A0A087YLU7_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A087YLU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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
1M56.7Low85.3Confident193 Ų19378.1 Ų78.195%0.95138%0.381SS*.  0132.40-71-170-81.300109.4S3 T4M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.66Å; M1-T4 PolarHBondContact O-N 3.2Å
2T68.5Low86Confident129 Ų12977.9 Ų77.979%0.79138%0.383SS*.Hα-helixtrans-63.7-29-172.6-48.20000113.3R6T2-R6 PolarHBondContact O-N 2.93Å
3S75.3Confident86.5Confident14 Ų1477.2 Ų77.210%0.09838%0.382CS..Hα-helixtrans-61.9-49.5176.154.50000112.7M1 R5 R6 L7 Y61M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.66Å; S3-R5 VanDerWaalsContact C-N 3.33Å; S3-R5 PolarHBondContact O-N 3.1Å; S3-R6 PolarHBondContact O-N 3.27Å; S3-L7 WeakPolarHBondContact O-CG 3.4Å; S3-L7 PolarHBondContact O-N 3.09Å; S3-Y61 WeakPolarHBondContact CB-O 3.21Å
4T84.4Confident86.9Confident59 Ų5972.1 Ų72.136%0.36236%0.357SS..Hα-helixtrans-57-42.8178.2-45.40000112.1M1 R6 L7 G8 I32M1-T4 PolarHBondContact O-N 3.2Å; T4-R6 PolarHBondContact O-N 3.22Å; T4-L7 PolarHBondContact O-N 3.44Å; T4-G8 PolarHBondContact O-N 2.75Å; T4-I32 HydrophobicContact CG2-CG2 3.67Å
5R89.3Confident87.1Confident215 Ų21576 Ų7681%0.81137%0.366SS*.Hα-helixtrans-65.4-40.1180-175.3179175-171.3-0.9111.9S3 K9S3-R5 VanDerWaalsContact C-N 3.33Å; S3-R5 PolarHBondContact O-N 3.1Å; R5-K9 PolarHBondContact O-N 3.37Å
6R93.4Very high87.2Confident65 Ų6581.6 Ų81.625%0.24539%0.388CS..Hα-helixtrans-66.1-48176.6176.4174.3172.2162.5-9.4111.3T2 S3 T4 G8 K9 E10 Y61 P62 P97 T99T2-R6 PolarHBondContact O-N 2.93Å; S3-R6 PolarHBondContact O-N 3.27Å; T4-R6 PolarHBondContact O-N 3.22Å; R6-G8 VanDerWaalsContact C-N 3.33Å; R6-G8 PolarHBondContact O-N 2.86Å; R6-K9 PolarHBondContact O-N 2.91Å; R6-E10 HydrophobicContact CG-CG 4.42Å; R6-E10 WeakPolarHBondContact CG-OE1 3.48Å; R6-E10 IonicContact CZ-OE1 3.45Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 2.97Å; R6-E10 IonicContact NH2-OE1 3.33Å; R6-E10 PolarHBondContact NH2-OE1 3.46Å; R6-E10 PolarHBondContact O-N 3.27Å; R6-Y61 HydrophobicContact CG-CE1 4.33Å; R6-Y61 PolarHBondContact NH2-OH 3.39Å; R6-P62 VanDerWaalsContact NH1-CB 3.28Å; R6-P62 VanDerWaalsContact NH1-CG 3.29Å; R6-P97 PolarHBondContact NH1-O 2.73Å; R6-P97 PolarHBondContact NH2-O 3.37Å; R6-T99 PolarHBondContact NH2-O 2.94Å
7L94.6Very high87.1Confident0 Ų081.2 Ų81.20%040%0.396CS..Hα-helixtrans-61.1-40.9179.3-72.1172000112.1S3 T4 K9 E10 L11 I32 L33 W35 F57 Y61S3-L7 WeakPolarHBondContact O-CG 3.4Å; S3-L7 PolarHBondContact O-N 3.09Å; T4-L7 PolarHBondContact O-N 3.44Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.73Å; L7-E10 PolarHBondContact O-N 2.87Å; L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 2.99Å; L7-L11 PolarHBondContact O-N 3.47Å; L7-I32 HydrophobicContact CB-CD1 4.06Å; L7-I32 HydrophobicContact CB-CG1 4.15Å; L7-I32 HydrophobicContact CB-CG2 4.42Å; L7-I32 HydrophobicContact CD1-CG2 4.21Å; L7-L33 HydrophobicContact CD1-CD2 3.5Å; L7-W35 HydrophobicContact CB-CZ2 4.09Å; L7-W35 HydrophobicContact CD2-CZ2 3.96Å; L7-W35 WeakPolarHBondContact O-CZ2 3.32Å; L7-F57 HydrophobicContact CD1-CB 4.12Å; L7-F57 HydrophobicContact CD1-CD1 4.48Å; L7-F57 HydrophobicContact CD1-CD2 4.31Å; L7-F57 HydrophobicContact CD1-CG 4.05Å; L7-F57 HydrophobicContact CD2-CD1 3.53Å; L7-F57 HydrophobicContact CD2-CD2 4.04Å; L7-F57 HydrophobicContact CD2-CE1 3.48Å; L7-F57 VanDerWaalsContact CD2-CE1 3.48Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.8Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L7-Y61 HydrophobicContact CD1-CD1 4.28Å; L7-Y61 HydrophobicContact CD2-CD1 3.85Å; L7-Y61 HydrophobicContact CD2-CE1 3.58Å; L7-Y61 HydrophobicContact CG-CD1 3.97Å; L7-Y61 HydrophobicContact CG-CE1 4.02Å
8G93.6Very high86.5Confident20 Ų2078.9 Ų78.921%0.20640%0.397CS..Hα-helixtrans-57.9-46.3173.800000112.3T4 R6 L11 D12T4-G8 PolarHBondContact O-N 2.75Å; R6-G8 VanDerWaalsContact C-N 3.33Å; R6-G8 PolarHBondContact O-N 2.86Å; G8-L11 PolarHBondContact O-N 2.61Å; G8-D12 PolarHBondContact O-N 2.92Å
9K94.2Very high86.1Confident139 Ų13976 Ų7660%0.60438%0.382SS*.Hα-helixtrans-64.1-43.7176.4-173.9172.8-178.8173.10112.6R5 R6 L7 L11 D12 D13R5-K9 PolarHBondContact O-N 3.37Å; R6-K9 PolarHBondContact O-N 2.91Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.73Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 3.41Å; K9-D12 PolarHBondContact O-N 3.28Å; K9-D13 WeakPolarHBondContact O-CB 3.35Å; K9-D13 VanDerWaalsContact O-CG 3.22Å; K9-D13 PolarHBondContact O-N 3.08Å
10E94.6Very high85.9Confident14 Ų1480.4 Ų80.47%0.06540%0.398CS..Hα-helixtrans-64.7-37.9178.2-72.7-169.6-148.800112.3R6 L7 D13 I14 W35 Y61 T101R6-E10 HydrophobicContact CG-CG 4.42Å; R6-E10 WeakPolarHBondContact CG-OE1 3.48Å; R6-E10 IonicContact CZ-OE1 3.45Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 2.97Å; R6-E10 IonicContact NH2-OE1 3.33Å; R6-E10 PolarHBondContact NH2-OE1 3.46Å; R6-E10 PolarHBondContact O-N 3.27Å; L7-E10 PolarHBondContact O-N 2.87Å; E10-D13 PolarHBondContact O-N 3.4Å; E10-I14 WeakPolarHBondContact O-CB 3.14Å; E10-I14 WeakPolarHBondContact O-CD1 3.5Å; E10-I14 VanDerWaalsContact O-CG1 3.24Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.44Å; E10-W35 HydrophobicContact CB-CH2 4.21Å; E10-Y61 PolarHBondContact OE1-OH 2.95Å; E10-Y61 VanDerWaalsContact OE1-OH 3.12Å; E10-Y61 PolarHBondContact OE2-OH 3.49Å; E10-T101 VanDerWaalsContact OE2-CB 3.23Å; E10-T101 WeakPolarHBondContact OE2-CB 3.43Å; E10-T101 PolarHBondContact OE2-N 3.31Å; E10-T101 PolarHBondContact OE2-OG1 2.87Å
11L93.6Very high86Confident11 Ų1179.3 Ų79.36%0.05839%0.392CS..Hα-helixtrans-63.3-45.7175.4-177.362000111.2L7 G8 K9 I14 R15 I25 V27 W35L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 2.99Å; L7-L11 PolarHBondContact O-N 3.47Å; G8-L11 PolarHBondContact O-N 2.61Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 3.41Å; L11-I14 PolarHBondContact O-N 2.84Å; L11-R15 WeakPolarHBondContact O-CB 3.19Å; L11-R15 WeakPolarHBondContact O-CG 3.27Å; L11-R15 PolarHBondContact O-N 2.94Å; L11-I25 HydrophobicContact CD1-CG2 3.77Å; L11-V27 HydrophobicContact CD1-CG2 3.72Å; L11-V27 HydrophobicContact CD2-CB 4.07Å; L11-V27 HydrophobicContact CD2-CG1 4.36Å; L11-V27 HydrophobicContact CD2-CG2 3.67Å; L11-V27 HydrophobicContact CG-CG2 4.36Å; L11-W35 HydrophobicContact CB-CH2 3.71Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.31Å; L11-W35 HydrophobicContact CD1-CE3 4.18Å; L11-W35 HydrophobicContact CD1-CH2 4.16Å; L11-W35 HydrophobicContact CD1-CZ2 4.28Å; L11-W35 HydrophobicContact CD1-CZ3 4.1Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å
12D93.2Very high87.7Confident76 Ų7670.3 Ų70.341%0.40635%0.348SS..Hα-helixtrans-62.7-44.8176.7-74.2-15.3000111.7G8 K9 I14 R15 K16G8-D12 PolarHBondContact O-N 2.92Å; K9-D12 PolarHBondContact O-N 3.28Å; D12-I14 VanDerWaalsContact C-N 3.33Å; D12-I14 PolarHBondContact O-N 3.33Å; D12-R15 PolarHBondContact O-N 3.46Å; D12-K16 WeakPolarHBondContact O-CB 3.09Å; D12-K16 VanDerWaalsContact O-CG 3.26Å; D12-K16 WeakPolarHBondContact O-CG 3.27Å; D12-K16 PolarHBondContact O-N 2.89Å
13D92.5Very high88.8Confident69 Ų6968.2 Ų68.237%0.36933%0.325SS..Hα-helixtrans-61.3-42.8177.5-72.9-13.1000110.6K9 E10 K16 S17K9-D13 WeakPolarHBondContact O-CB 3.35Å; K9-D13 VanDerWaalsContact O-CG 3.22Å; K9-D13 PolarHBondContact O-N 3.08Å; E10-D13 PolarHBondContact O-N 3.4Å; D13-K16 PolarHBondContact O-N 2.74Å; D13-S17 WeakPolarHBondContact O-CB 3.31Å; D13-S17 PolarHBondContact O-N 3.33Å
14I92.1Very high89.6Confident5 Ų572.1 Ų72.13%0.02635%0.345CS..Hα-helixtrans-62.3-48.6176-76.5164.5000111.2E10 L11 D12 K16 S17 M19 F22 I25 W35 T101 C102 I105E10-I14 WeakPolarHBondContact O-CB 3.14Å; E10-I14 WeakPolarHBondContact O-CD1 3.5Å; E10-I14 VanDerWaalsContact O-CG1 3.24Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.44Å; L11-I14 PolarHBondContact O-N 2.84Å; D12-I14 VanDerWaalsContact C-N 3.33Å; D12-I14 PolarHBondContact O-N 3.33Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-K16 PolarHBondContact O-N 2.68Å; I14-S17 PolarHBondContact O-N 2.93Å; I14-S17 PolarHBondContact O-OG 3.43Å; I14-M19 HydrophobicContact CB-CE 4.32Å; I14-M19 HydrophobicContact CG1-CE 3.86Å; I14-M19 HydrophobicContact CG2-CE 3.87Å; I14-F22 HydrophobicContact CG2-CD1 4.38Å; I14-I25 HydrophobicContact CG2-CD1 3.37Å; I14-W35 HydrophobicContact CD1-CH2 4.35Å; I14-W35 HydrophobicContact CD1-CZ3 3.73Å; I14-T101 HydrophobicContact CD1-CG2 4.27Å; I14-C102 HydrophobicContact CD1-CB 4.27Å; I14-C102 HydrophobicContact CG1-CB 3.93Å; I14-I105 HydrophobicContact CD1-CD1 4.14Å
15R90.6Very high90.1Very high131 Ų13170.7 Ų70.749%0.49434%0.335SS..Hα-helixtrans-60.3-43.3178.3-75.6173.3171169.2-3.8111.4L11 D12 G18L11-R15 WeakPolarHBondContact O-CB 3.19Å; L11-R15 WeakPolarHBondContact O-CG 3.27Å; L11-R15 PolarHBondContact O-N 2.94Å; D12-R15 PolarHBondContact O-N 3.46Å; R15-G18 PolarHBondContact O-N 2.81Å
16K89.3Confident90.3Very high166 Ų16663.9 Ų63.972%0.72232%0.32SS*.Hα-helixtrans-68.9-34178-73172.3-176.3171.30113.2D12 D13 I14 G18D12-K16 WeakPolarHBondContact O-CB 3.09Å; D12-K16 VanDerWaalsContact O-CG 3.26Å; D12-K16 WeakPolarHBondContact O-CG 3.27Å; D12-K16 PolarHBondContact O-N 2.89Å; D13-K16 PolarHBondContact O-N 2.74Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-K16 PolarHBondContact O-N 2.68Å; K16-G18 PolarHBondContact O-N 3.01Å; K16-G18 VanDerWaalsContact O-N 3.15Å
17S85.4Confident90.3Very high74 Ų7461.7 Ų61.752%0.51731%0.314SS..Hα-helixtrans-62.3-19.317876.80000113.5D13 I14 M19D13-S17 WeakPolarHBondContact O-CB 3.31Å; D13-S17 PolarHBondContact O-N 3.33Å; I14-S17 PolarHBondContact O-N 2.93Å; I14-S17 PolarHBondContact O-OG 3.43Å; S17-M19 VanDerWaalsContact C-N 3.31Å; S17-M19 PolarHBondContact O-N 3.19Å; S17-M19 PolarHBondContact OG-N 2.86Å
18G76.3Confident89.7Confident40 Ų4066 Ų6641%0.41234%0.337SS..THydrogen-bonded Turntrans61.438.9-177.200000112.5R15 K16 K20R15-G18 PolarHBondContact O-N 2.81Å; K16-G18 PolarHBondContact O-N 3.01Å; K16-G18 VanDerWaalsContact O-N 3.15Å; G18-K20 PolarHBondContact O-N 2.72Å
19M79.2Confident88.9Confident24 Ų2473.3 Ų73.312%0.11837%0.371CS..  trans-55.6105.5-175.3-146.2-173.1-48.500110.7I14 S17 H21 F22 C102 I105I14-M19 HydrophobicContact CB-CE 4.32Å; I14-M19 HydrophobicContact CG1-CE 3.86Å; I14-M19 HydrophobicContact CG2-CE 3.87Å; S17-M19 VanDerWaalsContact C-N 3.31Å; S17-M19 PolarHBondContact O-N 3.19Å; S17-M19 PolarHBondContact OG-N 2.86Å; M19-H21 VanDerWaalsContact C-N 3.26Å; M19-H21 PolarHBondContact O-N 3.09Å; M19-F22 PolarHBondContact O-N 2.98Å; M19-F22 VanDerWaalsContact O-O 3.07Å; M19-F22 HydrophobicContact SD-CB 4.15Å; M19-C102 HydrophobicContact CE-CB 3.96Å; M19-I105 HydrophobicContact SD-CB 4.49Å; M19-I105 HydrophobicContact SD-CG2 3.81Å
20K82Confident88.4Confident163 Ų16371.1 Ų71.171%0.70938%0.38SS*.THydrogen-bonded Turntrans-61.6-35.3-171.3-66.4-173.7177.8-174.70112.9G18 R23G18-K20 PolarHBondContact O-N 2.72Å; K20-R23 WeakPolarHBondContact O-CD 3.23Å; K20-R23 WeakPolarHBondContact O-CG 3.47Å
21H87.6Confident88.1Confident58 Ų5873.6 Ų73.627%0.26939%0.393SS..THydrogen-bonded Turntrans-88.6-1.1-175.7-44.6-54.6000113.8M19 I39 V40 D42 I109M19-H21 VanDerWaalsContact C-N 3.26Å; M19-H21 PolarHBondContact O-N 3.09Å; H21-I39 CarbonylContact O-C 3.11Å; H21-I39 VanDerWaalsContact O-CA 3.32Å; H21-I39 WeakPolarHBondContact O-CA 3.43Å; H21-V40 PolarHBondContact O-N 3.16Å; H21-D42 IonicContact CE1-OD1 3.39Å; H21-D42 IonicContact CE1-OD2 3.76Å; H21-D42 PolarHBondContact CE1-OD2 3.26Å; H21-D42 IonicContact ND1-OD1 3.92Å; H21-D42 PolarHBondContact ND1-OD1 2.85Å; H21-D42 IonicContact ND1-OD2 2.68Å; H21-D42 PolarHBondContact ND1-OD2 3.46Å; H21-D42 IonicContact NE2-OD2 2.81Å; H21-I109 HydrophobicContact CB-CD1 3.57Å; H21-I109 HydrophobicContact CB-CG1 4.19Å; H21-I109 HydrophobicContact CB-CG2 4.21Å
