A0A061ILQ2_CRIGR Loading...

Alpha-tubulin N-acetyltransferase 1

Specifically acetylates 'Lys-40' in alpha-tubulin on the lumenal side of microtubules. Promotes microtubule destabilization and accelerates microtubule dynamics; this activity may be independent of acetylation activity. Acetylates alpha-tubulin with a slow enzymatic rate, due to a catalytic site that is not optimized for acetyl transfer. Enters the microtubule through each end and diffuses quickly throughout the lumen of microtubules. Acetylates only long/old microtubules because of its slow acetylation rate since it does not have time to act on dynamically unstable microtubules before the enzyme is released. Required for normal sperm flagellar function. Promotes directional cell locomotion and chemotaxis, through AP2A2-dependent acetylation of alpha-tubulin at clathrin-coated pits that are concentrated at the leading edge of migrating cells. May facilitate primary cilium assembly.

AlphaFold DB , UniProt , Accession A0A061ILQ2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Atat1, Length 416 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
1M90.6Very high91.3Very high47 Ų4749.5 Ų49.523%0.23227%0.268CS..  0134.70-64.717666.100109.1F3 E49 L50 A53 A92 I93 Y125 H127M1-F3 HydrophobicContact CB-CE2 4.28Å; M1-F3 HydrophobicContact CE-CZ 4.5Å; M1-E49 HydrophobicContact CE-CB 4.06Å; M1-L50 HydrophobicContact CE-CD2 4.46Å; M1-L50 HydrophobicContact SD-CD2 3.74Å; M1-A53 HydrophobicContact CE-CB 4.02Å; M1-A53 HydrophobicContact SD-CB 3.99Å; M1-A92 CarbonylContact O-C 3.48Å; M1-A92 WeakPolarHBondContact O-CA 3.16Å; M1-I93 PolarHBondContact N-O 3.43Å; M1-I93 PolarHBondContact O-N 3.22Å; M1-Y125 HydrophobicContact SD-CE1 4.15Å; M1-H127 VanDerWaalsContact CG-CD2 3.41Å; M1-H127 WeakPolarHBondContact CG-CD2 3.5Å
2E91.9Very high91.2Very high169 Ų16950 Ų5079%0.7928%0.275SS*.  trans-112.3161.8179.9-64.2179.7-179.700110.4A92E2-A92 HydrophobicContact CG-CB 4.41Å
3F93.3Very high91.3Very high22 Ų2255.9 Ų55.910%0.09630%0.3CS..  trans-137.8157.7-175.4-70.4-86.4000110.7M1 F5 V7 I46 E49 I93M1-F3 HydrophobicContact CB-CE2 4.28Å; M1-F3 HydrophobicContact CE-CZ 4.5Å; F3-F5 HydrophobicContact CB-CD2 4.07Å; F3-F5 HydrophobicContact CB-CE1 4.22Å; F3-F5 HydrophobicContact CB-CE2 3.63Å; F3-F5 HydrophobicContact CB-CZ 3.72Å; F3-F5 HydrophobicContact CD1-CE2 4.41Å; F3-F5 AromaticContact CD1-CZ 3.87Å; F3-F5 HydrophobicContact CD1-CZ 3.87Å; F3-F5 HydrophobicContact CG-CE2 4.08Å; F3-F5 AromaticContact CG-CZ 3.99Å; F3-F5 HydrophobicContact CG-CZ 3.99Å; F3-F5 PolarHBondContact O-N 3.34Å; F3-F5 VanDerWaalsContact O-N 3.11Å; F3-V7 HydrophobicContact CB-CG2 4.01Å; F3-V7 HydrophobicContact CD2-CG2 3.97Å; F3-V7 HydrophobicContact CG-CG2 4.39Å; F3-I46 HydrophobicContact CD1-CG1 3.97Å; F3-I46 HydrophobicContact CD2-CG1 4.07Å; F3-I46 HydrophobicContact CE1-CB 4.28Å; F3-I46 HydrophobicContact CE1-CG1 3.82Å; F3-I46 HydrophobicContact CE2-CG1 3.93Å; F3-I46 HydrophobicContact CE2-CG2 4.32Å; F3-I46 HydrophobicContact CG-CG1 4.1Å; F3-I46 HydrophobicContact CZ-CB 4.1Å; F3-I46 HydrophobicContact CZ-CG1 3.81Å; F3-I46 HydrophobicContact CZ-CG2 4.1Å; F3-E49 HydrophobicContact CE1-CB 3.96Å; F3-E49 HydrophobicContact CE1-CG 4.06Å; F3-E49 HydrophobicContact CZ-CB 4.2Å; F3-I93 HydrophobicContact CD2-CG1 4.33Å; F3-I93 HydrophobicContact CE2-CB 4.33Å; F3-I93 HydrophobicContact CE2-CG1 3.8Å
4P92.2Very high91.5Very high105 Ų10556.4 Ų56.468%0.68230%0.295SS*.SBendtrans-68.2-9.9-176.724.8-32.7000114.4K90P4-K90 PolarHBondContact O-NZ 3.44Å
5F91.3Very high91.9Very high32 Ų3253.6 Ų53.614%0.1428%0.28CS..SBendtrans-119.1168.6-178.445.4-102.1000111.7F3 V7 L10 Q42 T45 I46F3-F5 HydrophobicContact CB-CD2 4.07Å; F3-F5 HydrophobicContact CB-CE1 4.22Å; F3-F5 HydrophobicContact CB-CE2 3.63Å; F3-F5 HydrophobicContact CB-CZ 3.72Å; F3-F5 HydrophobicContact CD1-CE2 4.41Å; F3-F5 AromaticContact CD1-CZ 3.87Å; F3-F5 HydrophobicContact CD1-CZ 3.87Å; F3-F5 HydrophobicContact CG-CE2 4.08Å; F3-F5 AromaticContact CG-CZ 3.99Å; F3-F5 HydrophobicContact CG-CZ 3.99Å; F3-F5 PolarHBondContact O-N 3.34Å; F3-F5 VanDerWaalsContact O-N 3.11Å; F5-V7 HydrophobicContact CE2-CG2 4.47Å; F5-V7 PolarHBondContact O-N 3.11Å; F5-L10 HydrophobicContact CE2-CD2 4.2Å; F5-Q42 HydrophobicContact CB-CG 4.42Å; F5-Q42 HydrophobicContact CD1-CB 4.31Å; F5-Q42 HydrophobicContact CD1-CG 3.69Å; F5-Q42 HydrophobicContact CD2-CB 4.09Å; F5-Q42 HydrophobicContact CD2-CG 4.03Å; F5-Q42 HydrophobicContact CE1-CB 4.07Å; F5-Q42 HydrophobicContact CE1-CG 3.87Å; F5-Q42 HydrophobicContact CE2-CB 3.84Å; F5-Q42 HydrophobicContact CE2-CG 4.21Å; F5-Q42 HydrophobicContact CG-CB 4.32Å; F5-Q42 HydrophobicContact CG-CG 3.76Å; F5-Q42 HydrophobicContact CZ-CB 3.82Å; F5-Q42 HydrophobicContact CZ-CG 4.12Å; F5-T45 HydrophobicContact CE1-CG2 4.5Å; F5-I46 HydrophobicContact CE2-CD1 3.75Å; F5-I46 HydrophobicContact CE2-CG1 3.95Å; F5-I46 HydrophobicContact CZ-CD1 4.22Å; F5-I46 HydrophobicContact CZ-CG1 3.95Å
6D90.6Very high92.2Very high75 Ų7550.8 Ų50.840%0.40127%0.266SS..  trans-75.8106.2-178.3-175.6-11.1000112.1D8 A9 L10D6-D8 PolarHBondContact OD1-N 3.47Å; D6-A9 HydrophobicContact CB-CB 4.12Å; D6-A9 VanDerWaalsContact CG-CB 3.43Å; D6-A9 PolarHBondContact OD1-N 3.22Å; D6-A9 VanDerWaalsContact OD2-CB 3.3Å; D6-A9 WeakPolarHBondContact OD2-CB 3.41Å; D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 PolarHBondContact O-N 3.25Å
7V92Very high92.6Very high0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-76.3-32.2177.9-176.70000111.6F3 F5 L10 F11 K81 K90 I93F3-V7 HydrophobicContact CB-CG2 4.01Å; F3-V7 HydrophobicContact CD2-CG2 3.97Å; F3-V7 HydrophobicContact CG-CG2 4.39Å; F5-V7 HydrophobicContact CE2-CG2 4.47Å; F5-V7 PolarHBondContact O-N 3.11Å; V7-L10 PolarHBondContact O-N 3.43Å; V7-F11 HydrophobicContact CG1-CD2 4.23Å; V7-F11 PolarHBondContact O-N 3.45Å; V7-K81 HydrophobicContact CG1-CD 4.26Å; V7-K81 HydrophobicContact CG1-CG 4.21Å; V7-K90 WeakPolarHBondContact CA-O 3.38Å; V7-K90 VanDerWaalsContact CB-O 3.28Å; V7-K90 WeakPolarHBondContact CB-O 3.48Å; V7-K90 PolarHBondContact N-O 2.98Å; V7-I93 HydrophobicContact CG1-CD1 3.43Å; V7-I93 VanDerWaalsContact CG1-CD1 3.43Å; V7-I93 HydrophobicContact CG1-CG1 4.05Å
8D89.5Confident92.9Very high58 Ų5848.8 Ų48.831%0.3126%0.259SS..Hα-helixtrans-68.2-40.4178.1-88.7-50.6000111.5D6 F11 K81 G91D6-D8 PolarHBondContact OD1-N 3.47Å; D8-F11 CarbonylContact O-C 3.52Å; D8-K81 WeakPolarHBondContact OD1-CD 3.16Å; D8-K81 WeakPolarHBondContact OD1-CE 3.38Å; D8-K81 IonicContact OD1-NZ 3.96Å; D8-K81 PolarHBondContact OD1-NZ 3.25Å; D8-G91 WeakPolarHBondContact OD2-CA 3.3Å; D8-G91 PolarHBondContact OD2-N 3.19Å; D8-G91 VanDerWaalsContact OD2-N 3.09Å
9A88.6Confident93.1Very high33 Ų3349.4 Ų49.427%0.27326%0.262SS..Hα-helixtrans-69.1-37.4170.800000112.2D6 R27D6-A9 HydrophobicContact CB-CB 4.12Å; D6-A9 VanDerWaalsContact CG-CB 3.43Å; D6-A9 PolarHBondContact OD1-N 3.22Å; D6-A9 VanDerWaalsContact OD2-CB 3.3Å; D6-A9 WeakPolarHBondContact OD2-CB 3.41Å; A9-R27 PolarHBondContact O-NE 3.21Å; A9-R27 PolarHBondContact O-NH2 2.86Å
10L91.6Very high93.3Very high3 Ų349.9 Ų49.92%0.01626%0.263CS..Hα-helixtrans-69.3-43.8-179.1-174.164.9000112.3F5 D6 V7 P25 L39 Q42 I43 I46F5-L10 HydrophobicContact CE2-CD2 4.2Å; D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 3.43Å; L10-P25 WeakPolarHBondContact O-CD 3.29Å; L10-L39 HydrophobicContact CD1-CB 4.06Å; L10-L39 HydrophobicContact CD1-CD2 3.9Å; L10-Q42 HydrophobicContact CD2-CB 3.82Å; L10-I43 HydrophobicContact CD1-CD1 4.3Å; L10-I43 HydrophobicContact CD1-CG1 4.08Å; L10-I43 HydrophobicContact CD2-CG1 3.99Å; L10-I43 HydrophobicContact CG-CG1 4.19Å; L10-I46 HydrophobicContact CD2-CD1 3.52Å
11F92.9Very high93.4Very high1 Ų151.4 Ų51.40%0.00427%0.268CS..  trans-119.788.9179.3-64.1-27.3000109.1V7 D8 E13 T16 L18 P25 I43 I46 I79 K81 I93V7-F11 HydrophobicContact CG1-CD2 4.23Å; V7-F11 PolarHBondContact O-N 3.45Å; D8-F11 CarbonylContact O-C 3.52Å; F11-E13 VanDerWaalsContact C-N 3.34Å; F11-E13 PolarHBondContact O-N 2.78Å; F11-T16 WeakPolarHBondContact CB-OG1 3.37Å; F11-T16 HydrophobicContact CD1-CG2 3.7Å; F11-T16 HydrophobicContact CE1-CG2 3.94Å; F11-T16 HydrophobicContact CG-CG2 4.31Å; F11-L18 HydrophobicContact CE1-CD1 4.28Å; F11-L18 HydrophobicContact CZ-CD1 4.14Å; F11-P25 HydrophobicContact CD1-CG 4.12Å; F11-I43 HydrophobicContact CE1-CD1 4.06Å; F11-I43 HydrophobicContact CE1-CG1 3.8Å; F11-I43 HydrophobicContact CZ-CG1 4.02Å; F11-I46 HydrophobicContact CE2-CD1 3.74Å; F11-I46 HydrophobicContact CE2-CG2 4.32Å; F11-I46 HydrophobicContact CZ-CD1 4.02Å; F11-I79 HydrophobicContact CD2-CG2 4.48Å; F11-I79 HydrophobicContact CE2-CD1 3.89Å; F11-I79 HydrophobicContact CE2-CG2 4.13Å; F11-I79 HydrophobicContact CZ-CD1 3.86Å; F11-K81 HydrophobicContact CB-CD 4.33Å; F11-K81 WeakPolarHBondContact O-CD 3.16Å; F11-K81 VanDerWaalsContact O-CE 3.3Å; F11-K81 WeakPolarHBondContact O-CE 3.44Å; F11-K81 PolarHBondContact O-NZ 3.23Å; F11-I93 HydrophobicContact CD2-CD1 3.87Å; F11-I93 HydrophobicContact CE2-CD1 4.08Å
12P89.4Confident93.6Very high55 Ų5549.1 Ų49.136%0.35726%0.257SS..  trans-64-41.3-178.624.3-32.7000111.6P25 K81P12-P25 HydrophobicContact CG-CB 4.3Å; P12-K81 PolarHBondContact O-NZ 3.28Å
13E92.5Very high93.5Very high127 Ų12747.7 Ų47.759%0.59324%0.244SC*.SBendtrans-75147.6179.8-60.6-53.6137.800112.8F11 I15F11-E13 VanDerWaalsContact C-N 3.34Å; F11-E13 PolarHBondContact O-N 2.78Å; E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.11Å
14R94.8Very high93.3Very high63 Ų6348 Ų4824%0.23825%0.249CC..SBendtrans-62.1-37.3177.2-177167.3167.975.116112.8L80 K81 D82 T83 H135 E138R14-L80 HydrophobicContact CG-CD1 4.05Å; R14-K81 PolarHBondContact NH1-O 3.12Å; R14-K81 PolarHBondContact O-N 3.37Å; R14-D82 IonicContact NH1-OD1 3.02Å; R14-T83 HydrophobicContact CB-CG2 3.82Å; R14-T83 HydrophobicContact CG-CG2 3.85Å; R14-T83 PolarHBondContact NH1-OG1 2.98Å; R14-H135 PolarHBondContact NH2-ND1 2.89Å; R14-E138 IonicContact CZ-OE1 3.92Å; R14-E138 VanDerWaalsContact CZ-OE1 3.28Å; R14-E138 IonicContact CZ-OE2 2.67Å; R14-E138 IonicContact NE-OE1 3.98Å; R14-E138 PolarHBondContact NE-OE1 3.34Å; R14-E138 VanDerWaalsContact NH2-CD 3.35Å; R14-E138 IonicContact NH2-OE1 3.87Å; R14-E138 PolarHBondContact NH2-OE1 3.12Å; R14-E138 IonicContact NH2-OE2 2.68Å; R14-E138 PolarHBondContact NH2-OE2 3.37Å
15I97.4Very high93Very high14 Ų1444.8 Ų44.87%0.07223%0.227CC..EExtended strand (participates in β ladder)trans-118.4116.4169.7-63.2172.7000108E13 Y78 I79 L80 E138 L139 Y142E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.11Å; I15-Y78 HydrophobicContact CG2-CD1 4.29Å; I15-I79 WeakPolarHBondContact CA-O 3.49Å; I15-L80 HydrophobicContact CD1-CD1 4.15Å; I15-L80 HydrophobicContact CG1-CD1 3.58Å; I15-E138 HydrophobicContact CD1-CG 4.36Å; I15-L139 HydrophobicContact CD1-CD1 3.95Å; I15-L139 HydrophobicContact CG1-CD1 4.06Å; I15-L139 HydrophobicContact CG2-CD1 3.8Å; I15-Y142 HydrophobicContact CB-CD1 4.38Å; I15-Y142 HydrophobicContact CB-CD2 4.31Å; I15-Y142 HydrophobicContact CB-CE1 4.28Å; I15-Y142 HydrophobicContact CB-CE2 4.2Å; I15-Y142 HydrophobicContact CB-CG 4.39Å; I15-Y142 HydrophobicContact CD1-CD1 4.33Å; I15-Y142 HydrophobicContact CD1-CD2 3.71Å; I15-Y142 HydrophobicContact CD1-CE2 4.4Å; I15-Y142 HydrophobicContact CD1-CG 3.65Å; I15-Y142 HydrophobicContact CG2-CD1 3.68Å; I15-Y142 HydrophobicContact CG2-CD2 4.48Å; I15-Y142 HydrophobicContact CG2-CE1 3.68Å; I15-Y142 HydrophobicContact CG2-CE2 4.47Å; I15-Y142 HydrophobicContact CG2-CG 4.09Å
16T97.3Very high92.4Very high8 Ų848 Ų485%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-101.8132.5174.2-67.10000109.7F11 L18 P25 I79F11-T16 WeakPolarHBondContact CB-OG1 3.37Å; F11-T16 HydrophobicContact CD1-CG2 3.7Å; F11-T16 HydrophobicContact CE1-CG2 3.94Å; F11-T16 HydrophobicContact CG-CG2 4.31Å; T16-L18 HydrophobicContact CG2-CD2 4.04Å; T16-L18 HydrophobicContact CG2-CG 4.15Å; T16-P25 HydrophobicContact CG2-CG 3.71Å; T16-I79 PolarHBondContact N-O 3.02Å; T16-I79 PolarHBondContact O-N 3.19Å
17V98.2Very high91.6Very high61 Ų6147.4 Ų47.437%0.3725%0.252SS..EExtended strand (participates in β ladder)trans-102.7128.7177.3-168.60000108.9V76 Y78 Y142V17-V76 HydrophobicContact CG1-CG1 3.46Å; V17-V76 VanDerWaalsContact CG1-CG1 3.46Å; V17-Y78 HydrophobicContact CB-CD1 4.47Å; V17-Y78 HydrophobicContact CB-CE1 4.36Å; V17-Y78 HydrophobicContact CG1-CD1 4.25Å; V17-Y78 HydrophobicContact CG1-CE1 3.86Å; V17-Y78 HydrophobicContact CG2-CD1 3.67Å; V17-Y78 HydrophobicContact CG2-CE1 3.57Å; V17-Y142 HydrophobicContact CG2-CE1 3.81Å
18L97.8Very high90.6Very high6 Ų657.9 Ų57.93%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-127.8144.5177.7-58.6171000110.6F11 T16 L22 R23 I43 L47 V76 V77 I79F11-L18 HydrophobicContact CE1-CD1 4.28Å; F11-L18 HydrophobicContact CZ-CD1 4.14Å; T16-L18 HydrophobicContact CG2-CD2 4.04Å; T16-L18 HydrophobicContact CG2-CG 4.15Å; L18-L22 HydrophobicContact CB-CD2 4.49Å; L18-R23 WeakPolarHBondContact CD2-O 3.3Å; L18-I43 HydrophobicContact CD1-CG2 3.52Å; L18-I43 HydrophobicContact CD2-CD1 4.45Å; L18-L47 HydrophobicContact CD1-CD1 4.44Å; L18-V76 WeakPolarHBondContact O-CA 3.3Å; L18-V77 HydrophobicContact CB-CG1 3.82Å; L18-V77 PolarHBondContact N-O 2.9Å; L18-V77 PolarHBondContact O-N 2.85Å; L18-I79 HydrophobicContact CD1-CD1 3.73Å
19D97.1Very high89.5Confident60 Ų6061.6 Ų61.632%0.32132%0.319SS..  trans-112.8-173.1176.768.5-1.1000111.2H21 L22D19-H21 PolarHBondContact O-N 3.36Å; D19-H21 WeakPolarHBondContact OD1-CA 3.43Å; D19-H21 VanDerWaalsContact OD1-CB 3.3Å; D19-H21 WeakPolarHBondContact OD1-CB 3.45Å; D19-H21 IonicContact OD1-CD2 3.93Å; D19-H21 IonicContact OD1-CG 2.68Å; D19-H21 PolarHBondContact OD1-N 3.13Å; D19-H21 IonicContact OD2-CD2 3.33Å; D19-H21 PolarHBondContact OD2-CD2 3.45Å; D19-L22 WeakPolarHBondContact O-CD2 3.3Å; D19-L22 PolarHBondContact O-N 2.86Å
20Q96.5Very high88.4Confident59 Ų5964 Ų6428%0.27635%0.347SS..THydrogen-bonded Turntrans-48.7-22.3172.269.1-176.316.700115.3M70Q20-M70 WeakPolarHBondContact CA-O 3.38Å; Q20-M70 WeakPolarHBondContact CB-O 3.34Å
21H95.9Very high87.3Confident81 Ų8168.1 Ų68.138%0.37537%0.372SS..THydrogen-bonded Turntrans-89.2-8.9-178.2-59.8-61.7000113.4D19 R23 Q40D19-H21 PolarHBondContact O-N 3.36Å; D19-H21 WeakPolarHBondContact OD1-CA 3.43Å; D19-H21 VanDerWaalsContact OD1-CB 3.3Å; D19-H21 WeakPolarHBondContact OD1-CB 3.45Å; D19-H21 IonicContact OD1-CD2 3.93Å; D19-H21 IonicContact OD1-CG 2.68Å; D19-H21 PolarHBondContact OD1-N 3.13Å; D19-H21 IonicContact OD2-CD2 3.33Å; D19-H21 PolarHBondContact OD2-CD2 3.45Å; H21-R23 HydrophobicContact CB-CG 3.73Å; H21-R23 PolarHBondContact CD2-NH2 3.39Å; H21-R23 PolarHBondContact O-N 3.44Å; H21-R23 VanDerWaalsContact O-N 3.1Å; H21-Q40 PolarHBondContact O-NE2 3.45Å
22L94.4Very high86Confident0 Ų074.6 Ų74.60%041%0.412CS..  trans46.241.9177.2-59-176.8000113.4L18 D19 Q40 I43 M44 L47 A67 M70 Q71L18-L22 HydrophobicContact CB-CD2 4.49Å; D19-L22 WeakPolarHBondContact O-CD2 3.3Å; D19-L22 PolarHBondContact O-N 2.86Å; L22-Q40 HydrophobicContact CB-CG 4.45Å; L22-I43 HydrophobicContact CB-CG2 4.28Å; L22-I43 HydrophobicContact CD2-CG2 4.34Å; L22-M44 HydrophobicContact CD1-CG 3.7Å; L22-L47 HydrophobicContact CD1-CD1 4.3Å; L22-L47 HydrophobicContact CD2-CD1 3.35Å; L22-L47 HydrophobicContact CG-CD1 4.48Å; L22-A67 HydrophobicContact CD1-CB 4.17Å; L22-M70 HydrophobicContact CD2-CB 4.18Å; L22-Q71 HydrophobicContact CD1-CG 3.79Å; L22-Q71 HydrophobicContact CG-CG 4.23Å
23R91.3Very high84.7Confident138 Ų13876.4 Ų76.452%0.52142%0.422SS..PPolyproline II helixtrans-74.3129.7-174.1-61.4178.3-171.9-1756.5110.2L18 H21L18-R23 WeakPolarHBondContact CD2-O 3.3Å; H21-R23 HydrophobicContact CB-CG 3.73Å; H21-R23 PolarHBondContact CD2-NH2 3.39Å; H21-R23 PolarHBondContact O-N 3.44Å; H21-R23 VanDerWaalsContact O-N 3.1Å
24P88.3Confident83.5Confident30 Ų3073 Ų7320%0.19541%0.411CS..PPolyproline II helixtrans-56.5138.6169.1-25.434.5000111.8L39 I43P24-L39 HydrophobicContact CB-CB 4.11Å; P24-L39 HydrophobicContact CB-CD1 4.42Å; P24-L39 HydrophobicContact CG-CB 3.67Å; P24-I43 HydrophobicContact CB-CD1 4.18Å; P24-I43 HydrophobicContact CG-CD1 4.03Å
25P86.1Confident82.5Confident36 Ų3672.6 Ų72.623%0.23442%0.422CS..PPolyproline II helixtrans-56149.5173.4-27.135.9000112.8L10 F11 P12 T16 R27L10-P25 WeakPolarHBondContact O-CD 3.29Å; F11-P25 HydrophobicContact CD1-CG 4.12Å; P12-P25 HydrophobicContact CG-CB 4.3Å; T16-P25 HydrophobicContact CG2-CG 3.71Å; P25-R27 PolarHBondContact O-N 3.46Å
26A79.3Confident81.4Confident100 Ų10080.1 Ų80.183%0.82645%0.449SS*.PPolyproline II helixtrans-66.4121.2173.400000110.2
27R72.5Confident80.3Confident63 Ų6385 Ų8524%0.23848%0.478CS..PPolyproline II helixtrans-85.9161.1174.6-69.7-175.9175.3171.52.1111.3A9 P25A9-R27 PolarHBondContact O-NE 3.21Å; A9-R27 PolarHBondContact O-NH2 2.86Å; P25-R27 PolarHBondContact O-N 3.46Å
28R70.3Confident79.8Confident220 Ų22085.8 Ų85.883%0.8348%0.481SS*.PPolyproline II helixtrans-63.5142.8171.8-62.6-178.3-176.4-179.31.9110.1
29P66.9Low79.5Confident136 Ų13686.1 Ų86.188%0.88348%0.482SS*.THydrogen-bonded Turntrans-58.6143.8174.3-23.834.2000112.3
30G66.1Low79.3Confident83 Ų8385.7 Ų85.786%0.85648%0.478SS*.THydrogen-bonded Turntrans104.2-14.1173.100000116.2
31T68.9Low79.3Confident89 Ų8987.7 Ų87.755%0.54649%0.488SS..SBendtrans-82131.3173.9-48.90000111.4T33T31-T33 PolarHBondContact O-N 2.85Å
32T65.1Low79.3Confident138 Ų13885.7 Ų85.785%0.84748%0.479SS*.PPolyproline II helixtrans-62.4116.3172.7-19.50000110.3
33T62.2Low79.4Confident93 Ų9385.7 Ų85.757%0.57148%0.479SS*.PPolyproline II helixtrans-94.8134.9-175.1530000112.5T31T31-T33 PolarHBondContact O-N 2.85Å
34P68.2Low79.8Confident54 Ų5480.9 Ų80.935%0.35146%0.463SS..PPolyproline II helixtrans-54.6164.2155.2-21.633.9000111.1D38 L39P34-D38 HydrophobicContact CB-CB 4.44Å; P34-L39 HydrophobicContact CB-CD2 4.11Å; P34-L39 HydrophobicContact CB-CG 4.31Å; P34-L39 HydrophobicContact CG-CD2 4.07Å
