O-CA 3.33Å; D56-S260 WeakPolarHBondContact O-CB 3.49Å; D56-S260 PolarHBondContact O-N 3.19Å; S260-A272 VanDerWaalsContact C-CB 3.41Å; S260-A272 WeakPolarHBondContact O-CB 3.32Å; S260-G273 PolarHBondContact OG-O 2.92Å
261A97.5Very high94.8Very high0 Ų037.1 Ų37.10%021%0.213CC..  trans-101.1108.1175.700000110.8D56 F259 Y264 N270D56-A261 PolarHBondContact O-N 2.88Å; F259-A261 HydrophobicContact CD1-CB 4.2Å; F259-A261 WeakPolarHBondContact CD1-O 3.4Å; F259-A261 HydrophobicContact CE1-CB 3.54Å; F259-A261 WeakPolarHBondContact CE1-O 3.3Å; F259-A261 HydrophobicContact CZ-CB 4.17Å; A261-Y264 HydrophobicContact CB-CD2 4.21Å; A261-N270 PolarHBondContact O-ND2 3.14Å
262P96.6Very high94.8Very high1 Ų136.6 Ų36.61%0.00621%0.209CC..THydrogen-bonded Turntrans-82.1150.8-179.433.8-32.5000111.1Q60 D63 Y264 A272 P290Q60-P262 PolarHBondContact NE2-O 3.08Å; D63-P262 HydrophobicContact CB-CG 3.92Å; P262-Y264 PolarHBondContact O-N 3.4Å; P262-A272 HydrophobicContact CB-CB 3.79Å; P262-A272 HydrophobicContact CG-CB 4.05Å; P262-P290 HydrophobicContact CB-CB 4.26Å
263N94.8Very high94.9Very high27 Ų2733.7 Ų33.714%0.14418%0.179CC..THydrogen-bonded Turntrans42.252.6-172.6-169.536.8000111.8C265 G266 E267 N269 N270 P290N263-C265 PolarHBondContact O-N 3.19Å; N263-G266 WeakPolarHBondContact ND2-CA 3.33Å; N263-G266 PolarHBondContact ND2-O 3.1Å; N263-G266 WeakPolarHBondContact O-CA 3.16Å; N263-G266 PolarHBondContact O-N 3.2Å; N263-E267 PolarHBondContact OD1-N 3.05Å; N263-N269 PolarHBondContact OD1-N 3.47Å; N263-N269 VanDerWaalsContact OD1-N 3.08Å; N263-N270 PolarHBondContact N-O 3.01Å; N263-N270 PolarHBondContact N-OD1 2.86Å; N263-P290 HydrophobicContact CB-CB 3.62Å
264Y92.9Very high94.9Very high7 Ų729.2 Ų29.23%0.02716%0.155CC..G310 helixtrans-51138.1-173.5179.2-124.8000111.2H58 R88 V242 F259 A261 P262 G266 E267 F268 N270H58-Y264 HydrophobicContact CB-CE2 3.78Å; H58-Y264 AromaticContact CD2-CE2 3.22Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.36Å; H58-Y264 AromaticContact CD2-CZ 3.58Å; H58-Y264 PolarHBondContact CD2-OH 2.82Å; H58-Y264 VanDerWaalsContact CD2-OH 3.26Å; H58-Y264 AromaticContact CG-CE2 3.71Å; H58-Y264 AromaticContact NE2-CE2 3.99Å; H58-Y264 AromaticContact NE2-CZ 3.86Å; H58-Y264 PolarHBondContact NE2-OH 3.39Å; H58-Y264 VanDerWaalsContact NE2-OH 3.08Å; R88-Y264 HydrophobicContact CB-CE2 4.29Å; R88-Y264 HydrophobicContact CG-CE2 4.39Å; R88-Y264 WeakPolarHBondContact CG-OH 3.35Å; R88-Y264 PolarHBondContact NH1-OH 2.85Å; V242-Y264 HydrophobicContact CG1-CD1 4.27Å; V242-Y264 HydrophobicContact CG2-CD1 3.5Å; V242-Y264 VanDerWaalsContact CG2-CD1 3.5Å; V242-Y264 HydrophobicContact CG2-CE1 3.57Å; V242-Y264 HydrophobicContact CG2-CG 4.38Å; F259-Y264 HydrophobicContact CE1-CD1 4.42Å; F259-Y264 AromaticContact CE1-CD2 4Å; F259-Y264 HydrophobicContact CE1-CD2 4Å; F259-Y264 AromaticContact CE1-CG 3.86Å; F259-Y264 HydrophobicContact CE1-CG 