A0A061I4L2_CRIGR Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (P68037), UniProt , Accession A0A061I4L2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ube2l3, 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
1M71.1Confident90.9Very high189 Ų18972 Ų7293%0.93136%0.357SS*.  0-33.40-79.5-150.4-89.200114.8
2A88Confident91.1Very high70 Ų7076 Ų7658%0.57937%0.374SS*.Hα-helixtrans-70.3-47.7179.500000113.7S4 R5 R6A2-S4 PolarHBondContact O-N 2.97Å; A2-R5 PolarHBondContact O-N 2.83Å; A2-R6 PolarHBondContact O-N 3.47Å
3A90.8Very high91.3Very high7 Ų777.2 Ų77.26%0.05838%0.378CS..Hα-helixtrans-55.7-51.3178.700000112.3R5 R6 L7 L33 Y61A3-R5 VanDerWaalsContact C-N 3.35Å; A3-R5 PolarHBondContact O-N 3.36Å; A3-R6 PolarHBondContact O-N 2.86Å; A3-R6 VanDerWaalsContact O-N 3.1Å; A3-L7 WeakPolarHBondContact O-CG 3.4Å; A3-L7 PolarHBondContact O-N 3.19Å; A3-L33 HydrophobicContact CB-CD2 4.27Å; A3-Y61 WeakPolarHBondContact CA-O 3.37Å; A3-Y61 WeakPolarHBondContact CB-O 3.47Å
4S90.4Very high91.4Very high48 Ų4872.1 Ų72.134%0.33635%0.353SS..Hα-helixtrans-58.4-41.2-177.8-430000113A2 R6 L7 M8 L32A2-S4 PolarHBondContact O-N 2.97Å; S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 3.16Å; S4-L7 PolarHBondContact O-N 2.99Å; S4-M8 WeakPolarHBondContact O-CB 3.5Å; S4-M8 PolarHBondContact O-N 2.85Å; S4-L32 WeakPolarHBondContact O-CD1 3.35Å
5R91.9Very high91.4Very high154 Ų15476.7 Ų76.758%0.58137%0.365SS*.Hα-helixtrans-64.8-37.2177.5-75.1-169-64.6-100.74.4112.6A2 A3A2-R5 PolarHBondContact O-N 2.83Å; A3-R5 VanDerWaalsContact C-N 3.35Å; A3-R5 PolarHBondContact O-N 3.36Å
6R94.4Very high91.4Very high63 Ų6383.8 Ų83.824%0.23839%0.394CS..Hα-helixtrans-69.2-48.1175.6174.2175.1170.4156.4-13110.8A2 A3 S4 M8 K9 E10 Y61 P97 T99A2-R6 PolarHBondContact O-N 3.47Å; A3-R6 PolarHBondContact O-N 2.86Å; A3-R6 VanDerWaalsContact O-N 3.1Å; S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 3.16Å; R6-M8 VanDerWaalsContact C-N 3.32Å; R6-M8 PolarHBondContact O-N 3.28Å; R6-K9 PolarHBondContact O-N 2.9Å; R6-K9 VanDerWaalsContact O-N 3.15Å; R6-E10 HydrophobicContact CG-CG 4.41Å; R6-E10 VanDerWaalsContact CG-OE1 3.28Å; R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 IonicContact CZ-OE1 3.99Å; R6-E10 IonicContact NE-OE1 3.54Å; R6-E10 PolarHBondContact NE-OE1 3.49Å; R6-E10 IonicContact NH2-OE1 3.35Å; R6-E10 PolarHBondContact O-N 3.26Å; R6-Y61 HydrophobicContact CG-CE1 4.14Å; R6-Y61 PolarHBondContact NH2-OH 3Å; R6-P97 PolarHBondContact NH1-O 3.23Å; R6-P97 PolarHBondContact NH2-O 2.91Å; R6-T99 PolarHBondContact NH2-O 3.29Å