35A73.8Confident80.2Confident56 Ų5681.8 Ų81.846%0.46347%0.468SS..PPolyproline II helixtrans-64.9147.5179.600000110.3V37 D38 L39A35-V37 PolarHBondContact O-N 2.97Å; A35-V37 VanDerWaalsContact O-N 3.12Å; A35-D38 WeakPolarHBondContact CA-OD2 3.41Å; A35-D38 VanDerWaalsContact CB-OD2 3.3Å; A35-D38 WeakPolarHBondContact CB-OD2 3.13Å; A35-D38 PolarHBondContact N-OD2 3.31Å; A35-D38 WeakPolarHBondContact O-CB 3.34Å; A35-D38 PolarHBondContact O-N 3.33Å; A35-L39 PolarHBondContact O-N 3.2Å
36R73.9Confident80.8Confident171 Ų17180.1 Ų80.165%0.64546%0.457SS*.Hα-helixtrans-57.6-30.5-178179.2176.8167.8-177.3-4.2112.8Q40R36-Q40 PolarHBondContact O-N 2.86Å; R36-Q40 VanDerWaalsContact O-N 3.11Å
37V74.1Confident81.7Confident110 Ų11075.3 Ų75.367%0.66742%0.417SS*.Hα-helixtrans-65.7-47.4175.9-177.60000110.4A35 L39 Q40 Q41A35-V37 PolarHBondContact O-N 2.97Å; A35-V37 VanDerWaalsContact O-N 3.12Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 3.1Å; V37-Q40 PolarHBondContact O-N 3.24Å; V37-Q40 VanDerWaalsContact O-N 3.14Å; V37-Q41 PolarHBondContact O-N 3.14Å
38D87Confident82.9Confident79 Ų7974.8 Ų74.842%0.42242%0.419SS..Hα-helixtrans-57.9-46.4178.3-39-24.8000111.2P34 A35 Q40 Q41 Q42P34-D38 HydrophobicContact CB-CB 4.44Å; A35-D38 WeakPolarHBondContact CA-OD2 3.41Å; A35-D38 VanDerWaalsContact CB-OD2 3.3Å; A35-D38 WeakPolarHBondContact CB-OD2 3.13Å; A35-D38 PolarHBondContact N-OD2 3.31Å; A35-D38 WeakPolarHBondContact O-CB 3.34Å; A35-D38 PolarHBondContact O-N 3.33Å; D38-Q40 VanDerWaalsContact C-N 3.33Å; D38-Q40 PolarHBondContact O-N 2.89Å; D38-Q41 PolarHBondContact O-N 3.17Å; D38-Q42 VanDerWaalsContact O-CG 3.29Å; D38-Q42 WeakPolarHBondContact O-CG 3.3Å; D38-Q42 PolarHBondContact O-N 2.88Å
39L91.4Very high84.3Confident12 Ų1267.6 Ų67.66%0.06340%0.395CS..Hα-helixtrans-63.4-38.3177.8-62177.3000111.9L10 P24 P34 A35 V37 Q42 I43L10-L39 HydrophobicContact CD1-CB 4.06Å; L10-L39 HydrophobicContact CD1-CD2 3.9Å; P24-L39 HydrophobicContact CB-CB 4.11Å; P24-L39 HydrophobicContact CB-CD1 4.42Å; P24-L39 HydrophobicContact CG-CB 3.67Å; P34-L39 HydrophobicContact CB-CD2 4.11Å; P34-L39 HydrophobicContact CB-CG 4.31Å; P34-L39 HydrophobicContact CG-CD2 4.07Å; A35-L39 PolarHBondContact O-N 3.2Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 3.1Å; L39-Q42 PolarHBondContact O-N 3.01Å; L39-I43 WeakPolarHBondContact O-CG1 3.35Å; L39-I43 PolarHBondContact O-N 3.19Å; L39-I43 VanDerWaalsContact O-N 3.17Å
40Q94.1Very high85.8Confident51 Ų5161.1 Ų61.124%0.23835%0.353CS..Hα-helixtrans-67.7-40.4175.1-175.4163.910.600111.3H21 L22 R36 V37 D38 Q42 I43 M44H21-Q40 PolarHBondContact O-NE2 3.45Å; L22-Q40 HydrophobicContact CB-CG 4.45Å; R36-Q40 PolarHBondContact O-N 2.86Å; R36-Q40 VanDerWaalsContact O-N 3.11Å; V37-Q40 PolarHBondContact O-N 3.24Å; V37-Q40 VanDerWaalsContact O-N 3.14Å; D38-Q40 VanDerWaalsContact C-N 3.33Å; D38-Q40 PolarHBondContact O-N 2.89Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-Q42 PolarHBondContact O-N 2.98Å; Q40-I43 WeakPolarHBondContact O-CB 3.19Å; Q40-I43 PolarHBondContact O-N 3.22Å; Q40-M44 HydrophobicContact CG-SD 4.4Å; Q40-M44 VanDerWaalsContact O-CG 3.3Å; Q40-M44 WeakPolarHBondContact O-CG 3.33Å; Q40-M44 PolarHBondContact O-N 3.46Å
41Q95.6Very high87.3Confident101 Ų10157.2 Ų57.247%0.47231%0.312SS..Hα-helixtrans-64.4-37176-174.955.570.300112.2V37 D38 M44 T45V37-Q41 PolarHBondContact O-N 3.14Å; D38-Q41 PolarHBondContact O-N 3.17Å; Q41-M44 PolarHBondContact O-N 2.99Å; Q41-T45 PolarHBondContact O-N 3.34Å; Q41-T45 PolarHBondContact O-OG1 3.41Å
42Q95.8Very high88.8Confident39 Ų3957.9 Ų57.918%0.18231%0.308CS..Hα-helixtrans-61.6-42.8172.7-69.9169.98.500112F5 L10 D38 L39 Q40 M44 T45 I46F5-Q42 HydrophobicContact CB-CG 4.42Å; F5-Q42 HydrophobicContact CD1-CB 4.31Å; F5-Q42 HydrophobicContact CD1-CG 3.69Å; F5-Q42 HydrophobicContact CD2-CB 4.09Å; F5-Q42 HydrophobicContact CD2-CG 4.03Å; F5-Q42 HydrophobicContact CE1-CB 4.07Å; F5-Q42 HydrophobicContact CE1-CG 3.87Å; F5-Q42 HydrophobicContact CE2-CB 3.84Å; F5-Q42 HydrophobicContact CE2-CG 4.21Å; F5-Q42 HydrophobicContact CG-CB 4.32Å; F5-Q42 HydrophobicContact CG-CG 3.76Å; F5-Q42 HydrophobicContact CZ-CB 3.82Å; F5-Q42 HydrophobicContact CZ-CG 4.12Å; L10-Q42 HydrophobicContact CD2-CB 3.82Å; D38-Q42 VanDerWaalsContact O-CG 3.29Å; D38-Q42 WeakPolarHBondContact O-CG 3.3Å; D38-Q42 PolarHBondContact O-N 2.88Å; L39-Q42 PolarHBondContact O-N 3.01Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-Q42 PolarHBondContact O-N 2.98Å; Q42-M44 VanDerWaalsContact C-N 3.34Å; Q42-M44 PolarHBondContact O-N 3.14Å; Q42-T45 PolarHBondContact O-N 2.96Å; Q42-I46 WeakPolarHBondContact O-CG1 3.47Å; Q42-I46 PolarHBondContact O-N 3.47Å
43I97.2Very high90.4Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-61.6-42.4174.4-69.9171.5000111.3L10 F11 L18 L22 P24 L39 Q40 I46 L47L10-I43 HydrophobicContact CD1-CD1 4.3Å; L10-I43 HydrophobicContact CD1-CG1 4.08Å; L10-I43 HydrophobicContact CD2-CG1 3.99Å; L10-I43 HydrophobicContact CG-CG1 4.19Å; F11-I43 HydrophobicContact CE1-CD1 4.06Å; F11-I43 HydrophobicContact CE1-CG1 3.8Å; F11-I43 HydrophobicContact CZ-CG1 4.02Å; L18-I43 HydrophobicContact CD1-CG2 3.52Å; L18-I43 HydrophobicContact CD2-CD1 4.45Å; L22-I43 HydrophobicContact CB-CG2 4.28Å; L22-I43 HydrophobicContact CD2-CG2 4.34Å; P24-I43 HydrophobicContact CB-CD1 4.18Å; P24-I43 HydrophobicContact CG-CD1 4.03Å; L39-I43 WeakPolarHBondContact O-CG1 3.35Å; L39-I43 PolarHBondContact O-N 3.19Å; L39-I43 VanDerWaalsContact O-N 3.17Å; Q40-I43 WeakPolarHBondContact O-CB 3.19Å; Q40-I43 PolarHBondContact O-N 3.22Å; I43-I46 PolarHBondContact O-N 3.4Å; I43-L47 HydrophobicContact CG2-CD1 4.14Å; I43-L47 WeakPolarHBondContact O-CG 3.28Å; I43-L47 PolarHBondContact O-N 2.95Å
44M98Very high92.1Very high38 Ų3847.7 Ų47.719%0.18725%0.247CC..Hα-helixtrans-61.2-46.7177.2-67.2173.765.900111.1L22 Q40 Q41 Q42 I46 L47 D48 A67L22-M44 HydrophobicContact CD1-CG 3.7Å; Q40-M44 HydrophobicContact CG-SD 4.4Å; Q40-M44 VanDerWaalsContact O-CG 3.3Å; Q40-M44 WeakPolarHBondContact O-CG 3.33Å; Q40-M44 PolarHBondContact O-N 3.46Å; Q41-M44 PolarHBondContact O-N 2.99Å; Q42-M44 VanDerWaalsContact C-N 3.34Å; Q42-M44 PolarHBondContact O-N 3.14Å; M44-I46 PolarHBondContact O-N 2.82Å; M44-L47 PolarHBondContact O-N 3.3Å; M44-D48 PolarHBondContact O-N 2.93Å; M44-A67 HydrophobicContact CB-CB 3.58Å; M44-A67 HydrophobicContact CE-CB 3.98Å; M44-A67 HydrophobicContact CG-CB 3.71Å
45T98.1Very high93.5Very high49 Ų4945.4 Ų45.430%0.30123%0.232SC..Hα-helixtrans-60.8-40.3175.6-60.70000112.7F5 Q41 Q42 D48 E49F5-T45 HydrophobicContact CE1-CG2 4.5Å; Q41-T45 PolarHBondContact O-N 3.34Å; Q41-T45 PolarHBondContact O-OG1 3.41Å; Q42-T45 PolarHBondContact O-N 2.96Å; T45-D48 PolarHBondContact O-N 2.79Å; T45-E49 PolarHBondContact O-N 2.96Å
46I98.1Very high94.7Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-60.2-47.4174.5-70.8162.1000111.1F3 F5 L10 F11 Q42 I43 M44 D48 E49 L50 I79 I93F3-I46 HydrophobicContact CD1-CG1 3.97Å; F3-I46 HydrophobicContact CD2-CG1 4.07Å; F3-I46 HydrophobicContact CE1-CB 4.28Å; F3-I46 HydrophobicContact CE1-CG1 3.82Å; F3-I46 HydrophobicContact CE2-CG1 3.93Å; F3-I46 HydrophobicContact CE2-CG2 4.32Å; F3-I46 HydrophobicContact CG-CG1 4.1Å; F3-I46 HydrophobicContact CZ-CB 4.1Å; F3-I46 HydrophobicContact CZ-CG1 3.81Å; F3-I46 HydrophobicContact CZ-CG2 4.1Å; F5-I46 HydrophobicContact CE2-CD1 3.75Å; F5-I46 HydrophobicContact CE2-CG1 3.95Å; F5-I46 HydrophobicContact CZ-CD1 4.22Å; F5-I46 HydrophobicContact CZ-CG1 3.95Å; L10-I46 HydrophobicContact CD2-CD1 3.52Å; F11-I46 HydrophobicContact CE2-CD1 3.74Å; F11-I46 HydrophobicContact CE2-CG2 4.32Å; F11-I46 HydrophobicContact CZ-CD1 4.02Å; Q42-I46 WeakPolarHBondContact O-CG1 3.47Å; Q42-I46 PolarHBondContact O-N 3.47Å; I43-I46 PolarHBondContact O-N 3.4Å; M44-I46 PolarHBondContact O-N 2.82Å; I46-D48 VanDerWaalsContact C-N 3.34Å; I46-D48 PolarHBondContact O-N 2.74Å; I46-E49 PolarHBondContact O-N 2.67Å; I46-L50 HydrophobicContact CG2-CD1 3.54Å; I46-L50 HydrophobicContact CG2-CG 4.14Å; I46-L50 VanDerWaalsContact O-CB 3.31Å; I46-L50 WeakPolarHBondContact O-CB 3.4Å; I46-L50 WeakPolarHBondContact O-CG 2.95Å; I46-L50 PolarHBondContact O-N 3.09Å; I46-I79 HydrophobicContact CG2-CD1 4.29Å; I46-I93 HydrophobicContact CG2-CG1 4.29Å
47L98.3Very high95.8Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-66-35.5-178.7-73.8170.9000113.1L18 L22 I43 M44 G51 M70 V77 I79L18-L47 HydrophobicContact CD1-CD1 4.44Å; L22-L47 HydrophobicContact CD1-CD1 4.3Å; L22-L47 HydrophobicContact CD2-CD1 3.35Å; L22-L47 HydrophobicContact CG-CD1 4.48Å; I43-L47 HydrophobicContact CG2-CD1 4.14Å; I43-L47 WeakPolarHBondContact O-CG 3.28Å; I43-L47 PolarHBondContact O-N 2.95Å; M44-L47 PolarHBondContact O-N 3.3Å; L47-G51 PolarHBondContact O-N 3.28Å; L47-M70 HydrophobicContact CD1-CG 4.36Å; L47-V77 HydrophobicContact CD2-CG1 3.79Å; L47-V77 HydrophobicContact CD2-CG2 4.14Å; L47-I79 HydrophobicContact CD2-CD1 3.92Å; L47-I79 HydrophobicContact CG-CD1 4.48Å
48D98.6Very high96.9Very high51 Ų5141.7 Ų41.727%0.27321%0.208SC..Hα-helixtrans-70.3-41.8177.1-70.3-21000111.9M44 T45 I46 G51 K52 S66 A67M44-D48 PolarHBondContact O-N 2.93Å; T45-D48 PolarHBondContact O-N 2.79Å; I46-D48 VanDerWaalsContact C-N 3.34Å; I46-D48 PolarHBondContact O-N 2.74Å; D48-G51 PolarHBondContact O-N 2.96Å; D48-K52 WeakPolarHBondContact O-CD 3.42Å; D48-K52 WeakPolarHBondContact O-CG 3.48Å; D48-K52 PolarHBondContact O-N 2.84Å; D48-S66 VanDerWaalsContact OD1-CA 3.22Å; D48-S66 WeakPolarHBondContact OD1-CA 3.48Å; D48-S66 WeakPolarHBondContact OD1-CB 3.45Å; D48-A67 PolarHBondContact OD1-N 3.47Å
49E98.7Very high97.4Very high70 Ų7046.2 Ų46.233%0.32723%0.226SC..Hα-helixtrans-70.1-39175-64.5-45.7131.500112.8M1 F3 T45 I46 G51 K52 A53M1-E49 HydrophobicContact CE-CB 4.06Å; F3-E49 HydrophobicContact CE1-CB 3.96Å; F3-E49 HydrophobicContact CE1-CG 4.06Å; F3-E49 HydrophobicContact CZ-CB 4.2Å; T45-E49 PolarHBondContact O-N 2.96Å; I46-E49 PolarHBondContact O-N 2.67Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.11Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 IonicContact OE1-NZ 3.28Å; E49-K52 PolarHBondContact OE1-NZ 3.31Å; E49-K52 WeakPolarHBondContact OE2-CD 3.38Å; E49-K52 IonicContact OE2-NZ 2.63Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 2.9Å
50L98.5Very high97.6Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-61.5-42172.5-74.4173000111.7M1 I46 A53 S54 I79 I93 F96M1-L50 HydrophobicContact CE-CD2 4.46Å; M1-L50 HydrophobicContact SD-CD2 3.74Å; I46-L50 HydrophobicContact CG2-CD1 3.54Å; I46-L50 HydrophobicContact CG2-CG 4.14Å; I46-L50 VanDerWaalsContact O-CB 3.31Å; I46-L50 WeakPolarHBondContact O-CB 3.4Å; I46-L50 WeakPolarHBondContact O-CG 2.95Å; I46-L50 PolarHBondContact O-N 3.09Å; L50-A53 PolarHBondContact O-N 2.86Å; L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 2.79Å; L50-I79 HydrophobicContact CD1-CD1 4.31Å; L50-I79 HydrophobicContact CD1-CG1 4.48Å; L50-I79 HydrophobicContact CD1-CG2 4.32Å; L50-I93 HydrophobicContact CD1-CG2 4.12Å; L50-I93 HydrophobicContact CD2-CG2 3.72Å; L50-I93 HydrophobicContact CG-CG2 4.45Å; L50-F96 HydrophobicContact CB-CD1 3.7Å; L50-F96 HydrophobicContact CB-CE1 3.72Å; L50-F96 HydrophobicContact CD1-CB 4.3Å; L50-F96 HydrophobicContact CD1-CD1 4.12Å; L50-F96 HydrophobicContact CD1-CG 4.41Å; L50-F96 HydrophobicContact CD2-CD1 4.07Å; L50-F96 HydrophobicContact CG-CD1 4.18Å; L50-F96 WeakPolarHBondContact O-CE1 3.35Å
51G98.6Very high97.8Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-63.6-41.4176.200000113.2L47 D48 E49 A55 T65L47-G51 PolarHBondContact O-N 3.28Å; D48-G51 PolarHBondContact O-N 2.96Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.11Å; G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 3.18Å; G51-T65 WeakPolarHBondContact CA-O 3.45Å
52K98.8Very high97.9Very high104 Ų10450.2 Ų50.245%0.45227%0.267SS..Hα-helixtrans-63.5-44.1172.8-69.6162.8-168175.20111.7D48 E49 A55 K56D48-K52 WeakPolarHBondContact O-CD 3.42Å; D48-K52 WeakPolarHBondContact O-CG 3.48Å; D48-K52 PolarHBondContact O-N 2.84Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 IonicContact OE1-NZ 3.28Å; E49-K52 PolarHBondContact OE1-NZ 3.31Å; E49-K52 WeakPolarHBondContact OE2-CD 3.38Å; E49-K52 IonicContact OE2-NZ 2.63Å; K52-A55 PolarHBondContact O-N 3.35Å; K52-K56 WeakPolarHBondContact O-CB 3.47Å; K52-K56 PolarHBondContact O-N 2.92Å
53A98.6Very high98Very high17 Ų1750.5 Ų50.514%0.1427%0.272CS..Hα-helixtrans-63.8-45.6178.700000111.7M1 E49 L50 A55 K56 A57 Y125M1-A53 HydrophobicContact CE-CB 4.02Å; M1-A53 HydrophobicContact SD-CB 3.99Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 2.9Å; L50-A53 PolarHBondContact O-N 2.86Å; A53-A55 PolarHBondContact O-N 3.35Å; A53-K56 PolarHBondContact O-N 3.49Å; A53-A57 WeakPolarHBondContact O-CB 3.32Å; A53-A57 PolarHBondContact O-N 3.28Å; A53-Y125 HydrophobicContact CB-CD1 4.46Å; A53-Y125 HydrophobicContact CB-CE1 3.66Å
54S98.6Very high98.1Very high0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-59.7-46.4174.1-173.30000112.2L50 K56 A57 Q58 D123L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 2.79Å; S54-K56 VanDerWaalsContact C-N 3.34Å; S54-K56 PolarHBondContact O-N 3.05Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-Q58 WeakPolarHBondContact O-CB 3.42Å; S54-Q58 WeakPolarHBondContact O-CG 3.35Å; S54-Q58 PolarHBondContact O-N 3.04Å; S54-Q58 PolarHBondContact OG-NE2 3.32Å; S54-D123 PolarHBondContact OG-OD1 2.81Å
55A98.4Very high98.1Very high5 Ų551.7 Ų51.74%0.04128%0.279CS..Hα-helixtrans-60-43177.700000112.4G51 K52 A53 Q58 H59 L60 P63G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 3.18Å; K52-A55 PolarHBondContact O-N 3.35Å; A53-A55 PolarHBondContact O-N 3.35Å; A55-Q58 CarbonylContact O-C 3.51Å; A55-Q58 PolarHBondContact O-N 3.35Å; A55-H59 PolarHBondContact O-N 2.98Å; A55-L60 HydrophobicContact CB-CB 4.12Å; A55-L60 PolarHBondContact O-N 3.49Å; A55-P63 HydrophobicContact CB-CB 4.43Å
56K98.4Very high98.1Very high169 Ų16950.3 Ų50.374%0.73527%0.271SS*.Hα-helixtrans-60.9-44.9174.3-174.1-176.9178.8-175.30111.8K52 A53 S54 Q58 H59K52-K56 WeakPolarHBondContact O-CB 3.47Å; K52-K56 PolarHBondContact O-N 2.92Å; A53-K56 PolarHBondContact O-N 3.49Å; S54-K56 VanDerWaalsContact C-N 3.34Å; S54-K56 PolarHBondContact O-N 3.05Å; K56-Q58 VanDerWaalsContact C-N 3.25Å; K56-Q58 PolarHBondContact O-N 2.87Å; K56-H59 PolarHBondContact O-N 2.98Å
57A97.4Very high98.1Very high31 Ų3150.3 Ų50.326%0.25627%0.272SS..Hα-helixtrans-70.1-19179.300000114.2A53 S54 Y125 E128A53-A57 WeakPolarHBondContact O-CB 3.32Å; A53-A57 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 3.15Å; A57-Y125 HydrophobicContact CB-CD2 3.84Å; A57-Y125 HydrophobicContact CB-CE2 3.65Å; A57-E128 WeakPolarHBondContact CB-OE1 3.34Å
58Q96.8Very high98.1Very high60 Ų6054.2 Ų54.228%0.2830%0.299SS..THydrogen-bonded Turntrans-104.12.7175.7-66.8-174.280.500113.5S54 A55 K56 L60 D123S54-Q58 WeakPolarHBondContact O-CB 3.42Å; S54-Q58 WeakPolarHBondContact O-CG 3.35Å; S54-Q58 PolarHBondContact O-N 3.04Å; S54-Q58 PolarHBondContact OG-NE2 3.32Å; A55-Q58 CarbonylContact O-C 3.51Å; A55-Q58 PolarHBondContact O-N 3.35Å; K56-Q58 VanDerWaalsContact C-N 3.25Å; K56-Q58 PolarHBondContact O-N 2.87Å; Q58-L60 HydrophobicContact CB-CD1 3.99Å; Q58-L60 HydrophobicContact CB-CG 3.81Å; Q58-L60 PolarHBondContact O-N 3.09Å; Q58-D123 PolarHBondContact NE2-OD1 3.24Å; Q58-D123 VanDerWaalsContact NE2-OD1 3.09Å
59H97.1Very high98.1Very high174 Ų17457.3 Ų57.381%0.80631%0.306SS*.THydrogen-bonded Turntrans55.332.4-175-52-71.8000114.5A55 K56A55-H59 PolarHBondContact O-N 2.98Å; K56-H59 PolarHBondContact O-N 2.98Å
60L96.9Very high98.1Very high56 Ų5654 Ų5429%0.29329%0.291SS..  trans-82.4142.5177.7-60.6175.5000111.1A55 Q58 A62 I64A55-L60 HydrophobicContact CB-CB 4.12Å; A55-L60 PolarHBondContact O-N 3.49Å; Q58-L60 HydrophobicContact CB-CD1 3.99Å; Q58-L60 HydrophobicContact CB-CG 3.81Å; Q58-L60 PolarHBondContact O-N 3.09Å; L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.04Å; L60-I64 HydrophobicContact CD1-CD1 3.98Å; L60-I64 HydrophobicContact CD1-CG1 4.23Å; L60-I64 HydrophobicContact CD1-CG2 4.06Å
61P97.5Very high98Very high138 Ų13858.1 Ų58.190%0.89631%0.31SS*.SBendtrans-72.2-16-178.329.8-36.4000113.9
62A97.9Very high98Very high53 Ų5362.2 Ų62.244%0.43834%0.339SS..SBendtrans-154.3153.5-179.900000111.1L60 I64L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.04Å; A62-I64 PolarHBondContact O-N 3.39Å
63P98.3Very high97.9Very high45 Ų4559.5 Ų59.529%0.29233%0.329SS..  trans-68.7126.7178.727.3-34.5000113.3A55 T65 R69A55-P63 HydrophobicContact CB-CB 4.43Å; P63-T65 VanDerWaalsContact C-N 3.33Å; P63-R69 PolarHBondContact O-NE 3.36Å; P63-R69 PolarHBondContact O-NH2 2.88Å
64I98Very high97.8Very high62 Ų6268.7 Ų68.732%0.31836%0.36SS..SBendtrans-86.1-6173.663.3172.8000113L60 A62 R69 K98 D123L60-I64 HydrophobicContact CD1-CD1 3.98Å; L60-I64 HydrophobicContact CD1-CG1 4.23Å; L60-I64 HydrophobicContact CD1-CG2 4.06Å; A62-I64 PolarHBondContact O-N 3.39Å; I64-R69 WeakPolarHBondContact O-CD 3.45Å; I64-K98 PolarHBondContact O-NZ 3.06Å; I64-D123 HydrophobicContact CD1-CB 4.08Å; I64-D123 HydrophobicContact CG1-CB 4.29Å; I64-D123 WeakPolarHBondContact CG1-OD2 3.42Å
65T98.6Very high97.8Very high1 Ų169.6 Ų69.61%0.00636%0.364CS..  trans-127.6133.2173-58.50000108.4G51 P63 F96 K98 D123G51-T65 WeakPolarHBondContact CA-O 3.45Å; P63-T65 VanDerWaalsContact C-N 3.33Å; T65-F96 HydrophobicContact CG2-CE2 3.83Å; T65-F96 HydrophobicContact CG2-CZ 4.22Å; T65-K98 HydrophobicContact CG2-CD 4.12Å; T65-K98 WeakPolarHBondContact OG1-CD 3.18Å; T65-K98 PolarHBondContact OG1-NZ 3.07Å; T65-D123 WeakPolarHBondContact CB-OD2 3.2Å; T65-D123 VanDerWaalsContact OG1-CB 3.3Å; T65-D123 WeakPolarHBondContact OG1-CB 3.15Å; T65-D123 PolarHBondContact OG1-OD2 3.18Å
66S98.6Very high97.8Very high20 Ų2071 Ų7114%0.1437%0.373CS..  trans-162.9162.8174.6650000108.8D48 S68 R69 M70D48-S66 VanDerWaalsContact OD1-CA 3.22Å; D48-S66 WeakPolarHBondContact OD1-CA 3.48Å; D48-S66 WeakPolarHBondContact OD1-CB 3.45Å; S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 3.24Å; S66-R69 PolarHBondContact O-N 3.08Å; S66-R69 WeakPolarHBondContact OG-CB 3.46Å; S66-R69 VanDerWaalsContact OG-CG 3.29Å; S66-R69 WeakPolarHBondContact OG-CG 3.23Å; S66-R69 PolarHBondContact OG-N 2.68Å; S66-R69 VanDerWaalsContact OG-N 3.14Å; S66-M70 WeakPolarHBondContact O-CG 3.5Å; S66-M70 PolarHBondContact O-N 2.91Å