3.86Å; F259-Y264 HydrophobicContact CZ-CD1 4.1Å; F259-Y264 AromaticContact CZ-CD2 3.79Å; F259-Y264 HydrophobicContact CZ-CD2 3.79Å; F259-Y264 HydrophobicContact CZ-CE1 4.26Å; F259-Y264 AromaticContact CZ-CE2 3.99Å; F259-Y264 HydrophobicContact CZ-CE2 3.99Å; F259-Y264 AromaticContact CZ-CG 3.83Å; F259-Y264 HydrophobicContact CZ-CG 3.83Å; A261-Y264 HydrophobicContact CB-CD2 4.21Å; P262-Y264 PolarHBondContact O-N 3.4Å; Y264-G266 PolarHBondContact O-N 2.79Å; Y264-E267 PolarHBondContact O-N 3.26Å; Y264-F268 HydrophobicContact CD1-CD1 4.31Å; Y264-F268 AromaticContact CD1-CD2 3.77Å; Y264-F268 HydrophobicContact CD1-CD2 3.77Å; Y264-F268 HydrophobicContact CD1-CE1 4.28Å; Y264-F268 AromaticContact CD1-CE2 3.71Å; Y264-F268 HydrophobicContact CD1-CE2 3.71Å; Y264-F268 HydrophobicContact CD1-CG 4.06Å; Y264-F268 AromaticContact CD1-CZ 3.97Å; Y264-F268 HydrophobicContact CD1-CZ 3.97Å; Y264-F268 HydrophobicContact CE1-CE2 4.2Å; Y264-F268 HydrophobicContact CE1-CZ 4.26Å; Y264-F268 HydrophobicContact CG-CD2 4.38Å; Y264-F268 WeakPolarHBondContact O-CD2 3.43Å; Y264-F268 PolarHBondContact O-N 2.98Å; Y264-F268 VanDerWaalsContact O-N 3.16Å; Y264-N270 VanDerWaalsContact CB-OD1 3.3Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.28Å; Y264-N270 PolarHBondContact N-OD1 2.62Å
265C87.2Confident95Very high54 Ų5424.1 Ų24.137%0.36514%0.136SC..G310 helixtrans5310.9-173.1-66.80000115.8N263 E267 F268N263-C265 PolarHBondContact O-N 3.19Å; C265-E267 VanDerWaalsContact C-N 3.26Å; C265-E267 PolarHBondContact O-N 3.49Å; C265-F268 HydrophobicContact CB-CD2 4.31Å; C265-F268 HydrophobicContact CB-CE2 4.22Å
266G83.1Confident94.9Very high52 Ų5224.9 Ų24.954%0.53614%0.142SC..G310 helixtrans79.51.2-173.300000114.8N263 Y264N263-G266 WeakPolarHBondContact ND2-CA 3.33Å; N263-G266 PolarHBondContact ND2-O 3.1Å; N263-G266 WeakPolarHBondContact O-CA 3.16Å; N263-G266 PolarHBondContact O-N 3.2Å; Y264-G266 PolarHBondContact O-N 2.79Å
267E83.8Confident94.9Very high162 Ų16225 Ų2576%0.75714%0.143SC*.THydrogen-bonded Turntrans-125.1-29.4-166.2-64.7-177.1167.300114N263 Y264 C265 N269N263-E267 PolarHBondContact OD1-N 3.05Å; Y264-E267 PolarHBondContact O-N 3.26Å; C265-E267 VanDerWaalsContact C-N 3.26Å; C265-E267 PolarHBondContact O-N 3.49Å; E267-N269 PolarHBondContact O-N 2.77Å
268F86.9Confident94.9Very high93 Ų9327 Ų2741%0.40815%0.153SC..SBendtrans-78.8-17.6-167-76.6-112.1000113.5V242 Y264 C265 N270V242-F268 HydrophobicContact CB-CD1 4.37Å; V242-F268 HydrophobicContact CB-CE1 4.4Å; V242-F268 HydrophobicContact CG1-CD1 3.78Å; V242-F268 HydrophobicContact CG1-CE1 4.29Å; V242-F268 HydrophobicContact CG1-CG 4.42Å; V242-F268 HydrophobicContact CG2-CE1 4.27Å; Y264-F268 HydrophobicContact CD1-CD1 4.31Å; Y264-F268 AromaticContact CD1-CD2 3.77Å; Y264-F268 HydrophobicContact CD1-CD2 3.77Å; Y264-F268 HydrophobicContact CD1-CE1 4.28Å; Y264-F268 AromaticContact CD1-CE2 3.71Å; Y264-F268 