22F92.2Very high88Confident4 Ų474.8 Ų74.82%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-133.1100.6175.2-171.4-122.3000110.6I14 M19 I25 L38 I39 I53 I55 I105I14-F22 HydrophobicContact CG2-CD1 4.38Å; M19-F22 PolarHBondContact O-N 2.98Å; M19-F22 VanDerWaalsContact O-O 3.07Å; M19-F22 HydrophobicContact SD-CB 4.15Å; F22-I25 HydrophobicContact CD1-CD1 3.42Å; F22-I25 VanDerWaalsContact CD1-CD1 3.42Å; F22-I25 HydrophobicContact CD1-CG1 3.67Å; F22-I25 HydrophobicContact CE1-CB 4.41Å; F22-I25 HydrophobicContact CE1-CD1 3.52Å; F22-I25 HydrophobicContact CE1-CG1 3.51Å; F22-I25 HydrophobicContact CE1-CG2 4.13Å; F22-I25 HydrophobicContact CG-CD1 4.47Å; F22-I25 HydrophobicContact CG-CG1 4.47Å; F22-I25 HydrophobicContact CZ-CG1 4.18Å; F22-L38 CarbonylContact C-O 3.59Å; F22-L38 VanDerWaalsContact CA-O 3.32Å; F22-L38 WeakPolarHBondContact CA-O 3.3Å; F22-I39 HydrophobicContact CD2-CG1 4.29Å; F22-I53 HydrophobicContact CD2-CD1 4.47Å; F22-I53 HydrophobicContact CE2-CD1 3.76Å; F22-I53 HydrophobicContact CE2-CG1 3.8Å; F22-I53 HydrophobicContact CZ-CD1 4.4Å; F22-I55 HydrophobicContact CZ-CD1 4.42Å; F22-I105 HydrophobicContact CB-CG2 3.88Å; F22-I105 HydrophobicContact CD1-CD1 3.71Å; F22-I105 HydrophobicContact CD1-CG2 4.38Å; F22-I105 HydrophobicContact CD2-CG2 4.39Å; F22-I105 HydrophobicContact CE1-CD1 3.68Å; F22-I105 HydrophobicContact CG-CD1 4.33Å; F22-I105 HydrophobicContact CG-CG2 3.98Å; F22-I105 HydrophobicContact CZ-CD1 4.29Å
23R92.2Very high88.1Confident86 Ų8673.2 Ų73.233%0.32539%0.39SS..EExtended strand (participates in β ladder)trans-118.4171.4-169.2-56.5-67.2-100.1161.4-3.2111.2K20 I25 L38 V40 P152 D154K20-R23 WeakPolarHBondContact O-CD 3.23Å; K20-R23 WeakPolarHBondContact O-CG 3.47Å; R23-I25 VanDerWaalsContact C-N 3.26Å; R23-I25 PolarHBondContact O-N 3.49Å; R23-L38 PolarHBondContact N-O 2.84Å; R23-L38 PolarHBondContact O-N 3.29Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.96Å; R23-P152 HydrophobicContact CB-CG 4Å; R23-D154 IonicContact CZ-OD1 3.26Å; R23-D154 IonicContact NE-OD1 3.91Å; R23-D154 IonicContact NH2-OD1 3.4Å; R23-D154 PolarHBondContact NH2-OD1 3.35Å
24N92.4Very high88.2Confident95 Ų9571.4 Ų71.451%0.50838%0.383SS..EExtended strand (participates in β ladder)trans51.245.1175.6-60.417.7000112.9S26 L38N24-S26 PolarHBondContact O-N 2.78Å; N24-L38 HydrophobicContact CB-CD1 3.99Å; N24-L38 HydrophobicContact CB-CG 4.26Å
25I93.2Very high88.4Confident30 Ų3071.1 Ų71.115%0.15438%0.382CS..EExtended strand (participates in β ladder)trans-71.6111.4-176.7-50.2175.2000109.2L11 I14 F22 R23 V27 Q36L11-I25 HydrophobicContact CD1-CG2 3.77Å; I14-I25 HydrophobicContact CG2-CD1 3.37Å; F22-I25 HydrophobicContact CD1-CD1 3.42Å; F22-I25 VanDerWaalsContact CD1-CD1 3.42Å; F22-I25 HydrophobicContact CD1-CG1 3.67Å; F22-I25 HydrophobicContact CE1-CB 4.41Å; F22-I25 HydrophobicContact CE1-CD1 3.52Å; F22-I25 HydrophobicContact CE1-CG1 3.51Å; F22-I25 HydrophobicContact CE1-CG2 4.13Å; F22-I25 HydrophobicContact CG-CD1 4.47Å; F22-I25 HydrophobicContact CG-CG1 4.47Å; F22-I25 HydrophobicContact CZ-CG1 4.18Å; R23-I25 VanDerWaalsContact C-N 3.26Å; R23-I25 PolarHBondContact O-N 3.49Å; I25-V27 HydrophobicContact CG2-CG2 4.3Å; I25-Q36 CarbonylContact C-O 3.56Å; I25-Q36 WeakPolarHBondContact CA-O 3.48Å
26S93.2Very high88.7Confident71 Ų7168 Ų6850%0.49737%0.372SS..EExtended strand (participates in β ladder)trans-109.5130.6175.8-171.40000109.3N24 Q36N24-S26 PolarHBondContact O-N 2.78Å; S26-Q36 PolarHBondContact N-O 3.39Å; S26-Q36 PolarHBondContact O-N 2.86Å
27V93.6Very high88.9Confident20 Ų2060 Ų6012%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-130.9133.5175.5-179.50000106.6L11 I25 D29 I32 W35L11-V27 HydrophobicContact CD1-CG2 3.72Å; L11-V27 HydrophobicContact CD2-CB 4.07Å; L11-V27 HydrophobicContact CD2-CG1 4.36Å; L11-V27 HydrophobicContact CD2-CG2 3.67Å; L11-V27 HydrophobicContact CG-CG2 4.36Å; I25-V27 HydrophobicContact CG2-CG2 4.3Å; V27-D29 PolarHBondContact O-N 2.92Å; V27-I32 HydrophobicContact CG1-CB 4.44Å; V27-I32 HydrophobicContact CG1-CG1 4.02Å; V27-W35 HydrophobicContact CG1-CG 4.49Å; V27-W35 HydrophobicContact CG2-CB 4.07Å; V27-W35 VanDerWaalsContact CG2-CD1 3.47Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å
28D83.4Confident89.5Confident90 Ų9056.7 Ų56.748%0.48131%0.314SS..EExtended strand (participates in β ladder)trans-68.8125.8176.9-178.1-3.5000109.5A30 N31 I32D28-A30 PolarHBondContact O-N 3.39Å; D28-A30 WeakPolarHBondContact OD1-CB 3.43Å; D28-A30 PolarHBondContact OD1-N 3.03Å; D28-N31 HydrophobicContact CB-CB 4.25Å; D28-N31 CarbonylContact O-C 3.55Å; D28-N31 PolarHBondContact O-N 2.95Å; D28-I32 PolarHBondContact O-N 3.41Å
29D75.8Confident90.4Very high173 Ų17354.8 Ų54.893%0.92529%0.294SS*.THydrogen-bonded Turntrans-60.8-30.1178.4-68.4-31.8000111.8V27V27-D29 PolarHBondContact O-N 2.92Å
30A84.3Confident91.1Very high94 Ų9454.2 Ų54.278%0.77729%0.292SS*.THydrogen-bonded Turntrans-81.6-20.1175.400000112.8D28D28-A30 PolarHBondContact O-N 3.39Å; D28-A30 WeakPolarHBondContact OD1-CB 3.43Å; D28-A30 PolarHBondContact OD1-N 3.03Å
31N87.9Confident91.6Very high66 Ų6646.4 Ų46.435%0.35326%0.258SS..EExtended strand (participates in β ladder)trans-145.384.9-174.6-173.813000113.1D28 L33 C34D28-N31 HydrophobicContact CB-CB 4.25Å; D28-N31 CarbonylContact O-C 3.55Å; D28-N31 PolarHBondContact O-N 2.95Å; N31-L33 PolarHBondContact O-N 3.37Å; N31-L33 WeakPolarHBondContact OD1-CB 3.27Å; N31-L33 PolarHBondContact OD1-N 3.27Å; N31-L33 VanDerWaalsContact OD1-N 3.08Å; N31-C34 PolarHBondContact O-N 2.87Å
32I91.9Very high91.7Very high36 Ų3648 Ų4819%0.18527%0.269CS..EExtended strand (participates in β ladder)trans-62.5-8.5174.5-154.6170.1000114T4 L7 V27 D28 C34 W35T4-I32 HydrophobicContact CG2-CG2 3.67Å; L7-I32 HydrophobicContact CB-CD1 4.06Å; L7-I32 HydrophobicContact CB-CG1 4.15Å; L7-I32 HydrophobicContact CB-CG2 4.42Å; L7-I32 HydrophobicContact CD1-CG2 4.21Å; V27-I32 HydrophobicContact CG1-CB 4.44Å; V27-I32 HydrophobicContact CG1-CG1 4.02Å; D28-I32 PolarHBondContact O-N 3.41Å; I32-C34 VanDerWaalsContact C-N 3.29Å; I32-W35 VanDerWaalsContact O-CD1 3.24Å; I32-W35 PolarHBondContact O-NE1 3.3Å
33L94.9Very high91.7Very high42 Ų4250.1 Ų50.122%0.2228%0.284CS..EExtended strand (participates in β ladder)trans-82.8-4.2179.2-54.1177.1000113L7 N31 F57L7-L33 HydrophobicContact CD1-CD2 3.5Å; N31-L33 PolarHBondContact O-N 3.37Å; N31-L33 WeakPolarHBondContact OD1-CB 3.27Å; N31-L33 PolarHBondContact OD1-N 3.27Å; N31-L33 VanDerWaalsContact OD1-N 3.08Å; L33-F57 HydrophobicContact CB-CB 4.23Å; L33-F57 HydrophobicContact CD2-CB 4.09Å; L33-F57 WeakPolarHBondContact O-CD2 3.41Å; L33-F57 PolarHBondContact O-N 3.27Å
34C95.2Very high91.7Very high31 Ų3149.7 Ų49.721%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-123.6114.2176.3-170.80000110.1N31 I32N31-C34 PolarHBondContact O-N 2.87Å; I32-C34 VanDerWaalsContact C-N 3.29Å
35W95.9Very high91.9Very high0 Ų045.5 Ų45.50%027%0.27CS..EExtended strand (participates in β ladder)trans-113142.5177.2-60.98.4000109.4L7 E10 L11 I14 V27 I32 E54 I55 F57 T101L7-W35 HydrophobicContact CB-CZ2 4.09Å; L7-W35 HydrophobicContact CD2-CZ2 3.96Å; L7-W35 WeakPolarHBondContact O-CZ2 3.32Å; E10-W35 HydrophobicContact CB-CH2 4.21Å; L11-W35 HydrophobicContact CB-CH2 3.71Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.31Å; L11-W35 HydrophobicContact CD1-CE3 4.18Å; L11-W35 HydrophobicContact CD1-CH2 4.16Å; L11-W35 HydrophobicContact CD1-CZ2 4.28Å; L11-W35 HydrophobicContact CD1-CZ3 4.1Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å; I14-W35 HydrophobicContact CD1-CH2 4.35Å; I14-W35 HydrophobicContact CD1-CZ3 3.73Å; V27-W35 HydrophobicContact CG1-CG 4.49Å; V27-W35 HydrophobicContact CG2-CB 4.07Å; V27-W35 VanDerWaalsContact CG2-CD1 3.47Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å; I32-W35 VanDerWaalsContact O-CD1 3.24Å; I32-W35 PolarHBondContact O-NE1 3.3Å; W35-E54 CarbonylContact O-C 3.55Å; W35-E54 VanDerWaalsContact O-CA 3.31Å; W35-E54 WeakPolarHBondContact O-CA 3.26Å; W35-I55 HydrophobicContact CB-CB 4.31Å; W35-I55 PolarHBondContact N-O 2.98Å; W35-I55 PolarHBondContact O-N 3.21Å; W35-F57 HydrophobicContact CB-CE2 4.38Å; W35-F57 AromaticContact CD1-CE2 3.79Å; W35-F57 AromaticContact CD2-CE2 3.57Å; W35-F57 HydrophobicContact CD2-CE2 3.57Å; W35-F57 HydrophobicContact CD2-CZ 4.03Å; W35-F57 AromaticContact CE2-CE2 3.63Å; W35-F57 HydrophobicContact CE3-CE2 4.12Å; W35-F57 HydrophobicContact CE3-CZ 4.13Å; W35-F57 AromaticContact CG-CE2 3.69Å; W35-F57 HydrophobicContact CG-CE2 3.69Å; W35-F57 HydrophobicContact CH2-CZ 4.38Å; W35-F57 HydrophobicContact CZ2-CE2 4.21Å; W35-F57 HydrophobicContact CZ2-CZ 4.28Å; W35-F57 HydrophobicContact CZ3-CZ 4.31Å; W35-F57 AromaticContact NE1-CE2 3.73Å; W35-T101 HydrophobicContact CE3-CG2 4.18Å; W35-T101 HydrophobicContact CH2-CG2 4.46Å; W35-T101 HydrophobicContact CZ3-CG2 3.74Å
36Q96.1Very high92.1Very high64 Ų6444.1 Ų44.130%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-123.1149.1168-66.7-173.7-4.100109.8I25 S26 I53 E54I25-Q36 CarbonylContact C-O 3.56Å; I25-Q36 WeakPolarHBondContact CA-O 3.48Å; S26-Q36 PolarHBondContact N-O 3.39Å; S26-Q36 PolarHBondContact O-N 2.86Å; Q36-I53 WeakPolarHBondContact CA-O 3.37Å; Q36-E54 HydrophobicContact CG-CB 4.26Å; Q36-E54 HydrophobicContact CG-CG 4.17Å; Q36-E54 PolarHBondContact NE2-OE2 2.73Å
37G95.3Very high92.2Very high0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-167.6169.417300000111.7R52 I53G37-R52 WeakPolarHBondContact O-CA 3.08Å; G37-I53 PolarHBondContact N-O 2.8Å; G37-I53 VanDerWaalsContact N-O 3.11Å; G37-I53 PolarHBondContact O-N 2.85Å
38L95.9Very high92.1Very high3 Ų346.9 Ų46.92%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-99.6120178.9-71.8176.4000110.2F22 R23 N24 A50 R52 E149 P152F22-L38 CarbonylContact C-O 3.59Å; F22-L38 VanDerWaalsContact CA-O 3.32Å; F22-L38 WeakPolarHBondContact CA-O 3.3Å; R23-L38 PolarHBondContact N-O 2.84Å; R23-L38 PolarHBondContact O-N 3.29Å; N24-L38 HydrophobicContact CB-CD1 3.99Å; N24-L38 HydrophobicContact CB-CG 4.26Å; L38-A50 HydrophobicContact CB-CB 4.43Å; L38-A50 HydrophobicContact CD1-CB 4.49Å; L38-A50 HydrophobicContact CD2-CB 4.29Å; L38-R52 HydrophobicContact CD2-CB 3.82Å; L38-E149 HydrophobicContact CD2-CB 4.17Å; L38-E149 HydrophobicContact CD2-CG 4.36Å; L38-E149 WeakPolarHBondContact CD2-OE2 3.49Å; L38-P152 HydrophobicContact CD1-CG 4.09Å
39I95.7Very high92.6Very high0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-75.2131.7161.7-65.5-174.7000108.4H21 F22 P41 A50 F51 I53 F70 L108 I109H21-I39 CarbonylContact O-C 3.11Å; H21-I39 VanDerWaalsContact O-CA 3.32Å; H21-I39 WeakPolarHBondContact O-CA 3.43Å; F22-I39 HydrophobicContact CD2-CG1 4.29Å; I39-P41 HydrophobicContact CG2-CG 4.09Å; I39-P41 WeakPolarHBondContact O-CD 3.32Å; I39-A50 CarbonylContact O-C 3.55Å; I39-A50 VanDerWaalsContact O-CA 3.3Å; I39-A50 WeakPolarHBondContact O-CA 3.2Å; I39-F51 PolarHBondContact N-O 3.21Å; I39-F51 PolarHBondContact O-N 3.26Å; I39-I53 HydrophobicContact CD1-CD1 3.95Å; I39-I53 HydrophobicContact CD1-CG1 4.36Å; I39-I53 HydrophobicContact CD1-CG2 3.77Å; I39-I53 HydrophobicContact CG1-CD1 4.07Å; I39-I53 HydrophobicContact CG1-CG1 4.17Å; I39-I53 HydrophobicContact CG1-CG2 4.11Å; I39-F70 HydrophobicContact CD1-CE1 4.43Å; I39-F70 HydrophobicContact CD1-CZ 4.15Å; I39-L108 HydrophobicContact CD1-CD2 3.49Å; I39-L108 VanDerWaalsContact CD1-CD2 3.49Å; I39-L108 HydrophobicContact CD1-CG 3.67Å; I39-I109 HydrophobicContact CG2-CG1 4.07Å
40V94.4Very high93.6Very high12 Ų1234.4 Ų34.47%0.07320%0.199CC..  trans-121.189.7-180-176.30000107.4H21 R23 A50 P152H21-V40 PolarHBondContact O-N 3.16Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.96Å; V40-A50 HydrophobicContact CG2-CB 4.22Å; V40-P152 HydrophobicContact CG2-CG 4.47Å
41P93.4Very high94.2Very high0 Ų029.9 Ų29.90%016%0.162CC..  trans-67.8151.6179.2-19.534.2000111.1I39 F51 V112 R151I39-P41 HydrophobicContact CG2-CG 4.09Å; I39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-F51 HydrophobicContact CG-CD2 3.88Å; P41-F51 HydrophobicContact CG-CE2 3.93Å; P41-V112 HydrophobicContact CB-CG1 4.26Å; P41-V112 HydrophobicContact CG-CG1 3.81Å; P41-R151 VanDerWaalsContact O-CZ 3.28Å; P41-R151 PolarHBondContact O-NH1 2.67Å; P41-R151 PolarHBondContact O-NH2 2.98Å