7L95.4Very high91.2Very high0 Ų084.7 Ų84.70%041%0.41CS..Hα-helixtrans-61.7-38.6-179.2-71.6169.8000112.4A3 S4 K9 E10 L11 L32 L33 W35 F57 Y61A3-L7 WeakPolarHBondContact O-CG 3.4Å; A3-L7 PolarHBondContact O-N 3.19Å; S4-L7 PolarHBondContact O-N 2.99Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.04Å; L7-E10 PolarHBondContact O-N 3.45Å; L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.36Å; L7-L32 HydrophobicContact CB-CB 4.48Å; L7-L32 WeakPolarHBondContact CD1-O 3.47Å; L7-L33 HydrophobicContact CD1-CD2 3.65Å; L7-W35 HydrophobicContact CB-CZ2 3.99Å; L7-W35 HydrophobicContact CD2-CZ2 3.91Å; L7-W35 WeakPolarHBondContact O-CZ2 3.25Å; L7-F57 HydrophobicContact CD1-CB 3.9Å; L7-F57 HydrophobicContact CD1-CD1 4.33Å; L7-F57 HydrophobicContact CD1-CD2 4.1Å; L7-F57 HydrophobicContact CD1-CG 3.85Å; L7-F57 HydrophobicContact CD2-CD1 3.49Å; L7-F57 VanDerWaalsContact CD2-CD1 3.49Å; L7-F57 HydrophobicContact CD2-CD2 3.93Å; L7-F57 HydrophobicContact CD2-CE1 3.44Å; L7-F57 VanDerWaalsContact CD2-CE1 3.44Å; L7-F57 HydrophobicContact CD2-CE2 3.92Å; L7-F57 HydrophobicContact CD2-CG 3.74Å; L7-F57 HydrophobicContact CD2-CZ 3.66Å; L7-F57 HydrophobicContact CG-CG 4.47Å; L7-Y61 HydrophobicContact CD1-CD1 4.16Å; L7-Y61 HydrophobicContact CD2-CD1 3.81Å; L7-Y61 HydrophobicContact CD2-CE1 3.48Å; L7-Y61 VanDerWaalsContact CD2-CE1 3.48Å; L7-Y61 HydrophobicContact CG-CD1 3.87Å; L7-Y61 HydrophobicContact CG-CE1 3.91Å
8M93.7Very high90.6Very high98 Ų9882.3 Ų82.348%0.48341%0.412SS..Hα-helixtrans-57.5-46.7173.6-173.1177.1-7700111.8S4 R6 L11 E12 L32S4-M8 WeakPolarHBondContact O-CB 3.5Å; S4-M8 PolarHBondContact O-N 2.85Å; R6-M8 VanDerWaalsContact C-N 3.32Å; R6-M8 PolarHBondContact O-N 3.28Å; M8-L11 PolarHBondContact O-N 3.19Å; M8-E12 WeakPolarHBondContact O-CG 3.47Å; M8-E12 PolarHBondContact O-N 2.76Å; M8-L32 HydrophobicContact CB-CD1 3.92Å; M8-L32 HydrophobicContact CE-CD1 3.83Å
9K94.6Very high90.3Very high140 Ų14079.3 Ų79.361%0.60940%0.396SS*.Hα-helixtrans-64.5-44.2176.6-68.8-177.1176-171.90112.5R6 L7 L11 E12 E13R6-K9 PolarHBondContact O-N 2.9Å; R6-K9 VanDerWaalsContact O-N 3.15Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.04Å; K9-L11 VanDerWaalsContact C-N 3.3Å; K9-L11 PolarHBondContact O-N 2.67Å; K9-E12 PolarHBondContact O-N 3.01Å; K9-E13 WeakPolarHBondContact O-CG 3.42Å; K9-E13 PolarHBondContact O-N 3.46Å
10E95Very high90.2Very high11 Ų1184.1 Ų84.15%0.05142%0.415CS..Hα-helixtrans-62.1-38.9177-70.1-172-130.300111.6R6 L7 E13 I14 W35 Y61 T101R6-E10 HydrophobicContact CG-CG 4.41Å; R6-E10 VanDerWaalsContact CG-OE1 3.28Å; R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 IonicContact CZ-OE1 3.99Å; R6-E10 IonicContact NE-OE1 3.54Å; R6-E10 PolarHBondContact NE-OE1 3.49Å; R6-E10 IonicContact NH2-OE1 3.35Å; R6-E10 PolarHBondContact O-N 3.26Å; L7-E10 PolarHBondContact O-N 3.45Å; E10-E13 PolarHBondContact O-N 3.28Å; E10-I14 WeakPolarHBondContact O-CB 3.01Å; E10-I14 WeakPolarHBondContact O-CD1 3.2Å; E10-I14 VanDerWaalsContact O-CG1 3.28Å; E10-I14 WeakPolarHBondContact O-CG1 3.34Å; E10-I14 PolarHBondContact O-N 2.63Å; E10-W35 HydrophobicContact CB-CH2 4.15Å; E10-Y61 PolarHBondContact OE1-OH 3.22Å; E10-Y61 PolarHBondContact OE2-OH 3.48Å; E10-T101 WeakPolarHBondContact OE2-CB 3.46Å; E10-T101 PolarHBondContact OE2-N 3.22Å; E10-T101 PolarHBondContact OE2-OG1 2.96Å