HydrophobicContact CD1-CE2 3.71Å; Y264-F268 HydrophobicContact CD1-CG 4.06Å; Y264-F268 AromaticContact CD1-CZ 3.97Å; Y264-F268 HydrophobicContact CD1-CZ 3.97Å; Y264-F268 HydrophobicContact CE1-CE2 4.2Å; Y264-F268 HydrophobicContact CE1-CZ 4.26Å; Y264-F268 HydrophobicContact CG-CD2 4.38Å; Y264-F268 WeakPolarHBondContact O-CD2 3.43Å; Y264-F268 PolarHBondContact O-N 2.98Å; Y264-F268 VanDerWaalsContact O-N 3.16Å; C265-F268 HydrophobicContact CB-CD2 4.31Å; C265-F268 HydrophobicContact CB-CE2 4.22Å; F268-N270 HydrophobicContact CB-CB 4.45Å; F268-N270 WeakPolarHBondContact CB-OD1 3.46Å; F268-N270 PolarHBondContact O-N 3.48Å
269N92.4Very high94.8Very high93 Ų9333.7 Ų33.750%0.49719%0.185SC..  trans51.119.5-175.8-176.617.7000113.1Q244 N263 E267 Y292Q244-N269 PolarHBondContact NE2-O 3.27Å; N263-N269 PolarHBondContact OD1-N 3.47Å; N263-N269 VanDerWaalsContact OD1-N 3.08Å; E267-N269 PolarHBondContact O-N 2.77Å; N269-Y292 VanDerWaalsContact CG-OH 3.24Å; N269-Y292 PolarHBondContact OD1-OH 2.6Å
270N96.4Very high94.8Very high0 Ų039.3 Ų39.30%021%0.211CC..PPolyproline II helixtrans-73.8152177.868.3-66.9000109.4V242 Q244 A261 N263 Y264 F268V242-N270 HydrophobicContact CG1-CB 4.39Å; Q244-N270 CarbonylContact O-C 3.51Å; Q244-N270 VanDerWaalsContact O-CA 3.29Å; Q244-N270 WeakPolarHBondContact O-CA 3.47Å; A261-N270 PolarHBondContact O-ND2 3.14Å; N263-N270 PolarHBondContact N-O 3.01Å; N263-N270 PolarHBondContact N-OD1 2.86Å; Y264-N270 VanDerWaalsContact CB-OD1 3.3Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.28Å; Y264-N270 PolarHBondContact N-OD1 2.62Å; F268-N270 HydrophobicContact CB-CB 4.45Å; F268-N270 WeakPolarHBondContact CB-OD1 3.46Å; F268-N270 PolarHBondContact O-N 3.48Å
271S96.8Very high94.7Very high6 Ų641.5 Ų41.54%0.04222%0.222CC..PPolyproline II helixtrans-79.8155.7165-50.70000109.7Q244 G246 I287 K289Q244-S271 PolarHBondContact O-N 3.07Å; G246-S271 WeakPolarHBondContact CA-O 3.4Å; G246-S271 PolarHBondContact N-O 3.08Å; G246-S271 VanDerWaalsContact N-O 3.15Å; S271-I287 VanDerWaalsContact CB-CG2 3.46Å; S271-K289 WeakPolarHBondContact OG-CD 3.2Å; S271-K289 PolarHBondContact OG-NZ 2.96Å
272A97.8Very high94.7Very high1 Ų149 Ų491%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-86148163.500000109.9F259 S260 P262 I287 L288F259-A272 CarbonylContact O-C 3.49Å; F259-A272 WeakPolarHBondContact O-CA 3.33Å; S260-A272 VanDerWaalsContact C-CB 3.41Å; S260-A272 WeakPolarHBondContact O-CB 3.32Å; P262-A272 HydrophobicContact CB-CB 3.79Å; P262-A272 HydrophobicContact CG-CB 4.05Å; A272-I287 CarbonylContact O-C 3.49Å; A272-I287 WeakPolarHBondContact O-CA 3.33Å; A272-L288 HydrophobicContact CB-CB 4.12Å; A272-L288 PolarHBondContact N-O 3.25Å; A272-L288 PolarHBondContact O-N 2.96Å