67A98.3Very high97.8Very high1 Ų163 Ų631%0.00834%0.338CS..Hα-helixtrans-53.6-47.9175.100000112.1L22 M44 D48 R69 M70 Q71L22-A67 HydrophobicContact CD1-CB 4.17Å; M44-A67 HydrophobicContact CB-CB 3.58Å; M44-A67 HydrophobicContact CE-CB 3.98Å; M44-A67 HydrophobicContact CG-CB 3.71Å; D48-A67 PolarHBondContact OD1-N 3.47Å; A67-R69 PolarHBondContact O-N 3.02Å; A67-M70 PolarHBondContact O-N 3.09Å; A67-Q71 WeakPolarHBondContact O-CG 3.35Å; A67-Q71 PolarHBondContact O-N 2.87Å
68S98.2Very high97.9Very high81 Ų8161.7 Ų61.757%0.56633%0.326SS*.Hα-helixtrans-62.8-40.1177.21720000112.7S66 Q71 S72S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 3.24Å; S68-Q71 PolarHBondContact O-N 2.79Å; S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 3.37Å; S68-S72 VanDerWaalsContact O-N 3.15Å; S68-S72 PolarHBondContact O-OG 2.85Å
69R98.1Very high98Very high116 Ų11658.9 Ų58.944%0.43831%0.313SS..Hα-helixtrans-66.1-38174.2-75.6177.3-177.1-80.42.9112.2P63 I64 S66 A67 S72 N73P63-R69 PolarHBondContact O-NE 3.36Å; P63-R69 PolarHBondContact O-NH2 2.88Å; I64-R69 WeakPolarHBondContact O-CD 3.45Å; S66-R69 PolarHBondContact O-N 3.08Å; S66-R69 WeakPolarHBondContact OG-CB 3.46Å; S66-R69 VanDerWaalsContact OG-CG 3.29Å; S66-R69 WeakPolarHBondContact OG-CG 3.23Å; S66-R69 PolarHBondContact OG-N 2.68Å; S66-R69 VanDerWaalsContact OG-N 3.14Å; A67-R69 PolarHBondContact O-N 3.02Å; R69-S72 WeakPolarHBondContact CA-OG 3.2Å; R69-S72 PolarHBondContact O-OG 2.93Å; R69-N73 WeakPolarHBondContact O-CB 3.31Å; R69-N73 PolarHBondContact O-N 2.86Å; R69-N73 PolarHBondContact O-ND2 3.5Å
70M98.2Very high98Very high1 Ų150.6 Ų50.61%0.00528%0.275CS..Hα-helixtrans-66.1-44.6174.9-71.2-62.2-57.700111.7Q20 L22 L47 S66 A67 S72 N73 H75 V77 K98Q20-M70 WeakPolarHBondContact CA-O 3.38Å; Q20-M70 WeakPolarHBondContact CB-O 3.34Å; L22-M70 HydrophobicContact CD2-CB 4.18Å; L47-M70 HydrophobicContact CD1-CG 4.36Å; S66-M70 WeakPolarHBondContact O-CG 3.5Å; S66-M70 PolarHBondContact O-N 2.91Å; A67-M70 PolarHBondContact O-N 3.09Å; M70-S72 VanDerWaalsContact C-N 3.25Å; M70-S72 PolarHBondContact O-N 2.59Å; M70-N73 PolarHBondContact O-N 2.89Å; M70-H75 HydrophobicContact CE-CB 3.81Å; M70-H75 WeakPolarHBondContact CE-O 3.38Å; M70-H75 HydrophobicContact SD-CB 3.74Å; M70-V77 HydrophobicContact CE-CB 3.95Å; M70-V77 HydrophobicContact CE-CG1 3.66Å; M70-V77 HydrophobicContact SD-CB 4.27Å; M70-V77 HydrophobicContact SD-CG1 4.27Å; M70-K98 HydrophobicContact SD-CD 4.03Å; M70-K98 HydrophobicContact SD-CG 4.13Å
71Q97.6Very high97.9Very high86 Ų8648.3 Ų48.340%0.40226%0.263SS..Hα-helixtrans-66.4-25.7179.5-72.2169.9-41.700113.6L22 A67 S68L22-Q71 HydrophobicContact CD1-CG 3.79Å; L22-Q71 HydrophobicContact CG-CG 4.23Å; A67-Q71 WeakPolarHBondContact O-CG 3.35Å; A67-Q71 PolarHBondContact O-N 2.87Å; S68-Q71 PolarHBondContact O-N 2.79Å
72S97.6Very high97.6Very high86 Ų8643.2 Ų43.260%0.60123%0.228SC*.THydrogen-bonded Turntrans-95.6-2.4179.953.20000114.6S68 R69 M70S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 3.37Å; S68-S72 VanDerWaalsContact O-N 3.15Å; S68-S72 PolarHBondContact O-OG 2.85Å; R69-S72 WeakPolarHBondContact CA-OG 3.2Å; R69-S72 PolarHBondContact O-OG 2.93Å; M70-S72 VanDerWaalsContact C-N 3.25Å; M70-S72 PolarHBondContact O-N 2.59Å
73N97.3Very high96.9Very high47 Ų4744.5 Ų44.525%0.25123%0.23SC..SBendtrans-132.2149.6-178.7-75.6-104.3000111.5R69 M70 H75 K102R69-N73 WeakPolarHBondContact O-CB 3.31Å; R69-N73 PolarHBondContact O-N 2.86Å; R69-N73 PolarHBondContact O-ND2 3.5Å; M70-N73 PolarHBondContact O-N 2.89Å; N73-H75 HydrophobicContact CB-CB 4.42Å; N73-H75 VanDerWaalsContact CB-CE1 3.48Å; N73-H75 WeakPolarHBondContact CB-CE1 3.46Å; N73-H75 WeakPolarHBondContact CB-ND1 3.48Å; N73-H75 PolarHBondContact O-N 2.84Å; N73-H75 PolarHBondContact OD1-CE1 2.86Å; N73-K102 PolarHBondContact OD1-NZ 2.89Å
74R97Very high95.5Very high211 Ų21146.4 Ų46.480%0.79625%0.25SC*.  trans-78.560.5170.3-53-170.979177.92.6110.6
75H98.3Very high93.7Very high18 Ų1845.4 Ų45.48%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-101.9152.3176.8-64.9165.5000110.6M70 N73 K98 V99 K102 L122M70-H75 HydrophobicContact CE-CB 3.81Å; M70-H75 WeakPolarHBondContact CE-O 3.38Å; M70-H75 HydrophobicContact SD-CB 3.74Å; N73-H75 HydrophobicContact CB-CB 4.42Å; N73-H75 VanDerWaalsContact CB-CE1 3.48Å; N73-H75 WeakPolarHBondContact CB-CE1 3.46Å; N73-H75 WeakPolarHBondContact CB-ND1 3.48Å; N73-H75 PolarHBondContact O-N 2.84Å; N73-H75 PolarHBondContact OD1-CE1 2.86Å; H75-K98 HydrophobicContact CB-CG 4.35Å; H75-V99 WeakPolarHBondContact CA-O 3.5Å; H75-K102 WeakPolarHBondContact NE2-CE 3.18Å; H75-K102 PolarHBondContact NE2-NZ 2.98Å; H75-L122 VanDerWaalsContact NE2-CD1 3.33Å; H75-L122 WeakPolarHBondContact NE2-CD1 3.4Å
76V98.6Very high91.8Very high35 Ų3555.8 Ų55.821%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-118.5136.5171.4-177.60000107.8V17 L18 Y78 K98 V99V17-V76 HydrophobicContact CG1-CG1 3.46Å; V17-V76 VanDerWaalsContact CG1-CG1 3.46Å; L18-V76 WeakPolarHBondContact O-CA 3.3Å; V76-Y78 HydrophobicContact CB-CE2 4.29Å; V76-Y78 HydrophobicContact CG1-CD2 4.2Å; V76-Y78 HydrophobicContact CG1-CE2 3.56Å; V76-K98 WeakPolarHBondContact O-CA 3.41Å; V76-V99 HydrophobicContact CB-CG2 4.06Å; V76-V99 PolarHBondContact N-O 3.47Å; V76-V99 PolarHBondContact O-N 2.85Å
77V98.7Very high89.8Confident0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-124.8126.8177.164.70000110.9L18 L47 M70 I79 F96 L97 K98L18-V77 HydrophobicContact CB-CG1 3.82Å; L18-V77 PolarHBondContact N-O 2.9Å; L18-V77 PolarHBondContact O-N 2.85Å; L47-V77 HydrophobicContact CD2-CG1 3.79Å; L47-V77 HydrophobicContact CD2-CG2 4.14Å; M70-V77 HydrophobicContact CE-CB 3.95Å; M70-V77 HydrophobicContact CE-CG1 3.66Å; M70-V77 HydrophobicContact SD-CB 4.27Å; M70-V77 HydrophobicContact SD-CG1 4.27Å; V77-I79 HydrophobicContact CG2-CG1 4.3Å; V77-F96 HydrophobicContact CG2-CB 4.05Å; V77-F96 HydrophobicContact CG2-CD2 3.68Å; V77-F96 HydrophobicContact CG2-CG 4.26Å; V77-L97 WeakPolarHBondContact CA-O 3.4Å; V77-K98 HydrophobicContact CG2-CB 4.36Å
78Y98.8Very high87.9Confident5 Ų566.5 Ų66.52%0.0237%0.368CS..EExtended strand (participates in β ladder)trans-100110.5177.7-65.9-95.4000107.5I15 V17 V76 F96 L97 V99 Y142 M143 K146 E147I15-Y78 HydrophobicContact CG2-CD1 4.29Å; V17-Y78 HydrophobicContact CB-CD1 4.47Å; V17-Y78 HydrophobicContact CB-CE1 4.36Å; V17-Y78 HydrophobicContact CG1-CD1 4.25Å; V17-Y78 HydrophobicContact CG1-CE1 3.86Å; V17-Y78 HydrophobicContact CG2-CD1 3.67Å; V17-Y78 HydrophobicContact CG2-CE1 3.57Å; V76-Y78 HydrophobicContact CB-CE2 4.29Å; V76-Y78 HydrophobicContact CG1-CD2 4.2Å; V76-Y78 HydrophobicContact CG1-CE2 3.56Å; Y78-F96 CarbonylContact O-C 3.42Å; Y78-F96 WeakPolarHBondContact O-CA 3.22Å; Y78-F96 WeakPolarHBondContact O-CB 3.46Å; Y78-L97 PolarHBondContact N-O 2.9Å; Y78-L97 PolarHBondContact O-N 2.91Å; Y78-V99 HydrophobicContact CD2-CG2 4.41Å; Y78-V99 HydrophobicContact CE2-CG2 3.86Å; Y78-Y142 AromaticContact CD1-CD1 3.72Å; Y78-Y142 HydrophobicContact CD1-CD1 3.72Å; Y78-Y142 AromaticContact CD1-CE1 3.99Å; Y78-Y142 HydrophobicContact CD1-CE1 3.99Å; Y78-Y142 AromaticContact CE1-CD1 3.86Å; Y78-Y142 HydrophobicContact CE1-CD1 3.86Å; Y78-Y142 AromaticContact CE1-CE1 4Å; Y78-Y142 HydrophobicContact CE1-CE1 4Å; Y78-M143 HydrophobicContact CD1-CB 4.43Å; Y78-M143 HydrophobicContact CD2-CB 4.11Å; Y78-M143 HydrophobicContact CD2-CG 3.96Å; Y78-M143 HydrophobicContact CE1-CB 4.39Å; Y78-M143 HydrophobicContact CE2-CB 4.07Å; Y78-M143 HydrophobicContact CE2-CG 3.66Å; Y78-M143 HydrophobicContact CG-CB 4.32Å; Y78-K146 HydrophobicContact CE1-CB 3.99Å; Y78-K146 HydrophobicContact CE1-CG 4.04Å; Y78-K146 WeakPolarHBondContact OH-CB 3.46Å; Y78-E147 PolarHBondContact OH-OE1 3.43Å
79I98.4Very high86.6Confident1 Ų164.9 Ų64.91%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-100.5126.9179.2-57.1-179.7000109.1F11 I15 T16 L18 I46 L47 L50 V77 I93 F96F11-I79 HydrophobicContact CD2-CG2 4.48Å; F11-I79 HydrophobicContact CE2-CD1 3.89Å; F11-I79 HydrophobicContact CE2-CG2 4.13Å; F11-I79 HydrophobicContact CZ-CD1 3.86Å; I15-I79 WeakPolarHBondContact CA-O 3.49Å; T16-I79 PolarHBondContact N-O 3.02Å; T16-I79 PolarHBondContact O-N 3.19Å; L18-I79 HydrophobicContact CD1-CD1 3.73Å; I46-I79 HydrophobicContact CG2-CD1 4.29Å; L47-I79 HydrophobicContact CD2-CD1 3.92Å; L47-I79 HydrophobicContact CG-CD1 4.48Å; L50-I79 HydrophobicContact CD1-CD1 4.31Å; L50-I79 HydrophobicContact CD1-CG1 4.48Å; L50-I79 HydrophobicContact CD1-CG2 4.32Å; V77-I79 HydrophobicContact CG2-CG1 4.3Å; I79-I93 HydrophobicContact CG2-CD1 3.84Å; I79-I93 HydrophobicContact CG2-CG2 3.77Å; I79-F96 HydrophobicContact CG1-CB 4.32Å
80L97.9Very high85.8Confident0 Ų065 Ų650%037%0.368CS..EExtended strand (participates in β ladder)trans-96.6115.7174.9-177.966.1000110.3R14 I15 I94 G95 H135 L139R14-L80 HydrophobicContact CG-CD1 4.05Å; I15-L80 HydrophobicContact CD1-CD1 4.15Å; I15-L80 HydrophobicContact CG1-CD1 3.58Å; L80-I94 HydrophobicContact CB-CB 4.43Å; L80-I94 HydrophobicContact CD2-CB 4Å; L80-I94 HydrophobicContact CD2-CD1 4.21Å; L80-I94 HydrophobicContact CD2-CG2 3.81Å; L80-I94 HydrophobicContact CG-CB 4.05Å; L80-I94 HydrophobicContact CG-CD1 4.23Å; L80-I94 HydrophobicContact CG-CG2 4.42Å; L80-I94 PolarHBondContact O-N 3.39Å; L80-G95 PolarHBondContact N-O 3.46Å; L80-G95 PolarHBondContact O-N 3.49Å; L80-H135 HydrophobicContact CD2-CB 3.64Å; L80-L139 HydrophobicContact CB-CD1 4.1Å; L80-L139 HydrophobicContact CB-CD2 4.09Å
81K95.1Very high85.3Confident8 Ų865.2 Ų65.24%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-90.3146.8172.2-167.1-168.759.7172.70109.8V7 D8 F11 P12 R14 A92 I93V7-K81 HydrophobicContact CG1-CD 4.26Å; V7-K81 HydrophobicContact CG1-CG 4.21Å; D8-K81 WeakPolarHBondContact OD1-CD 3.16Å; D8-K81 WeakPolarHBondContact OD1-CE 3.38Å; D8-K81 IonicContact OD1-NZ 3.96Å; D8-K81 PolarHBondContact OD1-NZ 3.25Å; F11-K81 HydrophobicContact CB-CD 4.33Å; F11-K81 WeakPolarHBondContact O-CD 3.16Å; F11-K81 VanDerWaalsContact O-CE 3.3Å; F11-K81 WeakPolarHBondContact O-CE 3.44Å; F11-K81 PolarHBondContact O-NZ 3.23Å; P12-K81 PolarHBondContact O-NZ 3.28Å; R14-K81 PolarHBondContact NH1-O 3.12Å; R14-K81 PolarHBondContact O-N 3.37Å; K81-A92 WeakPolarHBondContact CG-O 3.45Å; K81-I93 HydrophobicContact CB-CD1 4.37Å; K81-I93 HydrophobicContact CG-CD1 4.33Å
82D91.3Very high85.1Confident31 Ų3161.9 Ų61.917%0.16636%0.357CS..EExtended strand (participates in β ladder)trans-75.5138.3164.4-164.66.1000110.6R14 A84 A85 A92 I94R14-D82 IonicContact NH1-OD1 3.02Å; D82-A84 PolarHBondContact OD1-N 3.18Å; D82-A85 HydrophobicContact CB-CB 4.46Å; D82-A85 PolarHBondContact OD2-N 3.49Å; D82-A92 HydrophobicContact CB-CB 4.46Å; D82-A92 PolarHBondContact N-O 2.9Å; D82-I94 HydrophobicContact CB-CD1 3.79Å; D82-I94 HydrophobicContact CB-CG1 3.78Å
83T81.3Confident85Confident79 Ų7957.9 Ų57.949%0.48533%0.329SS..SBendtrans-123.51.917757.10000111.8R14R14-T83 HydrophobicContact CB-CG2 3.82Å; R14-T83 HydrophobicContact CG-CG2 3.85Å; R14-T83 PolarHBondContact NH1-OG1 2.98Å
84A69.1Low85Confident86 Ų8655.9 Ų55.971%0.71132%0.319SS*.SBendtrans-101.1-9.4172.900000112.6D82D82-A84 PolarHBondContact OD1-N 3.18Å
85A61.5Low85.1Confident41 Ų4145.9 Ų45.934%0.33928%0.281SS..SBendtrans-53.1137.7166.900000110.4D82D82-A85 HydrophobicContact CB-CB 4.46Å; D82-A85 PolarHBondContact OD2-N 3.49Å
86R57.8Low85.1Confident218 Ų21845 Ų4582%0.82328%0.277SS*.  trans-58.8139.6-174-78.8-178.9-91.4-166.1-6.8110.9A88 G89R86-A88 PolarHBondContact O-N 2.76Å; R86-G89 PolarHBondContact O-N 3.18Å
87P56.6Low85.1Confident141 Ų14143.3 Ų43.392%0.91627%0.267SS*.THydrogen-bonded Turntrans-69.414.4-171.229.3-37.7000115.8
88A58.2Low85.1Confident105 Ų10543.6 Ų43.687%0.86827%0.268SS*.THydrogen-bonded Turntrans-105.4-3.2168.800000112.8R86R86-A88 PolarHBondContact O-N 2.76Å
89G70.9Confident85.1Confident47 Ų4743.4 Ų43.449%0.48527%0.267SS..SBendtrans-84.5166.2174.400000112.9R86 G91R86-G89 PolarHBondContact O-N 3.18Å; G89-G91 PolarHBondContact O-N 3.39Å
90K82Confident85.1Confident119 Ų11943.4 Ų43.452%0.51727%0.268SS..  trans-84.120.7175-72.1-178.8173.7177.80113.4P4 V7P4-K90 PolarHBondContact O-NZ 3.44Å; V7-K90 WeakPolarHBondContact CA-O 3.38Å; V7-K90 VanDerWaalsContact CB-O 3.28Å; V7-K90 WeakPolarHBondContact CB-O 3.48Å; V7-K90 PolarHBondContact N-O 2.98Å
91G87.1Confident85.1Confident6 Ų648.7 Ų48.76%0.06229%0.288CS..  trans67.7164.8-165.400000114.1D8 G89D8-G91 WeakPolarHBondContact OD2-CA 3.3Å; D8-G91 PolarHBondContact OD2-N 3.19Å; D8-G91 VanDerWaalsContact OD2-N 3.09Å; G89-G91 PolarHBondContact O-N 3.39Å
92A93.2Very high85.3Confident16 Ų1651.4 Ų51.413%0.13230%0.3CS..EExtended strand (participates in β ladder)trans-142.6148.4178.200000111.3M1 E2 K81 D82M1-A92 CarbonylContact O-C 3.48Å; M1-A92 WeakPolarHBondContact O-CA 3.16Å; E2-A92 HydrophobicContact CG-CB 4.41Å; K81-A92 WeakPolarHBondContact CG-O 3.45Å; D82-A92 HydrophobicContact CB-CB 4.46Å; D82-A92 PolarHBondContact N-O 2.9Å
93I96.6Very high85.5Confident2 Ų256.1 Ų56.11%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-93.2131.3172.7-55.3-58.9000110.2M1 F3 V7 F11 I46 L50 I79 K81M1-I93 PolarHBondContact N-O 3.43Å; M1-I93 PolarHBondContact O-N 3.22Å; F3-I93 HydrophobicContact CD2-CG1 4.33Å; F3-I93 HydrophobicContact CE2-CB 4.33Å; F3-I93 HydrophobicContact CE2-CG1 3.8Å; V7-I93 HydrophobicContact CG1-CD1 3.43Å; V7-I93 VanDerWaalsContact CG1-CD1 3.43Å; V7-I93 HydrophobicContact CG1-CG1 4.05Å; F11-I93 HydrophobicContact CD2-CD1 3.87Å; F11-I93 HydrophobicContact CE2-CD1 4.08Å; I46-I93 HydrophobicContact CG2-CG1 4.29Å; L50-I93 HydrophobicContact CD1-CG2 4.12Å; L50-I93 HydrophobicContact CD2-CG2 3.72Å; L50-I93 HydrophobicContact CG-CG2 4.45Å; I79-I93 HydrophobicContact CG2-CD1 3.84Å; I79-I93 HydrophobicContact CG2-CG2 3.77Å; K81-I93 HydrophobicContact CB-CD1 4.37Å; K81-I93 HydrophobicContact CG-CD1 4.33Å
94I97.4Very high86.3Confident5 Ų553 Ų533%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-86.6-38.6174.9-63.9176.8000110.9L80 D82 I126 H127 M130 H135L80-I94 HydrophobicContact CB-CB 4.43Å; L80-I94 HydrophobicContact CD2-CB 4Å; L80-I94 HydrophobicContact CD2-CD1 4.21Å; L80-I94 HydrophobicContact CD2-CG2 3.81Å; L80-I94 HydrophobicContact CG-CB 4.05Å; L80-I94 HydrophobicContact CG-CD1 4.23Å; L80-I94 HydrophobicContact CG-CG2 4.42Å; L80-I94 PolarHBondContact O-N 3.39Å; D82-I94 HydrophobicContact CB-CD1 3.79Å; D82-I94 HydrophobicContact CB-CG1 3.78Å; I94-I126 HydrophobicContact CG2-CG2 3.96Å; I94-H127 VanDerWaalsContact O-CB 3.26Å; I94-H127 WeakPolarHBondContact O-CB 3.44Å; I94-H127 PolarHBondContact O-N 3.07Å; I94-M130 HydrophobicContact CG2-CB 3.91Å; I94-M130 HydrophobicContact CG2-CG 4.26Å; I94-H135 HydrophobicContact CG2-CB 4.03Å
95G98.3Very high87.5Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans169.9-169.8-177.100000113.8L80 Y125L80-G95 PolarHBondContact N-O 3.46Å; L80-G95 PolarHBondContact O-N 3.49Å; G95-Y125 CarbonylContact C-O 3.52Å; G95-Y125 WeakPolarHBondContact CA-O 3.46Å
96F98.8Very high89.1Confident0 Ų053.1 Ų53.10%028%0.277CS..EExtended strand (participates in β ladder)trans-152.1160.6177.474.6-76.8000113.2L50 T65 V77 Y78 I79 K98 D123 F124 Y125L50-F96 HydrophobicContact CB-CD1 3.7Å; L50-F96 HydrophobicContact CB-CE1 3.72Å; L50-F96 HydrophobicContact CD1-CB 4.3Å; L50-F96 HydrophobicContact CD1-CD1 4.12Å; L50-F96 HydrophobicContact CD1-CG 4.41Å; L50-F96 HydrophobicContact CD2-CD1 4.07Å; L50-F96 HydrophobicContact CG-CD1 4.18Å; L50-F96 WeakPolarHBondContact O-CE1 3.35Å; T65-F96 HydrophobicContact CG2-CE2 3.83Å; T65-F96 HydrophobicContact CG2-CZ 4.22Å; V77-F96 HydrophobicContact CG2-CB 4.05Å; V77-F96 HydrophobicContact CG2-CD2 3.68Å; V77-F96 HydrophobicContact CG2-CG 4.26Å; Y78-F96 CarbonylContact O-C 3.42Å; Y78-F96 WeakPolarHBondContact O-CA 3.22Å; Y78-F96 WeakPolarHBondContact O-CB 3.46Å; I79-F96 HydrophobicContact CG1-CB 4.32Å; F96-K98 HydrophobicContact CD2-CB 4.35Å; F96-K98 HydrophobicContact CE2-CB 4.24Å; F96-D123 HydrophobicContact CE2-CB 3.91Å; F96-D123 HydrophobicContact CZ-CB 4.31Å; F96-D123 WeakPolarHBondContact CZ-OD2 3.39Å; F96-F124 WeakPolarHBondContact O-CD2 3.39Å; F96-Y125 HydrophobicContact CD1-CD1 4.22Å; F96-Y125 HydrophobicContact CE1-CD1 4.01Å; F96-Y125 HydrophobicContact CE1-CG 4.34Å; F96-Y125 PolarHBondContact N-O 2.7Å; F96-Y125 PolarHBondContact O-N 3.14Å
97L98.9Very high90.8Very high0 Ų044.1 Ų44.10%025%0.245CC..EExtended strand (participates in β ladder)trans-131.1120.5173170.660.1000108.3V77 Y78 V99 I121 F124 L139 F140 M143V77-L97 WeakPolarHBondContact CA-O 3.4Å; Y78-L97 PolarHBondContact N-O 2.9Å; Y78-L97 PolarHBondContact O-N 2.91Å; L97-V99 HydrophobicContact CD1-CG1 4.32Å; L97-V99 HydrophobicContact CG-CG1 4.21Å; L97-I121 HydrophobicContact CD1-CD1 4.43Å; L97-I121 HydrophobicContact CD1-CG2 3.92Å; L97-F124 HydrophobicContact CB-CD2 3.91Å; L97-F124 HydrophobicContact CB-CE2 4.29Å; L97-F124 HydrophobicContact CD1-CB 3.81Å; L97-F124 HydrophobicContact CD1-CD1 4.34Å; L97-F124 HydrophobicContact CD1-CD2 3.86Å; L97-F124 HydrophobicContact CD1-CG 3.76Å; L97-F124 HydrophobicContact CG-CD2 4.39Å; L97-L139 HydrophobicContact CB-CD2 3.77Å; L97-L139 HydrophobicContact CB-CG 3.91Å; L97-F140 HydrophobicContact CD2-CB 4.25Å; L97-F140 HydrophobicContact CD2-CD2 3.98Å; L97-F140 HydrophobicContact CD2-CG 4.33Å; L97-M143 HydrophobicContact CD2-CB 3.72Å; L97-M143 HydrophobicContact CD2-CE 4.14Å; L97-M143 HydrophobicContact CD2-CG 3.96Å
98K98.8Very high92.4Very high6 Ų638.4 Ų38.43%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-106.8127.9178.4-174.7-167.972.9-151.70109.8I64 T65 M70 H75 V76 V77 F96 L122 D123I64-K98 PolarHBondContact O-NZ 3.06Å; T65-K98 HydrophobicContact CG2-CD 4.12Å; T65-K98 WeakPolarHBondContact OG1-CD 3.18Å; T65-K98 PolarHBondContact OG1-NZ 3.07Å; M70-K98 HydrophobicContact SD-CD 4.03Å; M70-K98 HydrophobicContact SD-CG 4.13Å; H75-K98 HydrophobicContact CB-CG 4.35Å; V76-K98 WeakPolarHBondContact O-CA 3.41Å; V77-K98 HydrophobicContact CG2-CB 4.36Å; F96-K98 HydrophobicContact CD2-CB 4.35Å; F96-K98 HydrophobicContact CE2-CB 4.24Å; K98-L122 VanDerWaalsContact CE-O 3.3Å; K98-L122 WeakPolarHBondContact CE-O 3.18Å; K98-L122 PolarHBondContact NZ-O 3.43Å; K98-L122 PolarHBondContact O-N 3.28Å; K98-D123 HydrophobicContact CB-CB 4.01Å; K98-D123 HydrophobicContact CD-CB 4.45Å; K98-D123 PolarHBondContact N-O 2.8Å; K98-D123 PolarHBondContact O-N 3.36Å