42D89.1Confident94.7Very high90 Ų9029.5 Ų29.548%0.48116%0.156SC..  trans-107-13.7178.7-69.6-7.8000112.9H21 D47 R151H21-D42 IonicContact CE1-OD1 3.39Å; H21-D42 IonicContact CE1-OD2 3.76Å; H21-D42 PolarHBondContact CE1-OD2 3.26Å; H21-D42 IonicContact ND1-OD1 3.92Å; H21-D42 PolarHBondContact ND1-OD1 2.85Å; H21-D42 IonicContact ND1-OD2 2.68Å; H21-D42 PolarHBondContact ND1-OD2 3.46Å; H21-D42 IonicContact NE2-OD2 2.81Å; D42-D47 WeakPolarHBondContact O-CB 3.36Å; D42-R151 IonicContact OD1-NH2 3.53Å
43S90.9Very high95Very high49 Ų4927.8 Ų27.834%0.34315%0.147SC..SBendtrans-103.9136.9-174.8-58.60000111.1Y46 D47S43-Y46 PolarHBondContact O-N 3.4Å; S43-Y46 VanDerWaalsContact O-N 3.16Å; S43-D47 PolarHBondContact O-N 2.81Å; S43-D47 VanDerWaalsContact O-N 3.16Å
44P93.7Very high95.1Very high77 Ų7727 Ų2750%0.514%0.142SC..THydrogen-bonded Turntrans-53.2146.7164.6-24.534.1000110.3D47 M137P44-D47 WeakPolarHBondContact CA-OD1 3.14Å; P44-M137 HydrophobicContact CB-CE 3.86Å
45P96.8Very high95.2Very high7 Ų725.6 Ų25.65%0.04513%0.133CC..THydrogen-bonded Turncis-906.29.335.1-33.5000114.5F136 M137 A140 E141P45-F136 HydrophobicContact CG-CE1 4.26Å; P45-M137 HydrophobicContact CB-CE 3.99Å; P45-M137 HydrophobicContact CB-SD 4.12Å; P45-M137 HydrophobicContact CG-CE 4.21Å; P45-M137 HydrophobicContact CG-SD 3.87Å; P45-A140 HydrophobicContact CB-CB 3.64Å; P45-A140 HydrophobicContact CG-CB 3.37Å; P45-E141 HydrophobicContact CB-CB 4.34Å
46Y96.8Very high95.2Very high1 Ų129.3 Ų29.30%0.00415%0.152CC..THydrogen-bonded Turntrans-103.6-6.1-169.7-50-63.4000114.1S43 K48 G49 F51 I74 Y75 H76 V112 A140S43-Y46 PolarHBondContact O-N 3.4Å; S43-Y46 VanDerWaalsContact O-N 3.16Å; Y46-K48 PolarHBondContact O-N 3.44Å; Y46-K48 VanDerWaalsContact O-N 3.09Å; Y46-G49 PolarHBondContact O-N 2.84Å; Y46-G49 VanDerWaalsContact O-N 3.09Å; Y46-F51 HydrophobicContact CD1-CE2 4.47Å; Y46-F51 HydrophobicContact CD1-CZ 4.04Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; Y46-F51 HydrophobicContact CG-CZ 4.5Å; Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.15Å; Y46-I74 HydrophobicContact CE1-CD1 4.11Å; Y46-I74 HydrophobicContact CE1-CG1 3.93Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.43Å; Y46-Y75 PolarHBondContact OH-O 3.18Å; Y46-H76 AromaticContact CE2-CD2 3.67Å; Y46-H76 AromaticContact CZ-CD2 3.58Å; Y46-H76 PolarHBondContact OH-CD2 3.35Å; Y46-V112 HydrophobicContact CD2-CG1 3.99Å; Y46-V112 WeakPolarHBondContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CE2-O 3.34Å; Y46-V112 HydrophobicContact CG-CG1 4.42Å; Y46-A140 HydrophobicContact CE1-CB 4.18Å
47D94.2Very high95.2Very high28 Ų2826.4 Ų26.415%0.1514%0.138CC..THydrogen-bonded Turntrans-62.6-13.8-175.569.4-44.8000115D42 S43 P44 R151D42-D47 WeakPolarHBondContact O-CB 3.36Å; S43-D47 PolarHBondContact O-N 2.81Å; S43-D47 VanDerWaalsContact O-N 3.16Å; P44-D47 WeakPolarHBondContact CA-OD1 3.14Å; D47-R151 WeakPolarHBondContact O-CD 3.28Å; D47-R151 PolarHBondContact O-NE 3.26Å; D47-R151 PolarHBondContact O-NH1 3.49Å
48K91.9Very high95.2Very high122 Ų12228 Ų2853%0.5315%0.148SC..THydrogen-bonded Turntrans-91-9.6176.9-55.7-50.3-177.3-142.80114Y46Y46-K48 PolarHBondContact O-N 3.44Å; Y46-K48 VanDerWaalsContact O-N 3.09Å
49G94.4Very high95Very high0 Ų031.2 Ų31.20%018%0.176CC..  trans-121.2174.2-176.700000113.8Y46 S148 R151Y46-G49 PolarHBondContact O-N 2.84Å; Y46-G49 VanDerWaalsContact O-N 3.09Å; G49-S148 WeakPolarHBondContact CA-OG 3.46Å; G49-R151 WeakPolarHBondContact O-CG 3.34Å; G49-R151 PolarHBondContact O-NH1 2.87Å
50A96.4Very high95Very high0 Ų035.4 Ų35.40%020%0.195CC..BIsolated β-bridgetrans-127.3150.5163.100000110L38 I39 V40 E149 R151L38-A50 HydrophobicContact CB-CB 4.43Å; L38-A50 HydrophobicContact CD1-CB 4.49Å; L38-A50 HydrophobicContact CD2-CB 4.29Å; I39-A50 CarbonylContact O-C 3.55Å; I39-A50 VanDerWaalsContact O-CA 3.3Å; I39-A50 WeakPolarHBondContact O-CA 3.2Å; V40-A50 HydrophobicContact CG2-CB 4.22Å; A50-E149 HydrophobicContact CB-CB 4.47Å; A50-E149 PolarHBondContact N-O 3.04Å; A50-E149 PolarHBondContact O-N 2.73Å; A50-R151 HydrophobicContact CB-CG 4.39Å
51F97.9Very high95Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-125.7116-173.4-59.1-88.9000110.4I39 P41 Y46 I53 F70 T72 I74 T144I39-F51 PolarHBondContact N-O 3.21Å; I39-F51 PolarHBondContact O-N 3.26Å; P41-F51 HydrophobicContact CG-CD2 3.88Å; P41-F51 HydrophobicContact CG-CE2 3.93Å; Y46-F51 HydrophobicContact CD1-CE2 4.47Å; Y46-F51 HydrophobicContact CD1-CZ 4.04Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; Y46-F51 HydrophobicContact CG-CZ 4.5Å; F51-I53 PolarHBondContact O-N 2.83Å; F51-F70 HydrophobicContact CB-CD1 3.98Å; F51-F70 HydrophobicContact CB-CE1 3.9Å; F51-T72 HydrophobicContact CD1-CG2 4Å; F51-I74 HydrophobicContact CD1-CB 3.82Å; F51-I74 HydrophobicContact CD1-CD1 3.85Å; F51-I74 HydrophobicContact CD1-CG1 3.93Å; F51-I74 HydrophobicContact CD2-CD1 4.32Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.71Å; F51-I74 HydrophobicContact CE1-CG1 3.49Å; F51-I74 VanDerWaalsContact CE1-CG1 3.49Å; F51-I74 HydrophobicContact CE2-CD1 4.24Å; F51-I74 HydrophobicContact CG-CD1 4.14Å; F51-I74 HydrophobicContact CZ-CD1 3.91Å; F51-I74 HydrophobicContact CZ-CG1 3.95Å; F51-T144 HydrophobicContact CE2-CG2 4.49Å; F51-T144 HydrophobicContact CZ-CG2 3.89Å
52R97.6Very high95.1Very high57 Ų5736 Ų3622%0.21520%0.198CC..EExtended strand (participates in β ladder)trans-72.6128.1175.8-173.3172.6-58.9-83.3-10.2110.2G37 L38 K71 T72 E149G37-R52 WeakPolarHBondContact O-CA 3.08Å; L38-R52 HydrophobicContact CD2-CB 3.82Å; R52-K71 HydrophobicContact CB-CB 4.26Å; R52-K71 HydrophobicContact CG-CB 4.15Å; R52-K71 HydrophobicContact CG-CG 4.48Å; R52-K71 PolarHBondContact O-N 2.83Å; R52-T72 VanDerWaalsContact CB-OG1 3.32Å; R52-T72 WeakPolarHBondContact CB-OG1 3.18Å; R52-T72 PolarHBondContact N-OG1 3.11Å; R52-T72 PolarHBondContact O-N 3.24Å; R52-E149 WeakPolarHBondContact CB-OE1 3.12Å; R52-E149 IonicContact CZ-OE1 3.77Å; R52-E149 IonicContact CZ-OE2 3.74Å; R52-E149 IonicContact NE-OE1 3.62Å; R52-E149 PolarHBondContact NE-OE1 2.61Å; R52-E149 IonicContact NE-OE2 2.84Å; R52-E149 IonicContact NH2-OE1 3.52Å; R52-E149 IonicContact NH2-OE2 2.73Å; R52-E149 PolarHBondContact NH2-OE2 3.23Å
53I97.8Very high95.4Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-116.8155.617163.3158.7000109.9F22 Q36 G37 I39 F51 I55 I68 T69 F70 L108F22-I53 HydrophobicContact CD2-CD1 4.47Å; F22-I53 HydrophobicContact CE2-CD1 3.76Å; F22-I53 HydrophobicContact CE2-CG1 3.8Å; F22-I53 HydrophobicContact CZ-CD1 4.4Å; Q36-I53 WeakPolarHBondContact CA-O 3.37Å; G37-I53 PolarHBondContact N-O 2.8Å; G37-I53 VanDerWaalsContact N-O 3.11Å; G37-I53 PolarHBondContact O-N 2.85Å; I39-I53 HydrophobicContact CD1-CD1 3.95Å; I39-I53 HydrophobicContact CD1-CG1 4.36Å; I39-I53 HydrophobicContact CD1-CG2 3.77Å; I39-I53 HydrophobicContact CG1-CD1 4.07Å; I39-I53 HydrophobicContact CG1-CG1 4.17Å; I39-I53 HydrophobicContact CG1-CG2 4.11Å; F51-I53 PolarHBondContact O-N 2.83Å; I53-I55 HydrophobicContact CD1-CD1 4.09Å; I53-I55 HydrophobicContact CD1-CG1 4.01Å; I53-I68 HydrophobicContact CB-CG2 4.22Å; I53-I68 HydrophobicContact CD1-CG2 4.17Å; I53-T69 CarbonylContact C-O 3.2Å; I53-T69 WeakPolarHBondContact CA-O 3.24Å; I53-F70 HydrophobicContact CG2-CD1 3.74Å; I53-F70 HydrophobicContact CG2-CD2 4.11Å; I53-F70 HydrophobicContact CG2-CE1 3.69Å; I53-F70 HydrophobicContact CG2-CE2 4.06Å; I53-F70 HydrophobicContact CG2-CG 3.94Å; I53-F70 HydrophobicContact CG2-CZ 3.85Å; I53-L108 HydrophobicContact CD1-CD2 3.96Å; I53-L108 HydrophobicContact CG2-CD2 4.46Å
54E97.1Very high95.6Very high26 Ų2642.1 Ų42.112%0.12122%0.215CC..EExtended strand (participates in β ladder)trans-119.2134168.1-176.8174.678.500108.6W35 Q36 I56 I68 T69 K71W35-E54 CarbonylContact O-C 3.55Å; W35-E54 VanDerWaalsContact O-CA 3.31Å; W35-E54 WeakPolarHBondContact O-CA 3.26Å; Q36-E54 HydrophobicContact CG-CB 4.26Å; Q36-E54 HydrophobicContact CG-CG 4.17Å; Q36-E54 PolarHBondContact NE2-OE2 2.73Å; E54-I56 HydrophobicContact CG-CG1 4Å; E54-I68 CarbonylContact O-C 3.58Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; E54-T69 PolarHBondContact N-O 2.8Å; E54-T69 PolarHBondContact O-N 2.85Å; E54-K71 HydrophobicContact CB-CD 4.45Å; E54-K71 HydrophobicContact CB-CG 4.22Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.34Å; E54-K71 IonicContact OE1-NZ 2.63Å; E54-K71 PolarHBondContact OE1-NZ 2.88Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.7Å; E54-K71 PolarHBondContact OE2-NZ 3.16Å
55I97.2Very high95.8Very high1 Ų139.5 Ų39.51%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-114.7115.8175.9-49.3177000107F22 W35 I53 F57 P66 K67 I68 T101 I105F22-I55 HydrophobicContact CZ-CD1 4.42Å; W35-I55 HydrophobicContact CB-CB 4.31Å; W35-I55 PolarHBondContact N-O 2.98Å; W35-I55 PolarHBondContact O-N 3.21Å; I53-I55 HydrophobicContact CD1-CD1 4.09Å; I53-I55 HydrophobicContact CD1-CG1 4.01Å; I55-F57 HydrophobicContact CB-CE2 4.22Å; I55-F57 HydrophobicContact CB-CZ 4.47Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.15Å; I55-F57 HydrophobicContact CG2-CE2 3.69Å; I55-F57 HydrophobicContact CG2-CZ 3.6Å; I55-P66 HydrophobicContact CG2-CB 3.87Å; I55-K67 CarbonylContact C-O 3.6Å; I55-K67 WeakPolarHBondContact CA-O 3.49Å; I55-I68 HydrophobicContact CG1-CG1 4.28Å; I55-I68 HydrophobicContact CG2-CG1 4.34Å; I55-T101 HydrophobicContact CD1-CG2 4.22Å; I55-I105 HydrophobicContact CD1-CD1 4.11Å; I55-I105 HydrophobicContact CD1-CG1 4.03Å
56I96.6Very high95.8Very high78 Ų7839.3 Ų39.340%0.420%0.197SC..EExtended strand (participates in β ladder)trans-106.9117.2178.4-55.8178.3000108.4E54 P66 K67E54-I56 HydrophobicContact CG-CG1 4Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.24Å; I56-K67 PolarHBondContact N-O 2.98Å; I56-K67 PolarHBondContact O-N 2.91Å
57F96.6Very high95.9Very high4 Ų446.5 Ų46.52%0.01823%0.228CC..  trans-89.8129.2174.7-59.6-88.3000109.7L7 L33 W35 I55 Y61 P66 T101L7-F57 HydrophobicContact CD1-CB 4.12Å; L7-F57 HydrophobicContact CD1-CD1 4.48Å; L7-F57 HydrophobicContact CD1-CD2 4.31Å; L7-F57 HydrophobicContact CD1-CG 4.05Å; L7-F57 HydrophobicContact CD2-CD1 3.53Å; L7-F57 HydrophobicContact CD2-CD2 4.04Å; L7-F57 HydrophobicContact CD2-CE1 3.48Å; L7-F57 VanDerWaalsContact CD2-CE1 3.48Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.8Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L33-F57 HydrophobicContact CB-CB 4.23Å; L33-F57 HydrophobicContact CD2-CB 4.09Å; L33-F57 WeakPolarHBondContact O-CD2 3.41Å; L33-F57 PolarHBondContact O-N 3.27Å; W35-F57 HydrophobicContact CB-CE2 4.38Å; W35-F57 AromaticContact CD1-CE2 3.79Å; W35-F57 AromaticContact CD2-CE2 3.57Å; W35-F57 HydrophobicContact CD2-CE2 3.57Å; W35-F57 HydrophobicContact CD2-CZ 4.03Å; W35-F57 AromaticContact CE2-CE2 3.63Å; W35-F57 HydrophobicContact CE3-CE2 4.12Å; W35-F57 HydrophobicContact CE3-CZ 4.13Å; W35-F57 AromaticContact CG-CE2 3.69Å; W35-F57 HydrophobicContact CG-CE2 3.69Å; W35-F57 HydrophobicContact CH2-CZ 4.38Å; W35-F57 HydrophobicContact CZ2-CE2 4.21Å; W35-F57 HydrophobicContact CZ2-CZ 4.28Å; W35-F57 HydrophobicContact CZ3-CZ 4.31Å; W35-F57 AromaticContact NE1-CE2 3.73Å; I55-F57 HydrophobicContact CB-CE2 4.22Å; I55-F57 HydrophobicContact CB-CZ 4.47Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.15Å; I55-F57 HydrophobicContact CG2-CE2 3.69Å; I55-F57 HydrophobicContact CG2-CZ 3.6Å; F57-Y61 HydrophobicContact CB-CG 4.44Å; F57-Y61 HydrophobicContact CD1-CD1 4.32Å; F57-Y61 AromaticContact CD1-CD2 3.7Å; F57-Y61 HydrophobicContact CD1-CD2 3.7Å; F57-Y61 HydrophobicContact CD1-CE1 4.42Å; F57-Y61 AromaticContact CD1-CE2 3.8Å; F57-Y61 HydrophobicContact CD1-CE2 3.8Å; F57-Y61 AromaticContact CD1-CG 3.98Å; F57-Y61 HydrophobicContact CD1-CG 3.98Å; F57-Y61 HydrophobicContact CE1-CD2 4.43Å; F57-Y61 HydrophobicContact CE1-CE2 4.07Å; F57-P66 HydrophobicContact CD1-CB 3.74Å; F57-P66 HydrophobicContact CD1-CG 4.44Å; F57-P66 HydrophobicContact CE1-CB 3.9Å; F57-P66 HydrophobicContact CE1-CG 4.28Å; F57-P66 HydrophobicContact CG-CB 4.4Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 WeakPolarHBondContact CE1-OG1 3.4Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å