273G98.1Very high94.8Very high1 Ų151.5 Ų51.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-131.3153.9175.600000111.2G246 I258 F259 S260 T286G246-G273 WeakPolarHBondContact O-CA 3.35Å; I258-G273 VanDerWaalsContact CG2-O 3.26Å; I258-G273 WeakPolarHBondContact CG2-O 3.39Å; F259-G273 PolarHBondContact O-N 3.44Å; S260-G273 PolarHBondContact OG-O 2.92Å; G273-T286 CarbonylContact C-O 3.44Å; G273-T286 WeakPolarHBondContact CA-O 3.49Å
274V98.6Very high95Very high4 Ų457.7 Ų57.72%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-135.5155.6166.2-59.60000109.6V52 I53 C54 L67 I71 I285 T286V52-V274 HydrophobicContact CG1-CB 3.82Å; V52-V274 HydrophobicContact CG1-CG1 4.36Å; V52-V274 HydrophobicContact CG1-CG2 3.87Å; I53-V274 WeakPolarHBondContact O-CA 3.4Å; C54-V274 HydrophobicContact CB-CG1 4.49Å; L67-V274 HydrophobicContact CD1-CG1 3.8Å; L67-V274 HydrophobicContact CG-CG1 4.31Å; I71-V274 HydrophobicContact CD1-CB 4.17Å; I71-V274 HydrophobicContact CD1-CG1 3.73Å; I71-V274 HydrophobicContact CD1-CG2 3.48Å; I71-V274 VanDerWaalsContact CD1-CG2 3.48Å; I71-V274 HydrophobicContact CG1-CG2 4.19Å; V274-I285 WeakPolarHBondContact O-CA 3.39Å; V274-T286 HydrophobicContact CG2-CG2 4.42Å; V274-T286 PolarHBondContact N-O 3.39Å; V274-T286 PolarHBondContact O-N 2.96Å
275L98.7Very high95.2Very high0 Ų059.2 Ų59.20%030%0.297CS..EExtended strand (participates in β ladder)trans-106.8109.8173.9178.668.8000109.9V52 I53 M235 V237 V256 I258 V277 C283 I285V52-L275 WeakPolarHBondContact CA-O 3.23Å; I53-L275 HydrophobicContact CB-CB 4.33Å; I53-L275 HydrophobicContact CD1-CD2 4.18Å; I53-L275 PolarHBondContact N-O 2.91Å; I53-L275 PolarHBondContact O-N 3.49Å; M235-L275 HydrophobicContact SD-CD2 4.49Å; V237-L275 HydrophobicContact CB-CD2 4.38Å; V237-L275 HydrophobicContact CG1-CD2 3.75Å; V237-L275 HydrophobicContact CG2-CD2 3.64Å; V256-L275 HydrophobicContact CG1-CD2 3.95Å; I258-L275 HydrophobicContact CD1-CB 3.9Å; I258-L275 HydrophobicContact CG1-CB 4.16Å; L275-V277 HydrophobicContact CD2-CG2 4.18Å; L275-V277 HydrophobicContact CG-CG2 4.06Å; L275-C283 HydrophobicContact CD1-CB 3.77Å; L275-I285 HydrophobicContact CB-CD1 4.27Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å
276A98.6Very high95.7Very high15 Ų1557.4 Ų57.412%0.12429%0.285CS..EExtended strand (participates in β ladder)trans-86127169.400000109.8V52 R284V52-A276 HydrophobicContact CG2-CB 4.18Å; A276-R284 PolarHBondContact N-O 3.38Å; A276-R284 PolarHBondContact O-N 2.88Å
277V98.6Very high96.4Very high4 Ų457.7 Ų57.72%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-114.9123.7175.8-173.10000107.7A49 P50 V51 I53 L161 L275 L281A49-V277 HydrophobicContact CB-CG1 4.09Å; P50-V277 CarbonylContact C-O 3.56Å; P50-V277 WeakPolarHBondContact CA-O 3.38Å; P50-V277 WeakPolarHBondContact CB-O 3.46Å; V51-V277 HydrophobicContact CG1-CB 4.3Å; V51-V277 PolarHBondContact N-O 3.41Å; V51-V277 PolarHBondContact O-N 3.34Å; I53-V277 HydrophobicContact CD1-CG2 4.04Å; L161-V277 HydrophobicContact CD2-CG1 4.14Å; L161-V277 HydrophobicContact CD2-CG2 3.65Å; L275-V277 HydrophobicContact CD2-CG2 4.18Å; L275-V277 HydrophobicContact CG-CG2 4.06Å; V277-L281 HydrophobicContact CG1-CD2 3.97Å