99V98.8Very high93.7Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-127.6165.5178.1-55.80000111.2H75 V76 Y78 L97 L119 C120 I121 M143H75-V99 WeakPolarHBondContact CA-O 3.5Å; V76-V99 HydrophobicContact CB-CG2 4.06Å; V76-V99 PolarHBondContact N-O 3.47Å; V76-V99 PolarHBondContact O-N 2.85Å; Y78-V99 HydrophobicContact CD2-CG2 4.41Å; Y78-V99 HydrophobicContact CE2-CG2 3.86Å; L97-V99 HydrophobicContact CD1-CG1 4.32Å; L97-V99 HydrophobicContact CG-CG1 4.21Å; V99-L119 HydrophobicContact CB-CD1 4.07Å; V99-L119 HydrophobicContact CB-CD2 4.47Å; V99-L119 HydrophobicContact CB-CG 4.35Å; V99-L119 HydrophobicContact CG2-CD1 4.08Å; V99-C120 CarbonylContact C-O 3.5Å; V99-C120 WeakPolarHBondContact CA-O 3.42Å; V99-C120 WeakPolarHBondContact CB-O 3.29Å; V99-I121 HydrophobicContact CG1-CD1 3.58Å; V99-M143 HydrophobicContact CG1-CG 3.86Å; V99-M143 HydrophobicContact CG1-SD 4.11Å; V99-M143 HydrophobicContact CG2-CG 4.38Å
100G98.4Very high94.5Very high2 Ų246.9 Ų46.92%0.02121%0.211CC..EExtended strand (participates in β ladder)trans173.5151.8170.900000112.3C120G100-C120 PolarHBondContact N-O 2.95Å; G100-C120 WeakPolarHBondContact O-CB 3.21Å; G100-C120 PolarHBondContact O-N 2.82Å
101Y98.1Very high94.8Very high111 Ų11149.3 Ų49.344%0.43522%0.224SC..EExtended strand (participates in β ladder)trans-67.6139.8179.2-67.2-91.8000111P118 L119Y101-P118 WeakPolarHBondContact CA-O 3.41Å; Y101-L119 HydrophobicContact CD1-CB 4.32Å; Y101-L119 HydrophobicContact CD2-CD1 3.89Å; Y101-L119 HydrophobicContact CE1-CB 3.9Å; Y101-L119 HydrophobicContact CE1-CD1 4.45Å; Y101-L119 HydrophobicContact CE2-CD1 3.63Å; Y101-L119 HydrophobicContact CG-CD1 4.39Å
102K97.6Very high95Very high65 Ų6551 Ų5128%0.28324%0.238SC..  trans-140.8131.7175.4-66-65.7175.4-171.70110.2N73 H75 L104 E117 P118 C120 L122N73-K102 PolarHBondContact OD1-NZ 2.89Å; H75-K102 WeakPolarHBondContact NE2-CE 3.18Å; H75-K102 PolarHBondContact NE2-NZ 2.98Å; K102-L104 HydrophobicContact CB-CD2 4.3Å; K102-L104 HydrophobicContact CB-CG 4.39Å; K102-L104 PolarHBondContact O-N 3.08Å; K102-E117 WeakPolarHBondContact O-CA 3.3Å; K102-P118 PolarHBondContact N-O 2.95Å; K102-P118 WeakPolarHBondContact O-CD 3.35Å; K102-C120 HydrophobicContact CG-CB 4.34Å; K102-L122 HydrophobicContact CG-CD2 4.26Å
103K97.1Very high95Very high129 Ų12956.1 Ų56.156%0.56126%0.258SS*.  trans-65.3122.4163.6-70.9-174.6160.5-114.60109.8E115 V116 E117K103-E115 IonicContact NZ-OE1 3.75Å; K103-E115 PolarHBondContact NZ-OE1 3.22Å; K103-V116 CarbonylContact C-O 3.55Å; K103-V116 WeakPolarHBondContact CA-O 3.32Å; K103-E117 VanDerWaalsContact CE-OE2 3.23Å; K103-E117 WeakPolarHBondContact CE-OE2 3.48Å; K103-E117 HydrophobicContact CG-CB 4.17Å; K103-E117 HydrophobicContact CG-CG 4.05Å; K103-E117 WeakPolarHBondContact CG-OE2 3.39Å
104L96.3Very high94.8Very high15 Ų1558 Ų588%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-129.6141.5178.8-60.3178.9000109.2K102 V106 V116 P118 A155 F183K102-L104 HydrophobicContact CB-CD2 4.3Å; K102-L104 HydrophobicContact CB-CG 4.39Å; K102-L104 PolarHBondContact O-N 3.08Å; L104-V106 HydrophobicContact CB-CG1 3.93Å; L104-V106 HydrophobicContact CD1-CG1 4.46Å; L104-V116 HydrophobicContact CB-CG2 4.27Å; L104-V116 PolarHBondContact N-O 3.04Å; L104-V116 PolarHBondContact O-N 3.5Å; L104-P118 HydrophobicContact CD1-CG 3.98Å; L104-A155 HydrophobicContact CD1-CB 3.71Å; L104-F183 HydrophobicContact CD1-CB 4.23Å; L104-F183 HydrophobicContact CD1-CD1 3.88Å; L104-F183 HydrophobicContact CD1-CD2 4.24Å; L104-F183 HydrophobicContact CD1-CE1 4.34Å; L104-F183 HydrophobicContact CD1-CG 3.84Å; L104-F183 HydrophobicContact CD2-CD1 4.42Å; L104-F183 HydrophobicContact CD2-CD2 3.62Å; L104-F183 HydrophobicContact CD2-CE1 4.36Å; L104-F183 HydrophobicContact CD2-CE2 3.56Å; L104-F183 HydrophobicContact CD2-CG 4.09Å; L104-F183 HydrophobicContact CD2-CZ 3.97Å
105F95.4Very high94.7Very high128 Ų12863 Ų6356%0.56129%0.292SS*.EExtended strand (participates in β ladder)trans-92.9111.2159.5-63.9-82000107.1N114 E115 N181F105-N114 WeakPolarHBondContact CA-O 3.48Å; F105-E115 HydrophobicContact CD1-CB 4Å; F105-E115 HydrophobicContact CD1-CG 4.31Å; F105-E115 HydrophobicContact CE1-CB 3.71Å; F105-E115 HydrophobicContact CE1-CG 3.83Å; F105-E115 HydrophobicContact CZ-CB 4.49Å; F105-E115 HydrophobicContact CZ-CG 4.13Å; F105-N181 PolarHBondContact O-ND2 2.91Å
106V94.7Very high94.6Very high1 Ų163.9 Ų63.91%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-109.1150.4-179-62.20000110.7L104 H113 N114 V116 I185 F189 F190L104-V106 HydrophobicContact CB-CG1 3.93Å; L104-V106 HydrophobicContact CD1-CG1 4.46Å; V106-H113 WeakPolarHBondContact O-CA 3.39Å; V106-N114 HydrophobicContact CG2-CB 4.19Å; V106-N114 PolarHBondContact N-O 3.19Å; V106-N114 PolarHBondContact O-N 3.44Å; V106-V116 HydrophobicContact CB-CG2 4.38Å; V106-V116 HydrophobicContact CG1-CG2 3.85Å; V106-V116 HydrophobicContact CG2-CG1 4.27Å; V106-V116 HydrophobicContact CG2-CG2 3.61Å; V106-I185 HydrophobicContact CB-CD1 4.24Å; V106-F189 HydrophobicContact CG2-CE1 4.31Å; V106-F190 HydrophobicContact CB-CZ 4.31Å; V106-F190 HydrophobicContact CG2-CE1 3.62Å; V106-F190 HydrophobicContact CG2-CZ 3.56Å
107L93.6Very high94.5Very high29 Ų2969 Ų6915%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-88.3137.1167.4-73166.8000109.7E111 A112 H113 Q179 V180 F190L107-E111 VanDerWaalsContact CD2-O 3.3Å; L107-E111 WeakPolarHBondContact CD2-O 3.37Å; L107-A112 WeakPolarHBondContact CA-O 3.33Å; L107-H113 VanDerWaalsContact CD2-CE1 3.44Å; L107-H113 WeakPolarHBondContact CD2-CE1 3.3Å; L107-Q179 PolarHBondContact O-NE2 2.97Å; L107-V180 HydrophobicContact CD1-CG1 3.93Å; L107-V180 HydrophobicContact CD1-CG2 4.27Å; L107-F190 WeakPolarHBondContact O-CZ 3.48Å
108D89.8Confident94.4Very high21 Ų2169.8 Ų69.811%0.11233%0.326CS..  trans-90-177.5166.364.225.4000112.1R110 E111 A112 N114 F190D108-R110 PolarHBondContact O-N 3.22Å; D108-R110 WeakPolarHBondContact OD1-CA 3.26Å; D108-R110 WeakPolarHBondContact OD1-CB 3.44Å; D108-R110 PolarHBondContact OD1-N 3.43Å; D108-E111 PolarHBondContact O-N 3.06Å; D108-E111 PolarHBondContact OD1-N 3.13Å; D108-A112 PolarHBondContact N-O 2.87Å; D108-A112 VanDerWaalsContact N-O 3.14Å; D108-A112 PolarHBondContact OD1-N 3.37Å; D108-N114 PolarHBondContact OD2-ND2 2.83Å; D108-F190 HydrophobicContact CB-CD2 4.26Å; D108-F190 HydrophobicContact CB-CE1 4.29Å; D108-F190 HydrophobicContact CB-CE2 3.91Å; D108-F190 HydrophobicContact CB-CZ 3.92Å
109D86.1Confident94.4Very high130 Ų13069.8 Ų69.870%0.69533%0.326SS*.THydrogen-bonded Turntrans-67.2-7.3178.164.2-48.6000113.9
110R88.3Confident94.4Very high199 Ų19969.8 Ų69.875%0.75133%0.326SS*.THydrogen-bonded Turntrans-111.716.2-179.7-57.4172.460.8-133.2-5.1111.9D108 A112D108-R110 PolarHBondContact O-N 3.22Å; D108-R110 WeakPolarHBondContact OD1-CA 3.26Å; D108-R110 WeakPolarHBondContact OD1-CB 3.44Å; D108-R110 PolarHBondContact OD1-N 3.43Å; R110-A112 PolarHBondContact O-N 3.01Å
111E87.3Confident94.4Very high171 Ų17169.9 Ų69.980%0.79933%0.326SS*.SBendtrans59.218-177-53.8-172.4155.300114.4L107 D108L107-E111 VanDerWaalsContact CD2-O 3.3Å; L107-E111 WeakPolarHBondContact CD2-O 3.37Å; D108-E111 PolarHBondContact O-N 3.06Å; D108-E111 PolarHBondContact OD1-N 3.13Å
112A91.6Very high94.4Very high41 Ų4165.2 Ų65.234%0.33931%0.309SS..  trans-88138.5178.800000111.8L107 D108 R110 N114L107-A112 WeakPolarHBondContact CA-O 3.33Å; D108-A112 PolarHBondContact N-O 2.87Å; D108-A112 VanDerWaalsContact N-O 3.14Å; D108-A112 PolarHBondContact OD1-N 3.37Å; R110-A112 PolarHBondContact O-N 3.01Å; A112-N114 PolarHBondContact O-ND2 3.38Å; A112-N114 VanDerWaalsContact O-ND2 3.09Å
113H92.9Very high94.5Very high123 Ų12362.4 Ų62.457%0.56930%0.297SS*.EExtended strand (participates in β ladder)trans-82.3118.6177.3-75.7-65.6000111.6V106 L107V106-H113 WeakPolarHBondContact O-CA 3.39Å; L107-H113 VanDerWaalsContact CD2-CE1 3.44Å; L107-H113 WeakPolarHBondContact CD2-CE1 3.3Å
114N92.7Very high94.5Very high43 Ų4358.1 Ų58.123%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-113.6128.3178.7-67.2-85.2000110.1F105 V106 D108 A112 V116 F190F105-N114 WeakPolarHBondContact CA-O 3.48Å; V106-N114 HydrophobicContact CG2-CB 4.19Å; V106-N114 PolarHBondContact N-O 3.19Å; V106-N114 PolarHBondContact O-N 3.44Å; D108-N114 PolarHBondContact OD2-ND2 2.83Å; A112-N114 PolarHBondContact O-ND2 3.38Å; A112-N114 VanDerWaalsContact O-ND2 3.09Å; N114-V116 HydrophobicContact CB-CG1 4.49Å; N114-F190 HydrophobicContact CB-CE1 4.46Å
115E95.2Very high94.6Very high110 Ų11058 Ų5851%0.51428%0.277SS..EExtended strand (participates in β ladder)trans-79.6124.2167.9-168.3-173.6149.300109.4K103 F105K103-E115 IonicContact NZ-OE1 3.75Å; K103-E115 PolarHBondContact NZ-OE1 3.22Å; F105-E115 HydrophobicContact CD1-CB 4Å; F105-E115 HydrophobicContact CD1-CG 4.31Å; F105-E115 HydrophobicContact CE1-CB 3.71Å; F105-E115 HydrophobicContact CE1-CG 3.83Å; F105-E115 HydrophobicContact CZ-CB 4.49Å; F105-E115 HydrophobicContact CZ-CG 4.13Å
116V95.4Very high94.8Very high17 Ų1752.6 Ų52.610%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-138.3153.7-179.3-66.50000110.6K103 L104 V106 N114 P118 F189K103-V116 CarbonylContact C-O 3.55Å; K103-V116 WeakPolarHBondContact CA-O 3.32Å; L104-V116 HydrophobicContact CB-CG2 4.27Å; L104-V116 PolarHBondContact N-O 3.04Å; L104-V116 PolarHBondContact O-N 3.5Å; V106-V116 HydrophobicContact CB-CG2 4.38Å; V106-V116 HydrophobicContact CG1-CG2 3.85Å; V106-V116 HydrophobicContact CG2-CG1 4.27Å; V106-V116 HydrophobicContact CG2-CG2 3.61Å; N114-V116 HydrophobicContact CB-CG1 4.49Å; V116-P118 HydrophobicContact CG2-CG 4.35Å; V116-P118 WeakPolarHBondContact O-CD 3.39Å; V116-F189 HydrophobicContact CG2-CE1 4.31Å; V116-F189 HydrophobicContact CG2-CZ 4.26Å
117E97.1Very high95Very high108 Ų10855.1 Ų55.151%0.50527%0.265SS..  trans-12367.4172.8-170.7156.3-161.400111K102 K103K102-E117 WeakPolarHBondContact O-CA 3.3Å; K103-E117 VanDerWaalsContact CE-OE2 3.23Å; K103-E117 WeakPolarHBondContact CE-OE2 3.48Å; K103-E117 HydrophobicContact CG-CB 4.17Å; K103-E117 HydrophobicContact CG-CG 4.05Å; K103-E117 WeakPolarHBondContact CG-OE2 3.39Å
118P97.3Very high95.1Very high16 Ų1658.2 Ų58.210%0.10428%0.279CS..PPolyproline II helixtrans-70.5163.9177.632.1-39.2000112Y101 K102 L104 V116 C120 A155 F189Y101-P118 WeakPolarHBondContact CA-O 3.41Å; K102-P118 PolarHBondContact N-O 2.95Å; K102-P118 WeakPolarHBondContact O-CD 3.35Å; L104-P118 HydrophobicContact CD1-CG 3.98Å; V116-P118 HydrophobicContact CG2-CG 4.35Å; V116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-C120 PolarHBondContact O-N 3.33Å; P118-A155 HydrophobicContact CB-CB 4.49Å; P118-A155 HydrophobicContact CG-CB 3.95Å; P118-F189 HydrophobicContact CB-CE2 3.89Å; P118-F189 HydrophobicContact CB-CZ 3.86Å; P118-F189 HydrophobicContact CG-CE2 4.28Å; P118-F189 HydrophobicContact CG-CZ 3.95Å
119L98.4Very high95.4Very high7 Ų760.7 Ų60.74%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-71.9124.9161-176.873.1000109V99 Y101 M143 E147 V149 L154 A155V99-L119 HydrophobicContact CB-CD1 4.07Å; V99-L119 HydrophobicContact CB-CD2 4.47Å; V99-L119 HydrophobicContact CB-CG 4.35Å; V99-L119 HydrophobicContact CG2-CD1 4.08Å; Y101-L119 HydrophobicContact CD1-CB 4.32Å; Y101-L119 HydrophobicContact CD2-CD1 3.89Å; Y101-L119 HydrophobicContact CE1-CB 3.9Å; Y101-L119 HydrophobicContact CE1-CD1 4.45Å; Y101-L119 HydrophobicContact CE2-CD1 3.63Å; Y101-L119 HydrophobicContact CG-CD1 4.39Å; L119-M143 HydrophobicContact CD2-SD 4.12Å; L119-E147 HydrophobicContact CD2-CB 3.76Å; L119-E147 HydrophobicContact CD2-CG 3.69Å; L119-V149 HydrophobicContact CD2-CG1 4.48Å; L119-V149 HydrophobicContact CD2-CG2 3.98Å; L119-L154 HydrophobicContact CB-CD2 4.24Å; L119-L154 HydrophobicContact CD2-CD2 3.93Å; L119-L154 HydrophobicContact CG-CD2 4.23Å; L119-A155 PolarHBondContact O-N 2.92Å
120C98.6Very high95.8Very high0 Ų057 Ų570%028%0.277CS..EExtended strand (participates in β ladder)trans-102.6144.8177.5-62.30000112.7V99 G100 K102 P118 L122 A155 F183V99-C120 CarbonylContact C-O 3.5Å; V99-C120 WeakPolarHBondContact CA-O 3.42Å; V99-C120 WeakPolarHBondContact CB-O 3.29Å; G100-C120 PolarHBondContact N-O 2.95Å; G100-C120 WeakPolarHBondContact O-CB 3.21Å; G100-C120 PolarHBondContact O-N 2.82Å; K102-C120 HydrophobicContact CG-CB 4.34Å; P118-C120 PolarHBondContact O-N 3.33Å; C120-L122 HydrophobicContact CB-CD2 3.59Å; C120-L122 HydrophobicContact CB-CG 3.92Å; C120-A155 CarbonylContact C-O 3.57Å; C120-A155 WeakPolarHBondContact CA-O 3.44Å; C120-F183 HydrophobicContact CB-CE1 3.89Å
121I98.8Very high96.2Very high4 Ų449.8 Ų49.82%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-82.7123.2160-51.7-53.1000107.8L97 V99 F140 M143 L154 A155 I156 D157L97-I121 HydrophobicContact CD1-CD1 4.43Å; L97-I121 HydrophobicContact CD1-CG2 3.92Å; V99-I121 HydrophobicContact CG1-CD1 3.58Å; I121-F140 HydrophobicContact CD1-CE2 4.07Å; I121-F140 HydrophobicContact CD1-CZ 4.35Å; I121-F140 HydrophobicContact CG1-CE2 4.19Å; I121-F140 HydrophobicContact CG1-CZ 4.47Å; I121-M143 HydrophobicContact CD1-CE 3.74Å; I121-L154 HydrophobicContact CD1-CD1 4.03Å; I121-L154 HydrophobicContact CD1-CD2 4.16Å; I121-L154 HydrophobicContact CG1-CD1 4.17Å; I121-A155 PolarHBondContact N-O 2.98Å; I121-I156 HydrophobicContact CB-CB 4.41Å; I121-I156 HydrophobicContact CB-CG1 4.08Å; I121-I156 HydrophobicContact CB-CG2 4.08Å; I121-I156 HydrophobicContact CG1-CD1 4.31Å; I121-I156 HydrophobicContact CG1-CG1 4.01Å; I121-I156 HydrophobicContact CG2-CG2 4.4Å; I121-D157 PolarHBondContact O-N 2.85Å
122L98.6Very high96.6Very high12 Ų1253.8 Ų53.86%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-125.9-12.1-164.7-64.1177.4000115H75 K98 K102 C120 D157 F183H75-L122 VanDerWaalsContact NE2-CD1 3.33Å; H75-L122 WeakPolarHBondContact NE2-CD1 3.4Å; K98-L122 VanDerWaalsContact CE-O 3.3Å; K98-L122 WeakPolarHBondContact CE-O 3.18Å; K98-L122 PolarHBondContact NZ-O 3.43Å; K98-L122 PolarHBondContact O-N 3.28Å; K102-L122 HydrophobicContact CG-CD2 4.26Å; C120-L122 HydrophobicContact CB-CD2 3.59Å; C120-L122 HydrophobicContact CB-CG 3.92Å; L122-D157 HydrophobicContact CD2-CB 4.19Å; L122-F183 HydrophobicContact CD2-CE1 4.11Å; L122-F183 HydrophobicContact CD2-CZ 4.34Å
123D98.6Very high96.8Very high7 Ų757.8 Ų57.84%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-171.2144165.2-164.4-9.6000108S54 Q58 I64 T65 F96 K98S54-D123 PolarHBondContact OG-OD1 2.81Å; Q58-D123 PolarHBondContact NE2-OD1 3.24Å; Q58-D123 VanDerWaalsContact NE2-OD1 3.09Å; I64-D123 HydrophobicContact CD1-CB 4.08Å; I64-D123 HydrophobicContact CG1-CB 4.29Å; I64-D123 WeakPolarHBondContact CG1-OD2 3.42Å; T65-D123 WeakPolarHBondContact CB-OD2 3.2Å; T65-D123 VanDerWaalsContact OG1-CB 3.3Å; T65-D123 WeakPolarHBondContact OG1-CB 3.15Å; T65-D123 PolarHBondContact OG1-OD2 3.18Å; F96-D123 HydrophobicContact CE2-CB 3.91Å; F96-D123 HydrophobicContact CZ-CB 4.31Å; F96-D123 WeakPolarHBondContact CZ-OD2 3.39Å; K98-D123 HydrophobicContact CB-CB 4.01Å; K98-D123 HydrophobicContact CD-CB 4.45Å; K98-D123 PolarHBondContact N-O 2.8Å; K98-D123 PolarHBondContact O-N 3.36Å
124F98.8Very high97.1Very high38 Ų3854 Ų5417%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-155116.3-179-178.3-156.2000110.9F96 L97 I126 G136 L139 F140 L163 F166F96-F124 WeakPolarHBondContact O-CD2 3.39Å; L97-F124 HydrophobicContact CB-CD2 3.91Å; L97-F124 HydrophobicContact CB-CE2 4.29Å; L97-F124 HydrophobicContact CD1-CB 3.81Å; L97-F124 HydrophobicContact CD1-CD1 4.34Å; L97-F124 HydrophobicContact CD1-CD2 3.86Å; L97-F124 HydrophobicContact CD1-CG 3.76Å; L97-F124 HydrophobicContact CG-CD2 4.39Å; F124-I126 HydrophobicContact CE2-CD1 4.36Å; F124-I126 HydrophobicContact CE2-CG1 4.35Å; F124-G136 WeakPolarHBondContact CZ-O 3.44Å; F124-L139 HydrophobicContact CE2-CD2 4.48Å; F124-F140 HydrophobicContact CE1-CD2 4.14Å; F124-F140 HydrophobicContact CZ-CD2 4.49Å; F124-L163 HydrophobicContact CD1-CD1 3.68Å; F124-L163 HydrophobicContact CD1-CD2 4.47Å; F124-L163 HydrophobicContact CE1-CD1 3.93Å; F124-F166 HydrophobicContact CE1-CD1 4.27Å; F124-F166 AromaticContact CE1-CE1 3.9Å; F124-F166 HydrophobicContact CE1-CE1 3.9Å; F124-F166 HydrophobicContact CE1-CZ 4.2Å; F124-F166 HydrophobicContact CZ-CE1 4.4Å; F124-F166 HydrophobicContact CZ-CZ 4.26Å
125Y98.7Very high97.3Very high12 Ų1253.2 Ų53.25%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-141.1135.7-174.1169.4-106.2000111.7M1 A53 A57 G95 F96 E128M1-Y125 HydrophobicContact SD-CE1 4.15Å; A53-Y125 HydrophobicContact CB-CD1 4.46Å; A53-Y125 HydrophobicContact CB-CE1 3.66Å; A57-Y125 HydrophobicContact CB-CD2 3.84Å; A57-Y125 HydrophobicContact CB-CE2 3.65Å; G95-Y125 CarbonylContact C-O 3.52Å; G95-Y125 WeakPolarHBondContact CA-O 3.46Å; F96-Y125 HydrophobicContact CD1-CD1 4.22Å; F96-Y125 HydrophobicContact CE1-CD1 4.01Å; F96-Y125 HydrophobicContact CE1-CG 4.34Å; F96-Y125 PolarHBondContact N-O 2.7Å; F96-Y125 PolarHBondContact O-N 3.14Å; Y125-E128 PolarHBondContact OH-OE2 2.99Å
126I98.6Very high97.5Very high15 Ų1548.6 Ų48.68%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-123.5131.8168-59.3-60000106.1I94 F124 M130 Q131 H135 L139I94-I126 HydrophobicContact CG2-CG2 3.96Å; F124-I126 HydrophobicContact CE2-CD1 4.36Å; F124-I126 HydrophobicContact CE2-CG1 4.35Å; I126-M130 HydrophobicContact CG2-CB 4.05Å; I126-Q131 HydrophobicContact CB-CG 4.27Å; I126-Q131 HydrophobicContact CG2-CG 4.29Å; I126-Q131 VanDerWaalsContact O-CG 3.29Å; I126-Q131 WeakPolarHBondContact O-CG 3.43Å; I126-Q131 PolarHBondContact O-NE2 2.83Å; I126-H135 HydrophobicContact CD1-CB 4.41Å; I126-H135 HydrophobicContact CG2-CB 4.38Å; I126-L139 HydrophobicContact CD1-CD2 4.37Å