58P95.3Very high96Very high32 Ų3245.4 Ų45.421%0.20822%0.222CC..  trans-67.5157.6171.529.4-34.6000110.7E60 Y61 K64 P65P58-E60 PolarHBondContact O-N 3.44Å; P58-E60 VanDerWaalsContact O-N 3.16Å; P58-Y61 WeakPolarHBondContact O-CB 3.27Å; P58-Y61 PolarHBondContact O-N 2.78Å; P58-K64 HydrophobicContact CB-CB 4.25Å; P58-K64 HydrophobicContact CG-CB 3.58Å; P58-P65 VanDerWaalsContact CD-O 3.29Å; P58-P65 WeakPolarHBondContact CD-O 3.44Å; P58-P65 WeakPolarHBondContact CG-O 3.38Å
59A92.3Very high96.3Very high72 Ų7240.7 Ų40.760%0.59520%0.204SC*.THydrogen-bonded Turntrans-59.2-29.4177.600000112.2Y61A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å
60E94.4Very high96.5Very high87 Ų8741 Ų4141%0.40721%0.205SC..THydrogen-bonded Turntrans-834.7178-50.495.113400113.6P58 F63 K64P58-E60 PolarHBondContact O-N 3.44Å; P58-E60 VanDerWaalsContact O-N 3.16Å; E60-F63 WeakPolarHBondContact O-CA 3.34Å; E60-F63 WeakPolarHBondContact O-CB 3.47Å; E60-F63 PolarHBondContact O-N 2.89Å; E60-K64 HydrophobicContact CB-CB 4.42Å; E60-K64 HydrophobicContact CB-CD 4.11Å; E60-K64 HydrophobicContact CB-CG 4.15Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 PolarHBondContact O-N 3.11Å; E60-K64 IonicContact OE1-NZ 2.73Å; E60-K64 PolarHBondContact OE1-NZ 2.88Å
61Y94.8Very high96.6Very high4 Ų446 Ų462%0.01623%0.227CC..THydrogen-bonded Turntrans-56.3133172.8-177.3-92.5000110.3S3 R6 L7 E10 F57 P58 A59 W95S3-Y61 WeakPolarHBondContact CB-O 3.21Å; R6-Y61 HydrophobicContact CG-CE1 4.33Å; R6-Y61 PolarHBondContact NH2-OH 3.39Å; L7-Y61 HydrophobicContact CD1-CD1 4.28Å; L7-Y61 HydrophobicContact CD2-CD1 3.85Å; L7-Y61 HydrophobicContact CD2-CE1 3.58Å; L7-Y61 HydrophobicContact CG-CD1 3.97Å; L7-Y61 HydrophobicContact CG-CE1 4.02Å; E10-Y61 PolarHBondContact OE1-OH 2.95Å; E10-Y61 VanDerWaalsContact OE1-OH 3.12Å; E10-Y61 PolarHBondContact OE2-OH 3.49Å; F57-Y61 HydrophobicContact CB-CG 4.44Å; F57-Y61 HydrophobicContact CD1-CD1 4.32Å; F57-Y61 AromaticContact CD1-CD2 3.7Å; F57-Y61 HydrophobicContact CD1-CD2 3.7Å; F57-Y61 HydrophobicContact CD1-CE1 4.42Å; F57-Y61 AromaticContact CD1-CE2 3.8Å; F57-Y61 HydrophobicContact CD1-CE2 3.8Å; F57-Y61 AromaticContact CD1-CG 3.98Å; F57-Y61 HydrophobicContact CD1-CG 3.98Å; F57-Y61 HydrophobicContact CE1-CD2 4.43Å; F57-Y61 HydrophobicContact CE1-CE2 4.07Å; P58-Y61 WeakPolarHBondContact O-CB 3.27Å; P58-Y61 PolarHBondContact O-N 2.78Å; A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å; Y61-W95 HydrophobicContact CD2-CZ2 4.21Å; Y61-W95 AromaticContact CE2-CH2 3.88Å; Y61-W95 HydrophobicContact CE2-CH2 3.88Å; Y61-W95 AromaticContact CE2-CZ2 3.67Å; Y61-W95 HydrophobicContact CE2-CZ2 3.67Å
62P95.4Very high96.5Very high20 Ų2046.6 Ų46.613%0.1323%0.23CC..THydrogen-bonded Turncis-95.411.412.639.3-38.6000115.1R6 W95 P97R6-P62 VanDerWaalsContact NH1-CB 3.28Å; R6-P62 VanDerWaalsContact NH1-CG 3.29Å; P62-W95 PolarHBondContact O-NE1 2.63Å; P62-P97 HydrophobicContact CB-CB 4.26Å; P62-P97 HydrophobicContact CG-CB 4.3Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.33Å; P62-P97 WeakPolarHBondContact O-CB 3.33Å
63F95.4Very high96.5Very high161 Ų16150.3 Ų50.371%0.70625%0.248SC*.THydrogen-bonded Turntrans-75.5-26.4-179.9-57.7-71.7000113E60 P97E60-F63 WeakPolarHBondContact O-CA 3.34Å; E60-F63 WeakPolarHBondContact O-CB 3.47Å; E60-F63 PolarHBondContact O-N 2.89Å; F63-P97 HydrophobicContact CD1-CG 4.28Å
64K96.1Very high96.5Very high107 Ų10750.8 Ų50.847%0.46525%0.251SS..SBendtrans-110.7146168.4-69.7-176.7-177.6169.10110.8P58 E60P58-K64 HydrophobicContact CB-CB 4.25Å; P58-K64 HydrophobicContact CG-CB 3.58Å; E60-K64 HydrophobicContact CB-CB 4.42Å; E60-K64 HydrophobicContact CB-CD 4.11Å; E60-K64 HydrophobicContact CB-CG 4.15Å; E60-K64 HydrophobicContact CG-CD 4.35Å; E60-K64 PolarHBondContact O-N 3.11Å; E60-K64 IonicContact OE1-NZ 2.73Å; E60-K64 PolarHBondContact OE1-NZ 2.88Å
65P97.3Very high96.5Very high23 Ų2351 Ų5115%0.14925%0.251CS..  trans-69.1154.1179.526.8-33.2000112.3P58 I90 W95P58-P65 VanDerWaalsContact CD-O 3.29Å; P58-P65 WeakPolarHBondContact CD-O 3.44Å; P58-P65 WeakPolarHBondContact CG-O 3.38Å; P65-I90 HydrophobicContact CB-CB 4.02Å; P65-I90 HydrophobicContact CB-CG2 4.49Å; P65-I90 VanDerWaalsContact CB-O 3.26Å; P65-I90 WeakPolarHBondContact CB-O 3.32Å; P65-I90 WeakPolarHBondContact CG-O 3.32Å; P65-W95 HydrophobicContact CB-CB 4.03Å; P65-W95 HydrophobicContact CB-CD2 3.55Å; P65-W95 HydrophobicContact CB-CE3 3.73Å; P65-W95 HydrophobicContact CB-CG 3.67Å; P65-W95 HydrophobicContact CB-CZ3 4.43Å; P65-W95 HydrophobicContact CG-CB 4.16Å; P65-W95 HydrophobicContact CG-CD2 4.48Å; P65-W95 HydrophobicContact CG-CG 4.11Å
66P97.3Very high96.6Very high3 Ų351 Ų512%0.01925%0.25CS..  trans-70.1159.1166.931.9-33.7000111.2I55 I56 F57 I90I55-P66 HydrophobicContact CG2-CB 3.87Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.24Å; F57-P66 HydrophobicContact CD1-CB 3.74Å; F57-P66 HydrophobicContact CD1-CG 4.44Å; F57-P66 HydrophobicContact CE1-CB 3.9Å; F57-P66 HydrophobicContact CE1-CG 4.28Å; F57-P66 HydrophobicContact CG-CB 4.4Å; P66-I90 HydrophobicContact CG-CG2 3.99Å
67K96.9Very high96.6Very high151 Ų15147.3 Ų47.366%0.65723%0.231SC*.EExtended strand (participates in β ladder)trans-105.6142.3168.6-66.5-176.3178.8-177.50109.7I55 I56I55-K67 CarbonylContact C-O 3.6Å; I55-K67 WeakPolarHBondContact CA-O 3.49Å; I56-K67 PolarHBondContact N-O 2.98Å; I56-K67 PolarHBondContact O-N 2.91Å
68I97.8Very high96.7Very high6 Ų647.4 Ų47.43%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-119.4138.9176.6-53.6178.4000109.5I53 E54 I55 V85 L87 I90 V104 L108I53-I68 HydrophobicContact CB-CG2 4.22Å; I53-I68 HydrophobicContact CD1-CG2 4.17Å; E54-I68 CarbonylContact O-C 3.58Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; I55-I68 HydrophobicContact CG1-CG1 4.28Å; I55-I68 HydrophobicContact CG2-CG1 4.34Å; I68-V85 HydrophobicContact CB-CG1 4.19Å; I68-V85 HydrophobicContact CG2-CG1 4.43Å; I68-L87 HydrophobicContact CD1-CD1 4Å; I68-I90 HydrophobicContact CD1-CD1 4.19Å; I68-I90 HydrophobicContact CG1-CD1 4.15Å; I68-V104 HydrophobicContact CD1-CG1 3.55Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å
69T97.9Very high96.8Very high22 Ų2245.9 Ų45.914%0.13522%0.222CC..EExtended strand (participates in β ladder)trans-139.8131.5174.8-60.60000110.3I53 E54 K71 G83 Q84I53-T69 CarbonylContact C-O 3.2Å; I53-T69 WeakPolarHBondContact CA-O 3.24Å; E54-T69 PolarHBondContact N-O 2.8Å; E54-T69 PolarHBondContact O-N 2.85Å; T69-K71 PolarHBondContact O-N 2.81Å; T69-G83 CarbonylContact C-O 3.58Å; T69-G83 WeakPolarHBondContact CA-O 3.31Å; T69-Q84 PolarHBondContact OG1-NE2 2.7Å
70F98.2Very high97Very high8 Ų844.6 Ų44.64%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-72.5124169.6-76.8-104.5000109.7I39 F51 I53 I74 I79 G83 V85 L108 V112I39-F70 HydrophobicContact CD1-CE1 4.43Å; I39-F70 HydrophobicContact CD1-CZ 4.15Å; F51-F70 HydrophobicContact CB-CD1 3.98Å; F51-F70 HydrophobicContact CB-CE1 3.9Å; I53-F70 HydrophobicContact CG2-CD1 3.74Å; I53-F70 HydrophobicContact CG2-CD2 4.11Å; I53-F70 HydrophobicContact CG2-CE1 3.69Å; I53-F70 HydrophobicContact CG2-CE2 4.06Å; I53-F70 HydrophobicContact CG2-CG 3.94Å; I53-F70 HydrophobicContact CG2-CZ 3.85Å; F70-I74 HydrophobicContact CD1-CG2 4.27Å; F70-I74 HydrophobicContact CE1-CD1 4.48Å; F70-I79 HydrophobicContact CB-CG2 4.43Å; F70-I79 HydrophobicContact CD1-CD1 4.39Å; F70-I79 HydrophobicContact CD2-CD1 3.92Å; F70-I79 HydrophobicContact CD2-CG1 4.37Å; F70-I79 HydrophobicContact CD2-CG2 3.95Å; F70-I79 HydrophobicContact CE1-CD1 3.99Å; F70-I79 HydrophobicContact CE2-CD1 3.47Å; F70-I79 VanDerWaalsContact CE2-CD1 3.47Å; F70-I79 HydrophobicContact CE2-CG1 4.12Å; F70-I79 HydrophobicContact CG-CD1 4.37Å; F70-I79 HydrophobicContact CG-CG2 4.24Å; F70-I79 HydrophobicContact CZ-CD1 3.52Å; F70-G83 PolarHBondContact N-O 2.93Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.42Å; F70-L108 HydrophobicContact CE2-CD1 3.78Å; F70-L108 HydrophobicContact CE2-CD2 4.26Å; F70-L108 HydrophobicContact CE2-CG 4.48Å; F70-L108 HydrophobicContact CZ-CD1 3.91Å; F70-L108 HydrophobicContact CZ-CD2 4.31Å; F70-L108 HydrophobicContact CZ-CG 4.32Å; F70-V112 HydrophobicContact CE1-CG2 4.44Å; F70-V112 HydrophobicContact CZ-CG2 3.9Å
71K97.8Very high97Very high105 Ų10548.1 Ų48.146%0.45722%0.222SC..SBendtrans-87.8-30.7171.2-60.1-61.7-177.8177.10111.1R52 E54 T69R52-K71 HydrophobicContact CB-CB 4.26Å; R52-K71 HydrophobicContact CG-CB 4.15Å; R52-K71 HydrophobicContact CG-CG 4.48Å; R52-K71 PolarHBondContact O-N 2.83Å; E54-K71 HydrophobicContact CB-CD 4.45Å; E54-K71 HydrophobicContact CB-CG 4.22Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.34Å; E54-K71 IonicContact OE1-NZ 2.63Å; E54-K71 PolarHBondContact OE1-NZ 2.88Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.7Å; E54-K71 PolarHBondContact OE2-NZ 3.16Å; T69-K71 PolarHBondContact O-N 2.81Å
72T97.5Very high97.1Very high11 Ų1156 Ų567%0.06726%0.256CS..SBendtrans-85.9130.3171.9-50.60000109.7F51 R52 H147 E149F51-T72 HydrophobicContact CD1-CG2 4Å; R52-T72 VanDerWaalsContact CB-OG1 3.32Å; R52-T72 WeakPolarHBondContact CB-OG1 3.18Å; R52-T72 PolarHBondContact N-OG1 3.11Å; R52-T72 PolarHBondContact O-N 3.24Å; T72-H147 VanDerWaalsContact CG2-O 3.27Å; T72-H147 WeakPolarHBondContact CG2-O 3.39Å; T72-E149 HydrophobicContact CG2-CG 4.46Å; T72-E149 PolarHBondContact OG1-OE1 2.89Å
73K96.8Very high97.1Very high136 Ų13655.3 Ų55.359%0.59125%0.253SS*.  trans-62.2141.2175.8-63.2-174.2178.3-1730110.3F143 H147K73-F143 HydrophobicContact CB-CE1 3.8Å; K73-F143 HydrophobicContact CB-CZ 3.94Å; K73-H147 HydrophobicContact CB-CB 4.35Å
74I97.9Very high97.2Very high10 Ų1051.6 Ų51.65%0.05124%0.238CC..  trans-138.9143178.3-170172.1000110.3Y46 F51 F70 H76 I79 V112Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.15Å; Y46-I74 HydrophobicContact CE1-CD1 4.11Å; Y46-I74 HydrophobicContact CE1-CG1 3.93Å; F51-I74 HydrophobicContact CD1-CB 3.82Å; F51-I74 HydrophobicContact CD1-CD1 3.85Å; F51-I74 HydrophobicContact CD1-CG1 3.93Å; F51-I74 HydrophobicContact CD2-CD1 4.32Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.71Å; F51-I74 HydrophobicContact CE1-CG1 3.49Å; F51-I74 VanDerWaalsContact CE1-CG1 3.49Å; F51-I74 HydrophobicContact CE2-CD1 4.24Å; F51-I74 HydrophobicContact CG-CD1 4.14Å; F51-I74 HydrophobicContact CZ-CD1 3.91Å; F51-I74 HydrophobicContact CZ-CG1 3.95Å; F70-I74 HydrophobicContact CD1-CG2 4.27Å; F70-I74 HydrophobicContact CE1-CD1 4.48Å; I74-H76 HydrophobicContact CD1-CB 4.22Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.82Å; I74-I79 HydrophobicContact CD1-CD1 4.16Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.59Å; I74-I79 HydrophobicContact CG2-CG1 4.34Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; I74-V112 HydrophobicContact CD1-CG1 4.32Å
75Y97.9Very high97.2Very high31 Ų3147.3 Ų47.312%0.12222%0.22CC..  trans-92.383.5175.2-168.5-90.4000109Y46 L125 E128 F136 N139 A140 F143Y46-Y75 WeakPolarHBondContact CE1-O 3.43Å; Y46-Y75 PolarHBondContact OH-O 3.18Å; Y75-L125 HydrophobicContact CD1-CD1 4.07Å; Y75-L125 HydrophobicContact CD1-CD2 4.35Å; Y75-L125 HydrophobicContact CD2-CD1 4.17Å; Y75-L125 HydrophobicContact CD2-CD2 4.24Å; Y75-L125 HydrophobicContact CE1-CD1 4.19Å; Y75-L125 HydrophobicContact CE1-CD2 3.65Å; Y75-L125 HydrophobicContact CE1-CG 4.46Å; Y75-L125 HydrophobicContact CE2-CD1 4.26Å; Y75-L125 HydrophobicContact CE2-CD2 3.5Å; Y75-L125 HydrophobicContact CG-CD1 4.09Å; Y75-L125 VanDerWaalsContact OH-CD2 3.24Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.24Å; Y75-E128 PolarHBondContact OH-OE1 2.99Å; Y75-F136 HydrophobicContact CD1-CD2 4.3Å; Y75-F136 AromaticContact CD1-CE2 3.85Å; Y75-F136 HydrophobicContact CD1-CE2 3.85Å; Y75-F136 HydrophobicContact CD1-CZ 4.26Å; Y75-F136 AromaticContact CE1-CD2 3.77Å; Y75-F136 HydrophobicContact CE1-CD2 3.77Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; Y75-N139 HydrophobicContact CE1-CB 3.96Å; Y75-A140 HydrophobicContact CD1-CB 3.79Å; Y75-A140 HydrophobicContact CG-CB 4.49Å; Y75-F143 HydrophobicContact CD2-CD2 4.19Å; Y75-F143 HydrophobicContact CD2-CG 4.35Å; Y75-F143 HydrophobicContact CG-CB 4.42Å; Y75-F143 HydrophobicContact CG-CG 4.46Å