11L94.4Very high90.3Very high12 Ų1282.2 Ų82.26%0.06341%0.406CS..Hα-helixtrans-65.4-43.6177.4-177.460.6000111.8L7 M8 K9 I14 R15 I25 V27 W35L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.36Å; M8-L11 PolarHBondContact O-N 3.19Å; K9-L11 VanDerWaalsContact C-N 3.3Å; K9-L11 PolarHBondContact O-N 2.67Å; L11-I14 PolarHBondContact O-N 2.81Å; L11-R15 HydrophobicContact CD1-CG 4.43Å; L11-R15 WeakPolarHBondContact O-CB 3.23Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.06Å; L11-I25 HydrophobicContact CD1-CG2 3.85Å; L11-V27 HydrophobicContact CD1-CG2 3.74Å; L11-V27 HydrophobicContact CD2-CB 3.89Å; L11-V27 HydrophobicContact CD2-CG1 4.1Å; L11-V27 HydrophobicContact CD2-CG2 3.78Å; L11-V27 HydrophobicContact CG-CG2 4.43Å; L11-W35 HydrophobicContact CB-CH2 3.65Å; L11-W35 HydrophobicContact CB-CZ2 3.77Å; L11-W35 HydrophobicContact CB-CZ3 4.35Å; L11-W35 HydrophobicContact CD1-CD2 4.44Å; L11-W35 HydrophobicContact CD1-CE3 4.17Å; L11-W35 HydrophobicContact CD1-CH2 4.12Å; L11-W35 HydrophobicContact CD1-CZ2 4.38Å; L11-W35 HydrophobicContact CD1-CZ3 4Å; L11-W35 HydrophobicContact CG-CH2 4.47Å
12E93.7Very high91.4Very high120 Ų12073.4 Ų73.456%0.56136%0.363SS*.Hα-helixtrans-60.7-45.4174.6-74.1173.3-173.400111.5M8 K9 R15 K16M8-E12 WeakPolarHBondContact O-CG 3.47Å; M8-E12 PolarHBondContact O-N 2.76Å; K9-E12 PolarHBondContact O-N 3.01Å; E12-R15 PolarHBondContact O-N 3.24Å; E12-K16 VanDerWaalsContact O-CB 3.25Å; E12-K16 WeakPolarHBondContact O-CB 3.5Å; E12-K16 PolarHBondContact O-N 2.7Å
13E93.1Very high91.6Very high92 Ų9274.2 Ų74.243%0.4335%0.351SS..Hα-helixtrans-60.2-46.7176.4-74.7178.6-17400111.6K9 E10 K16 C17 K100K9-E13 WeakPolarHBondContact O-CG 3.42Å; K9-E13 PolarHBondContact O-N 3.46Å; E10-E13 PolarHBondContact O-N 3.28Å; E13-K16 PolarHBondContact O-N 3.26Å; E13-C17 VanDerWaalsContact O-CB 3.27Å; E13-C17 WeakPolarHBondContact O-CB 3.34Å; E13-C17 PolarHBondContact O-N 3.49Å; E13-K100 IonicContact OE1-NZ 3.99Å; E13-K100 IonicContact OE2-NZ 3.9Å; E13-K100 PolarHBondContact OE2-NZ 3.27Å
14I93.3Very high91.7Very high5 Ų577.7 Ų77.73%0.02637%0.368CS..Hα-helixtrans-64.3-44.4179.6-72.7163.2000111.4E10 L11 K16 C17 G18 M19 I25 W35 T101 D102 I105E10-I14 WeakPolarHBondContact O-CB 3.01Å; E10-I14 WeakPolarHBondContact O-CD1 3.2Å; E10-I14 VanDerWaalsContact O-CG1 3.28Å; E10-I14 WeakPolarHBondContact O-CG1 3.34Å; E10-I14 PolarHBondContact O-N 2.63Å; L11-I14 PolarHBondContact O-N 2.81Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-K16 PolarHBondContact O-N 3.38Å; I14-C17 PolarHBondContact