127H97.9Very high97.6Very high54 Ų5453.5 Ų53.525%0.2526%0.259CS..  trans-49.9137.9178.4-171.4-107.3000111.8M1 I94 S129 M130 Q131M1-H127 VanDerWaalsContact CG-CD2 3.41Å; M1-H127 WeakPolarHBondContact CG-CD2 3.5Å; I94-H127 VanDerWaalsContact O-CB 3.26Å; I94-H127 WeakPolarHBondContact O-CB 3.44Å; I94-H127 PolarHBondContact O-N 3.07Å; H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact ND1-OG 2.9Å; H127-S129 PolarHBondContact O-N 3.38Å; H127-M130 CarbonylContact O-C 3.57Å; H127-M130 WeakPolarHBondContact O-CA 3.37Å; H127-M130 PolarHBondContact O-N 2.84Å; H127-Q131 PolarHBondContact O-N 2.88Å; H127-Q131 VanDerWaalsContact O-N 3.13Å
128E96.9Very high97.7Very high95 Ų9551.2 Ų51.244%0.44425%0.248SC..G310 helixtrans-53.8-43.7-166.5-75.475.9-178.300112.7A57 Y125 M130 Q131A57-E128 WeakPolarHBondContact CB-OE1 3.34Å; Y125-E128 PolarHBondContact OH-OE2 2.99Å; E128-M130 PolarHBondContact O-N 2.56Å; E128-Q131 PolarHBondContact O-N 3.34Å
129S95.3Very high97.7Very high73 Ų7350.5 Ų50.551%0.5124%0.243SC..G310 helixtrans-62.8-24.5177.166.70000114.1H127 H133H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact ND1-OG 2.9Å; H127-S129 PolarHBondContact O-N 3.38Å; S129-H133 PolarHBondContact O-CE1 3.45Å
130M95.3Very high97.7Very high51 Ų5150.1 Ų50.125%0.25124%0.241SC..G310 helixtrans-105.1-1.9-174.6-52.8-48.9-73.400112.5I94 I126 H127 E128 H133I94-M130 HydrophobicContact CG2-CB 3.91Å; I94-M130 HydrophobicContact CG2-CG 4.26Å; I126-M130 HydrophobicContact CG2-CB 4.05Å; H127-M130 CarbonylContact O-C 3.57Å; H127-M130 WeakPolarHBondContact O-CA 3.37Å; H127-M130 PolarHBondContact O-N 2.84Å; E128-M130 PolarHBondContact O-N 2.56Å; M130-H133 PolarHBondContact O-N 2.68Å; M130-H133 PolarHBondContact O-ND1 3Å
131Q96.2Very high97.7Very high49 Ų4954 Ų5423%0.22926%0.26CS..THydrogen-bonded Turntrans-60.8150.1175.6-69.9179.521.900111I126 H127 E128 H133I126-Q131 HydrophobicContact CB-CG 4.27Å; I126-Q131 HydrophobicContact CG2-CG 4.29Å; I126-Q131 VanDerWaalsContact O-CG 3.29Å; I126-Q131 WeakPolarHBondContact O-CG 3.43Å; I126-Q131 PolarHBondContact O-NE2 2.83Å; H127-Q131 PolarHBondContact O-N 2.88Å; H127-Q131 VanDerWaalsContact O-N 3.13Å; E128-Q131 PolarHBondContact O-N 3.34Å; Q131-H133 PolarHBondContact O-N 3.35Å; Q131-H133 VanDerWaalsContact O-N 3.13Å; Q131-H133 PolarHBondContact O-ND1 3.37Å
132R96.3Very high97.7Very high255 Ų25556.9 Ų56.996%0.96227%0.271SS*.THydrogen-bonded Turntrans67.6-9.5-176.9-54.5179.1176.6174-0.6116.9G134R132-G134 PolarHBondContact O-N 2.92Å
133H96.4Very high97.8Very high125 Ų12556.3 Ų56.358%0.57927%0.268SS*.SBendtrans-78.428.5176.7-59.789.2000114.8S129 M130 Q131 H135S129-H133 PolarHBondContact O-CE1 3.45Å; M130-H133 PolarHBondContact O-N 2.68Å; M130-H133 PolarHBondContact O-ND1 3Å; Q131-H133 PolarHBondContact O-N 3.35Å; Q131-H133 VanDerWaalsContact O-N 3.13Å; Q131-H133 PolarHBondContact O-ND1 3.37Å; H133-H135 PolarHBondContact O-N 3.49Å
134G97.2Very high97.8Very high42 Ų4257 Ų5743%0.43327%0.271SS..SBendtrans76.9-21.8178.400000116.7R132 G136 R137 E138R132-G134 PolarHBondContact O-N 2.92Å; G134-G136 PolarHBondContact O-N 2.92Å; G134-R137 WeakPolarHBondContact O-CA 3.26Å; G134-R137 WeakPolarHBondContact O-CB 3.22Å; G134-R137 PolarHBondContact O-N 3.47Å; G134-E138 PolarHBondContact O-N 2.97Å; G134-E138 VanDerWaalsContact O-N 3.13Å
135H98.1Very high97.7Very high28 Ų2861.4 Ų61.413%0.1329%0.292CS..Hα-helixtrans-51-32.8-178.4-64.9-44.2000116.1R14 L80 I94 I126 H133 E138 L139R14-H135 PolarHBondContact NH2-ND1 2.89Å; L80-H135 HydrophobicContact CD2-CB 3.64Å; I94-H135 HydrophobicContact CG2-CB 4.03Å; I126-H135 HydrophobicContact CD1-CB 4.41Å; I126-H135 HydrophobicContact CG2-CB 4.38Å; H133-H135 PolarHBondContact O-N 3.49Å; H135-E138 IonicContact CE1-OE2 3.01Å; H135-E138 IonicContact CG-OE2 2.87Å; H135-E138 IonicContact ND1-OE2 3.97Å; H135-E138 PolarHBondContact ND1-OE2 3.38Å; H135-L139 WeakPolarHBondContact O-CB 3.36Å; H135-L139 PolarHBondContact O-N 3.48Å
136G98.4Very high97.7Very high13 Ų1366.3 Ų66.313%0.13431%0.314CS..Hα-helixtrans-64.4-39.6173.300000112.7F124 G134 F140 F166F124-G136 WeakPolarHBondContact CZ-O 3.44Å; G134-G136 PolarHBondContact O-N 2.92Å; G136-F140 VanDerWaalsContact O-CB 3.26Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 2.63Å; G136-F140 VanDerWaalsContact O-N 3.08Å; G136-F166 WeakPolarHBondContact O-CZ 3.38Å
137R98.6Very high97.7Very high120 Ų12067.5 Ų67.545%0.45332%0.319SS..Hα-helixtrans-69.1-45.6177-176.9-170.2175.3173.74.8110.3G134 L139 F140 Q141 F166G134-R137 WeakPolarHBondContact O-CA 3.26Å; G134-R137 WeakPolarHBondContact O-CB 3.22Å; G134-R137 PolarHBondContact O-N 3.47Å; R137-L139 PolarHBondContact O-N 2.84Å; R137-F140 PolarHBondContact O-N 2.88Å; R137-Q141 WeakPolarHBondContact O-CB 3.47Å; R137-Q141 PolarHBondContact O-N 3.08Å; R137-F166 HydrophobicContact CB-CE2 4.12Å; R137-F166 HydrophobicContact CB-CZ 4.44Å
138E98.4Very high97.6Very high60 Ų6075.7 Ų75.728%0.2835%0.347SS..Hα-helixtrans-50.8-53.3175.6176.4-176.9-164.800111.5R14 I15 G134 H135 Y142R14-E138 IonicContact CZ-OE1 3.92Å; R14-E138 VanDerWaalsContact CZ-OE1 3.28Å; R14-E138 IonicContact CZ-OE2 2.67Å; R14-E138 IonicContact NE-OE1 3.98Å; R14-E138 PolarHBondContact NE-OE1 3.34Å; R14-E138 VanDerWaalsContact NH2-CD 3.35Å; R14-E138 IonicContact NH2-OE1 3.87Å; R14-E138 PolarHBondContact NH2-OE1 3.12Å; R14-E138 IonicContact NH2-OE2 2.68Å; R14-E138 PolarHBondContact NH2-OE2 3.37Å; I15-E138 HydrophobicContact CD1-CG 4.36Å; G134-E138 PolarHBondContact O-N 2.97Å; G134-E138 VanDerWaalsContact O-N 3.13Å; H135-E138 IonicContact CE1-OE2 3.01Å; H135-E138 IonicContact CG-OE2 2.87Å; H135-E138 IonicContact ND1-OE2 3.97Å; H135-E138 PolarHBondContact ND1-OE2 3.38Å; E138-Y142 PolarHBondContact O-N 3.05Å; E138-Y142 VanDerWaalsContact O-N 3.08Å
139L98.4Very high97.6Very high0 Ų072 Ų720%033%0.332CS..Hα-helixtrans-69.3-39.7-177.5-16958.4000113I15 L80 L97 F124 I126 H135 R137 M143I15-L139 HydrophobicContact CD1-CD1 3.95Å; I15-L139 HydrophobicContact CG1-CD1 4.06Å; I15-L139 HydrophobicContact CG2-CD1 3.8Å; L80-L139 HydrophobicContact CB-CD1 4.1Å; L80-L139 HydrophobicContact CB-CD2 4.09Å; L97-L139 HydrophobicContact CB-CD2 3.77Å; L97-L139 HydrophobicContact CB-CG 3.91Å; F124-L139 HydrophobicContact CE2-CD2 4.48Å; I126-L139 HydrophobicContact CD1-CD2 4.37Å; H135-L139 WeakPolarHBondContact O-CB 3.36Å; H135-L139 PolarHBondContact O-N 3.48Å; R137-L139 PolarHBondContact O-N 2.84Å; L139-M143 PolarHBondContact O-N 3.03Å; L139-M143 VanDerWaalsContact O-N 3.09Å
140F98.8Very high97.7Very high0 Ų073.9 Ų73.90%033%0.332CS..Hα-helixtrans-68.6-41.7177.9-160.4-79.3000111.6L97 I121 F124 G136 R137 Y142 M143 L144 L154 F166 L167 Y171L97-F140 HydrophobicContact CD2-CB 4.25Å; L97-F140 HydrophobicContact CD2-CD2 3.98Å; L97-F140 HydrophobicContact CD2-CG 4.33Å; I121-F140 HydrophobicContact CD1-CE2 4.07Å; I121-F140 HydrophobicContact CD1-CZ 4.35Å; I121-F140 HydrophobicContact CG1-CE2 4.19Å; I121-F140 HydrophobicContact CG1-CZ 4.47Å; F124-F140 HydrophobicContact CE1-CD2 4.14Å; F124-F140 HydrophobicContact CZ-CD2 4.49Å; G136-F140 VanDerWaalsContact O-CB 3.26Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 2.63Å; G136-F140 VanDerWaalsContact O-N 3.08Å; R137-F140 PolarHBondContact O-N 2.88Å; F140-Y142 VanDerWaalsContact C-N 3.35Å; F140-Y142 PolarHBondContact O-N 3.04Å; F140-M143 HydrophobicContact CD1-CE 3.99Å; F140-M143 HydrophobicContact CD2-CE 4.23Å; F140-M143 HydrophobicContact CE1-CE 3.95Å; F140-M143 HydrophobicContact CE2-CE 4.17Å; F140-M143 HydrophobicContact CG-CE 4.16Å; F140-M143 HydrophobicContact CZ-CE 4.04Å; F140-M143 WeakPolarHBondContact O-CB 3.34Å; F140-M143 PolarHBondContact O-N 2.82Å; F140-L144 HydrophobicContact CD1-CD1 3.8Å; F140-L144 HydrophobicContact CD1-CD2 4.37Å; F140-L144 HydrophobicContact CD1-CG 3.93Å; F140-L144 HydrophobicContact CE1-CD1 3.94Å; F140-L144 HydrophobicContact CE1-CD2 3.96Å; F140-L144 HydrophobicContact CE1-CG 4.02Å; F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 2.93Å; F140-L154 HydrophobicContact CE1-CD1 3.95Å; F140-L154 HydrophobicContact CZ-CD1 3.55Å; F140-F166 HydrophobicContact CB-CE1 4.24Å; F140-F166 HydrophobicContact CB-CZ 3.99Å; F140-F166 AromaticContact CD2-CE1 3.94Å; F140-F166 HydrophobicContact CD2-CE1 3.94Å; F140-F166 HydrophobicContact CE2-CE1 4.43Å; F140-F166 HydrophobicContact CG-CE1 4.06Å; F140-F166 HydrophobicContact CG-CZ 4.31Å; F140-L167 HydrophobicContact CE1-CD2 4.47Å; F140-L167 HydrophobicContact CE2-CD2 4.04Å; F140-L167 HydrophobicContact CZ-CD2 3.72Å; F140-Y171 HydrophobicContact CD1-CD2 4.38Å; F140-Y171 HydrophobicContact CD1-CE1 4.47Å; F140-Y171 AromaticContact CD1-CE2 3.46Å; F140-Y171 HydrophobicContact CD1-CE2 3.46Å; F140-Y171 VanDerWaalsContact CD1-CE2 3.46Å; F140-Y171 AromaticContact CD1-CZ 3.53Å; F140-Y171 WeakPolarHBondContact CD1-OH 3.41Å; F140-Y171 HydrophobicContact CE1-CD2 4.13Å; F140-Y171 AromaticContact CE1-CE2 3.65Å; F140-Y171 HydrophobicContact CE1-CE2 3.65Å; F140-Y171 HydrophobicContact CG-CE2 4.16Å; F140-Y171 HydrophobicContact CZ-CE2 4.49Å
141Q98.7Very high97.8Very high82 Ų8272.1 Ų72.138%0.38332%0.324SS..Hα-helixtrans-64.1-38.4176.5-177.3172.9-1800111.9R137 Q145R137-Q141 WeakPolarHBondContact O-CB 3.47Å; R137-Q141 PolarHBondContact O-N 3.08Å; Q141-Q145 VanDerWaalsContact O-CG 3.32Å; Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 3.38Å
142Y98.8Very high97.8Very high64 Ų6472.2 Ų72.225%0.25133%0.325SS..Hα-helixtrans-63.7-42.1173-171.4-80.3000111.9I15 V17 Y78 E138 F140 Q145 K146I15-Y142 HydrophobicContact CB-CD1 4.38Å; I15-Y142 HydrophobicContact CB-CD2 4.31Å; I15-Y142 HydrophobicContact CB-CE1 4.28Å; I15-Y142 HydrophobicContact CB-CE2 4.2Å; I15-Y142 HydrophobicContact CB-CG 4.39Å; I15-Y142 HydrophobicContact CD1-CD1 4.33Å; I15-Y142 HydrophobicContact CD1-CD2 3.71Å; I15-Y142 HydrophobicContact CD1-CE2 4.4Å; I15-Y142 HydrophobicContact CD1-CG 3.65Å; I15-Y142 HydrophobicContact CG2-CD1 3.68Å; I15-Y142 HydrophobicContact CG2-CD2 4.48Å; I15-Y142 HydrophobicContact CG2-CE1 3.68Å; I15-Y142 HydrophobicContact CG2-CE2 4.47Å; I15-Y142 HydrophobicContact CG2-CG 4.09Å; V17-Y142 HydrophobicContact CG2-CE1 3.81Å; Y78-Y142 AromaticContact CD1-CD1 3.72Å; Y78-Y142 HydrophobicContact CD1-CD1 3.72Å; Y78-Y142 AromaticContact CD1-CE1 3.99Å; Y78-Y142 HydrophobicContact CD1-CE1 3.99Å; Y78-Y142 AromaticContact CE1-CD1 3.86Å; Y78-Y142 HydrophobicContact CE1-CD1 3.86Å; Y78-Y142 AromaticContact CE1-CE1 4Å; Y78-Y142 HydrophobicContact CE1-CE1 4Å; E138-Y142 PolarHBondContact O-N 3.05Å; E138-Y142 VanDerWaalsContact O-N 3.08Å; F140-Y142 VanDerWaalsContact C-N 3.35Å; F140-Y142 PolarHBondContact O-N 3.04Å; Y142-Q145 PolarHBondContact O-N 3.45Å; Y142-K146 HydrophobicContact CD1-CG 3.83Å; Y142-K146 HydrophobicContact CE1-CD 4.17Å; Y142-K146 VanDerWaalsContact CE1-CE 3.42Å; Y142-K146 HydrophobicContact CE1-CG 3.58Å; Y142-K146 WeakPolarHBondContact O-CG 3.41Å; Y142-K146 PolarHBondContact O-N 2.82Å; Y142-K146 VanDerWaalsContact O-N 3.09Å; Y142-K146 WeakPolarHBondContact OH-CE 3.45Å
143M98.7Very high97.8Very high0 Ų062.4 Ų62.40%029%0.29CS..Hα-helixtrans-60.5-50.5175.6176-77.1-60.600111.4Y78 L97 V99 L119 I121 L139 F140 Q145 K146 E147 L154Y78-M143 HydrophobicContact CD1-CB 4.43Å; Y78-M143 HydrophobicContact CD2-CB 4.11Å; Y78-M143 HydrophobicContact CD2-CG 3.96Å; Y78-M143 HydrophobicContact CE1-CB 4.39Å; Y78-M143 HydrophobicContact CE2-CB 4.07Å; Y78-M143 HydrophobicContact CE2-CG 3.66Å; Y78-M143 HydrophobicContact CG-CB 4.32Å; L97-M143 HydrophobicContact CD2-CB 3.72Å; L97-M143 HydrophobicContact CD2-CE 4.14Å; L97-M143 HydrophobicContact CD2-CG 3.96Å; V99-M143 HydrophobicContact CG1-CG 3.86Å; V99-M143 HydrophobicContact CG1-SD 4.11Å; V99-M143 HydrophobicContact CG2-CG 4.38Å; L119-M143 HydrophobicContact CD2-SD 4.12Å; I121-M143 HydrophobicContact CD1-CE 3.74Å; L139-M143 PolarHBondContact O-N 3.03Å; L139-M143 VanDerWaalsContact O-N 3.09Å; F140-M143 HydrophobicContact CD1-CE 3.99Å; F140-M143 HydrophobicContact CD2-CE 4.23Å; F140-M143 HydrophobicContact CE1-CE 3.95Å; F140-M143 HydrophobicContact CE2-CE 4.17Å; F140-M143 HydrophobicContact CG-CE 4.16Å; F140-M143 HydrophobicContact CZ-CE 4.04Å; F140-M143 WeakPolarHBondContact O-CB 3.34Å; F140-M143 PolarHBondContact O-N 2.82Å; M143-Q145 VanDerWaalsContact C-N 3.27Å; M143-Q145 PolarHBondContact O-N 3.25Å; M143-K146 PolarHBondContact O-N 2.91Å; M143-E147 HydrophobicContact CG-CG 4.11Å; M143-E147 WeakPolarHBondContact O-CG 3.35Å; M143-E147 PolarHBondContact O-N 2.92Å; M143-E147 HydrophobicContact SD-CB 4.44Å; M143-E147 HydrophobicContact SD-CG 3.93Å; M143-L154 HydrophobicContact CE-CD1 4.29Å
144L98.6Very high97.9Very high21 Ų2156.5 Ų56.511%0.1126%0.263CS..Hα-helixtrans-53.7-43.6177.3-66.4172000111.9F140 K146 R148 V149 P151 L154 Y171F140-L144 HydrophobicContact CD1-CD1 3.8Å; F140-L144 HydrophobicContact CD1-CD2 4.37Å; F140-L144 HydrophobicContact CD1-CG 3.93Å; F140-L144 HydrophobicContact CE1-CD1 3.94Å; F140-L144 HydrophobicContact CE1-CD2 3.96Å; F140-L144 HydrophobicContact CE1-CG 4.02Å; F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 2.93Å; L144-K146 PolarHBondContact O-N 3.29Å; L144-R148 VanDerWaalsContact O-CA 3.3Å; L144-R148 WeakPolarHBondContact O-CA 3.42Å; L144-R148 PolarHBondContact O-N 2.9Å; L144-V149 HydrophobicContact CD2-CG2 3.97Å; L144-V149 WeakPolarHBondContact CD2-O 3.34Å; L144-V149 PolarHBondContact O-N 3.05Å; L144-P151 HydrophobicContact CD1-CG 3.9Å; L144-P151 HydrophobicContact CD2-CG 4.39Å; L144-L154 HydrophobicContact CD2-CD1 4.05Å; L144-Y171 HydrophobicContact CD1-CD1 4.38Å; L144-Y171 HydrophobicContact CD1-CE1 3.74Å
145Q98.4Very high98Very high130 Ų13054.5 Ų54.561%0.60724%0.242SC*.Hα-helixtrans-67.7-31.7178.7-71.7175.50.600113.9Q141 Y142 M143Q141-Q145 VanDerWaalsContact O-CG 3.32Å; Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 3.38Å; Y142-Q145 PolarHBondContact O-N 3.45Å; M143-Q145 VanDerWaalsContact C-N 3.27Å; M143-Q145 PolarHBondContact O-N 3.25Å
146K97.9Very high98Very high116 Ų11653.3 Ų53.350%0.50424%0.236SC..Hα-helixtrans-81.2-44.7179.6-71.9-66.1-170.81800112.3Y78 Y142 M143 L144 R148Y78-K146 HydrophobicContact CE1-CB 3.99Å; Y78-K146 HydrophobicContact CE1-CG 4.04Å; Y78-K146 WeakPolarHBondContact OH-CB 3.46Å; Y142-K146 HydrophobicContact CD1-CG 3.83Å; Y142-K146 HydrophobicContact CE1-CD 4.17Å; Y142-K146 VanDerWaalsContact CE1-CE 3.42Å; Y142-K146 HydrophobicContact CE1-CG 3.58Å; Y142-K146 WeakPolarHBondContact O-CG 3.41Å; Y142-K146 PolarHBondContact O-N 2.82Å; Y142-K146 VanDerWaalsContact O-N 3.09Å; Y142-K146 WeakPolarHBondContact OH-CE 3.45Å; M143-K146 PolarHBondContact O-N 2.91Å; L144-K146 PolarHBondContact O-N 3.29Å; K146-R148 VanDerWaalsContact C-N 3.3Å
147E97.8Very high97.9Very high39 Ų3955.5 Ų55.518%0.18225%0.245CC..Hα-helixtrans-77-19.3178.5-57.1-65.216100112.2Y78 L119 M143 V149Y78-E147 PolarHBondContact OH-OE1 3.43Å; L119-E147 HydrophobicContact CD2-CB 3.76Å; L119-E147 HydrophobicContact CD2-CG 3.69Å; M143-E147 HydrophobicContact CG-CG 4.11Å; M143-E147 WeakPolarHBondContact O-CG 3.35Å; M143-E147 PolarHBondContact O-N 2.92Å; M143-E147 HydrophobicContact SD-CB 4.44Å; M143-E147 HydrophobicContact SD-CG 3.93Å; E147-V149 HydrophobicContact CB-CG1 4.43Å; E147-V149 HydrophobicContact CB-CG2 4.1Å
148R97.6Very high97.8Very high226 Ų22657.5 Ų57.585%0.85325%0.253SS*.THydrogen-bonded Turntrans61.445.6-179.4-54.7176.9177.7-179.5-1.9113.1L144 K146L144-R148 VanDerWaalsContact O-CA 3.3Å; L144-R148 WeakPolarHBondContact O-CA 3.42Å; L144-R148 PolarHBondContact O-N 2.9Å; K146-R148 VanDerWaalsContact C-N 3.3Å
149V96.9Very high97.7Very high19 Ų1955.6 Ų55.612%0.11525%0.246CC..  trans-119.9150.4179.5-620000111.1L119 L144 E147 Q153 L154L119-V149 HydrophobicContact CD2-CG1 4.48Å; L119-V149 HydrophobicContact CD2-CG2 3.98Å; L144-V149 HydrophobicContact CD2-CG2 3.97Å; L144-V149 WeakPolarHBondContact CD2-O 3.34Å; L144-V149 PolarHBondContact O-N 3.05Å; E147-V149 HydrophobicContact CB-CG1 4.43Å; E147-V149 HydrophobicContact CB-CG2 4.1Å; V149-Q153 VanDerWaalsContact CA-OE1 3.22Å; V149-Q153 VanDerWaalsContact CB-OE1 3.3Å; V149-L154 HydrophobicContact CG2-CD2 3.96Å
150E96.9Very high97.6Very high112 Ų11257.6 Ų57.652%0.52326%0.26SS..  trans-88149.2171.3-68-57.4150.100110.9H152 Q153E150-H152 PolarHBondContact O-N 2.66Å; E150-H152 VanDerWaalsContact O-N 3.08Å; E150-Q153 HydrophobicContact CB-CG 4.3Å; E150-Q153 WeakPolarHBondContact O-CB 3.36Å; E150-Q153 PolarHBondContact O-N 3.18Å
151P97.6Very high97.5Very high13 Ų1362.4 Ų62.48%0.08429%0.291CS..G310 helixtrans-55-35-173.4-26.132.5000114.8L144 Q153 L154 Y171 L173L144-P151 HydrophobicContact CD1-CG 3.9Å; L144-P151 HydrophobicContact CD2-CG 4.39Å; P151-Q153 VanDerWaalsContact C-N 3.3Å; P151-Q153 PolarHBondContact O-N 2.83Å; P151-L154 WeakPolarHBondContact O-CB 3.44Å; P151-L154 PolarHBondContact O-N 2.94Å; P151-Y171 HydrophobicContact CB-CD1 4.1Å; P151-Y171 HydrophobicContact CB-CG 3.86Å; P151-Y171 HydrophobicContact CG-CD1 3.43Å; P151-Y171 VanDerWaalsContact CG-CD1 3.43Å; P151-Y171 HydrophobicContact CG-CE1 4.18Å; P151-Y171 HydrophobicContact CG-CG 3.73Å; P151-L173 HydrophobicContact CB-CD1 3.84Å; P151-L173 HydrophobicContact CB-CG 4.39Å
152H96.4Very high97.5Very high51 Ų5164.8 Ų64.824%0.23630%0.3CS..G310 helixtrans-75.7-13.9-178.667100.4000113.9E150 L154 L173 G188 F189 H192E150-H152 PolarHBondContact O-N 2.66Å; E150-H152 VanDerWaalsContact O-N 3.08Å; H152-L154 VanDerWaalsContact C-N 3.26Å; H152-L173 HydrophobicContact CB-CD2 3.89Å; H152-G188 PolarHBondContact CE1-O 3.14Å; H152-G188 PolarHBondContact ND1-O 3.09Å; H152-F189 WeakPolarHBondContact O-CA 3.45Å; H152-F189 WeakPolarHBondContact O-CB 3.46Å; H152-H192 AromaticContact CE1-CE1 3.51Å; H152-H192 AromaticContact CE1-ND1 3.92Å
153Q96.4Very high97.4Very high50 Ų5062.5 Ų62.523%0.23429%0.292CS..G310 helixtrans-79.3-7.9174.1-62.8174.5-30.400112.8V149 E150 P151 F189 H192V149-Q153 VanDerWaalsContact CA-OE1 3.22Å; V149-Q153 VanDerWaalsContact CB-OE1 3.3Å; E150-Q153 HydrophobicContact CB-CG 4.3Å; E150-Q153 WeakPolarHBondContact O-CB 3.36Å; E150-Q153 PolarHBondContact O-N 3.18Å; P151-Q153 VanDerWaalsContact C-N 3.3Å; P151-Q153 PolarHBondContact O-N 2.83Å; Q153-F189 WeakPolarHBondContact O-CE2 3.28Å; Q153-H192 PolarHBondContact NE2-CD2 2.82Å; Q153-H192 PolarHBondContact NE2-CE1 2.94Å; Q153-H192 PolarHBondContact NE2-ND1 3.03Å; Q153-H192 PolarHBondContact NE2-NE2 3.37Å