76H98.1Very high97Very high0 Ų050.5 Ų50.50%024%0.242CC..  trans-140.4135.8-172.5-167.6-78.9000111Y46 I74 N78 I79 L111 V112Y46-H76 AromaticContact CE2-CD2 3.67Å; Y46-H76 AromaticContact CZ-CD2 3.58Å; Y46-H76 PolarHBondContact OH-CD2 3.35Å; I74-H76 HydrophobicContact CD1-CB 4.22Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.82Å; H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.77Å; H76-N78 VanDerWaalsContact CE1-OD1 3.24Å; H76-N78 PolarHBondContact ND1-N 3.01Å; H76-N78 VanDerWaalsContact ND1-N 3.11Å; H76-N78 PolarHBondContact O-N 3.33Å; H76-I79 HydrophobicContact CB-CB 4.19Å; H76-I79 HydrophobicContact CB-CD1 3.98Å; H76-I79 HydrophobicContact CB-CG1 4.21Å; H76-I79 PolarHBondContact O-N 3.31Å; H76-L111 PolarHBondContact CE1-O 3.41Å; H76-L111 PolarHBondContact NE2-O 2.8Å; H76-L111 VanDerWaalsContact NE2-O 3.11Å; H76-V112 PolarHBondContact NE2-O 2.86Å
77P97.8Very high96.8Very high0 Ų050.9 Ų50.90%024%0.244CC..THydrogen-bonded Turntrans-67.8-28.2-17526.9-35.4000113.7P115 P120 L121 R122 L125 A126P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.46Å; P77-P120 HydrophobicContact CB-CB 4.4Å; P77-L121 PolarHBondContact O-N 3.02Å; P77-R122 PolarHBondContact O-N 3.28Å; P77-L125 HydrophobicContact CB-CB 4.07Å; P77-A126 HydrophobicContact CB-CB 3.98Å
78N98Very high96.7Very high6 Ų647.4 Ų47.43%0.03224%0.237CC..THydrogen-bonded Turntrans-937.6178.8-49.2100.6000114.6H76 L111 Q116 H119 L121H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.77Å; H76-N78 VanDerWaalsContact CE1-OD1 3.24Å; H76-N78 PolarHBondContact ND1-N 3.01Å; H76-N78 VanDerWaalsContact ND1-N 3.11Å; H76-N78 PolarHBondContact O-N 3.33Å; N78-L111 HydrophobicContact CB-CD1 4.03Å; N78-L111 HydrophobicContact CB-CD2 3.94Å; N78-L111 HydrophobicContact CB-CG 4.19Å; N78-Q116 PolarHBondContact ND2-O 2.84Å; N78-Q116 PolarHBondContact OD1-N 2.92Å; N78-H119 PolarHBondContact ND2-O 3.39Å; N78-L121 WeakPolarHBondContact O-CD1 3.26Å
79I98.1Very high96.6Very high0 Ų049 Ų490%025%0.245CC..BIsolated β-bridgetrans-127.9126.1178.7-56.2168.1000108.2F70 I74 H76 Q84 V85 V112 R122F70-I79 HydrophobicContact CB-CG2 4.43Å; F70-I79 HydrophobicContact CD1-CD1 4.39Å; F70-I79 HydrophobicContact CD2-CD1 3.92Å; F70-I79 HydrophobicContact CD2-CG1 4.37Å; F70-I79 HydrophobicContact CD2-CG2 3.95Å; F70-I79 HydrophobicContact CE1-CD1 3.99Å; F70-I79 HydrophobicContact CE2-CD1 3.47Å; F70-I79 VanDerWaalsContact CE2-CD1 3.47Å; F70-I79 HydrophobicContact CE2-CG1 4.12Å; F70-I79 HydrophobicContact CG-CD1 4.37Å; F70-I79 HydrophobicContact CG-CG2 4.24Å; F70-I79 HydrophobicContact CZ-CD1 3.52Å; I74-I79 HydrophobicContact CD1-CD1 4.16Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.59Å; I74-I79 HydrophobicContact CG2-CG1 4.34Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; H76-I79 HydrophobicContact CB-CB 4.19Å; H76-I79 HydrophobicContact CB-CD1 3.98Å; H76-I79 HydrophobicContact CB-CG1 4.21Å; H76-I79 PolarHBondContact O-N 3.31Å; I79-Q84 WeakPolarHBondContact CA-O 3.5Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; I79-V112 HydrophobicContact CD1-CG2 4.35Å; I79-R122 WeakPolarHBondContact O-CD 3.33Å
80D96.5Very high96.5Very high46 Ų4648.9 Ų48.925%0.24624%0.243CC..  trans-78.6173.8-179.583.30.7000112.6K82 G83 Q84 L121D80-K82 PolarHBondContact O-N 3.07Å; D80-K82 VanDerWaalsContact OD1-CA 3.27Å; D80-K82 WeakPolarHBondContact OD1-CA 3.32Å; D80-K82 WeakPolarHBondContact OD1-CB 3.32Å; D80-K82 PolarHBondContact OD1-N 2.84Å; D80-G83 PolarHBondContact O-N 3.47Å; D80-G83 PolarHBondContact OD1-N 3.25Å; D80-Q84 PolarHBondContact N-O 3.01Å; D80-Q84 PolarHBondContact OD1-N 3.2Å; D80-Q84 WeakPolarHBondContact OD2-CB 3.37Å; D80-L121 HydrophobicContact CB-CB 4.32Å; D80-L121 HydrophobicContact CB-CD1 4.37Å
81E94.4Very high96.4Very high160 Ų16049.6 Ų49.675%0.74825%0.249SC*.THydrogen-bonded Turntrans-66.8-17.7-179.7-60.1-168.7155.800114.2G83E81-G83 VanDerWaalsContact C-N 3.32Å
82K95.6Very high96.2Very high171 Ų17150.6 Ų50.674%0.74326%0.264SS*.THydrogen-bonded Turntrans-91.11.9174.4-61.8179.1-179.3175.90111.9D80 Q84D80-K82 PolarHBondContact O-N 3.07Å; D80-K82 VanDerWaalsContact OD1-CA 3.27Å; D80-K82 WeakPolarHBondContact OD1-CA 3.32Å; D80-K82 WeakPolarHBondContact OD1-CB 3.32Å; D80-K82 PolarHBondContact OD1-N 2.84Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-Q84 HydrophobicContact CB-CG 4.45Å
83G96.6Very high96.1Very high5 Ų557.2 Ų57.25%0.05229%0.294CS..  trans7812.4-179.400000114.7T69 F70 D80 E81T69-G83 CarbonylContact C-O 3.58Å; T69-G83 WeakPolarHBondContact CA-O 3.31Å; F70-G83 PolarHBondContact N-O 2.93Å; D80-G83 PolarHBondContact O-N 3.47Å; D80-G83 PolarHBondContact OD1-N 3.25Å; E81-G83 VanDerWaalsContact C-N 3.32Å
84Q96.8Very high96.1Very high83 Ų8354.7 Ų54.739%0.38829%0.287SS..BIsolated β-bridgetrans-70.7144173.8-56.6-59.7-68.300110.2T69 I79 D80 K82 L121T69-Q84 PolarHBondContact OG1-NE2 2.7Å; I79-Q84 WeakPolarHBondContact CA-O 3.5Å; D80-Q84 PolarHBondContact N-O 3.01Å; D80-Q84 PolarHBondContact OD1-N 3.2Å; D80-Q84 WeakPolarHBondContact OD2-CB 3.37Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-Q84 HydrophobicContact CB-CG 4.45Å; Q84-L121 WeakPolarHBondContact O-CD1 3.35Å
85V96.2Very high96Very high16 Ų1655.5 Ų55.510%0.09729%0.289CS..BIsolated β-bridgetrans-134.3134.6178.462.10000109.5I68 F70 I79 L87 L108 L111I68-V85 HydrophobicContact CB-CG1 4.19Å; I68-V85 HydrophobicContact CG2-CG1 4.43Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.42Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; V85-L87 HydrophobicContact CG1-CD1 4.41Å; V85-L87 HydrophobicContact CG1-CG 4.4Å; V85-L87 HydrophobicContact CG2-CD2 4.43Å; V85-L87 HydrophobicContact CG2-CG 4.05Å; V85-L108 HydrophobicContact CG1-CD1 4.28Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; V85-L111 HydrophobicContact CG2-CD2 3.64Å
86C92.3Very high96Very high90 Ų9060.8 Ų60.861%0.60831%0.313SS*.  trans-92.9110.4170.5-73.50000109
87L94.7Very high95.9Very high11 Ų1163.4 Ų63.46%0.05833%0.33CS..  trans-115.4119175.7-77.7175.2000109.4I68 V85 I89 I90 S91 L108 L111I68-L87 HydrophobicContact CD1-CD1 4Å; V85-L87 HydrophobicContact CG1-CD1 4.41Å; V85-L87 HydrophobicContact CG1-CG 4.4Å; V85-L87 HydrophobicContact CG2-CD2 4.43Å; V85-L87 HydrophobicContact CG2-CG 4.05Å; L87-I89 HydrophobicContact CB-CG2 4.31Å; L87-I89 PolarHBondContact O-N 3.47Å; L87-I89 VanDerWaalsContact O-N 3.15Å; L87-I90 HydrophobicContact CB-CD1 3.99Å; L87-I90 HydrophobicContact CB-CG1 3.61Å; L87-I90 HydrophobicContact CD1-CD1 4.15Å; L87-I90 HydrophobicContact CD1-CG1 4.48Å; L87-I90 VanDerWaalsContact O-CG1 3.32Å; L87-I90 WeakPolarHBondContact O-CG1 3.22Å; L87-I90 PolarHBondContact O-N 3.46Å; L87-S91 PolarHBondContact O-N 2.84Å; L87-L108 HydrophobicContact CD1-CB 3.86Å; L87-L108 HydrophobicContact CD1-CD1 3.98Å; L87-L108 HydrophobicContact CD1-CG 4.34Å; L87-L108 HydrophobicContact CD2-CD1 4.37Å; L87-L108 HydrophobicContact CG-CD1 4.45Å; L87-L111 HydrophobicContact CD2-CB 4.24Å; L87-L111 HydrophobicContact CD2-CD2 3.63Å
88P94.1Very high95.8Very high78 Ų7867.2 Ų67.251%0.50636%0.361SS..G310 helixtrans-55.2-35.3-179.7-28.835.5000113.7I90 S91 N94P88-I90 PolarHBondContact O-N 2.84Å; P88-I90 VanDerWaalsContact O-N 3.16Å; P88-S91 PolarHBondContact O-N 3.48Å; P88-S91 VanDerWaalsContact O-N 3.16Å; P88-S91 PolarHBondContact O-OG 3.04Å; P88-S91 VanDerWaalsContact O-OG 3.11Å; P88-N94 WeakPolarHBondContact O-CB 3.34Å
89I96.3Very high95.7Very high40 Ų4067.7 Ų67.721%0.20537%0.365CS..G310 helixtrans-63.4-21.6-179.2-170.3169.3000114L87 T99 Q103 V104 C107L87-I89 HydrophobicContact CB-CG2 4.31Å; L87-I89 PolarHBondContact O-N 3.47Å; L87-I89 VanDerWaalsContact O-N 3.15Å; I89-T99 HydrophobicContact CD1-CG2 3.76Å; I89-T99 HydrophobicContact CG1-CG2 3.79Å; I89-Q103 HydrophobicContact CD1-CB 4.12Å; I89-V104 HydrophobicContact CD1-CG2 4.37Å; I89-V104 HydrophobicContact CG1-CG2 4.44Å; I89-V104 HydrophobicContact CG2-CG1 4.43Å; I89-V104 HydrophobicContact CG2-CG2 4.36Å; I89-C107 HydrophobicContact CG2-CB 3.94Å
90I96Very high95.6Very high19 Ų1972.4 Ų72.410%0.09739%0.385CS..G310 helixtrans-116.29.8177.557.1168.7000112.7P65 P66 I68 L87 P88 W95 V104P65-I90 HydrophobicContact CB-CB 4.02Å; P65-I90 HydrophobicContact CB-CG2 4.49Å; P65-I90 VanDerWaalsContact CB-O 3.26Å; P65-I90 WeakPolarHBondContact CB-O 3.32Å; P65-I90 WeakPolarHBondContact CG-O 3.32Å; P66-I90 HydrophobicContact CG-CG2 3.99Å; I68-I90 HydrophobicContact CD1-CD1 4.19Å; I68-I90 HydrophobicContact CG1-CD1 4.15Å; L87-I90 HydrophobicContact CB-CD1 3.99Å; L87-I90 HydrophobicContact CB-CG1 3.61Å; L87-I90 HydrophobicContact CD1-CD1 4.15Å; L87-I90 HydrophobicContact CD1-CG1 4.48Å; L87-I90 VanDerWaalsContact O-CG1 3.32Å; L87-I90 WeakPolarHBondContact O-CG1 3.22Å; L87-I90 PolarHBondContact O-N 3.46Å; P88-I90 PolarHBondContact O-N 2.84Å; P88-I90 VanDerWaalsContact O-N 3.16Å; I90-W95 HydrophobicContact CG2-CE3 4.13Å; I90-W95 HydrophobicContact CG2-CZ3 3.94Å; I90-V104 HydrophobicContact CG2-CB 4.33Å; I90-V104 HydrophobicContact CG2-CG1 3.61Å; I90-V104 HydrophobicContact CG2-CG2 3.67Å
91S95.1Very high95.5Very high24 Ų2470.3 Ų70.317%0.16837%0.374CS..SBendtrans-69.8148.2171.776.80000110L87 P88 E93 N94 W95L87-S91 PolarHBondContact O-N 2.84Å; P88-S91 PolarHBondContact O-N 3.48Å; P88-S91 VanDerWaalsContact O-N 3.16Å; P88-S91 PolarHBondContact O-OG 3.04Å; P88-S91 VanDerWaalsContact O-OG 3.11Å; S91-E93 WeakPolarHBondContact CB-OE1 3.37Å; S91-E93 PolarHBondContact O-N 2.76Å; S91-E93 PolarHBondContact OG-OE1 3.41Å; S91-N94 PolarHBondContact O-N 3.47Å; S91-N94 VanDerWaalsContact O-N 3.11Å; S91-N94 WeakPolarHBondContact OG-CB 3.38Å; S91-N94 PolarHBondContact OG-ND2 2.9Å; S91-W95 WeakPolarHBondContact O-CB 3.39Å; S91-W95 PolarHBondContact O-N 3.23Å
92V94.3Very high95.5Very high126 Ų12664.3 Ų64.376%0.76435%0.349SS*.THydrogen-bonded Turntrans-60.3-37.1-173.3177.40000110.9
93E94.8Very high95.5Very high150 Ų15060.1 Ų60.170%0.70133%0.332SS*.THydrogen-bonded Turntrans-70.8-26.5178.666.5-80.3168.100114.6S91S91-E93 WeakPolarHBondContact CB-OE1 3.37Å; S91-E93 PolarHBondContact O-N 2.76Å; S91-E93 PolarHBondContact OG-OE1 3.41Å
94N95.7Very high95.5Very high83 Ų8360 Ų6044%0.44433%0.33SS..THydrogen-bonded Turntrans-108-9.9-174.3-67.8-41.5000113.7P88 S91 K96P88-N94 WeakPolarHBondContact O-CB 3.34Å; S91-N94 PolarHBondContact O-N 3.47Å; S91-N94 VanDerWaalsContact O-N 3.11Å; S91-N94 WeakPolarHBondContact OG-CB 3.38Å; S91-N94 PolarHBondContact OG-ND2 2.9Å; N94-K96 PolarHBondContact O-N 3.15Å
95W97.5Very high95.4Very high26 Ų2656 Ų5610%0.09831%0.312CS..  trans-62.9128.5-176.4177.5-109.4000111.5Y61 P62 P65 I90 S91 T99 V104Y61-W95 HydrophobicContact CD2-CZ2 4.21Å; Y61-W95 AromaticContact CE2-CH2 3.88Å; Y61-W95 HydrophobicContact CE2-CH2 3.88Å; Y61-W95 AromaticContact CE2-CZ2 3.67Å; Y61-W95 HydrophobicContact CE2-CZ2 3.67Å; P62-W95 PolarHBondContact O-NE1 2.63Å; P65-W95 HydrophobicContact CB-CB 4.03Å; P65-W95 HydrophobicContact CB-CD2 3.55Å; P65-W95 HydrophobicContact CB-CE3 3.73Å; P65-W95 HydrophobicContact CB-CG 3.67Å; P65-W95 HydrophobicContact CB-CZ3 4.43Å; P65-W95 HydrophobicContact CG-CB 4.16Å; P65-W95 HydrophobicContact CG-CD2 4.48Å; P65-W95 HydrophobicContact CG-CG 4.11Å; I90-W95 HydrophobicContact CG2-CE3 4.13Å; I90-W95 HydrophobicContact CG2-CZ3 3.94Å; S91-W95 WeakPolarHBondContact O-CB 3.39Å; S91-W95 PolarHBondContact O-N 3.23Å; W95-T99 HydrophobicContact CE3-CG2 4.43Å; W95-T99 HydrophobicContact CH2-CG2 4.17Å; W95-T99 HydrophobicContact CZ3-CG2 3.68Å; W95-V104 HydrophobicContact CZ3-CG2 4.22Å