278D98.2Very high97Very high43 Ų4350.9 Ų50.923%0.2324%0.242CC..  trans-92.418017871.713.7000113.1A49 E280 L281 R282A49-D278 WeakPolarHBondContact CB-O 3.39Å; D278-E280 PolarHBondContact O-N 3.24Å; D278-E280 WeakPolarHBondContact OD1-CA 3.1Å; D278-E280 PolarHBondContact OD1-N 2.86Å; D278-L281 WeakPolarHBondContact O-CA 3.35Å; D278-L281 PolarHBondContact O-N 3.34Å; D278-L281 PolarHBondContact OD1-N 3.5Å; D278-L281 VanDerWaalsContact OD1-N 3.13Å; D278-R282 PolarHBondContact N-O 3.42Å; D278-R282 WeakPolarHBondContact OD1-CB 3.4Å; D278-R282 PolarHBondContact OD1-N 2.79Å; D278-R282 IonicContact OD1-NE 3.67Å; D278-R282 WeakPolarHBondContact OD2-CB 3.05Å; D278-R282 IonicContact OD2-CZ 2.79Å; D278-R282 IonicContact OD2-NE 2.69Å; D278-R282 PolarHBondContact OD2-NE 3.31Å; D278-R282 IonicContact OD2-NH2 2.99Å; D278-R282 PolarHBondContact OD2-NH2 2.9Å
279Q97.4Very high97.3Very high142 Ų14252.3 Ų52.366%0.66425%0.248SC*.THydrogen-bonded Turntrans-62-24.9-178.1-70.9178.2-900113.2P50 L281P50-Q279 HydrophobicContact CG-CG 4.36Å; Q279-L281 VanDerWaalsContact C-N 3.29Å
280E97.8Very high97.3Very high118 Ų11848.7 Ų48.755%0.55123%0.23SC*.THydrogen-bonded Turntrans-92.111.6174.9-59.579-152.800112.5D278 R282D278-E280 PolarHBondContact O-N 3.24Å; D278-E280 WeakPolarHBondContact OD1-CA 3.1Å; D278-E280 PolarHBondContact OD1-N 2.86Å; E280-R282 HydrophobicContact CB-CG 4.28Å; E280-R282 PolarHBondContact O-N 2.76Å; E280-R282 IonicContact OE2-CZ 3.61Å; E280-R282 IonicContact OE2-NE 3.82Å; E280-R282 IonicContact OE2-NH2 2.83Å; E280-R282 PolarHBondContact OE2-NH2 3.31Å
281L97.2Very high96.9Very high48 Ų4850.8 Ų50.825%0.25124%0.242SC..  trans59.821.6-177.5-53179.3000114.4A49 R160 L161 V277 D278 Q279 C283A49-L281 HydrophobicContact CB-CD2 3.8Å; R160-L281 HydrophobicContact CB-CD1 3.77Å; R160-L281 HydrophobicContact CG-CD1 3.61Å; L161-L281 HydrophobicContact CD1-CD2 4.46Å; V277-L281 HydrophobicContact CG1-CD2 3.97Å; D278-L281 WeakPolarHBondContact O-CA 3.35Å; D278-L281 PolarHBondContact O-N 3.34Å; D278-L281 PolarHBondContact OD1-N 3.5Å; D278-L281 VanDerWaalsContact OD1-N 3.13Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; L281-C283 PolarHBondContact O-N 3.37Å
282R97.8Very high96.1Very high157 Ų15753.9 Ų53.959%0.59225%0.254SS*.  trans-72.9129.5172.5-58.5176.1-66.6-169.3-8.4108.8D278 E280D278-R282 PolarHBondContact N-O 3.42Å; D278-R282 WeakPolarHBondContact OD1-CB 3.4Å; D278-R282 PolarHBondContact OD1-N 2.79Å; D278-R282 IonicContact OD1-NE 3.67Å; D278-R282 WeakPolarHBondContact OD2-CB 3.05Å; D278-R282 IonicContact OD2-CZ 2.79Å; D278-R282 IonicContact OD2-NE 2.69Å; D278-R282 PolarHBondContact OD2-NE 3.31Å; D278-R282 IonicContact OD2-NH2 2.99Å; D278-R282 PolarHBondContact OD2-NH2 2.9Å; E280-R282 HydrophobicContact CB-CG 4.28Å; E280-R282 PolarHBondContact O-N 2.76Å; E280-R282 IonicContact OE2-CZ 3.61Å; E280-R282 IonicContact OE2-NE 3.82Å; E280-R282 IonicContact OE2-NH2 2.83Å; E280-R282 PolarHBondContact OE2-NH2 3.31Å