154L97.8Very high97.4Very high1 Ų165.6 Ų65.61%0.00531%0.308CS..  trans-84140-175.5-62.5171000111.8L119 I121 F140 M143 L144 V149 P151 H152L119-L154 HydrophobicContact CB-CD2 4.24Å; L119-L154 HydrophobicContact CD2-CD2 3.93Å; L119-L154 HydrophobicContact CG-CD2 4.23Å; I121-L154 HydrophobicContact CD1-CD1 4.03Å; I121-L154 HydrophobicContact CD1-CD2 4.16Å; I121-L154 HydrophobicContact CG1-CD1 4.17Å; F140-L154 HydrophobicContact CE1-CD1 3.95Å; F140-L154 HydrophobicContact CZ-CD1 3.55Å; M143-L154 HydrophobicContact CE-CD1 4.29Å; L144-L154 HydrophobicContact CD2-CD1 4.05Å; V149-L154 HydrophobicContact CG2-CD2 3.96Å; P151-L154 WeakPolarHBondContact O-CB 3.44Å; P151-L154 PolarHBondContact O-N 2.94Å; H152-L154 VanDerWaalsContact C-N 3.26Å
155A98Very high97.4Very high0 Ų072.5 Ų72.50%034%0.337CS..EExtended strand (participates in β ladder)trans-100.1148.9159.300000109.9L104 P118 L119 C120 I121 F183 I185 F189L104-A155 HydrophobicContact CD1-CB 3.71Å; P118-A155 HydrophobicContact CB-CB 4.49Å; P118-A155 HydrophobicContact CG-CB 3.95Å; L119-A155 PolarHBondContact O-N 2.92Å; C120-A155 CarbonylContact C-O 3.57Å; C120-A155 WeakPolarHBondContact CA-O 3.44Å; I121-A155 PolarHBondContact N-O 2.98Å; A155-F183 HydrophobicContact CB-CD1 4.1Å; A155-I185 HydrophobicContact CB-CG2 3.74Å; A155-F189 HydrophobicContact CB-CE2 4.38Å
156I98.4Very high97.4Very high2 Ų267.8 Ų67.81%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-130.1119.2-174-52.4-172.7000110.3I121 R158 P159 L163 L167 F183 V184 F186I121-I156 HydrophobicContact CB-CB 4.41Å; I121-I156 HydrophobicContact CB-CG1 4.08Å; I121-I156 HydrophobicContact CB-CG2 4.08Å; I121-I156 HydrophobicContact CG1-CD1 4.31Å; I121-I156 HydrophobicContact CG1-CG1 4.01Å; I121-I156 HydrophobicContact CG2-CG2 4.4Å; I156-R158 PolarHBondContact O-N 2.61Å; I156-P159 HydrophobicContact CG2-CB 3.75Å; I156-P159 HydrophobicContact CG2-CG 4.26Å; I156-L163 HydrophobicContact CG2-CD2 3.89Å; I156-L167 HydrophobicContact CD1-CD1 3.29Å; I156-L167 HydrophobicContact CD1-CD2 4.11Å; I156-L167 HydrophobicContact CD1-CG 4.35Å; I156-F183 CarbonylContact O-C 3.57Å; I156-F183 VanDerWaalsContact O-CA 3.23Å; I156-F183 WeakPolarHBondContact O-CA 3.43Å; I156-V184 PolarHBondContact N-O 3.09Å; I156-V184 PolarHBondContact O-N 2.85Å; I156-F186 HydrophobicContact CD1-CE2 4.09Å
157D97.7Very high97.4Very high60 Ų6062.3 Ų62.332%0.32129%0.291SS..EExtended strand (participates in β ladder)trans-70.7114.9176.7-163.9-9.5000109.3I121 L122 F183I121-D157 PolarHBondContact O-N 2.85Å; L122-D157 HydrophobicContact CD2-CB 4.19Å; D157-F183 HydrophobicContact CB-CD1 4.07Å; D157-F183 HydrophobicContact CB-CE1 3.57Å; D157-F183 HydrophobicContact CB-CZ 3.81Å
158R95.9Very high97.4Very high161 Ų16162.8 Ų62.861%0.60830%0.295SS*.SBendtrans45.458.8172.2-64172166.4-165.1-2.7114.7I156 S160 N182I156-R158 PolarHBondContact O-N 2.61Å; R158-S160 PolarHBondContact O-N 3.32Å; R158-N182 HydrophobicContact CG-CB 3.92Å; R158-N182 VanDerWaalsContact CZ-OD1 3.28Å; R158-N182 PolarHBondContact N-O 3.05Å; R158-N182 PolarHBondContact NE-OD1 2.83Å; R158-N182 PolarHBondContact NH2-OD1 2.96Å
159P96.8Very high97.4Very high20 Ų2059.7 Ų59.713%0.1329%0.288CS..  trans-60.2126.8-175.825-34.9000112.6I156 L163 L164 V184I156-P159 HydrophobicContact CG2-CB 3.75Å; I156-P159 HydrophobicContact CG2-CG 4.26Å; P159-L163 HydrophobicContact CB-CB 4.48Å; P159-L163 HydrophobicContact CB-CD2 4.18Å; P159-L163 HydrophobicContact CB-CG 4.35Å; P159-L164 HydrophobicContact CB-CD2 3.8Å; P159-L164 HydrophobicContact CB-CG 4.07Å; P159-L164 HydrophobicContact CG-CD2 3.71Å; P159-L164 HydrophobicContact CG-CG 4.26Å; P159-V184 HydrophobicContact CG-CB 3.82Å; P159-V184 HydrophobicContact CG-CG2 3.51Å
160S96.7Very high97.5Very high42 Ų4261.4 Ų61.429%0.29429%0.294SS..  trans-65156.3173.372.70000112.1R158 K162 L163 L164R158-S160 PolarHBondContact O-N 3.32Å; S160-K162 PolarHBondContact O-N 3.49Å; S160-K162 VanDerWaalsContact O-N 3.1Å; S160-L163 WeakPolarHBondContact O-CA 3.49Å; S160-L163 WeakPolarHBondContact O-CB 3.19Å; S160-L163 PolarHBondContact O-N 3.44Å; S160-L163 PolarHBondContact OG-N 3.39Å; S160-L164 PolarHBondContact O-N 2.97Å
161P96.7Very high97.5Very high101 Ų10158 Ų5866%0.65628%0.277SS*.Hα-helixtrans-59.5-22.4174.7-26.635.6000114.4K165P161-K165 WeakPolarHBondContact O-CG 3.42Å
162K97.2Very high97.5Very high133 Ų13364.1 Ų64.158%0.57831%0.309SS*.Hα-helixtrans-69.4-41169.9-68.6-177.3-179.3178.20111.2S160 F166S160-K162 PolarHBondContact O-N 3.49Å; S160-K162 VanDerWaalsContact O-N 3.1Å; K162-F166 WeakPolarHBondContact O-CB 3.28Å; K162-F166 PolarHBondContact O-N 3.44Å; K162-F166 VanDerWaalsContact O-N 3.15Å
163L97.9Very high97.5Very high16 Ų1662.2 Ų62.28%0.08430%0.3CS..Hα-helixtrans-71.2-44.9-178.8-177.750.1000111.8F124 I156 P159 S160 K165 F166 L167F124-L163 HydrophobicContact CD1-CD1 3.68Å; F124-L163 HydrophobicContact CD1-CD2 4.47Å; F124-L163 HydrophobicContact CE1-CD1 3.93Å; I156-L163 HydrophobicContact CG2-CD2 3.89Å; P159-L163 HydrophobicContact CB-CB 4.48Å; P159-L163 HydrophobicContact CB-CD2 4.18Å; P159-L163 HydrophobicContact CB-CG 4.35Å; S160-L163 WeakPolarHBondContact O-CA 3.49Å; S160-L163 WeakPolarHBondContact O-CB 3.19Å; S160-L163 PolarHBondContact O-N 3.44Å; S160-L163 PolarHBondContact OG-N 3.39Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 3.01Å; L163-F166 HydrophobicContact CD1-CD1 3.86Å; L163-F166 WeakPolarHBondContact O-CB 3.28Å; L163-F166 PolarHBondContact O-N 3.41Å; L163-L167 HydrophobicContact CD1-CD1 3.98Å; L163-L167 HydrophobicContact CD1-CD2 4.32Å; L163-L167 HydrophobicContact CD1-CG 3.93Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.34Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 2.89Å
164L97.6Very high97.3Very high64 Ų6466.5 Ų66.534%0.33532%0.32SS..Hα-helixtrans-55.2-47.8175.5-66.3175.7000112P159 S160 F166 L167 N168 F186P159-L164 HydrophobicContact CB-CD2 3.8Å; P159-L164 HydrophobicContact CB-CG 4.07Å; P159-L164 HydrophobicContact CG-CD2 3.71Å; P159-L164 HydrophobicContact CG-CG 4.26Å; S160-L164 PolarHBondContact O-N 2.97Å; L164-F166 VanDerWaalsContact C-N 3.29Å; L164-F166 PolarHBondContact O-N 2.95Å; L164-L167 PolarHBondContact O-N 3.17Å; L164-N168 PolarHBondContact O-N 3.47Å; L164-N168 VanDerWaalsContact O-N 3.1Å; L164-F186 HydrophobicContact CD2-CZ 4.09Å
165K97.9Very high97.1Very high166 Ų16670.3 Ų70.372%0.72234%0.344SS*.Hα-helixtrans-66.9-27.7177.1-68.2-172.8178.6-168.40113.7P161 L163 K169P161-K165 WeakPolarHBondContact O-CG 3.42Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 3.01Å; K165-K169 VanDerWaalsContact O-CB 3.23Å; K165-K169 WeakPolarHBondContact O-CB 3.42Å; K165-K169 PolarHBondContact O-N 3.49Å
166F98.5Very high96.8Very high32 Ų3273.5 Ų73.514%0.1436%0.363CS..Hα-helixtrans-71.6-42.3173.7165.4-88.8000111.7F124 G136 R137 F140 K162 L163 L164 H170 Y171F124-F166 HydrophobicContact CE1-CD1 4.27Å; F124-F166 AromaticContact CE1-CE1 3.9Å; F124-F166 HydrophobicContact CE1-CE1 3.9Å; F124-F166 HydrophobicContact CE1-CZ 4.2Å; F124-F166 HydrophobicContact CZ-CE1 4.4Å; F124-F166 HydrophobicContact CZ-CZ 4.26Å; G136-F166 WeakPolarHBondContact O-CZ 3.38Å; R137-F166 HydrophobicContact CB-CE2 4.12Å; R137-F166 HydrophobicContact CB-CZ 4.44Å; F140-F166 HydrophobicContact CB-CE1 4.24Å; F140-F166 HydrophobicContact CB-CZ 3.99Å; F140-F166 AromaticContact CD2-CE1 3.94Å; F140-F166 HydrophobicContact CD2-CE1 3.94Å; F140-F166 HydrophobicContact CE2-CE1 4.43Å; F140-F166 HydrophobicContact CG-CE1 4.06Å; F140-F166 HydrophobicContact CG-CZ 4.31Å; K162-F166 WeakPolarHBondContact O-CB 3.28Å; K162-F166 PolarHBondContact O-N 3.44Å; K162-F166 VanDerWaalsContact O-N 3.15Å; L163-F166 HydrophobicContact CD1-CD1 3.86Å; L163-F166 WeakPolarHBondContact O-CB 3.28Å; L163-F166 PolarHBondContact O-N 3.41Å; L164-F166 VanDerWaalsContact C-N 3.29Å; L164-F166 PolarHBondContact O-N 2.95Å; F166-H170 AromaticContact CD2-CD2 3.49Å; F166-H170 VanDerWaalsContact CD2-CD2 3.49Å; F166-H170 WeakPolarHBondContact CD2-CD2 3.47Å; F166-H170 AromaticContact CE2-CD2 3.6Å; F166-H170 WeakPolarHBondContact O-CB 3.29Å; F166-H170 PolarHBondContact O-CD2 3.1Å; F166-H170 PolarHBondContact O-N 3.1Å; F166-H170 VanDerWaalsContact O-N 3.08Å; F166-Y171 AromaticContact CE1-CE2 3.97Å; F166-Y171 HydrophobicContact CE1-CE2 3.97Å; F166-Y171 HydrophobicContact CZ-CE2 4.25Å
167L98.4Very high96.3Very high0 Ų074.6 Ų74.60%037%0.37CS..Hα-helixtrans-67.7-47-178.6-66.9161.9000111.9F140 I156 L163 L164 H170 Y171 N172 L173 F186F140-L167 HydrophobicContact CE1-CD2 4.47Å; F140-L167 HydrophobicContact CE2-CD2 4.04Å; F140-L167 HydrophobicContact CZ-CD2 3.72Å; I156-L167 HydrophobicContact CD1-CD1 3.29Å; I156-L167 HydrophobicContact CD1-CD2 4.11Å; I156-L167 HydrophobicContact CD1-CG 4.35Å; L163-L167 HydrophobicContact CD1-CD1 3.98Å; L163-L167 HydrophobicContact CD1-CD2 4.32Å; L163-L167 HydrophobicContact CD1-CG 3.93Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.34Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 2.89Å; L164-L167 PolarHBondContact O-N 3.17Å; L167-H170 PolarHBondContact O-N 3.39Å; L167-Y171 HydrophobicContact CD2-CD2 4.35Å; L167-Y171 CarbonylContact O-C 3.56Å; L167-Y171 WeakPolarHBondContact O-CA 3.47Å; L167-Y171 WeakPolarHBondContact O-CB 3.23Å; L167-Y171 PolarHBondContact O-N 2.92Å; L167-N172 PolarHBondContact O-N 3.15Å; L167-L173 HydrophobicContact CB-CB 4.1Å; L167-L173 HydrophobicContact CB-CD1 4.25Å; L167-L173 HydrophobicContact CD2-CD1 4.15Å; L167-F186 HydrophobicContact CD1-CE2 4.07Å; L167-F186 HydrophobicContact CD1-CZ 4.01Å
168N98.1Very high95.8Very high50 Ų5076.8 Ų76.827%0.26739%0.388SS..Hα-helixtrans-56.1-55.1172.2-179.5-33.2000110.4L164 H170 N172 L173 E174L164-N168 PolarHBondContact O-N 3.47Å; L164-N168 VanDerWaalsContact O-N 3.1Å; N168-H170 VanDerWaalsContact C-N 3.3Å; N168-H170 PolarHBondContact O-N 3.27Å; N168-N172 VanDerWaalsContact O-CA 3.28Å; N168-N172 WeakPolarHBondContact O-CA 3.42Å; N168-N172 PolarHBondContact O-N 3.37Å; N168-L173 WeakPolarHBondContact CA-O 3.44Å; N168-L173 WeakPolarHBondContact CB-O 3.3Å; N168-L173 PolarHBondContact N-O 3.08Å; N168-E174 PolarHBondContact ND2-OE1 3.15Å
169K98.1Very high95.7Very high160 Ų16070.9 Ų70.970%0.69637%0.367SS*.Hα-helixtrans-58.4-33.9-177.1-179.9174.4-179.3178.90114.8K165K165-K169 VanDerWaalsContact O-CB 3.23Å; K165-K169 WeakPolarHBondContact O-CB 3.42Å; K165-K169 PolarHBondContact O-N 3.49Å
170H98.2Very high95.4Very high55 Ų5575.4 Ų75.426%0.25539%0.394SS..Hα-helixtrans-109.3-18.4-170.5-69.8-55.4000115.1F166 L167 N168F166-H170 AromaticContact CD2-CD2 3.49Å; F166-H170 VanDerWaalsContact CD2-CD2 3.49Å; F166-H170 WeakPolarHBondContact CD2-CD2 3.47Å; F166-H170 AromaticContact CE2-CD2 3.6Å; F166-H170 WeakPolarHBondContact O-CB 3.29Å; F166-H170 PolarHBondContact O-CD2 3.1Å; F166-H170 PolarHBondContact O-N 3.1Å; F166-H170 VanDerWaalsContact O-N 3.08Å; L167-H170 PolarHBondContact O-N 3.39Å; N168-H170 VanDerWaalsContact C-N 3.3Å; N168-H170 PolarHBondContact O-N 3.27Å
171Y97.9Very high95.1Very high42 Ų4275.4 Ų75.417%0.16539%0.391CS..Hα-helixtrans-139.59.7-174.4-52.7-68.1000113.3F140 L144 P151 F166 L167 L173F140-Y171 HydrophobicContact CD1-CD2 4.38Å; F140-Y171 HydrophobicContact CD1-CE1 4.47Å; F140-Y171 AromaticContact CD1-CE2 3.46Å; F140-Y171 HydrophobicContact CD1-CE2 3.46Å; F140-Y171 VanDerWaalsContact CD1-CE2 3.46Å; F140-Y171 AromaticContact CD1-CZ 3.53Å; F140-Y171 WeakPolarHBondContact CD1-OH 3.41Å; F140-Y171 HydrophobicContact CE1-CD2 4.13Å; F140-Y171 AromaticContact CE1-CE2 3.65Å; F140-Y171 HydrophobicContact CE1-CE2 3.65Å; F140-Y171 HydrophobicContact CG-CE2 4.16Å; F140-Y171 HydrophobicContact CZ-CE2 4.49Å; L144-Y171 HydrophobicContact CD1-CD1 4.38Å; L144-Y171 HydrophobicContact CD1-CE1 3.74Å; P151-Y171 HydrophobicContact CB-CD1 4.1Å; P151-Y171 HydrophobicContact CB-CG 3.86Å; P151-Y171 HydrophobicContact CG-CD1 3.43Å; P151-Y171 VanDerWaalsContact CG-CD1 3.43Å; P151-Y171 HydrophobicContact CG-CE1 4.18Å; P151-Y171 HydrophobicContact CG-CG 3.73Å; F166-Y171 AromaticContact CE1-CE2 3.97Å; F166-Y171 HydrophobicContact CE1-CE2 3.97Å; F166-Y171 HydrophobicContact CZ-CE2 4.25Å; L167-Y171 HydrophobicContact CD2-CD2 4.35Å; L167-Y171 CarbonylContact O-C 3.56Å; L167-Y171 WeakPolarHBondContact O-CA 3.47Å; L167-Y171 WeakPolarHBondContact O-CB 3.23Å; L167-Y171 PolarHBondContact O-N 2.92Å; Y171-L173 PolarHBondContact O-N 3.35Å; Y171-L173 VanDerWaalsContact O-N 3.1Å
172N97.4Very high94.9Very high140 Ų14074.9 Ų74.975%0.74938%0.383SS*.  trans56.923.6179-63.791.3000114.8L167 N168 E174L167-N172 PolarHBondContact O-N 3.15Å; N168-N172 VanDerWaalsContact O-CA 3.28Å; N168-N172 WeakPolarHBondContact O-CA 3.42Å; N168-N172 PolarHBondContact O-N 3.37Å; N172-E174 PolarHBondContact O-N 3.05Å; N172-E174 VanDerWaalsContact O-N 3.14Å
173L96.2Very high94.9Very high12 Ų1269.9 Ų69.96%0.06336%0.361CS..  trans-80.592.3176.8-61.4-179.5000110P151 H152 L167 N168 Y171 F186P151-L173 HydrophobicContact CB-CD1 3.84Å; P151-L173 HydrophobicContact CB-CG 4.39Å; H152-L173 HydrophobicContact CB-CD2 3.89Å; L167-L173 HydrophobicContact CB-CB 4.1Å; L167-L173 HydrophobicContact CB-CD1 4.25Å; L167-L173 HydrophobicContact CD2-CD1 4.15Å; N168-L173 WeakPolarHBondContact CA-O 3.44Å; N168-L173 WeakPolarHBondContact CB-O 3.3Å; N168-L173 PolarHBondContact N-O 3.08Å; Y171-L173 PolarHBondContact O-N 3.35Å; Y171-L173 VanDerWaalsContact O-N 3.1Å; L173-F186 HydrophobicContact CB-CB 4.44Å; L173-F186 HydrophobicContact CB-CD1 3.68Å; L173-F186 HydrophobicContact CB-CD2 4.1Å; L173-F186 HydrophobicContact CB-CE1 3.84Å; L173-F186 HydrophobicContact CB-CE2 4.25Å; L173-F186 HydrophobicContact CB-CG 3.81Å; L173-F186 HydrophobicContact CB-CZ 4.13Å; L173-F186 HydrophobicContact CD1-CD2 4.04Å; L173-F186 HydrophobicContact CD1-CE2 4.27Å; L173-F186 HydrophobicContact CD1-CG 4.44Å; L173-F186 HydrophobicContact CD2-CB 3.95Å; L173-F186 HydrophobicContact CD2-CD2 4.49Å; L173-F186 HydrophobicContact CD2-CG 4.16Å; L173-F186 HydrophobicContact CG-CD2 4.44Å; L173-F186 HydrophobicContact CG-CG 4.35Å; L173-F186 WeakPolarHBondContact O-CE1 3.43Å
174E92.8Very high94.8Very high139 Ų13970.8 Ų70.865%0.6537%0.367SS*.  trans-113.5-60.2-178.6-176.4152.4-122.200112.2N168 N172 T176N168-E174 PolarHBondContact ND2-OE1 3.15Å; N172-E174 PolarHBondContact O-N 3.05Å; N172-E174 VanDerWaalsContact O-N 3.14Å; E174-T176 PolarHBondContact O-N 3.13Å
175T92.1Very high94.8Very high81 Ų8167.7 Ų67.750%0.49735%0.351SS..PPolyproline II helixtrans-65.7116.2178.4-39.60000111.4F186 E187T175-F186 CarbonylContact O-C 3.54Å; T175-F186 VanDerWaalsContact O-CA 3.28Å; T175-F186 WeakPolarHBondContact O-CA 3.23Å; T175-F186 WeakPolarHBondContact O-CD1 3.39Å; T175-E187 WeakPolarHBondContact CB-OE2 3.42Å; T175-E187 HydrophobicContact CG2-CB 4.23Å; T175-E187 WeakPolarHBondContact CG2-OE2 3.5Å; T175-E187 PolarHBondContact O-N 3.13Å; T175-E187 PolarHBondContact OG1-OE2 2.86Å
176T92.4Very high94.7Very high67 Ų6760 Ų6041%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-97.7135173.556.10000111.3E174 P178 V184 I185 F186E174-T176 PolarHBondContact O-N 3.13Å; T176-P178 WeakPolarHBondContact O-CD 3.42Å; T176-V184 HydrophobicContact CG2-CG1 3.5Å; T176-I185 WeakPolarHBondContact CA-O 3.34Å; T176-F186 HydrophobicContact CG2-CD1 3.86Å; T176-F186 HydrophobicContact CG2-CE1 3.58Å; T176-F186 HydrophobicContact CG2-CZ 4.25Å
177V88.2Confident94.4Very high26 Ų2664.4 Ų64.416%0.15834%0.338CS..EExtended strand (participates in β ladder)trans-82.8120.9170.5-1710000108.5Q179 I185V177-Q179 WeakPolarHBondContact O-CG 3.45Å; V177-Q179 PolarHBondContact O-N 3.48Å; V177-Q179 PolarHBondContact O-NE2 3.42Å; V177-I185 HydrophobicContact CB-CD1 4.2Å; V177-I185 HydrophobicContact CB-CG1 3.94Å; V177-I185 HydrophobicContact CG2-CD1 4.49Å; V177-I185 HydrophobicContact CG2-CG1 4.32Å; V177-I185 PolarHBondContact N-O 3.35Å
178P87.8Confident94.1Very high106 Ų10665.9 Ų65.969%0.68835%0.354SS*.PPolyproline II helixtrans-57.2137-178.2-25.735.2000113T176T176-P178 WeakPolarHBondContact O-CD 3.42Å
179Q92.5Very high93.9Very high36 Ų3664.4 Ų64.417%0.16835%0.345CS..  trans-125.9145.5-179.1-59.4-58.6-54.700111.1L107 V177 N181 F183 I185L107-Q179 PolarHBondContact O-NE2 2.97Å; V177-Q179 WeakPolarHBondContact O-CG 3.45Å; V177-Q179 PolarHBondContact O-N 3.48Å; V177-Q179 PolarHBondContact O-NE2 3.42Å; Q179-N181 VanDerWaalsContact C-N 3.33Å; Q179-F183 WeakPolarHBondContact CB-O 3.42Å; Q179-F183 WeakPolarHBondContact CG-O 3.43Å; Q179-I185 HydrophobicContact CG-CG1 4.37Å
180V90.6Very high93.6Very high115 Ų11557.6 Ų57.670%0.69732%0.315SS*.SBendtrans-83-11.5169.9-67.50000113.2L107L107-V180 HydrophobicContact CD1-CG1 3.93Å; L107-V180 HydrophobicContact CD1-CG2 4.27Å
181N90.8Very high93Very high43 Ų4357.5 Ų57.523%0.2332%0.324CS..SBendtrans-93.6-177.1173.869.354.7000110.2F105 Q179 F183F105-N181 PolarHBondContact O-ND2 2.91Å; Q179-N181 VanDerWaalsContact C-N 3.33Å; N181-F183 WeakPolarHBondContact OD1-CA 3.08Å; N181-F183 VanDerWaalsContact OD1-CB 3.3Å; N181-F183 WeakPolarHBondContact OD1-CB 3.4Å; N181-F183 PolarHBondContact OD1-N 3.36Å; N181-F183 PolarHBondContact OD1-O 3.31Å
182N92.1Very high91.7Very high90 Ų9060.2 Ų60.248%0.48134%0.338SS..SBendtrans-90.23.3-176.4-69-98.6000114.1R158R158-N182 HydrophobicContact CG-CB 3.92Å; R158-N182 VanDerWaalsContact CZ-OD1 3.28Å; R158-N182 PolarHBondContact N-O 3.05Å; R158-N182 PolarHBondContact NE-OD1 2.83Å; R158-N182 PolarHBondContact NH2-OD1 2.96Å