O-N 2.86Å; I14-G18 PolarHBondContact O-N 3.35Å; I14-G18 VanDerWaalsContact O-N 3.15Å; I14-M19 HydrophobicContact CG2-SD 4.13Å; I14-I25 HydrophobicContact CG2-CD1 3.46Å; I14-I25 VanDerWaalsContact CG2-CD1 3.46Å; I14-W35 HydrophobicContact CD1-CH2 4.31Å; I14-W35 HydrophobicContact CD1-CZ3 3.73Å; I14-T101 HydrophobicContact CD1-CG2 4.18Å; I14-D102 HydrophobicContact CD1-CB 4.25Å; I14-D102 HydrophobicContact CG1-CB 3.93Å; I14-I105 HydrophobicContact CD1-CD1 4.24Å
15R91.9Very high91.9Very high141 Ų14176.8 Ų76.853%0.53236%0.36SS..Hα-helixtrans-63-40.5176.8-76.9178.1171.2175.4-2111.6L11 E12L11-R15 HydrophobicContact CD1-CG 4.43Å; L11-R15 WeakPolarHBondContact O-CB 3.23Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.06Å; E12-R15 PolarHBondContact O-N 3.24Å
16K91.5Very high92Very high191 Ų19174.8 Ų74.883%0.8336%0.357SS*.Hα-helixtrans-70-37.5178.1-173.1178.7-179.6-179.10112.7E12 E13 I14 G18E12-K16 VanDerWaalsContact O-CB 3.25Å; E12-K16 WeakPolarHBondContact O-CB 3.5Å; E12-K16 PolarHBondContact O-N 2.7Å; E13-K16 PolarHBondContact O-N 3.26Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-K16 PolarHBondContact O-N 3.38Å; K16-G18 VanDerWaalsContact C-N 3.3Å
17C87.1Confident92Very high99 Ų9973 Ų7367%0.66935%0.353SS*.Hα-helixtrans-68.3-30.3178.5-170.40000112E13 I14E13-C17 VanDerWaalsContact O-CB 3.27Å; E13-C17 WeakPolarHBondContact O-CB 3.34Å; E13-C17 PolarHBondContact O-N 3.49Å; I14-C17 PolarHBondContact O-N 2.86Å
18G81.2Confident91.8Very high42 Ų4277.6 Ų77.643%0.43338%0.377SS..THydrogen-bonded Turntrans66.559.2175.400000112.4I14 K16 K20I14-G18 PolarHBondContact O-N 3.35Å; I14-G18 VanDerWaalsContact O-N 3.15Å; K16-G18 VanDerWaalsContact C-N 3.3Å; G18-K20 PolarHBondContact O-N 3.41Å
19M84.3Confident91.5Very high25 Ų2581.6 Ų81.612%0.12340%0.395CS..  trans-58.2108.3177.8-64.7-17673.600110.8I14 N21 F22 I105 Q106 I109I14-M19 HydrophobicContact CG2-SD 4.13Å; M19-N21 PolarHBondContact O-N 2.84Å; M19-F22 HydrophobicContact CB-CB 4.02Å; M19-F22 CarbonylContact O-C 3.1Å; M19-F22 PolarHBondContact O-N 3.33Å; M19-F22 VanDerWaalsContact O-N 3.17Å; M19-I105 HydrophobicContact CE-CB 4.09Å; M19-I105 HydrophobicContact CE-CG2 3.56Å; M19-I105 HydrophobicContact SD-CG2 4.19Å; M19-Q106 HydrophobicContact CE-CG 3.68Å; M19-I109 HydrophobicContact CE-CD1 4.4Å
20K87.7Confident91.3Very high175 Ų17579.4 Ų79.476%0.76140%0.403SS*.THydrogen-bonded Turntrans-58.1-35.8-178.7-65-173.7179.6-175.90112.5G18 F22 R23G18-K20 PolarHBondContact O-N 3.41Å; K20-F22 VanDerWaalsContact C-N 3.34Å; K20-R23 WeakPolarHBondContact O-CD 3.49Å; K20-R23 WeakPolarHBondContact O-CG 3.42Å
21N91.9Very high91.1Very high44 Ų4481.9 Ų81.924%0.23542%0.416CS..THydrogen-bonded Turntrans-91-0-173.4-56.826.7000112.4M19 I39 V40 D42 I109M19-N21 PolarHBondContact O-N 2.84Å; N21-I39 WeakPolarHBondContact O-CA 3.21Å; N21-V40 PolarHBondContact O-N 3.15Å; N21-D42 PolarHBondContact ND2-OD2 2.95Å; N21-I109 HydrophobicContact CB-CD1 3.85Å; N21-I109 HydrophobicContact CB-CG2 4.08Å