283C98Very high94.5Very high54 Ų5462.2 Ų62.237%0.36529%0.292SS..EExtended strand (participates in β ladder)trans-95.4123.3-176.8-760000110.6L275 L281L275-C283 HydrophobicContact CD1-CB 3.77Å; L281-C283 PolarHBondContact O-N 3.37Å
284R97.9Very high92.3Very high157 Ų15768 Ų6859%0.59233%0.328SS*.EExtended strand (participates in β ladder)trans-125.9120.3175.3-176.5175.365.384.12.6110.7A276 T286A276-R284 PolarHBondContact N-O 3.38Å; A276-R284 PolarHBondContact O-N 2.88Å; R284-T286 PolarHBondContact NH1-OG1 3Å
285I98.4Very high89.9Confident39 Ų3973.9 Ų73.920%0.236%0.355CS..EExtended strand (participates in β ladder)trans-77.2133.1171.5-58-64000109.8Y247 F249 V256 I258 V274 L275 I287Y247-I285 HydrophobicContact CD1-CG2 3.57Å; Y247-I285 HydrophobicContact CD2-CD1 4.21Å; Y247-I285 HydrophobicContact CD2-CG1 3.92Å; Y247-I285 HydrophobicContact CD2-CG2 4.45Å; Y247-I285 HydrophobicContact CE1-CG2 3.97Å; Y247-I285 HydrophobicContact CE2-CG1 4.26Å; Y247-I285 HydrophobicContact CG-CD1 4.15Å; Y247-I285 HydrophobicContact CG-CG1 4.05Å; Y247-I285 HydrophobicContact CG-CG2 3.82Å; F249-I285 HydrophobicContact CZ-CG1 4.47Å; V256-I285 HydrophobicContact CG2-CD1 4.42Å; I258-I285 HydrophobicContact CD1-CD1 3.71Å; V274-I285 WeakPolarHBondContact O-CA 3.39Å; L275-I285 HydrophobicContact CB-CD1 4.27Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å; I285-I287 HydrophobicContact CG2-CG1 4.03Å
286T97.6Very high87.4Confident17 Ų1777.2 Ų77.210%0.10437%0.371CS..EExtended strand (participates in β ladder)trans-117.1132.4169.4-59.90000108.5Y70 I71 G273 V274 R284Y70-T286 HydrophobicContact CD1-CG2 3.93Å; Y70-T286 HydrophobicContact CE1-CG2 3.45Å; Y70-T286 VanDerWaalsContact CE1-CG2 3.45Å; I71-T286 HydrophobicContact CG1-CG2 4.44Å; G273-T286 CarbonylContact C-O 3.44Å; G273-T286 WeakPolarHBondContact CA-O 3.49Å; V274-T286 HydrophobicContact CG2-CG2 4.42Å; V274-T286 PolarHBondContact N-O 3.39Å; V274-T286 PolarHBondContact O-N 2.96Å; R284-T286 PolarHBondContact NH1-OG1 3Å
287I97.7Very high84.7Confident57 Ų5781 Ų8129%0.29240%0.396SS..EExtended strand (participates in β ladder)trans-112.5129.6-174.1-57.8175.2000109.3Y247 S271 A272 I285Y247-I287 HydrophobicContact CD1-CD1 4.49Å; Y247-I287 HydrophobicContact CE1-CD1 4Å; S271-I287 VanDerWaalsContact CB-CG2 3.46Å; A272-I287 CarbonylContact O-C 3.49Å; A272-I287 WeakPolarHBondContact O-CA 3.33Å; I285-I287 HydrophobicContact CG2-CG1 4.03Å
288L95.6Very high82.2Confident19 Ų1985.9 Ų85.910%0.09942%0.422CS..EExtended strand (participates in β ladder)trans-106.5119.6170.8-178.569.2000109.2R66 L67 Y70 A272R66-L288 HydrophobicContact CB-CD2 4.23Å; L67-L288 HydrophobicContact CB-CD2 4.3Å; Y70-L288 HydrophobicContact CD1-CD1 4.23Å; Y70-L288 HydrophobicContact CG-CD1 4.12Å; A272-L288 HydrophobicContact CB-CB 4.12Å; A272-L288 PolarHBondContact N-O 3.25Å; A272-L288 PolarHBondContact O-N 2.96Å