183F96.5Very high90.2Very high28 Ų2858.5 Ų58.512%0.12333%0.325CS..EExtended strand (participates in β ladder)trans-93.8148179.5-69.3-104.6000110.7L104 C120 L122 A155 I156 D157 Q179 N181L104-F183 HydrophobicContact CD1-CB 4.23Å; L104-F183 HydrophobicContact CD1-CD1 3.88Å; L104-F183 HydrophobicContact CD1-CD2 4.24Å; L104-F183 HydrophobicContact CD1-CE1 4.34Å; L104-F183 HydrophobicContact CD1-CG 3.84Å; L104-F183 HydrophobicContact CD2-CD1 4.42Å; L104-F183 HydrophobicContact CD2-CD2 3.62Å; L104-F183 HydrophobicContact CD2-CE1 4.36Å; L104-F183 HydrophobicContact CD2-CE2 3.56Å; L104-F183 HydrophobicContact CD2-CG 4.09Å; L104-F183 HydrophobicContact CD2-CZ 3.97Å; C120-F183 HydrophobicContact CB-CE1 3.89Å; L122-F183 HydrophobicContact CD2-CE1 4.11Å; L122-F183 HydrophobicContact CD2-CZ 4.34Å; A155-F183 HydrophobicContact CB-CD1 4.1Å; I156-F183 CarbonylContact O-C 3.57Å; I156-F183 VanDerWaalsContact O-CA 3.23Å; I156-F183 WeakPolarHBondContact O-CA 3.43Å; D157-F183 HydrophobicContact CB-CD1 4.07Å; D157-F183 HydrophobicContact CB-CE1 3.57Å; D157-F183 HydrophobicContact CB-CZ 3.81Å; Q179-F183 WeakPolarHBondContact CB-O 3.42Å; Q179-F183 WeakPolarHBondContact CG-O 3.43Å; N181-F183 WeakPolarHBondContact OD1-CA 3.08Å; N181-F183 VanDerWaalsContact OD1-CB 3.3Å; N181-F183 WeakPolarHBondContact OD1-CB 3.4Å; N181-F183 PolarHBondContact OD1-N 3.36Å; N181-F183 PolarHBondContact OD1-O 3.31Å
184V96.9Very high88.1Confident34 Ų3464.6 Ų64.621%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-106.8133.3167.6175.90000108.5I156 P159 T176 F186I156-V184 PolarHBondContact N-O 3.09Å; I156-V184 PolarHBondContact O-N 2.85Å; P159-V184 HydrophobicContact CG-CB 3.82Å; P159-V184 HydrophobicContact CG-CG2 3.51Å; T176-V184 HydrophobicContact CG2-CG1 3.5Å; V184-F186 HydrophobicContact CG1-CE2 4.14Å; V184-F186 HydrophobicContact CG1-CZ 4.11Å
185I96.6Very high85.9Confident0 Ų066.4 Ų66.40%035%0.354CS..EExtended strand (participates in β ladder)trans-119.2157.7165.864.3175.5000108.7V106 A155 T176 V177 Q179 F189 F190V106-I185 HydrophobicContact CB-CD1 4.24Å; A155-I185 HydrophobicContact CB-CG2 3.74Å; T176-I185 WeakPolarHBondContact CA-O 3.34Å; V177-I185 HydrophobicContact CB-CD1 4.2Å; V177-I185 HydrophobicContact CB-CG1 3.94Å; V177-I185 HydrophobicContact CG2-CD1 4.49Å; V177-I185 HydrophobicContact CG2-CG1 4.32Å; V177-I185 PolarHBondContact N-O 3.35Å; Q179-I185 HydrophobicContact CG-CG1 4.37Å; I185-F189 HydrophobicContact CB-CB 4.31Å; I185-F189 HydrophobicContact CB-CD1 4.5Å; I185-F189 HydrophobicContact CB-CD2 3.98Å; I185-F189 HydrophobicContact CB-CE2 4.42Å; I185-F189 HydrophobicContact CB-CG 4.03Å; I185-F189 HydrophobicContact CD1-CB 4.43Å; I185-F189 HydrophobicContact CD1-CD1 3.8Å; I185-F189 HydrophobicContact CD1-CE1 4.22Å; I185-F189 HydrophobicContact CD1-CG 4.11Å; I185-F189 HydrophobicContact CG2-CD1 4.48Å; I185-F189 HydrophobicContact CG2-CD2 3.84Å; I185-F189 HydrophobicContact CG2-CE1 4.42Å; I185-F189 HydrophobicContact CG2-CE2 3.77Å; I185-F189 HydrophobicContact CG2-CG 4.22Å; I185-F189 HydrophobicContact CG2-CZ 4.08Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.71Å
186F95.8Very high83.8Confident5 Ų567.3 Ų67.32%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-111164.3-178.4-65.9-89.3000111.8I156 L164 L167 L173 T175 T176 V184 F189I156-F186 HydrophobicContact CD1-CE2 4.09Å; L164-F186 HydrophobicContact CD2-CZ 4.09Å; L167-F186 HydrophobicContact CD1-CE2 4.07Å; L167-F186 HydrophobicContact CD1-CZ 4.01Å; L173-F186 HydrophobicContact CB-CB 4.44Å; L173-F186 HydrophobicContact CB-CD1 3.68Å; L173-F186 HydrophobicContact CB-CD2 4.1Å; L173-F186 HydrophobicContact CB-CE1 3.84Å; L173-F186 HydrophobicContact CB-CE2 4.25Å; L173-F186 HydrophobicContact CB-CG 3.81Å; L173-F186 HydrophobicContact CB-CZ 4.13Å; L173-F186 HydrophobicContact CD1-CD2 4.04Å; L173-F186 HydrophobicContact CD1-CE2 4.27Å; L173-F186 HydrophobicContact CD1-CG 4.44Å; L173-F186 HydrophobicContact CD2-CB 3.95Å; L173-F186 HydrophobicContact CD2-CD2 4.49Å; L173-F186 HydrophobicContact CD2-CG 4.16Å; L173-F186 HydrophobicContact CG-CD2 4.44Å; L173-F186 HydrophobicContact CG-CG 4.35Å; L173-F186 WeakPolarHBondContact O-CE1 3.43Å; T175-F186 CarbonylContact O-C 3.54Å; T175-F186 VanDerWaalsContact O-CA 3.28Å; T175-F186 WeakPolarHBondContact O-CA 3.23Å; T175-F186 WeakPolarHBondContact O-CD1 3.39Å; T176-F186 HydrophobicContact CG2-CD1 3.86Å; T176-F186 HydrophobicContact CG2-CE1 3.58Å; T176-F186 HydrophobicContact CG2-CZ 4.25Å; V184-F186 HydrophobicContact CG1-CE2 4.14Å; V184-F186 HydrophobicContact CG1-CZ 4.11Å; F186-F189 WeakPolarHBondContact O-CB 3.47Å; F186-F189 PolarHBondContact O-N 2.89Å; F186-F189 VanDerWaalsContact O-N 3.15Å
187E93.1Very high81.7Confident124 Ų12470 Ų7058%0.57938%0.38SS*.THydrogen-bonded Turntrans-52142.5169.4-175.8176.1179.400111.2T175 F189T175-E187 WeakPolarHBondContact CB-OE2 3.42Å; T175-E187 HydrophobicContact CG2-CB 4.23Å; T175-E187 WeakPolarHBondContact CG2-OE2 3.5Å; T175-E187 PolarHBondContact O-N 3.13Å; T175-E187 PolarHBondContact OG1-OE2 2.86Å; E187-F189 VanDerWaalsContact C-N 3.33Å; E187-F189 PolarHBondContact O-N 3.3Å
188G92.1Very high79.8Confident31 Ų3173.7 Ų73.732%0.3240%0.403SS..THydrogen-bonded Turntrans82.5-5.7-172.200000115.5H152 F190 A191H152-G188 PolarHBondContact CE1-O 3.14Å; H152-G188 PolarHBondContact ND1-O 3.09Å; G188-F190 VanDerWaalsContact C-N 3.34Å; G188-F190 PolarHBondContact O-N 2.97Å; G188-A191 WeakPolarHBondContact O-CB 3.38Å; G188-A191 PolarHBondContact O-N 2.87Å; G188-A191 VanDerWaalsContact O-N 3.12Å
189F94.8Very high78Confident18 Ų1874.1 Ų74.18%0.07941%0.405CS..G310 helixtrans-53.7-47.8175.2179.4-92.5000112.5V106 V116 P118 H152 Q153 A155 I185 F186 E187 A191V106-F189 HydrophobicContact CG2-CE1 4.31Å; V116-F189 HydrophobicContact CG2-CE1 4.31Å; V116-F189 HydrophobicContact CG2-CZ 4.26Å; P118-F189 HydrophobicContact CB-CE2 3.89Å; P118-F189 HydrophobicContact CB-CZ 3.86Å; P118-F189 HydrophobicContact CG-CE2 4.28Å; P118-F189 HydrophobicContact CG-CZ 3.95Å; H152-F189 WeakPolarHBondContact O-CA 3.45Å; H152-F189 WeakPolarHBondContact O-CB 3.46Å; Q153-F189 WeakPolarHBondContact O-CE2 3.28Å; A155-F189 HydrophobicContact CB-CE2 4.38Å; I185-F189 HydrophobicContact CB-CB 4.31Å; I185-F189 HydrophobicContact CB-CD1 4.5Å; I185-F189 HydrophobicContact CB-CD2 3.98Å; I185-F189 HydrophobicContact CB-CE2 4.42Å; I185-F189 HydrophobicContact CB-CG 4.03Å; I185-F189 HydrophobicContact CD1-CB 4.43Å; I185-F189 HydrophobicContact CD1-CD1 3.8Å; I185-F189 HydrophobicContact CD1-CE1 4.22Å; I185-F189 HydrophobicContact CD1-CG 4.11Å; I185-F189 HydrophobicContact CG2-CD1 4.48Å; I185-F189 HydrophobicContact CG2-CD2 3.84Å; I185-F189 HydrophobicContact CG2-CE1 4.42Å; I185-F189 HydrophobicContact CG2-CE2 3.77Å; I185-F189 HydrophobicContact CG2-CG 4.22Å; I185-F189 HydrophobicContact CG2-CZ 4.08Å; F186-F189 WeakPolarHBondContact O-CB 3.47Å; F186-F189 PolarHBondContact O-N 2.89Å; F186-F189 VanDerWaalsContact O-N 3.15Å; E187-F189 VanDerWaalsContact C-N 3.33Å; E187-F189 PolarHBondContact O-N 3.3Å; F189-A191 VanDerWaalsContact C-N 3.31Å; F189-A191 PolarHBondContact O-N 2.89Å
190F90.4Very high76.2Confident17 Ų1776.1 Ų76.18%0.07542%0.423CS..G310 helixtrans-77.8-5.8179.6-58.1-79.2000114.7V106 L107 D108 N114 I185 G188 H192 Q193 H194V106-F190 HydrophobicContact CB-CZ 4.31Å; V106-F190 HydrophobicContact CG2-CE1 3.62Å; V106-F190 HydrophobicContact CG2-CZ 3.56Å; L107-F190 WeakPolarHBondContact O-CZ 3.48Å; D108-F190 HydrophobicContact CB-CD2 4.26Å; D108-F190 HydrophobicContact CB-CE1 4.29Å; D108-F190 HydrophobicContact CB-CE2 3.91Å; D108-F190 HydrophobicContact CB-CZ 3.92Å; N114-F190 HydrophobicContact CB-CE1 4.46Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.71Å; G188-F190 VanDerWaalsContact C-N 3.34Å; G188-F190 PolarHBondContact O-N 2.97Å; F190-H192 PolarHBondContact O-N 3.42Å; F190-Q193 WeakPolarHBondContact O-CB 3.35Å; F190-Q193 PolarHBondContact O-N 3.29Å; F190-H194 PolarHBondContact O-CD2 3.28Å; F190-H194 PolarHBondContact O-N 3.19Å
191A85.8Confident74.6Confident54 Ų5478.1 Ų78.145%0.44643%0.43SS..G310 helixtrans-57-25.8-174.300000113.8G188 F189G188-A191 WeakPolarHBondContact O-CB 3.38Å; G188-A191 PolarHBondContact O-N 2.87Å; G188-A191 VanDerWaalsContact O-N 3.12Å; F189-A191 VanDerWaalsContact C-N 3.31Å; F189-A191 PolarHBondContact O-N 2.89Å
192H70.8Confident73Confident98 Ų9886.3 Ų86.345%0.45446%0.457SS..G310 helixtrans-75.8-25.8177.2-71.683.9000113.9H152 Q153 F190H152-H192 AromaticContact CE1-CE1 3.51Å; H152-H192 AromaticContact CE1-ND1 3.92Å; Q153-H192 PolarHBondContact NE2-CD2 2.82Å; Q153-H192 PolarHBondContact NE2-CE1 2.94Å; Q153-H192 PolarHBondContact NE2-ND1 3.03Å; Q153-H192 PolarHBondContact NE2-NE2 3.37Å; F190-H192 PolarHBondContact O-N 3.42Å
193Q65.1Low71.1Confident104 Ų10485.2 Ų85.249%0.48646%0.46SS..THydrogen-bonded Turntrans-74.8-32.6173.8-58.1-175.5-0.300111.2F190 R195F190-Q193 WeakPolarHBondContact O-CB 3.35Å; F190-Q193 PolarHBondContact O-N 3.29Å; Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.41Å
194H53.8Low68.7Low140 Ų14088.3 Ų88.365%0.64849%0.486SS*.THydrogen-bonded Turntrans-82.17.7177.2-61.2-66000114.6F190 P196F190-H194 PolarHBondContact O-CD2 3.28Å; F190-H194 PolarHBondContact O-N 3.19Å; H194-P196 WeakPolarHBondContact O-CD 3.44Å; H194-P196 VanDerWaalsContact O-N 3.16Å
195R46.3Very low66.5Low178 Ų17897.3 Ų97.367%0.67252%0.516SS*.  trans-67.5111.8171.6-174.8174.6-170.5145.55.9108.6Q193Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.41Å
196P47.6Very low64.4Low100 Ų100105.3 Ų105.365%0.64955%0.553SS**PPolyproline II helixtrans-60.1140.9176.126.7-34.2000108.8H194 T198H194-P196 WeakPolarHBondContact O-CD 3.44Å; H194-P196 VanDerWaalsContact O-N 3.16Å; P196-T198 PolarHBondContact O-N 2.75Å
197P47.3Very low62.1Low124 Ų124110 Ų11081%0.80559%0.587SS**PPolyproline II helixtrans-57.3118.9179.123.8-33.2000108.4P199P197-P199 VanDerWaalsContact O-N 3.17Å
198T49.4Very low59.8Low102 Ų102115.9 Ų115.963%0.62660%0.603SS**PPolyproline II helixtrans-57.2123.5-175.243.90000108.9P196 S200P196-T198 PolarHBondContact O-N 2.75Å; T198-S200 PolarHBondContact O-N 2.98Å
199P49Very low57.5Low115 Ų115119.1 Ų119.175%0.74763%0.627SS**  trans-59.8115.9-178.223.1-32.5000108.2P197 L201P197-P199 VanDerWaalsContact O-N 3.17Å; P199-L201 PolarHBondContact O-N 2.88Å
200S55.4Low55.3Low78 Ų78122.8 Ų122.855%0.54566%0.661SS.*  trans-55.8135.4-176-176.70000109.5T198 R202 A203T198-S200 PolarHBondContact O-N 2.98Å; S200-R202 PolarHBondContact O-N 3.3Å; S200-A203 WeakPolarHBondContact O-CB 3.3Å; S200-A203 PolarHBondContact O-N 2.98Å
201L57.2Low53.4Low158 Ų158131 Ų13183%0.82770%0.7SS**THydrogen-bonded Turntrans-58.1-11.3-179.9-65.7171.9000113.6P199P199-L201 PolarHBondContact O-N 2.88Å
202R56.9Low51.4Low215 Ų215135.6 Ų135.681%0.81172%0.721SS**THydrogen-bonded Turntrans-66.9-33.1168.1-69.6-177.7172.7175.1-2.1113.7S200 S204S200-R202 PolarHBondContact O-N 3.3Å; R202-S204 VanDerWaalsContact C-N 3.34Å; R202-S204 PolarHBondContact O-N 3.28Å
203A51.4Low50Low66 Ų66138.3 Ų138.355%0.54574%0.739SS.*G310 helixtrans-69-29.8-17800000113.1S200 R205S200-A203 WeakPolarHBondContact O-CB 3.3Å; S200-A203 PolarHBondContact O-N 2.98Å; A203-R205 PolarHBondContact O-N 3.33Å; A203-R205 VanDerWaalsContact O-N 3.14Å
204S47.7Very low49.4Very low94 Ų94138.4 Ų138.466%0.65775%0.749SS**G310 helixtrans-70.1-7.9-176.9-167.40000114.2R202R202-S204 VanDerWaalsContact C-N 3.34Å; R202-S204 PolarHBondContact O-N 3.28Å
205R50.7Low48.7Very low223 Ų223138.1 Ų138.184%0.84276%0.758SS**G310 helixtrans-85-4.6-176.9-82.9-170164.6-157-5.9116.2A203A203-R205 PolarHBondContact O-N 3.33Å; A203-R205 VanDerWaalsContact O-N 3.14Å
206H50.9Low48.8Very low168 Ų168136.1 Ų136.178%0.77877%0.767SS**G310 helixtrans-100.3-6.5-179.2-69.5-70.2000115
207S48.8Very low48.2Very low104 Ų104135.9 Ų135.973%0.72777%0.774SS**SBendtrans-99.820.3-174.2-44.80000114.7
208R44.6Very low48Very low246 Ų246136 Ų13693%0.92877%0.774SS**SBendtrans-14028.1-174.8-113.5-175-177.7-166.4-0.8115.4
209A44Very low47.7Very low100 Ų100135.9 Ų135.983%0.82678%0.784SS**  trans-131.366.8172.800000109.4
210A48.5Very low47.6Very low95 Ų95142 Ų14279%0.78579%0.792SS**  trans-14429.3-172.200000113.8
211E49.4Very low47.1Very low190 Ų190148.1 Ų148.189%0.88881%0.809SS**  trans-141.3116.1159.6-76-163.8155.600109
212V45Very low46.8Very low149 Ų149148.1 Ų148.190%0.90381%0.809SS**  trans-174.8147.4142.4155.50000106.1
213D41.8Very low46.6Very low155 Ų155143.2 Ų143.283%0.82981%0.805SS**  trans-68.3160.4-169.3-142.834.4000115
214P50.6Low46.8Very low106 Ų106146 Ų14669%0.68882%0.818SS**  trans-96.3147.1-166.536.6-33.6000115.3
215T39.2Very low46.6Very low135 Ų135150.3 Ų150.383%0.82883%0.825SS**  trans-138.3140.4160.247.10000110.6
216P48.3Very low46.2Very low135 Ų135150.9 Ų150.988%0.87783%0.827SS**  trans-90.8131.8-169.933.6-34.4000114
217A36.6Very low46Very low96 Ų96147.7 Ų147.779%0.79383%0.83SS**  trans-141.9155.9169.400000110.6
218P42Very low45.9Very low125 Ų125150.9 Ų150.981%0.81283%0.833SS**PPolyproline II helixtrans-83.3152.4-147.630.2-36.7000116.6R220P218-R220 PolarHBondContact O-N 3.3Å
219A44.4Very low45.9Very low101 Ų101142.2 Ų142.284%0.83582%0.821SS**PPolyproline II helixtrans-67.2122.4-176.600000113.9
220R46.9Very low45.9Very low242 Ų242144.6 Ų144.691%0.91382%0.819SS**PPolyproline II helixtrans-85.4123.1161.3-82.4-178.7162.8169.7-4.3109.8P218 L222P218-R220 PolarHBondContact O-N 3.3Å; R220-L222 PolarHBondContact O-N 3.14Å
221K44.3Very low46Very low207 Ų207148 Ų14890%0.982%0.822SS**PPolyproline II helixtrans-69.1124.8-178.2-61.2179.6-179.4-1800110.8
222L50.2Low45.8Very low159 Ų159147.6 Ų147.683%0.83282%0.818SS**PPolyproline II helixtrans-81.7150.8163.1-74.6169.3000109.9R220R220-L222 PolarHBondContact O-N 3.14Å
223P53.5Low46.1Very low111 Ų111145.9 Ų145.972%0.72181%0.81SS**PPolyproline II helixtrans-66.9148.917628.9-34.8000111.3K225P223-K225 PolarHBondContact O-N 2.75Å
224P56.1Low45.8Very low125 Ų125149.7 Ų149.781%0.81281%0.814SS**PPolyproline II helixtrans-67.5130.8-173.326.1-34.1000112.6R226P224-R226 PolarHBondContact O-N 3.26Å
225K42.1Very low45.5Very low184 Ų184149.6 Ų149.680%0.882%0.816SS**PPolyproline II helixtrans-60.9126.3166.8-173.6-172.9175.5-166.90108.3P223P223-K225 PolarHBondContact O-N 2.75Å
226R43.1Very low46.2Very low235 Ų235149.4 Ų149.489%0.88782%0.82SS**PPolyproline II helixtrans-61.7141.6172.6-74.2-178.3173.5138-1.5109.8P224P224-R226 PolarHBondContact O-N 3.26Å
227A46.3Very low45.9Very low102 Ų102147.4 Ų147.484%0.84381%0.81SS**PPolyproline II helixtrans-65142.9174.300000110.7
228E47.8Very low46.2Very low171 Ų171151 Ų15180%0.79982%0.816SS**PPolyproline II helixtrans-80.6132.4174.9-145.8155.514600108.1
229G43.9Very low46.6Very low64 Ų64155.7 Ų155.766%0.6682%0.817SS**PPolyproline II helixtrans-91.7125.4-174.400000112.2I231G229-I231 PolarHBondContact O-N 2.78Å
230D44.1Very low46.9Very low150 Ų150158.8 Ų158.880%0.80281%0.814SS**  trans-58.6115.4178.6-71.2-45000112.4K232D230-K232 PolarHBondContact O-N 2.93Å
231I50.5Low46.4Very low165 Ų165157.3 Ų157.385%0.84682%0.815SS**  trans-83.894.9170.3-54.3-179.7000108.7G229G229-I231 PolarHBondContact O-N 2.78Å
232K44.9Very low46.7Very low183 Ų183155.9 Ų155.980%0.79682%0.816SS**  trans-81.9125.9171.3-71.6-176.6178.7177.10110.8D230D230-K232 PolarHBondContact O-N 2.93Å
233P51.6Low46.7Very low112 Ų112157.9 Ų157.973%0.72782%0.818SS**  trans-90.2107.2-177.233.3-32.6000112.4
234Y35.8Very low46.6Very low235 Ų235159.1 Ų159.192%0.92282%0.823SS**  trans-157.5119.6158.4-93.9-68.4000111.7
235S43.9Very low46Very low104 Ų104158.1 Ų158.173%0.72783%0.825SS**  177.5119.1112.6-171.10000110.2S237S235-S237 PolarHBondContact O-N 3.19Å
236S53Low46.5Very low131 Ų131155.7 Ų155.792%0.91683%0.826SS**  trans-94.765.2175.6-63.20000111.3
237S43.4Very low46.5Very low94 Ų94153 Ų15366%0.65782%0.823SS**  trans-151.398.5168.9-79.60000110.6S235S235-S237 PolarHBondContact O-N 3.19Å
238D41.8Very low46.4Very low172 Ų172152.8 Ų152.892%0.9281%0.813SS**  -159129.6120.5-102.9-24.4000110.8
239R50.3Low46.5Very low222 Ų222150.7 Ų150.784%0.83881%0.814SS**  trans-107.1163.9177.5-169.4179.2171.3166.6-3.8106.9
240E51.9Low46.3Very low167 Ų167158.9 Ų158.978%0.7883%0.825SS**  trans78.653167.2-43.2-164.8154.800118.3
241F35.8Very low46.9Very low210 Ų210157.1 Ų157.192%0.92182%0.822SS**  trans-126.223156.6-107.5-77.2000115.3
242L50Low46.5Very low177 Ų177156.8 Ų156.893%0.92782%0.821SS**  trans-107.678.6174.8-132.378.9000112.4
243K51Low46.1Very low201 Ų201155.2 Ų155.287%0.87482%0.822SS**  trans-155.7146.3161.4-113.6167.7-176174.30109.7
244V50.5Low45.6Very low137 Ų137162.3 Ų162.383%0.8383%0.834SS**  trans65.377.8-175.2-164.80000114
245A44.8Very low45.7Very low104 Ų104155.3 Ų155.386%0.8683%0.825SS**  trans-116.2131.2147.100000107.3
246V52.9Low45.6Very low133 Ų133156.8 Ų156.881%0.80683%0.832SS**PPolyproline II helixtrans-90.8134.1-176.4172.30000109.7
247E42.6Very low44.8Very low180 Ų180162.1 Ų162.184%0.84183%0.832SS**PPolyproline II helixtrans-66.7134.3174.7-75.2-172.1109.500111.7
248P43.6Very low44.3Very low97 Ų97169.4 Ų169.463%0.6385%0.845SS**PPolyproline II helixtrans-74.5142.8173.730.9-34000111.4W250P248-W250 PolarHBondContact O-N 3.22Å
249P49.2Very low44Very low126 Ų126165.8 Ų165.882%0.81884%0.839SS**  trans-81.2109.2-168.431-35.5000113.5
250W40.8Very low43.4Very low236 Ų236163.4 Ų163.489%0.89484%0.84SS**  trans-104.5125.4161.5-74.3100.4000110.6P248P248-W250 PolarHBondContact O-N 3.22Å
251P55.7Low43Very low113 Ų113161.1 Ų161.173%0.73484%0.839SS**  trans-93.2120.4-170.133.5-33000113.3
252L42.3Very low42.9Very low159 Ų159155.9 Ų155.983%0.83283%0.834SS**  trans-163.2171.5154.9-110162.6000110.5
253N37.3Very low42.4Very low150 Ų150151.5 Ų151.580%0.80282%0.824SS**  trans70.466.4173.9-52.9-31.3000117.6
254R41.1Very low41.7Very low260 Ų260150.9 Ų150.998%0.98182%0.824SS**  trans-82.3102.2150.7-84.4-174.3172178.9-1.8110.2
255A37.9Very low42.2Very low89 Ų89149.9 Ų149.974%0.73682%0.82SS**  trans-149.9141.2159.900000110.2
256P41.8Very low42.2Very low135 Ų135150.7 Ų150.788%0.87782%0.817SS**  trans-84.9141.7-167.7-9.728.5000113.8
257R34.8Very low42.1Very low242 Ų242150.1 Ų150.191%0.91382%0.816SS**  trans-75.6145.2168.4-60-179.3-173.6-102.75.2111
258R34.6Very low42.2Very low248 Ų248153.3 Ų153.394%0.93682%0.82SS**  trans-138.5141.1151.9-83-169.7177166.90.6110.9
259A35.1Very low41.8Very low96 Ų96154.3 Ų154.379%0.79383%0.829SS**  trans21.5126.5160.900000121.3
260M37.3Very low41.4Very low172 Ų172153.8 Ų153.885%0.84783%0.828SS**  trans-66.8156.5146.3-66.2-72.4-72.800109.6