96K96.8Very high95.3Very high143 Ų14360.6 Ų60.662%0.62233%0.332SS*.  trans-116129.3173.2-61.1-178.1-175.5178.70108.1N94 A98 T99N94-K96 PolarHBondContact O-N 3.15Å; K96-A98 PolarHBondContact O-N 3.39Å; K96-T99 VanDerWaalsContact O-CB 3.23Å; K96-T99 WeakPolarHBondContact O-CB 3.37Å; K96-T99 PolarHBondContact O-N 3.45Å; K96-T99 PolarHBondContact O-OG1 2.9Å; K96-T99 VanDerWaalsContact O-OG1 3.13Å
97P95.9Very high95.4Very high54 Ų5458.7 Ų58.735%0.35132%0.32SS..THydrogen-bonded Turntrans-57.5-20.9176.6-27.835.6000113.9R6 P62 F63 T99R6-P97 PolarHBondContact NH1-O 2.73Å; R6-P97 PolarHBondContact NH2-O 3.37Å; P62-P97 HydrophobicContact CB-CB 4.26Å; P62-P97 HydrophobicContact CG-CB 4.3Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.33Å; P62-P97 WeakPolarHBondContact O-CB 3.33Å; F63-P97 HydrophobicContact CD1-CG 4.28Å; P97-T99 VanDerWaalsContact C-N 3.29Å; P97-T99 PolarHBondContact O-N 3.44Å
98A96Very high95.5Very high80 Ų8058.2 Ų58.266%0.66132%0.317SS*.THydrogen-bonded Turntrans-73.9-16.3174.900000114.1K96 K100K96-A98 PolarHBondContact O-N 3.39Å; A98-K100 PolarHBondContact O-N 2.91Å
99T96.5Very high95.5Very high16 Ų1655 Ų5510%0.09830%0.296CS..  trans-64.8129.4179.6-60.20000110.9R6 I89 W95 K96 P97 V104R6-T99 PolarHBondContact NH2-O 2.94Å; I89-T99 HydrophobicContact CD1-CG2 3.76Å; I89-T99 HydrophobicContact CG1-CG2 3.79Å; W95-T99 HydrophobicContact CE3-CG2 4.43Å; W95-T99 HydrophobicContact CH2-CG2 4.17Å; W95-T99 HydrophobicContact CZ3-CG2 3.68Å; K96-T99 VanDerWaalsContact O-CB 3.23Å; K96-T99 WeakPolarHBondContact O-CB 3.37Å; K96-T99 PolarHBondContact O-N 3.45Å; K96-T99 PolarHBondContact O-OG1 2.9Å; K96-T99 VanDerWaalsContact O-OG1 3.13Å; P97-T99 VanDerWaalsContact C-N 3.29Å; P97-T99 PolarHBondContact O-N 3.44Å; T99-V104 HydrophobicContact CG2-CG2 3.88Å
100K95.3Very high95.4Very high100 Ų10055.8 Ų55.844%0.43531%0.308SS..  trans-93.2151.9178.3-61.9-176.2-178.7-176.50111.5A98 C102 Q103 V104A98-K100 PolarHBondContact O-N 2.91Å; K100-C102 PolarHBondContact O-N 3.44Å; K100-Q103 HydrophobicContact CB-CG 4.39Å; K100-Q103 WeakPolarHBondContact O-CB 3.41Å; K100-Q103 PolarHBondContact O-N 2.92Å; K100-V104 PolarHBondContact O-N 3.39Å
101T94.7Very high95.4Very high1 Ų155.4 Ų55.41%0.00631%0.306CS..Hα-helixtrans-58.4-36.6177.8-50.80000112E10 I14 W35 I55 F57 Q103 V104 I105E10-T101 VanDerWaalsContact OE2-CB 3.23Å; E10-T101 WeakPolarHBondContact OE2-CB 3.43Å; E10-T101 PolarHBondContact OE2-N 3.31Å; E10-T101 PolarHBondContact OE2-OG1 2.87Å; I14-T101 HydrophobicContact CD1-CG2 4.27Å; W35-T101 HydrophobicContact CE3-CG2 4.18Å; W35-T101 HydrophobicContact CH2-CG2 4.46Å; W35-T101 HydrophobicContact CZ3-CG2 3.74Å; I55-T101 HydrophobicContact CD1-CG2 4.22Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 WeakPolarHBondContact CE1-OG1 3.4Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å; T101-Q103 VanDerWaalsContact C-N 3.3Å; T101-Q103 PolarHBondContact O-N 3.35Å; T101-V104 WeakPolarHBondContact O-CB 3.32Å; T101-V104 PolarHBondContact O-N 3.21Å; T101-I105 HydrophobicContact CG2-CD1 3.92Å; T101-I105 HydrophobicContact CG2-CG1 4.42Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 2.75Å
102C94Very high95.4Very high34 Ų3454.2 Ų54.223%0.2330%0.298CS..Hα-helixtrans-60.6-3817660.40000112.9I14 M19 K100 I105 Q106I14-C102 HydrophobicContact CD1-CB 4.27Å; I14-C102 HydrophobicContact CG1-CB 3.93Å; M19-C102 HydrophobicContact CE-CB 3.96Å; K100-C102 PolarHBondContact O-N 3.44Å; C102-I105 PolarHBondContact O-N 3.36Å; C102-Q106 WeakPolarHBondContact O-CB 3.49Å; C102-Q106 VanDerWaalsContact O-CG 3.24Å; C102-Q106 WeakPolarHBondContact O-CG 3.37Å; C102-Q106 PolarHBondContact O-N 2.97Å
103Q95.3Very high95.3Very high83 Ų8350.4 Ų50.439%0.38827%0.273SS..Hα-helixtrans-67.6-39.8176.8-60.6174.1-69.600110.7I89 K100 T101 Q106 C107I89-Q103 HydrophobicContact CD1-CB 4.12Å; K100-Q103 HydrophobicContact CB-CG 4.39Å; K100-Q103 WeakPolarHBondContact O-CB 3.41Å; K100-Q103 PolarHBondContact O-N 2.92Å; T101-Q103 VanDerWaalsContact C-N 3.3Å; T101-Q103 PolarHBondContact O-N 3.35Å; Q103-Q106 PolarHBondContact O-N 3.23Å; Q103-C107 PolarHBondContact O-N 2.67Å; Q103-C107 PolarHBondContact O-SG 3.47Å; Q103-C107 VanDerWaalsContact O-SG 3.41Å
104V96.4Very high95.2Very high2 Ų247 Ų471%0.01227%0.266CS..Hα-helixtrans-61.8-46.4175.4178.70000111I68 I89 I90 W95 T99 K100 T101 Q106 C107 L108I68-V104 HydrophobicContact CD1-CG1 3.55Å; I89-V104 HydrophobicContact CD1-CG2 4.37Å; I89-V104 HydrophobicContact CG1-CG2 4.44Å; I89-V104 HydrophobicContact CG2-CG1 4.43Å; I89-V104 HydrophobicContact CG2-CG2 4.36Å; I90-V104 HydrophobicContact CG2-CB 4.33Å; I90-V104 HydrophobicContact CG2-CG1 3.61Å; I90-V104 HydrophobicContact CG2-CG2 3.67Å; W95-V104 HydrophobicContact CZ3-CG2 4.22Å; T99-V104 HydrophobicContact CG2-CG2 3.88Å; K100-V104 PolarHBondContact O-N 3.39Å; T101-V104 WeakPolarHBondContact O-CB 3.32Å; T101-V104 PolarHBondContact O-N 3.21Å; V104-Q106 VanDerWaalsContact C-N 3.34Å; V104-Q106 PolarHBondContact O-N 3.47Å; V104-C107 PolarHBondContact O-N 2.98Å; V104-L108 PolarHBondContact O-N 3.08Å
105I95.2Very high95.1Very high0 Ų043.8 Ų43.80%025%0.249CC..Hα-helixtrans-61.4-42.8176.8-68.4162.1000110.7I14 M19 F22 I55 T101 C102 L108 I109I14-I105 HydrophobicContact CD1-CD1 4.14Å; M19-I105 HydrophobicContact SD-CB 4.49Å; M19-I105 HydrophobicContact SD-CG2 3.81Å; F22-I105 HydrophobicContact CB-CG2 3.88Å; F22-I105 HydrophobicContact CD1-CD1 3.71Å; F22-I105 HydrophobicContact CD1-CG2 4.38Å; F22-I105 HydrophobicContact CD2-CG2 4.39Å; F22-I105 HydrophobicContact CE1-CD1 3.68Å; F22-I105 HydrophobicContact CG-CD1 4.33Å; F22-I105 HydrophobicContact CG-CG2 3.98Å; F22-I105 HydrophobicContact CZ-CD1 4.29Å; I55-I105 HydrophobicContact CD1-CD1 4.11Å; I55-I105 HydrophobicContact CD1-CG1 4.03Å; T101-I105 HydrophobicContact CG2-CD1 3.92Å; T101-I105 HydrophobicContact CG2-CG1 4.42Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 2.75Å; C102-I105 PolarHBondContact O-N 3.36Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 2.94Å; I105-I109 HydrophobicContact CG2-CD1 3.69Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 WeakPolarHBondContact O-CD1 3.48Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 3.44Å
106Q93.9Very high95Very high112 Ų11246.1 Ų46.152%0.52326%0.261SS..Hα-helixtrans-60.6-45.6176-75.2169.6-19.200112.3C102 Q103 V104 L108 I109 A110C102-Q106 WeakPolarHBondContact O-CB 3.49Å; C102-Q106 VanDerWaalsContact O-CG 3.24Å; C102-Q106 WeakPolarHBondContact O-CG 3.37Å; C102-Q106 PolarHBondContact O-N 2.97Å; Q103-Q106 PolarHBondContact O-N 3.23Å; V104-Q106 VanDerWaalsContact C-N 3.34Å; V104-Q106 PolarHBondContact O-N 3.47Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.21Å; Q106-I109 PolarHBondContact O-N 3.48Å; Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.4Å
107C95.7Very high94.8Very high51 Ų5141.2 Ų41.235%0.34524%0.244SC..Hα-helixtrans-62-38.4174.9-71.80000112.1I89 Q103 V104 A110 L111I89-C107 HydrophobicContact CG2-CB 3.94Å; Q103-C107 PolarHBondContact O-N 2.67Å; Q103-C107 PolarHBondContact O-SG 3.47Å; Q103-C107 VanDerWaalsContact O-SG 3.41Å; V104-C107 PolarHBondContact O-N 2.98Å; C107-A110 PolarHBondContact O-N 3.36Å; C107-L111 PolarHBondContact O-N 2.98Å
108L96.2Very high94.8Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-64.9-45.2177-179.554.3000112.2I39 I53 I68 F70 V85 L87 V104 I105 Q106 A110 L111 V112I39-L108 HydrophobicContact CD1-CD2 3.49Å; I39-L108 VanDerWaalsContact CD1-CD2 3.49Å; I39-L108 HydrophobicContact CD1-CG 3.67Å; I53-L108 HydrophobicContact CD1-CD2 3.96Å; I53-L108 HydrophobicContact CG2-CD2 4.46Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å; F70-L108 HydrophobicContact CE2-CD1 3.78Å; F70-L108 HydrophobicContact CE2-CD2 4.26Å; F70-L108 HydrophobicContact CE2-CG 4.48Å; F70-L108 HydrophobicContact CZ-CD1 3.91Å; F70-L108 HydrophobicContact CZ-CD2 4.31Å; F70-L108 HydrophobicContact CZ-CG 4.32Å; V85-L108 HydrophobicContact CG1-CD1 4.28Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; L87-L108 HydrophobicContact CD1-CB 3.86Å; L87-L108 HydrophobicContact CD1-CD1 3.98Å; L87-L108 HydrophobicContact CD1-CG 4.34Å; L87-L108 HydrophobicContact CD2-CD1 4.37Å; L87-L108 HydrophobicContact CG-CD1 4.45Å; V104-L108 PolarHBondContact O-N 3.08Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 2.94Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.21Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 2.95Å; L108-L111 PolarHBondContact O-N 3.24Å; L108-V112 HydrophobicContact CD1-CG2 4.41Å; L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 3.11Å
109I94.2Very high94.6Very high12 Ų1246.7 Ų46.76%0.06225%0.251CS..Hα-helixtrans-62.2-42176.3-66.8153.9000110.6H21 I39 I105 Q106 L111 V112 N113H21-I109 HydrophobicContact CB-CD1 3.57Å; H21-I109 HydrophobicContact CB-CG1 4.19Å; H21-I109 HydrophobicContact CB-CG2 4.21Å; I39-I109 HydrophobicContact CG2-CG1 4.07Å; I105-I109 HydrophobicContact CG2-CD1 3.69Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 WeakPolarHBondContact O-CD1 3.48Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 3.44Å; Q106-I109 PolarHBondContact O-N 3.48Å; I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 2.9Å; I109-V112 PolarHBondContact O-N 2.85Å; I109-N113 PolarHBondContact O-N 2.95Å; I109-N113 PolarHBondContact O-ND2 3.22Å
110A94.3Very high94.6Very high55 Ų5548.1 Ų48.146%0.45526%0.261SS..Hα-helixtrans-60.1-42.2176.100000111.7Q106 C107 L108 N113 S114Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.4Å; C107-A110 PolarHBondContact O-N 3.36Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 2.95Å; A110-N113 PolarHBondContact O-N 2.8Å; A110-S114 WeakPolarHBondContact O-CB 3.47Å; A110-S114 PolarHBondContact O-N 3.44Å
111L95.4Very high94.7Very high11 Ų1146.8 Ų46.86%0.05826%0.258CS..Hα-helixtrans-63.7-42.7175.4-178.166.1000112.1H76 N78 V85 L87 C107 L108 I109 N113 S114 Q116H76-L111 PolarHBondContact CE1-O 3.41Å; H76-L111 PolarHBondContact NE2-O 2.8Å; H76-L111 VanDerWaalsContact NE2-O 3.11Å; N78-L111 HydrophobicContact CB-CD1 4.03Å; N78-L111 HydrophobicContact CB-CD2 3.94Å; N78-L111 HydrophobicContact CB-CG 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.64Å; L87-L111 HydrophobicContact CD2-CB 4.24Å; L87-L111 HydrophobicContact CD2-CD2 3.63Å; C107-L111 PolarHBondContact O-N 2.98Å; L108-L111 PolarHBondContact O-N 3.24Å; I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 2.9Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.28Å; L111-S114 CarbonylContact O-C 3.11Å; L111-S114 PolarHBondContact O-N 2.86Å; L111-Q116 HydrophobicContact CD1-CB 4.29Å; L111-Q116 HydrophobicContact CD1-CG 3.98Å
112V95.3Very high94.8Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-63.2-39.8177.8171.30000111.5P41 Y46 F70 I74 H76 I79 L108 I109P41-V112 HydrophobicContact CB-CG1 4.26Å; P41-V112 HydrophobicContact CG-CG1 3.81Å; Y46-V112 HydrophobicContact CD2-CG1 3.99Å; Y46-V112 WeakPolarHBondContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CE2-O 3.34Å; Y46-V112 HydrophobicContact CG-CG1 4.42Å; F70-V112 HydrophobicContact CE1-CG2 4.44Å; F70-V112 HydrophobicContact CZ-CG2 3.9Å; I74-V112 HydrophobicContact CD1-CG1 4.32Å; H76-V112 PolarHBondContact NE2-O 2.86Å; I79-V112 HydrophobicContact CD1-CG2 4.35Å; L108-V112 HydrophobicContact CD1-CG2 4.41Å; L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 3.11Å; I109-V112 PolarHBondContact O-N 2.85Å
113N92.1Very high95Very high45 Ų4550.2 Ų50.224%0.24128%0.28CS..Hα-helixtrans-75.3-31.5178.6-69.8-27.1000112.6I109 A110 L111I109-N113 PolarHBondContact O-N 2.95Å; I109-N113 PolarHBondContact O-ND2 3.22Å; A110-N113 PolarHBondContact O-N 2.8Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.28Å