289K94.8Very high79.6Confident123 Ų12391.5 Ų91.554%0.53545%0.447SS..  trans-76.3147.7179.4-67.7-65.2177.4-172.40111.6R66 S271R66-K289 PolarHBondContact NH2-O 3.36Å; S271-K289 WeakPolarHBondContact OG-CD 3.2Å; S271-K289 PolarHBondContact OG-NZ 2.96Å
290P92.2Very high77.2Confident17 Ų1787.3 Ų87.311%0.1143%0.434CS..  trans-61.3149.3173.728.5-35.4000111P262 N263 Y292P262-P290 HydrophobicContact CB-CB 4.26Å; N263-P290 HydrophobicContact CB-CB 3.62Å; P290-Y292 HydrophobicContact CB-CE2 4.23Å; P290-Y292 HydrophobicContact CG-CE2 3.95Å; P290-Y292 VanDerWaalsContact CG-OH 3.3Å; P290-Y292 WeakPolarHBondContact CG-OH 3.38Å
291T87Confident74.6Confident44 Ų4488.7 Ų88.727%0.2744%0.44SS..  trans-110.3134.2166.448.90000108.2R66 Q296R66-T291 PolarHBondContact NH1-OG1 2.91Å; R66-T291 VanDerWaalsContact NH1-OG1 3.12Å; R66-T291 VanDerWaalsContact NH2-CG2 3.25Å; T291-Q296 PolarHBondContact OG1-NE2 2.8Å; T291-Q296 VanDerWaalsContact OG1-NE2 3.16Å
292Y79.7Confident71.8Confident72 Ų7292 Ų9228%0.28245%0.452SS..  trans-98.1149.5178-63.1-74.3000110.5N269 P290 T294 E295 Q296N269-Y292 VanDerWaalsContact CG-OH 3.24Å; N269-Y292 PolarHBondContact OD1-OH 2.6Å; P290-Y292 HydrophobicContact CB-CE2 4.23Å; P290-Y292 HydrophobicContact CG-CE2 3.95Å; P290-Y292 VanDerWaalsContact CG-OH 3.3Å; P290-Y292 WeakPolarHBondContact CG-OH 3.38Å; Y292-T294 PolarHBondContact O-N 3.35Å; Y292-T294 VanDerWaalsContact O-N 3.08Å; Y292-E295 WeakPolarHBondContact O-CA 3.37Å; Y292-E295 WeakPolarHBondContact O-CB 3.26Å; Y292-E295 PolarHBondContact O-N 3.38Å; Y292-Q296 PolarHBondContact O-N 3.21Å
293E63.9Low69.5Low175 Ų17587.5 Ų87.582%0.81845%0.448SS*.Hα-helixtrans-56.1-28.1179.1-68.8-175.8165.900112.5E295 Q296E293-E295 PolarHBondContact O-N 3.43Å; E293-Q296 PolarHBondContact O-N 2.99Å; E293-Q296 VanDerWaalsContact O-N 3.15Å
294T52.1Low67Low124 Ų12488.6 Ų88.676%0.76146%0.462SS*.Hα-helixtrans-66.9-17173.851.90000114.2Y292Y292-T294 PolarHBondContact O-N 3.35Å; Y292-T294 VanDerWaalsContact O-N 3.08Å
295E49.2Very low64.4Low127 Ų12789 Ų8959%0.59347%0.468SS*.Hα-helixtrans-97.8-13.1174.9-61.2178.1160.100112.1Y292 E293Y292-E295 WeakPolarHBondContact O-CA 3.37Å; Y292-E295 WeakPolarHBondContact O-CB 3.26Å; Y292-E295 PolarHBondContact O-N 3.38Å; E293-E295 PolarHBondContact O-N 3.43Å
296Q45.3Very low61.6Low70 Ų7094.9 Ų94.933%0.32750%0.495SS..Hα-helixtrans-93-4.7-175.9-67.7-170.61.600114.2T291 Y292 E293 D298T291-Q296 PolarHBondContact OG1-NE2 2.8Å; T291-Q296 VanDerWaalsContact OG1-NE2 3.16Å; Y292-Q296 PolarHBondContact O-N 3.21Å; E293-Q296 PolarHBondContact O-N 2.99Å; E293-Q296 VanDerWaalsContact O-N 3.15Å; Q296-D298 VanDerWaalsContact C-N 3.25Å; Q296-D298 PolarHBondContact O-N 3.47Å