261P43.4Very low41.2Very low118 Ų118147.5 Ų147.577%0.76682%0.821SS**  -149.615495.838.4-22.4000117.1
262A34.7Very low40.5Very low100 Ų100150.8 Ų150.883%0.82683%0.831SS**  trans60.4168.1146.800000120.5
263A38.2Very low39.9Very low86 Ų86146.9 Ų146.971%0.71183%0.829SS**  trans-113.1150.4-172.600000112.2
264H37.7Very low39.7Very low188 Ų188147.3 Ų147.387%0.8783%0.831SS**  trans171.4137.3138.3-89.5-63.4000109.4
265P61.1Low39.5Very low116 Ų116140.3 Ų140.375%0.75382%0.822SS**  trans-94.7142.3176.535.6-32.5000112.6
266P44.6Very low40.1Very low120 Ų120142.5 Ų142.578%0.77983%0.829SS**  trans-139.3-155.5132.342.5-27.2000111
267P49.2Very low39.9Very low121 Ų121143.2 Ų143.279%0.78683%0.825SS**  -127.1-169.1-105.538.3-17.5000115.5
268R46.3Very low40Very low248 Ų248143.5 Ų143.594%0.93683%0.826SS**  trans-46149.3178.6-54.3169.7-175.3162.30.7114.4
269S34.5Very low39.9Very low117 Ų117134.5 Ų134.582%0.81881%0.811SS**  trans-140.2157.7157.9-1710000111
270S40.6Very low40.9Very low115 Ų115135.8 Ų135.880%0.80481%0.811SS**  trans-156.4116.5-174.155.90000112.6
271S37.4Very low40.8Very low105 Ų105136 Ų13673%0.73482%0.815SS**  trans-162.3139.5171.748.20000107.1
272L40.3Very low40.6Very low182 Ų182141.7 Ų141.795%0.95382%0.821SS**  cis65102.931.6-58.5-178.1000113.8
273G31Very low41.2Very low76 Ų76142.7 Ų142.778%0.78482%0.819SS**  trans177.969.5-177.400000116.1
274N32.5Very low41.3Very low159 Ų159148.4 Ų148.485%0.8583%0.828SS**  trans-4.9147.6161.2-56.5-21.3000121.8
275S37.4Very low41.5Very low113 Ų113146.1 Ų146.179%0.7983%0.827SS**  trans-64.3172.6156-42.30000113.2
276P50.1Low40.8Very low135 Ų135146 Ų14688%0.87783%0.826SS**  -127.6175.1123.937.6-31.9000114
277D37.8Very low40.7Very low151 Ų151148.2 Ų148.281%0.80783%0.827SS**  trans-106.8152.5-163.2-165.6-12.9000113.4
278R36.7Very low40.5Very low247 Ų247150.8 Ų150.893%0.93283%0.828SS**  trans-176.6104.7152.3-108.1176-175.4-1701.5112
279G32.5Very low40.4Very low60 Ų60146.9 Ų146.962%0.61982%0.82SS**  trans-96-159.8153.600000111.7
280P56Low40.8Very low122 Ų122147.2 Ų147.279%0.79281%0.812SS**  cis-132.3174.5-18.540.9-26.7000113.4
281L35.2Very low40.9Very low176 Ų176149.3 Ų149.392%0.92181%0.814SS**  trans175.1169.3138.8-94.9166.4000112
282R38Very low41.3Very low238 Ų238155 Ų15590%0.89882%0.819SS**  trans-106.2-175.1-176.3-56.3-172177.4-164.12.2111.4
283P49Very low41.3Very low122 Ų122150.7 Ų150.779%0.79280%0.804SS**  cis-137.9-170.60.740-18.1000117.3
284F39.3Very low42Very low205 Ų205154.2 Ų154.290%0.89980%0.804SS**  trans-66.8150.9178.4-82.1-114.5000115.9
285V41.8Very low42.7Very low140 Ų140158.1 Ų158.185%0.84881%0.807SS**  trans-142.5147.7155.2178.60000108.7
286P47.2Very low42.7Very low113 Ų113161 Ų16173%0.73481%0.813SS**  trans-100.3166.4-156.8-2.624.3000118.8Q288P286-Q288 VanDerWaalsContact C-N 3.33Å; P286-Q288 PolarHBondContact O-N 3.02Å
287E42.9Very low42.2Very low168 Ų168160.5 Ų160.579%0.78581%0.811SS**SBendtrans-76.148.4-174.7-161.2-179.7-157.100115.5L290E287-L290 HydrophobicContact CG-CD1 4.24Å
288Q43.5Very low42.8Very low174 Ų174159 Ų15981%0.81381%0.81SS**  trans-97-8.7176.5-74.9-162.3-2.500115.4P286P286-Q288 VanDerWaalsContact C-N 3.33Å; P286-Q288 PolarHBondContact O-N 3.02Å
289E44.3Very low43.2Very low166 Ų166153.2 Ų153.278%0.77680%0.804SS**G310 helixtrans-88.3-19.6-173.5-157148.4-138.700114L291 R292E289-L291 PolarHBondContact O-N 3.19Å; E289-L291 VanDerWaalsContact O-N 3.13Å; E289-R292 PolarHBondContact O-N 2.9Å
290L42.8Very low43.5Very low124 Ų124158 Ų15865%0.64981%0.81SS**G310 helixtrans-66-12.9-180-98.8165.9000114.9E287 S293E287-L290 HydrophobicContact CG-CD1 4.24Å; L290-S293 PolarHBondContact O-OG 3.28Å
291L43.8Very low42.8Very low159 Ų159157.4 Ų157.483%0.83281%0.806SS**G310 helixtrans-94.70.3178.5-77.6168.4000114.4E289E289-L291 PolarHBondContact O-N 3.19Å; E289-L291 VanDerWaalsContact O-N 3.13Å
292R44.7Very low43.2Very low225 Ų225155.1 Ų155.185%0.84980%0.8SS**SBendtrans-89-0.8176.7-88.2-164.565.6116.70.1115.5E289E289-R292 PolarHBondContact O-N 2.9Å
293S40.7Very low43.3Very low91 Ų91148 Ų14864%0.63679%0.791SS**SBendtrans-98.6-2.7-173.254.70000115.7L290L290-S293 PolarHBondContact O-OG 3.28Å
294L45.8Very low43Very low151 Ų151153.4 Ų153.479%0.79180%0.796SS**SBendtrans-117.271.4-177.2-74.1174.8000113.3
295R48.1Very low43.2Very low240 Ų240151.2 Ų151.291%0.90679%0.793SS**  trans-177.961.1159.6-105.8165.5-165.8-1776114.3
296L37.3Very low43.1Very low173 Ų173152.5 Ų152.591%0.90679%0.794SS**  trans-141.785.9165.6-76.9-178.5000112.2
297C38.5Very low42.7Very low125 Ų125155.7 Ų155.785%0.84580%0.804SS**  trans-119.5113.9160.7-61.80000108
298P49.7Very low42.5Very low121 Ų121152.2 Ų152.279%0.78680%0.804SS**PPolyproline II helixtrans-67.7135.7178.8-20.833.2000111.9
299P45.9Very low42.2Very low125 Ų125150 Ų15081%0.81281%0.808SS**PPolyproline II helixtrans-71.6147.8172.929.9-34000111.6
300H39.1Very low41.9Very low159 Ų159149.9 Ų149.974%0.73681%0.813SS**PPolyproline II helixtrans-65.3150.8177.8-106.133.6000112.9T302H300-T302 VanDerWaalsContact C-N 3.26Å; H300-T302 PolarHBondContact O-N 3.27Å
301P40.4Very low42.1Very low111 Ų111149.9 Ų149.972%0.72182%0.82SS**G310 helixtrans-70.2-14.5-171.427.7-35.6000115.1A303P301-A303 PolarHBondContact O-N 3.18Å; P301-A303 VanDerWaalsContact O-N 3.11Å
302T44Very low41.6Very low128 Ų128146.1 Ų146.179%0.78582%0.819SS**G310 helixtrans-74.42-170.3-22.40000115.2H300H300-T302 VanDerWaalsContact C-N 3.26Å; H300-T302 PolarHBondContact O-N 3.27Å
303A41.3Very low40.9Very low87 Ų87139.1 Ų139.172%0.71982%0.817SS**G310 helixtrans-9810.6-17300000115.4P301 L305P301-A303 PolarHBondContact O-N 3.18Å; P301-A303 VanDerWaalsContact O-N 3.11Å; A303-L305 PolarHBondContact O-N 3.49Å
304R42.8Very low40.7Very low237 Ų237140.6 Ų140.689%0.89483%0.828SS**  trans-99.755.4-175-66.7-16766.9117.62.2114.4
305L42.9Very low40.8Very low158 Ų158139.3 Ų139.383%0.82783%0.828SS**SBendtrans-141.711.5179.8-116.1172.9000116.8A303A303-L305 PolarHBondContact O-N 3.49Å
306L39.8Very low40Very low168 Ų168132.1 Ų132.188%0.8882%0.82SS**SBendtrans-137.228.7-180-74.5177.6000114.8
307L39.3Very low39.8Very low180 Ų180133 Ų13394%0.94282%0.82SS**  trans-136.683.6173.3-73.6176.7000111.3
308A37.8Very low39.7Very low95 Ų95139 Ų13979%0.78583%0.825SS**  trans-152.692.9169.200000110.2
309S36.6Very low39.1Very low127 Ų127144.4 Ų144.489%0.88883%0.83SS**  trans-169.7133166-780000108.6
310D38Very low38.8Very low164 Ų164149.8 Ų149.888%0.87783%0.833SS**  trans-83.4162.9-172.9-88.1-61.5000114.5
311P47.2Very low38.7Very low123 Ų123149.2 Ų149.280%0.79984%0.841SS**  trans-86134.1-178.533.4-33.8000113.3
312G33.4Very low38.7Very low80 Ų80156 Ų15683%0.82585%0.853SS**  trans174.2143.3165.600000115.7
313G29.4Very low38.2Very low78 Ų78153.7 Ų153.780%0.80486%0.855SS**  trans99.4102.8159.300000117.7
314S38.3Very low38.2Very low123 Ų123154.1 Ų154.186%0.8686%0.858SS**  trans-84145.5141.7-65.40000108.3
315P46.2Very low38.6Very low123 Ų123148.2 Ų148.280%0.79985%0.85SS**  -150.3-178.4110.139.1-23000115.1
316A32.3Very low38.2Very low89 Ų89152.3 Ų152.374%0.73686%0.855SS**  trans68.7113.8166.100000117.8
317Q33.5Very low38Very low192 Ų192148 Ų14890%0.89785%0.851SS**  cis90.996.140.2-173.1-179.21.700113.7
318R36.5Very low38.1Very low250 Ų250147.9 Ų147.994%0.94385%0.85SS**  trans-135.887.6165.6-146.6173.8-158.9-106.44.1114.3
319R35.4Very low38.5Very low236 Ų236149 Ų14989%0.89185%0.847SS**  trans44.2116.4144.2-136.6175.7-165.5179.53.5119.8
320R39.5Very low38.5Very low237 Ų237148 Ų14889%0.89485%0.847SS**  trans-65.1151.6158.7-62.6171.7174.8164.2-3.3111.6
321T38.2Very low38.5Very low147 Ų147148.2 Ų148.290%0.90284%0.842SS**  trans-130.7163.1138.950.30000109
322R40.1Very low38.1Very low254 Ų254147.5 Ų147.596%0.95884%0.84SS**  trans-149.4129.5-168.2-171.1-170-163.8-167.76.5108.6
323G33.8Very low38.1Very low80 Ų80149.2 Ų149.283%0.82584%0.838SS**  trans168109.5175.900000114.1
324A41Very low38.3Very low95 Ų95153.9 Ų153.979%0.78584%0.838SS**  trans-106.5161.2150.700000106.9
325P50.8Low38.3Very low114 Ų114158.8 Ų158.874%0.7484%0.84SS**  -149164.387.238.9-22.1000116.6
326R35.4Very low38.1Very low244 Ų244158 Ų15892%0.92184%0.838SS**  trans49.894145.5-70174.2172.9-106.6-1.5119.4
327G34.8Very low38.3Very low77 Ų77164.4 Ų164.479%0.79484%0.843SS**  87.9137104.700000119.9
328L41.3Very low38.6Very low178 Ų178163.5 Ų163.593%0.93284%0.838SS**  trans-159.2155.2136.8-106.9167.6000108.7
329V46.9Very low38.4Very low119 Ų119155.4 Ų155.472%0.72183%0.833SS**  trans-102.4124.9-176.4-178.40000109.7Q331V329-Q331 HydrophobicContact CG1-CG 4.04Å; V329-Q331 PolarHBondContact O-N 3.1Å
330A35.5Very low38.3Very low106 Ų106147.8 Ų147.888%0.87683%0.827SS**  trans-85.494.8169.500000109.6
331Q38.6Very low38.1Very low168 Ų168145 Ų14579%0.78583%0.829SS**  trans-80.8154171.1-75.3-172.2-20.800111.6V329V329-Q331 HydrophobicContact CG1-CG 4.04Å; V329-Q331 PolarHBondContact O-N 3.1Å
332S39.2Very low38Very low108 Ų108143.5 Ų143.576%0.75583%0.825SS**  trans-64.4131.4171.852.70000112.1
333C33.6Very low37.7Very low116 Ų116137.4 Ų137.478%0.78482%0.816SS**  trans-125.9110.9164.5-75.20000110.1
334H34.2Very low37.9Very low175 Ų175138.6 Ų138.681%0.8181%0.812SS**  trans-75.5145.3161.1-72.7-97.7000109.5
335Y36.9Very low37.7Very low226 Ų226138.8 Ų138.889%0.88681%0.807SS**  trans-140.2127.3156.7-102.6-82.9000110.7
336S42Very low36.9Very low108 Ų108141.9 Ų141.976%0.75582%0.816SS**  trans-133.7127.7172.5-72.10000109.7
337R38Very low36.7Very low222 Ų222133.4 Ų133.484%0.83881%0.806SS**  trans173.1144.3165.4-97.7154.4-161.9-111.24.2105.9
338H37.9Very low36.5Very low173 Ų173142.1 Ų142.180%0.80181%0.814SS**  cis-114.1159.70.8-62.7-109.4000108
339G33Very low36Very low81 Ų81137.2 Ų137.284%0.83581%0.807SS**  97.9139.650.500000109.2
340G34.2Very low35.3Very low75 Ų75139.2 Ų139.277%0.77381%0.813SS**  cis152.8110.2-2.100000110.6
341L35.5Very low35.1Very low179 Ų179141.8 Ų141.894%0.93781%0.807SS**  trans-141.1148.5173.4-88.9173.6000109.9
342S34.6Very low34.9Very low115 Ų115140.2 Ų140.280%0.80480%0.8SS**  trans-142.6134-160.3-54.10000113.9
343T34.9Very low34.4Very low126 Ų126144.5 Ų144.577%0.77380%0.8SS**  trans-150.8107157.944.70000106.4
344S36.9Very low34.4Very low106 Ų106146.8 Ų146.874%0.74180%0.796SS**  65.1128.782.270.20000113.1
345S37.1Very low34.2Very low99 Ų99145.9 Ų145.969%0.69279%0.793SS**  cis-165.9151.49.847.10000114
346L34.7Very low33.8Very low178 Ų178138.2 Ų138.293%0.93278%0.782SS**  trans41.6134.8139.5-59.2165.7000120.8
347G30.4Very low33.3Very low67 Ų67141.2 Ų141.269%0.69178%0.784SS**  cis153-175.6-4.300000113.8
348R31.8Very low32.9Very low259 Ų259137.6 Ų137.698%0.97778%0.777SS**  trans64.2105.6163.2-161.1-179.6-169.9-169.42.3116
349G29.2Very low32.7Very low75 Ų75136.9 Ų136.977%0.77377%0.774SS**  115.1154.38000000108.8
350N32.3Very low32.6Very low161 Ų161137.3 Ų137.386%0.86177%0.769SS**  cis-147.1-179.814.1-167.727.5000111.3
351Q32.9Very low32.6Very low161 Ų161142.6 Ų142.675%0.75277%0.773SS**  trans-77174.6162.5-58.4-179.25.300109.6
352E32.7Very low32.4Very low134 Ų134138.9 Ų138.963%0.62676%0.755SS**  cis-166.1178.338.6-143.3-172123.100113.3
353R30.3Very low32.5Very low198 Ų198143.7 Ų143.775%0.74776%0.755SS**  trans-4.6158.8153.9-71.9178-164.9136.3-8.3119.8
354K34Very low32.3Very low164 Ų164142.6 Ų142.671%0.71375%0.753SS**  cis-170.2-177.132.7-138.1169.2178.8-130.60113.6
355Q29.3Very low32.2Very low157 Ų157142.6 Ų142.673%0.73475%0.753SS**  trans-11.2154.7155.9-66.1158.1-49.600119.3
356G28.2Very low31.9Very low64 Ų64142 Ų14266%0.6675%0.749SS**  cis164.1177.11.500000113
357E31.5Very low32.1Very low172 Ų172141.6 Ų141.680%0.80474%0.742SS**  trans69.1130.7161.1-72.7158.1149.900121.8
358Q30Very low32.1Very low146 Ų146145.8 Ų145.868%0.68275%0.749SS**  trans61.4153.4131.7-65.8176.3-59.200121.3
359E32.5Very low32.4Very low158 Ų158140 Ų14074%0.73873%0.732SS**  cis-162.8179.8-11.2-122.1164.3-150.600110.7
360A31Very low32.4Very low89 Ų89142.1 Ų142.174%0.73673%0.731SS**  trans65.7135.3164.700000118.5
361E34.9Very low32.5Very low186 Ų186140.7 Ų140.787%0.86972%0.722SS**  73.9139.358.8-84-168.2168.100114.6
362D31.9Very low32.4Very low102 Ų102139.9 Ų139.955%0.54572%0.723SS.*  cis-164.9167.9-7.9-1699.4000110.6
363R35.3Very low32.4Very low215 Ų215140.1 Ų140.181%0.81172%0.724SS**  trans62.9161.1156.9-88.5167.2-127.9-171.311120.1
364S32.3Very low32.4Very low103 Ų103137.7 Ų137.772%0.7273%0.725SS**  cis-150.7-167-14.364.60000108.3
365S34.3Very low32.2Very low107 Ų107132.8 Ų132.875%0.74872%0.722SS**  cis-153.6-1581.229.30000106.8
366S31.1Very low32.4Very low87 Ų87131.9 Ų131.961%0.60873%0.733SS**  cis-163.2135.79.445.30000111.5
367E37.8Very low32.5Very low169 Ų169132.2 Ų132.279%0.7974%0.736SS**  trans67.7148.8141-65.9165.1148.700119.2
368D31.7Very low32.6Very low154 Ų154133.7 Ų133.782%0.82474%0.743SS**  cis-133179.835-158.3-0.9000115.2
369Q36.7Very low32.9Very low137 Ų137134.7 Ų134.764%0.6475%0.748SS**  trans-97.6176-167.9-53.5176.627.200112.4
370T30.1Very low33.7Very low120 Ų120133 Ų13374%0.73675%0.75SS**  cis-149.3150.533.647.10000111.2
371L33.8Very low33.9Very low131 Ų131132.1 Ų132.169%0.68674%0.743SS**  5612671.2-80.9164.5000112.9
372L31.1Very low33.8Very low145 Ų145132.5 Ų132.576%0.75975%0.745SS**  cis-147.9-171.918.2-78.3156.1000109.9
373Q33Very low33.8Very low139 Ų139132.7 Ų132.765%0.6575%0.754SS**  -174139.8-52.7172.9172.6-17.900110.2
374D30Very low33.6Very low146 Ų146128.9 Ų128.978%0.78175%0.754SS**  trans53.9159.1167-61.4-29.1000120.2
375G30.4Very low33.8Very low62 Ų62128.4 Ų128.464%0.63976%0.756SS**  cis166.2139.1-12.900000114.7
376S32.6Very low34.5Very low137 Ų137128.7 Ų128.796%0.95876%0.756SS**  trans67.1156.4166.475.30000120.6
377G31Very low34.5Very low71 Ų71135.8 Ų135.873%0.73277%0.769SS**  trans134.664.3156.900000121.6
378E32.1Very low34.2Very low204 Ų204133 Ų13395%0.95376%0.764SS**  trans52.7153.7146-64.9-176.5100.500125.6
379E36.7Very low34.2Very low167 Ų167134.5 Ų134.578%0.7877%0.766SS**  trans-83.5178.2167.8-102-104.613800110.5
380P49Very low34.2Very low121 Ų121134.2 Ų134.279%0.78677%0.773SS**  cis-145.1-172.530.542.1-19.8000118
381A35.5Very low35.1Very low72 Ų72134.2 Ų134.260%0.59578%0.775SS**  trans-94.7151.6-169.700000118.1
382H33.8Very low35Very low193 Ų193132.5 Ų132.589%0.89478%0.78SS**  trans-145.4140.6150.9-72.6-40.9000107.3
383S32Very low35.1Very low106 Ų106129.8 Ų129.874%0.74178%0.779SS**  cis115.1152.826.5-171.30000110.7
384V31.6Very low35.1Very low136 Ų136130.3 Ų130.382%0.82479%0.791SS**  trans82.6130.5173.5-170.80000118.7
385A34.8Very low35.1Very low92 Ų92127 Ų12776%0.7679%0.792SS**  trans-138.7148.7160.800000109.7
386P50.3Low35Very low114 Ų114128 Ų12874%0.7480%0.801SS**  -137.1140.1125.917.14000111.7
387R31.2Very low35Very low236 Ų236129.2 Ų129.289%0.89180%0.797SS**  68.4119.163.7-164.7-162.5-166.1-167.75.8113.1
388V31.8Very low35.4Very low111 Ų111131.6 Ų131.667%0.67380%0.797SS**  trans164140.8130.5154.80000114
389Q30.5Very low35.4Very low184 Ų184130 Ų13086%0.8679%0.791SS**  trans72.5143.9159.6-82.9154.223.400124.1
390V36.7Very low35.3Very low131 Ų131129.1 Ų129.179%0.79479%0.792SS**  trans-128.1159.2164.5-148.70000105.5
391P48.7Very low34.5Very low121 Ų121128.2 Ų128.279%0.78680%0.795SS**  -151.217195.837.5-18.7000117
392A32.4Very low34.5Very low94 Ų94135.9 Ų135.978%0.77781%0.809SS**  trans-12.2153.6162.600000119.7
393A33.5Very low34.5Very low89 Ų89136.5 Ų136.574%0.73681%0.809SS**  179.9151.861.700000115.5
394V33Very low35Very low149 Ų149138.7 Ų138.790%0.90381%0.811SS**  trans55.2129.8142.91790000121.5
395G29Very low35.2Very low78 Ų78142.8 Ų142.880%0.80481%0.812SS**  trans91.4124.4161.100000114.8
396G29.8Very low35.1Very low81 Ų81145.8 Ų145.884%0.83582%0.815SS**  cis115.596.5-7.200000113.7
397D32.6Very low34.3Very low164 Ų164146.8 Ų146.888%0.87781%0.814SS**  trans-154.7168.8155.8-142.5-23.3000112.2
398V37.5Very low34.5Very low121 Ų121143.7 Ų143.773%0.73381%0.809SS**  trans-116138.4-169.4170.50000111.1
399M33.7Very low34.6Very low169 Ų169147.6 Ų147.683%0.83382%0.82SS**  trans-175.1165.9137.7-103.8-52.2165.600115
400N33.2Very low34.8Very low149 Ų149150.1 Ų150.180%0.79782%0.822SS**  trans63.782.9162.6-81.7-16.7000120.4
401A33.1Very low34.7Very low103 Ų103155.1 Ų155.185%0.85183%0.826SS**  trans-141.288.8143.300000110.6
402R36.2Very low33.8Very low233 Ų233156.5 Ų156.588%0.87983%0.827SS**  trans-147.476.8179.1-82.2-168.3174.2174.9-0114
403F33.6Very low34.5Very low205 Ų205158 Ų15890%0.89983%0.826SS**  trans-169.4133.6159.7-102.3-72.2000104.4
404I41Very low34.7Very low153 Ų153164.7 Ų164.779%0.78583%0.833SS**  cis-135.5155.127.6-84.1161.9000111.9
405R36.2Very low35.9Very low221 Ų221162.2 Ų162.283%0.83482%0.82SS**  trans-63.7141.6168.2-80.7173.4169.4150.7-6.7111.2
406N33.5Very low36.4Very low155 Ų155173.8 Ų173.883%0.82984%0.839SS**  cis61.87141-150.3-16.5000114.7
407L33.9Very low36.7Very low136 Ų136178.4 Ų178.471%0.71284%0.84SS**  trans-133.5148.2160.5-122.676.7000104.7
408Q33.9Very low37Very low170 Ų170179.2 Ų179.279%0.79484%0.838SS**  cis-157.87615.5-169.3171.5-0.800112.2
409E33.8Very low36.9Very low193 Ų193182.4 Ų182.490%0.90284%0.843SS**  trans-82.4121.3166.2-77.4-163.7146.900111.5
410R34.7Very low37.1Very low238 Ų238183.2 Ų183.290%0.89884%0.844SS**  trans139.5105.2150.5-80.2176.6178.6-143.80.2113.5
411R35.6Very low37.4Very low236 Ų236185.3 Ų185.389%0.89185%0.847SS**  trans175.9130.4151.6-97.3157.9-176.2-160.12.2106.2
412N30.2Very low37.7Very low149 Ų149190.8 Ų190.880%0.79785%0.847SS**  cis-141.2166.5-6.5-94.5-21000109.5
413T46.3Very low37.8Very low125 Ų125187.8 Ų187.877%0.76784%0.844SS**  trans-128.1158.7167.353.50000110.3
414R37.6Very low38.1Very low231 Ų231186.5 Ų186.587%0.87284%0.84SS**  trans73162.9170.7-61.5174172-106.2-1.1116.8
415P57.8Low37.8Very low97 Ų97189.3 Ų189.363%0.6385%0.845SS**  cis-130.4174.5-19.924.9-3.3000114.9
416W40.8Very low38Very low320 Ų320186.4 Ų186.4100%1.21285%0.846SS**  trans78.30171.5-54104.6000115.7

Retrieved 416 of 416 residues in 156.5 ms (Link to these results)

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