114S92.3Very high95.1Very high80 Ų8050.4 Ų50.456%0.55928%0.284SS*.SBendtrans-129.586-176.3-65.10000110.8A110 L111A110-S114 WeakPolarHBondContact O-CB 3.47Å; A110-S114 PolarHBondContact O-N 3.44Å; L111-S114 CarbonylContact O-C 3.11Å; L111-S114 PolarHBondContact O-N 2.86Å
115P93.6Very high95.1Very high14 Ų1450.5 Ų50.59%0.09128%0.284CS..  trans-60.4143.9178.9-18.226.8000112.8P77 P117 Y129P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.46Å; P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.33Å; P115-Y129 HydrophobicContact CB-CE1 4.28Å; P115-Y129 HydrophobicContact CB-CE2 4.37Å; P115-Y129 HydrophobicContact CG-CE2 3.98Å
116Q95.2Very high95.2Very high76 Ų7650.7 Ų50.736%0.35529%0.286SS..  trans-107.787.9-178.8-71.4-176.9-3400110.7N78 L111 E118 H119N78-Q116 PolarHBondContact ND2-O 2.84Å; N78-Q116 PolarHBondContact OD1-N 2.92Å; L111-Q116 HydrophobicContact CD1-CB 4.29Å; L111-Q116 HydrophobicContact CD1-CG 3.98Å; Q116-E118 VanDerWaalsContact C-OE2 3.25Å; Q116-E118 WeakPolarHBondContact CA-OE2 3.25Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.48Å; Q116-E118 PolarHBondContact O-N 2.87Å; Q116-H119 PolarHBondContact O-N 3.28Å
117P94.3Very high95.4Very high40 Ų4050.4 Ų50.426%0.2629%0.285SS..THydrogen-bonded Turntrans-66.4-16.7-175.227.9-36.3000114.6P115 H119 P120 A126 Y129P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.33Å; P117-H119 VanDerWaalsContact C-N 3.33Å; P117-P120 WeakPolarHBondContact O-CD 3.42Å; P117-A126 HydrophobicContact CB-CB 4.18Å; P117-Y129 HydrophobicContact CB-CD1 4.11Å; P117-Y129 HydrophobicContact CG-CD1 4.07Å; P117-Y129 HydrophobicContact CG-CE1 4.18Å
118E94.4Very high95.5Very high111 Ų11149.4 Ų49.452%0.51928%0.275SS..THydrogen-bonded Turntrans-73.8-21.9177.367.7-79.9-173.900113.6Q116 P120Q116-E118 VanDerWaalsContact C-OE2 3.25Å; Q116-E118 WeakPolarHBondContact CA-OE2 3.25Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.48Å; Q116-E118 PolarHBondContact O-N 2.87Å; E118-P120 VanDerWaalsContact C-CD 3.49Å
119H93.3Very high95.6Very high138 Ų13850.8 Ų50.864%0.63928%0.28SS*.SBendtrans-131.359.6179.4-59.2-43.3000111.7N78 Q116 P117N78-H119 PolarHBondContact ND2-O 3.39Å; Q116-H119 PolarHBondContact O-N 3.28Å; P117-H119 VanDerWaalsContact C-N 3.33Å
120P96Very high95.7Very high46 Ų4654.7 Ų54.730%0.29931%0.305SS..  trans-85.3148.8-173.236.8-33.7000111.8P77 P117 E118 A126P77-P120 HydrophobicContact CB-CB 4.4Å; P117-P120 WeakPolarHBondContact O-CD 3.42Å; E118-P120 VanDerWaalsContact C-CD 3.49Å; P120-A126 HydrophobicContact CB-CB 3.49Å; P120-A126 VanDerWaalsContact CB-CB 3.49Å; P120-A126 HydrophobicContact CG-CB 3.75Å
121L96.8Very high95.8Very high71 Ų7159.6 Ų59.637%0.37232%0.316SS..SBendtrans-86.5-22.9161.9-68-177.5000111.4P77 N78 D80 Q84P77-L121 PolarHBondContact O-N 3.02Å; N78-L121 WeakPolarHBondContact O-CD1 3.26Å; D80-L121 HydrophobicContact CB-CB 4.32Å; D80-L121 HydrophobicContact CB-CD1 4.37Å; Q84-L121 WeakPolarHBondContact O-CD1 3.35Å
122R97.6Very high95.9Very high40 Ų4062.4 Ų62.415%0.15133%0.331CS..  trans-122.692.2178.4-71.9-165.860.7175.7-2.5110.2P77 I79 D124 L125 A126P77-R122 PolarHBondContact O-N 3.28Å; I79-R122 WeakPolarHBondContact O-CD 3.33Å; R122-D124 VanDerWaalsContact C-N 3.29Å; R122-D124 VanDerWaalsContact C-OD1 3.31Å; R122-D124 WeakPolarHBondContact CB-OD1 3.42Å; R122-D124 IonicContact CZ-OD2 3.56Å; R122-D124 IonicContact NE-OD1 3.68Å; R122-D124 IonicContact NE-OD2 2.74Å; R122-D124 IonicContact NH2-OD2 2.75Å; R122-D124 PolarHBondContact NH2-OD2 3.01Å; R122-D124 PolarHBondContact O-N 2.91Å; R122-L125 HydrophobicContact CB-CB 4.13Å; R122-L125 HydrophobicContact CB-CD1 4.27Å; R122-L125 HydrophobicContact CB-CG 4Å; R122-L125 VanDerWaalsContact CZ-CD1 3.44Å; R122-L125 PolarHBondContact O-N 3.47Å; R122-A126 PolarHBondContact O-N 3.25Å; R122-A126 VanDerWaalsContact O-N 3.07Å
123A97.3Very high95.9Very high68 Ų6868 Ų6856%0.56235%0.352SS*.Hα-helixtrans-63.6-34.5-175.600000112.8L125 A126 E127A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.37Å; A123-A126 PolarHBondContact O-N 3.18Å; A123-E127 WeakPolarHBondContact O-CB 3.36Å; A123-E127 PolarHBondContact O-N 3.45Å
124D96.8Very high96.2Very high87 Ų8769.5 Ų69.547%0.46537%0.371SS..Hα-helixtrans-55.6-47.5172.959.9-41.8000111.8R122 E128R122-D124 VanDerWaalsContact C-N 3.29Å; R122-D124 VanDerWaalsContact C-OD1 3.31Å; R122-D124 WeakPolarHBondContact CB-OD1 3.42Å; R122-D124 IonicContact CZ-OD2 3.56Å; R122-D124 IonicContact NE-OD1 3.68Å; R122-D124 IonicContact NE-OD2 2.74Å; R122-D124 IonicContact NH2-OD2 2.75Å; R122-D124 PolarHBondContact NH2-OD2 3.01Å; R122-D124 PolarHBondContact O-N 2.91Å; D124-E128 PolarHBondContact O-N 3.44Å
125L97.8Very high96.5Very high3 Ų370.5 Ų70.52%0.01637%0.365CS..Hα-helixtrans-72.7-35179.8-62.3-162000112.5Y75 P77 R122 A123 E128 Y129 F136Y75-L125 HydrophobicContact CD1-CD1 4.07Å; Y75-L125 HydrophobicContact CD1-CD2 4.35Å; Y75-L125 HydrophobicContact CD2-CD1 4.17Å; Y75-L125 HydrophobicContact CD2-CD2 4.24Å; Y75-L125 HydrophobicContact CE1-CD1 4.19Å; Y75-L125 HydrophobicContact CE1-CD2 3.65Å; Y75-L125 HydrophobicContact CE1-CG 4.46Å; Y75-L125 HydrophobicContact CE2-CD1 4.26Å; Y75-L125 HydrophobicContact CE2-CD2 3.5Å; Y75-L125 HydrophobicContact CG-CD1 4.09Å; Y75-L125 VanDerWaalsContact OH-CD2 3.24Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.24Å; P77-L125 HydrophobicContact CB-CB 4.07Å; R122-L125 HydrophobicContact CB-CB 4.13Å; R122-L125 HydrophobicContact CB-CD1 4.27Å; R122-L125 HydrophobicContact CB-CG 4Å; R122-L125 VanDerWaalsContact CZ-CD1 3.44Å; R122-L125 PolarHBondContact O-N 3.47Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.37Å; L125-E128 PolarHBondContact O-N 2.93Å; L125-Y129 WeakPolarHBondContact O-CB 3.43Å; L125-Y129 PolarHBondContact O-N 3.49Å; L125-F136 HydrophobicContact CB-CE2 4.37Å
126A97.5Very high96.7Very high5 Ų569.8 Ų69.84%0.04136%0.361CS..Hα-helixtrans-67.5-39.9177.100000111.7P77 P117 P120 R122 A123 Y129 T130P77-A126 HydrophobicContact CB-CB 3.98Å; P117-A126 HydrophobicContact CB-CB 4.18Å; P120-A126 HydrophobicContact CB-CB 3.49Å; P120-A126 VanDerWaalsContact CB-CB 3.49Å; P120-A126 HydrophobicContact CG-CB 3.75Å; R122-A126 PolarHBondContact O-N 3.25Å; R122-A126 VanDerWaalsContact O-N 3.07Å; A123-A126 PolarHBondContact O-N 3.18Å; A126-Y129 PolarHBondContact O-N 3.49Å; A126-T130 WeakPolarHBondContact O-CB 3.24Å; A126-T130 PolarHBondContact O-N 2.91Å; A126-T130 PolarHBondContact O-OG1 3.44Å
127E97.8Very high96.8Very high105 Ų10569 Ų6949%0.49136%0.358SS..Hα-helixtrans-63.5-47.5173.2-176.4175.3-175.500110.9A123 Y129 T130 K131A123-E127 WeakPolarHBondContact O-CB 3.36Å; A123-E127 PolarHBondContact O-N 3.45Å; E127-Y129 PolarHBondContact O-N 2.86Å; E127-T130 PolarHBondContact O-N 3.27Å; E127-K131 HydrophobicContact CG-CD 3.75Å; E127-K131 HydrophobicContact CG-CG 4.25Å; E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 2.96Å; E127-K131 WeakPolarHBondContact OE1-CE 3.45Å; E127-K131 IonicContact OE1-NZ 3.78Å; E127-K131 PolarHBondContact OE1-NZ 3.47Å
128E97.8Very high97Very high31 Ų3172.9 Ų72.915%0.14537%0.371CS..Hα-helixtrans-59.1-46.5175.2-172.7170.5100.200111.3Y75 D124 L125 T130 K131 D132 K135 F136 N139Y75-E128 PolarHBondContact OH-OE1 2.99Å; D124-E128 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 2.93Å; E128-T130 PolarHBondContact O-N 2.95Å; E128-K131 PolarHBondContact O-N 3.43Å; E128-D132 CarbonylContact O-C 3.57Å; E128-D132 WeakPolarHBondContact O-CA 3.48Å; E128-D132 PolarHBondContact O-N 3Å; E128-K135 HydrophobicContact CG-CD 4.35Å; E128-K135 HydrophobicContact CG-CG 4.5Å; E128-K135 VanDerWaalsContact OE2-CE 3.27Å; E128-K135 WeakPolarHBondContact OE2-CE 3.21Å; E128-K135 IonicContact OE2-NZ 3.55Å; E128-K135 PolarHBondContact OE2-NZ 2.92Å; E128-F136 HydrophobicContact CG-CB 4.13Å; E128-N139 PolarHBondContact OE1-ND2 3.06Å
129Y97.1Very high97.1Very high28 Ų2869.8 Ų69.811%0.1136%0.358CS..Hα-helixtrans-59.5-33177.3-178.9-104.8000113.4P115 P117 L125 A126 E127 R133 F136P115-Y129 HydrophobicContact CB-CE1 4.28Å; P115-Y129 HydrophobicContact CB-CE2 4.37Å; P115-Y129 HydrophobicContact CG-CE2 3.98Å; P117-Y129 HydrophobicContact CB-CD1 4.11Å; P117-Y129 HydrophobicContact CG-CD1 4.07Å; P117-Y129 HydrophobicContact CG-CE1 4.18Å; L125-Y129 WeakPolarHBondContact O-CB 3.43Å; L125-Y129 PolarHBondContact O-N 3.49Å; A126-Y129 PolarHBondContact O-N 3.49Å; E127-Y129 PolarHBondContact O-N 2.86Å; Y129-R133 VanDerWaalsContact CD2-NE 3.28Å; Y129-R133 VanDerWaalsContact CE1-CZ 3.44Å; Y129-R133 PolarHBondContact O-NE 3.34Å; Y129-R133 PolarHBondContact O-NH2 3.29Å; Y129-R133 PolarHBondContact OH-NH1 3.36Å; Y129-F136 AromaticContact CD2-CD1 3.51Å; Y129-F136 HydrophobicContact CD2-CD1 3.51Å; Y129-F136 HydrophobicContact CD2-CD2 4.24Å; Y129-F136 AromaticContact CD2-CE1 3.62Å; Y129-F136 HydrophobicContact CD2-CE1 3.62Å; Y129-F136 HydrophobicContact CD2-CE2 4.34Å; Y129-F136 AromaticContact CD2-CG 3.84Å; Y129-F136 HydrophobicContact CD2-CG 3.84Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.22Å; Y129-F136 HydrophobicContact CE2-CE1 4.12Å; Y129-F136 HydrophobicContact CG-CG 4.47Å
130T96.8Very high97.4Very high94 Ų9463.2 Ų63.258%0.57733%0.327SS*.Hα-helixtrans-86.8-41-177.4-540000112A126 E127 E128A126-T130 WeakPolarHBondContact O-CB 3.24Å; A126-T130 PolarHBondContact O-N 2.91Å; A126-T130 PolarHBondContact O-OG1 3.44Å; E127-T130 PolarHBondContact O-N 3.27Å; E128-T130 PolarHBondContact O-N 2.95Å
131K97.3Very high97.4Very high158 Ų15864.4 Ų64.469%0.68733%0.329SS*.Hα-helixtrans-87.8-35.7-175.6-67.1-172.9178.41780113.5E127 E128E127-K131 HydrophobicContact CG-CD 3.75Å; E127-K131 HydrophobicContact CG-CG 4.25Å; E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 2.96Å; E127-K131 WeakPolarHBondContact OE1-CE 3.45Å; E127-K131 IonicContact OE1-NZ 3.78Å; E127-K131 PolarHBondContact OE1-NZ 3.47Å; E128-K131 PolarHBondContact O-N 3.43Å
132D97.1Very high97.5Very high71 Ų7165.9 Ų65.938%0.3833%0.334SS..  trans-142.477.8-177.4-170.2-14.8000110.9E128 A134 K135 F136E128-D132 CarbonylContact O-C 3.57Å; E128-D132 WeakPolarHBondContact O-CA 3.48Å; E128-D132 PolarHBondContact O-N 3Å; D132-A134 PolarHBondContact O-N 3.05Å; D132-A134 PolarHBondContact OD1-N 3.42Å; D132-K135 HydrophobicContact CB-CB 4.06Å; D132-K135 PolarHBondContact O-N 3.44Å; D132-K135 WeakPolarHBondContact OD1-CB 3.49Å; D132-K135 PolarHBondContact OD1-N 3.36Å; D132-K135 VanDerWaalsContact OD2-CB 3.26Å; D132-K135 WeakPolarHBondContact OD2-CB 3.45Å; D132-F136 PolarHBondContact O-N 2.95Å
133R96Very high97.5Very high117 Ų11766.4 Ų66.444%0.44234%0.337SS..Hα-helixtrans-57.6-37.6179.7-173.961.760.992.55.1112.2Y129 F136 M137Y129-R133 VanDerWaalsContact CD2-NE 3.28Å; Y129-R133 VanDerWaalsContact CE1-CZ 3.44Å; Y129-R133 PolarHBondContact O-NE 3.34Å; Y129-R133 PolarHBondContact O-NH2 3.29Å; Y129-R133 PolarHBondContact OH-NH1 3.36Å; R133-F136 PolarHBondContact O-N 3.31Å; R133-M137 HydrophobicContact CG-CG 4.14Å; R133-M137 WeakPolarHBondContact O-CB 3.29Å; R133-M137 WeakPolarHBondContact O-CG 3.32Å; R133-M137 PolarHBondContact O-N 3.17Å
134A97.8Very high97.5Very high76 Ų7663.2 Ų63.263%0.62831%0.311SS*.Hα-helixtrans-65.5-45.2-177.300000111.1D132 M137 K138D132-A134 PolarHBondContact O-N 3.05Å; D132-A134 PolarHBondContact OD1-N 3.42Å; A134-M137 PolarHBondContact O-N 3.27Å; A134-K138 PolarHBondContact O-N 3.41Å; A134-K138 VanDerWaalsContact O-N 3.08Å
135K97.9Very high97.5Very high101 Ų10165.4 Ų65.444%0.43932%0.316SS..Hα-helixtrans-61.9-46.1174.1-176.7-175.4179.2-138.90111.8E128 D132 M137 K138 N139E128-K135 HydrophobicContact CG-CD 4.35Å; E128-K135 HydrophobicContact CG-CG 4.5Å; E128-K135 VanDerWaalsContact OE2-CE 3.27Å; E128-K135 WeakPolarHBondContact OE2-CE 3.21Å; E128-K135 IonicContact OE2-NZ 3.55Å; E128-K135 PolarHBondContact OE2-NZ 2.92Å; D132-K135 HydrophobicContact CB-CB 4.06Å; D132-K135 PolarHBondContact O-N 3.44Å; D132-K135 WeakPolarHBondContact OD1-CB 3.49Å; D132-K135 PolarHBondContact OD1-N 3.36Å; D132-K135 VanDerWaalsContact OD2-CB 3.26Å; D132-K135 WeakPolarHBondContact OD2-CB 3.45Å; K135-M137 PolarHBondContact O-N 2.96Å; K135-K138 PolarHBondContact O-N 2.96Å; K135-N139 WeakPolarHBondContact O-CB 3.44Å; K135-N139 VanDerWaalsContact O-CG 3.26Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 3.39Å