297S43.2Very low58.7Low93 Ų93103.2 Ų103.265%0.6553%0.53SS*.THydrogen-bonded Turntrans-72.2-7.1-174.465.10000115.4
298D45.7Very low56Low107 Ų107110 Ų11057%0.57257%0.567SS**THydrogen-bonded Turntrans-132.8-25.1-177.4-92.4-48.8000119.3Q296 K302Q296-D298 VanDerWaalsContact C-N 3.25Å; Q296-D298 PolarHBondContact O-N 3.47Å; D298-K302 WeakPolarHBondContact O-CD 3.43Å; D298-K302 PolarHBondContact O-NZ 2.79Å; D298-K302 IonicContact OD1-NZ 3.59Å
299E44.3Very low54Low161 Ų161114.6 Ų114.675%0.75259%0.59SS**THydrogen-bonded Turntrans-121.3-37.5-172.3-69.9-169.6157.600116K302 A303E299-K302 PolarHBondContact O-N 3.04Å; E299-A303 PolarHBondContact O-N 3.35Å; E299-A303 VanDerWaalsContact O-N 3.17Å
300S46.4Very low51.9Low55 Ų55114.2 Ų114.239%0.38559%0.593SS.*Hα-helixtrans-73.2-36.2-173.158.80000113.6K302 A303 A304S300-K302 PolarHBondContact O-N 2.98Å; S300-A303 PolarHBondContact O-N 2.68Å; S300-A304 PolarHBondContact O-N 3.09Å
301Q42Very low49.6Very low146 Ų146119.6 Ų119.668%0.68262%0.62SS**Hα-helixtrans-68.4-20.2173.5-68.2-169-0.600112.7F305Q301-F305 WeakPolarHBondContact O-CD2 3.4Å
302K39.6Very low47.4Very low118 Ų118124 Ų12451%0.51364%0.64SS.*Hα-helixtrans-85.5-35.9176-69.3176-169.51390112D298 E299 S300 F305 Q306D298-K302 WeakPolarHBondContact O-CD 3.43Å; D298-K302 PolarHBondContact O-NZ 2.79Å; D298-K302 IonicContact OD1-NZ 3.59Å; E299-K302 PolarHBondContact O-N 3.04Å; S300-K302 PolarHBondContact O-N 2.98Å; K302-F305 PolarHBondContact O-N 3.48Å; K302-Q306 WeakPolarHBondContact O-CG 3.48Å; K302-Q306 PolarHBondContact O-N 2.91Å
303A48.8Very low45.4Very low62 Ų62127.3 Ų127.351%0.51266%0.663SS.*Hα-helixtrans-70.4-37.5-178.400000113.4E299 S300 F305 Q306E299-A303 PolarHBondContact O-N 3.35Å; E299-A303 VanDerWaalsContact O-N 3.17Å; S300-A303 PolarHBondContact O-N 2.68Å; A303-F305 VanDerWaalsContact C-N 3.26Å; A303-F305 PolarHBondContact O-N 3.06Å; A303-Q306 PolarHBondContact O-N 2.76Å
304A46.9Very low44.2Very low78 Ų78124.1 Ų124.165%0.64565%0.652SS**Hα-helixtrans-67.8-25.1177.200000113.2S300S300-A304 PolarHBondContact O-N 3.09Å
305F42.5Very low43.6Very low166 Ų166124.1 Ų124.173%0.72864%0.644SS**Hα-helixtrans-91.2-18.9180-80.4-95.9000113.9Q301 K302 A303Q301-F305 WeakPolarHBondContact O-CD2 3.4Å; K302-F305 PolarHBondContact O-N 3.48Å; A303-F305 VanDerWaalsContact C-N 3.26Å; A303-F305 PolarHBondContact O-N 3.06Å
306Q40.3Very low43.2Very low162 Ų162123.8 Ų123.876%0.75765%0.648SS**Hα-helixtrans-96.2-3.8-175-75.5-172.4-700115.5K302 A303K302-Q306 WeakPolarHBondContact O-CG 3.48Å; K302-Q306 PolarHBondContact O-N 2.91Å; A303-Q306 PolarHBondContact O-N 2.76Å
307K36.8Very low43Very low192 Ų192128.3 Ų128.384%0.83568%0.675SS**  trans-99.865.9168.1-70.6-174.2-179.5176.50110.7
308N39.7Very low43Very low200 Ų200131.5 Ų131.5100%1.0768%0.677SS**  trans-129.50160.4-83.6-56.1000109.2

Retrieved 308 of 308 residues in 501.4 ms (Link to these results)

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