136F98.1Very high97.4Very high0 Ų073 Ų730%035%0.349CS..Hα-helixtrans-55.4-50.8176177.3-87.7000111.6P45 Y75 L125 E128 Y129 D132 R133 K138 N139 A140P45-F136 HydrophobicContact CG-CE1 4.26Å; Y75-F136 HydrophobicContact CD1-CD2 4.3Å; Y75-F136 AromaticContact CD1-CE2 3.85Å; Y75-F136 HydrophobicContact CD1-CE2 3.85Å; Y75-F136 HydrophobicContact CD1-CZ 4.26Å; Y75-F136 AromaticContact CE1-CD2 3.77Å; Y75-F136 HydrophobicContact CE1-CD2 3.77Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; L125-F136 HydrophobicContact CB-CE2 4.37Å; E128-F136 HydrophobicContact CG-CB 4.13Å; Y129-F136 AromaticContact CD2-CD1 3.51Å; Y129-F136 HydrophobicContact CD2-CD1 3.51Å; Y129-F136 HydrophobicContact CD2-CD2 4.24Å; Y129-F136 AromaticContact CD2-CE1 3.62Å; Y129-F136 HydrophobicContact CD2-CE1 3.62Å; Y129-F136 HydrophobicContact CD2-CE2 4.34Å; Y129-F136 AromaticContact CD2-CG 3.84Å; Y129-F136 HydrophobicContact CD2-CG 3.84Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.22Å; Y129-F136 HydrophobicContact CE2-CE1 4.12Å; Y129-F136 HydrophobicContact CG-CG 4.47Å; D132-F136 PolarHBondContact O-N 2.95Å; R133-F136 PolarHBondContact O-N 3.31Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 2.96Å; F136-N139 PolarHBondContact O-N 3.15Å; F136-A140 HydrophobicContact CD1-CB 4.42Å; F136-A140 HydrophobicContact CE1-CB 4.08Å; F136-A140 HydrophobicContact CZ-CB 4.37Å; F136-A140 VanDerWaalsContact O-CB 3.24Å; F136-A140 WeakPolarHBondContact O-CB 3.38Å; F136-A140 PolarHBondContact O-N 3.2Å
137M97.3Very high97.4Very high59 Ų5976 Ų7629%0.29136%0.362SS..Hα-helixtrans-61.1-43-176.9-68.6-66.1-70.700111.3P44 P45 R133 A134 K135 E141P44-M137 HydrophobicContact CB-CE 3.86Å; P45-M137 HydrophobicContact CB-CE 3.99Å; P45-M137 HydrophobicContact CB-SD 4.12Å; P45-M137 HydrophobicContact CG-CE 4.21Å; P45-M137 HydrophobicContact CG-SD 3.87Å; R133-M137 HydrophobicContact CG-CG 4.14Å; R133-M137 WeakPolarHBondContact O-CB 3.29Å; R133-M137 WeakPolarHBondContact O-CG 3.32Å; R133-M137 PolarHBondContact O-N 3.17Å; A134-M137 PolarHBondContact O-N 3.27Å; K135-M137 PolarHBondContact O-N 2.96Å; M137-E141 VanDerWaalsContact O-CB 3.31Å; M137-E141 WeakPolarHBondContact O-CB 3.48Å; M137-E141 PolarHBondContact O-N 3.2Å
138K98.1Very high97.2Very high122 Ų12272.2 Ų72.253%0.5335%0.347SS..Hα-helixtrans-61.4-50.5175.9-177.8-176.7174.1-176.50111.7A134 K135 F136 A140 E141 E142A134-K138 PolarHBondContact O-N 3.41Å; A134-K138 VanDerWaalsContact O-N 3.08Å; K135-K138 PolarHBondContact O-N 2.96Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 2.96Å; K138-A140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 3.33Å; K138-E142 WeakPolarHBondContact CE-OE1 3.41Å; K138-E142 WeakPolarHBondContact O-CG 3.23Å; K138-E142 PolarHBondContact O-N 2.73Å
139N98Very high97.1Very high46 Ų4673.6 Ų73.625%0.24635%0.354CS..Hα-helixtrans-61.3-44.7-179.8-71.3-15.7000111.5Y75 E128 K135 F136 E141 E142 F143Y75-N139 HydrophobicContact CE1-CB 3.96Å; E128-N139 PolarHBondContact OE1-ND2 3.06Å; K135-N139 WeakPolarHBondContact O-CB 3.44Å; K135-N139 VanDerWaalsContact O-CG 3.26Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 3.39Å; F136-N139 PolarHBondContact O-N 3.15Å; N139-E141 PolarHBondContact O-N 3.12Å; N139-E142 PolarHBondContact O-N 2.69Å; N139-F143 VanDerWaalsContact O-CB 3.23Å; N139-F143 WeakPolarHBondContact O-CB 3.1Å; N139-F143 PolarHBondContact O-N 2.75Å
140A97.9Very high96.9Very high0 Ų081.5 Ų81.50%039%0.389CS..Hα-helixtrans-64.9-38178.900000112.3P45 Y46 Y75 F136 K138 T144P45-A140 HydrophobicContact CB-CB 3.64Å; P45-A140 HydrophobicContact CG-CB 3.37Å; Y46-A140 HydrophobicContact CE1-CB 4.18Å; Y75-A140 HydrophobicContact CD1-CB 3.79Å; Y75-A140 HydrophobicContact CG-CB 4.49Å; F136-A140 HydrophobicContact CD1-CB 4.42Å; F136-A140 HydrophobicContact CE1-CB 4.08Å; F136-A140 HydrophobicContact CZ-CB 4.37Å; F136-A140 VanDerWaalsContact O-CB 3.24Å; F136-A140 WeakPolarHBondContact O-CB 3.38Å; F136-A140 PolarHBondContact O-N 3.2Å; K138-A140 PolarHBondContact O-N 3.35Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.23Å; A140-T144 PolarHBondContact O-N 3.5Å; A140-T144 PolarHBondContact O-OG1 2.83Å
141E97.6Very high96.7Very high71 Ų7180.7 Ų80.733%0.33238%0.375SS..Hα-helixtrans-67.4-47.2176.1-172.5-173.4163.800111.2P45 M137 K138 N139 F143 T144 K145P45-E141 HydrophobicContact CB-CB 4.34Å; M137-E141 VanDerWaalsContact O-CB 3.31Å; M137-E141 WeakPolarHBondContact O-CB 3.48Å; M137-E141 PolarHBondContact O-N 3.2Å; K138-E141 PolarHBondContact O-N 3.33Å; N139-E141 PolarHBondContact O-N 3.12Å; E141-F143 VanDerWaalsContact C-N 3.33Å; E141-F143 PolarHBondContact O-N 3.33Å; E141-T144 PolarHBondContact O-N 3.32Å; E141-K145 WeakPolarHBondContact O-CG 3.34Å; E141-K145 PolarHBondContact O-N 2.91Å; E141-K145 WeakPolarHBondContact OE1-CE 3.44Å; E141-K145 IonicContact OE1-NZ 2.66Å; E141-K145 PolarHBondContact OE1-NZ 3.44Å
142E97.8Very high96.2Very high102 Ų10274.9 Ų74.948%0.47735%0.353SS..Hα-helixtrans-60.9-42.9176.1-73.1179.2-169.900111.4K138 N139 K145 K146K138-E142 WeakPolarHBondContact CE-OE1 3.41Å; K138-E142 WeakPolarHBondContact O-CG 3.23Å; K138-E142 PolarHBondContact O-N 2.73Å; N139-E142 PolarHBondContact O-N 2.69Å; E142-K145 PolarHBondContact O-N 3.45Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 2.78Å; E142-K146 VanDerWaalsContact O-N 3.1Å
143F98Very high95.2Very high50 Ų5078.2 Ų78.222%0.21938%0.376CS..Hα-helixtrans-63.6-43.2176.3-164.7-83.5000111.6K73 Y75 N139 E141 K146 H147K73-F143 HydrophobicContact CB-CE1 3.8Å; K73-F143 HydrophobicContact CB-CZ 3.94Å; Y75-F143 HydrophobicContact CD2-CD2 4.19Å; Y75-F143 HydrophobicContact CD2-CG 4.35Å; Y75-F143 HydrophobicContact CG-CB 4.42Å; Y75-F143 HydrophobicContact CG-CG 4.46Å; N139-F143 VanDerWaalsContact O-CB 3.23Å; N139-F143 WeakPolarHBondContact O-CB 3.1Å; N139-F143 PolarHBondContact O-N 2.75Å; E141-F143 VanDerWaalsContact C-N 3.33Å; E141-F143 PolarHBondContact O-N 3.33Å; F143-K146 PolarHBondContact O-N 3.44Å; F143-H147 HydrophobicContact CD1-CB 4.22Å; F143-H147 AromaticContact CD1-CD2 3.77Å; F143-H147 AromaticContact CD2-CD2 3.68Å; F143-H147 HydrophobicContact CE1-CB 3.93Å; F143-H147 AromaticContact CE1-CD2 3.59Å; F143-H147 AromaticContact CE1-CG 3.95Å; F143-H147 AromaticContact CE2-CD2 3.5Å; F143-H147 VanDerWaalsContact CE2-CD2 3.5Å; F143-H147 WeakPolarHBondContact CE2-CD2 3.33Å; F143-H147 AromaticContact CE2-NE2 3.82Å; F143-H147 AromaticContact CG-CD2 3.82Å; F143-H147 HydrophobicContact CZ-CB 4.48Å; F143-H147 AromaticContact CZ-CD2 3.45Å; F143-H147 VanDerWaalsContact CZ-CD2 3.45Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.26Å; F143-H147 WeakPolarHBondContact O-CB 3.2Å; F143-H147 PolarHBondContact O-N 3.16Å
144T97.4Very high93.5Very high1 Ų181.8 Ų81.81%0.00640%0.404CS..Hα-helixtrans-59.2-49.3175.6-63.70000110.3F51 A140 E141 K146 H147 S148F51-T144 HydrophobicContact CE2-CG2 4.49Å; F51-T144 HydrophobicContact CZ-CG2 3.89Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.23Å; A140-T144 PolarHBondContact O-N 3.5Å; A140-T144 PolarHBondContact O-OG1 2.83Å; E141-T144 PolarHBondContact O-N 3.32Å; T144-K146 PolarHBondContact O-N 2.77Å; T144-H147 PolarHBondContact O-N 3.46Å; T144-S148 WeakPolarHBondContact O-CB 3.5Å; T144-S148 PolarHBondContact O-N 3.11Å; T144-S148 PolarHBondContact O-OG 3.16Å
145K95.8Very high93.3Very high133 Ų13382.1 Ų82.158%0.57839%0.393SS*.Hα-helixtrans-57.9-34.6177.8-73.3172.6-175.9166.40113E141 E142E141-K145 WeakPolarHBondContact O-CG 3.34Å; E141-K145 PolarHBondContact O-N 2.91Å; E141-K145 WeakPolarHBondContact OE1-CE 3.44Å; E141-K145 IonicContact OE1-NZ 2.66Å; E141-K145 PolarHBondContact OE1-NZ 3.44Å; E142-K145 PolarHBondContact O-N 3.45Å
146K97.1Very high93.1Very high163 Ų16381.1 Ų81.171%0.70939%0.39SS*.Hα-helixtrans-82.7-36.1-176.7-173.5174.9177.4-179.30114E142 F143 T144E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 2.78Å; E142-K146 VanDerWaalsContact O-N 3.1Å; F143-K146 PolarHBondContact O-N 3.44Å; T144-K146 PolarHBondContact O-N 2.77Å
147H96.2Very high92.8Very high67 Ų6785.6 Ų85.631%0.3141%0.412SS..Hα-helixtrans-119.1-18.2-166.3-66.1-65.1000115.1T72 K73 F143 T144T72-H147 VanDerWaalsContact CG2-O 3.27Å; T72-H147 WeakPolarHBondContact CG2-O 3.39Å; K73-H147 HydrophobicContact CB-CB 4.35Å; F143-H147 HydrophobicContact CD1-CB 4.22Å; F143-H147 AromaticContact CD1-CD2 3.77Å; F143-H147 AromaticContact CD2-CD2 3.68Å; F143-H147 HydrophobicContact CE1-CB 3.93Å; F143-H147 AromaticContact CE1-CD2 3.59Å; F143-H147 AromaticContact CE1-CG 3.95Å; F143-H147 AromaticContact CE2-CD2 3.5Å; F143-H147 VanDerWaalsContact CE2-CD2 3.5Å; F143-H147 WeakPolarHBondContact CE2-CD2 3.33Å; F143-H147 AromaticContact CE2-NE2 3.82Å; F143-H147 AromaticContact CG-CD2 3.82Å; F143-H147 HydrophobicContact CZ-CB 4.48Å; F143-H147 AromaticContact CZ-CD2 3.45Å; F143-H147 VanDerWaalsContact CZ-CD2 3.45Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.26Å; F143-H147 WeakPolarHBondContact O-CB 3.2Å; F143-H147 PolarHBondContact O-N 3.16Å; T144-H147 PolarHBondContact O-N 3.46Å
148S95.2Very high92.5Very high27 Ų2787.2 Ų87.219%0.18942%0.419CS..SBendtrans-71.3160.7-179.571.20000112.2G49 T144G49-S148 WeakPolarHBondContact CA-OG 3.46Å; T144-S148 WeakPolarHBondContact O-CB 3.5Å; T144-S148 PolarHBondContact O-N 3.11Å; T144-S148 PolarHBondContact O-OG 3.16Å
149E95.1Very high92.2Very high59 Ų5985 Ų8528%0.27641%0.412SS..BIsolated β-bridgetrans-78156.6168.6-65.4-165.2-150.700110.9L38 A50 R52 T72 R151L38-E149 HydrophobicContact CD2-CB 4.17Å; L38-E149 HydrophobicContact CD2-CG 4.36Å; L38-E149 WeakPolarHBondContact CD2-OE2 3.49Å; A50-E149 HydrophobicContact CB-CB 4.47Å; A50-E149 PolarHBondContact N-O 3.04Å; A50-E149 PolarHBondContact O-N 2.73Å; R52-E149 WeakPolarHBondContact CB-OE1 3.12Å; R52-E149 IonicContact CZ-OE1 3.77Å; R52-E149 IonicContact CZ-OE2 3.74Å; R52-E149 IonicContact NE-OE1 3.62Å; R52-E149 PolarHBondContact NE-OE1 2.61Å; R52-E149 IonicContact NE-OE2 2.84Å; R52-E149 IonicContact NH2-OE1 3.52Å; R52-E149 IonicContact NH2-OE2 2.73Å; R52-E149 PolarHBondContact NH2-OE2 3.23Å; T72-E149 HydrophobicContact CG2-CG 4.46Å; T72-E149 PolarHBondContact OG1-OE1 2.89Å; E149-R151 PolarHBondContact O-N 3.11Å
150K92.8Very high91.8Very high195 Ų19587.6 Ų87.685%0.84842%0.423SS*.PPolyproline II helixtrans-61.6132.7172.3-67.6-175.9-180-179.90109
151R92.1Very high91.4Very high77 Ų7793.9 Ų93.929%0.29145%0.453SS..PPolyproline II helixtrans-59.5135.2171.5-64.9178.573.893.2-16.4108.9P41 D42 D47 G49 A50 E149 V153P41-R151 VanDerWaalsContact O-CZ 3.28Å; P41-R151 PolarHBondContact O-NH1 2.67Å; P41-R151 PolarHBondContact O-NH2 2.98Å; D42-R151 IonicContact OD1-NH2 3.53Å; D47-R151 WeakPolarHBondContact O-CD 3.28Å; D47-R151 PolarHBondContact O-NE 3.26Å; D47-R151 PolarHBondContact O-NH1 3.49Å; G49-R151 WeakPolarHBondContact O-CG 3.34Å; G49-R151 PolarHBondContact O-NH1 2.87Å; A50-R151 HydrophobicContact CB-CG 4.39Å; E149-R151 PolarHBondContact O-N 3.11Å; R151-V153 PolarHBondContact O-N 3.13Å
152P86.9Confident90.9Very high36 Ų3695.6 Ų95.623%0.23446%0.463CS..PPolyproline II helixtrans-56.1127.6170-21.632.5000109.2R23 L38 V40R23-P152 HydrophobicContact CB-CG 4Å; L38-P152 HydrophobicContact CD1-CG 4.09Å; V40-P152 HydrophobicContact CG2-CG 4.47Å
153V75.8Confident90.3Very high140 Ų14095.1 Ų95.185%0.84846%0.462SS*.PPolyproline II helixtrans-77.1123.5163-78.10000106.1R151R151-V153 PolarHBondContact O-N 3.13Å
154D61.5Low89.6Confident193 Ų19399.2 Ų99.2100%1.03248%0.484SS*.  trans-57.70175.4-72.4-33.6000111.6R23R23-D154 IonicContact CZ-OD1 3.26Å; R23-D154 IonicContact NE-OD1 3.91Å; R23-D154 IonicContact NH2-OD1 3.4Å; R23-D154 PolarHBondContact NH2-OD1 3.35Å

Retrieved 154 of 154 residues in 90.3 ms (Link to these results)

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