22F94.4Very high91.1Very high5 Ų582.3 Ų82.32%0.02242%0.419CS..EExtended strand (participates in β ladder)trans-136.299.4177-171.6-118.7000110.6M19 K20 I25 L38 I39 I53 I105 I109M19-F22 HydrophobicContact CB-CB 4.02Å; M19-F22 CarbonylContact O-C 3.1Å; M19-F22 PolarHBondContact O-N 3.33Å; M19-F22 VanDerWaalsContact O-N 3.17Å; K20-F22 VanDerWaalsContact C-N 3.34Å; F22-I25 HydrophobicContact CD1-CD1 3.63Å; F22-I25 HydrophobicContact CD1-CG1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 3.68Å; F22-I25 HydrophobicContact CE1-CG1 3.61Å; F22-I25 HydrophobicContact CE1-CG2 4.49Å; F22-I25 HydrophobicContact CZ-CG1 4.43Å; F22-L38 CarbonylContact C-O 3.39Å; F22-L38 WeakPolarHBondContact CA-O 3.29Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; F22-I53 HydrophobicContact CE2-CD1 3.66Å; F22-I53 HydrophobicContact CE2-CG1 3.75Å; F22-I53 HydrophobicContact CZ-CD1 4.2Å; F22-I53 HydrophobicContact CZ-CG1 4.37Å; F22-I105 HydrophobicContact CB-CG2 3.92Å; F22-I105 HydrophobicContact CD1-CD1 3.87Å; F22-I105 HydrophobicContact CD1-CG2 4.09Å; F22-I105 HydrophobicContact CD2-CG2 4.14Å; F22-I105 HydrophobicContact CE1-CD1 3.65Å; F22-I105 HydrophobicContact CE1-CG1 4.5Å; F22-I105 HydrophobicContact CG-CG2 3.79Å; F22-I105 HydrophobicContact CZ-CD1 4.23Å; F22-I109 HydrophobicContact CB-CD1 4.22Å
23R93.2Very high91.2Very high86 Ų8678.6 Ų78.633%0.32540%0.403SS..EExtended strand (participates in β ladder)trans-112172.6-170-57.7-69.9-75.8137.6-0.4111.2K20 I25 L38 V40 P152 D154K20-R23 WeakPolarHBondContact O-CD 3.49Å; K20-R23 WeakPolarHBondContact O-CG 3.42Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 3.48Å; R23-L38 PolarHBondContact N-O 3.29Å; R23-L38 WeakPolarHBondContact O-CB 3.15Å; R23-L38 PolarHBondContact O-N 3.22Å; R23-V40 HydrophobicContact CB-CG2 4.3Å; R23-V40 HydrophobicContact CG-CG2 3.93Å; R23-P152 HydrophobicContact CB-CG 3.84Å; R23-P152 HydrophobicContact CG-CG 4.12Å; R23-D154 IonicContact CZ-OD1 2.87Å; R23-D154 IonicContact NE-OD1 2.84Å; R23-D154 PolarHBondContact NE-OD1 3.15Å; R23-D154 IonicContact NE-OD2 3.64Å; R23-D154 IonicContact NH2-OD1 3.3Å; R23-D154 PolarHBondContact NH2-OD1 2.91Å; R23-D154 IonicContact NH2-OD2 2.73Å
24N93Very high91.4Very high80 Ų8076.1 Ų76.143%0.42839%0.394SS..EExtended strand (participates in β ladder)trans52.646.4172-59.311.6000113.7Q26 L38N24-Q26 PolarHBondContact O-N 2.86Å; N24-L38 HydrophobicContact CB-CB 4.25Å
25I94.1Very high91.6Very high30 Ų3076 Ų7615%0.15439%0.393CS..EExtended strand (participates in β ladder)trans-70111.8-178.2-51.6178.3000109.9L11 I14 F22 R23 V27 Q36L11-I25 HydrophobicContact CD1-CG2 3.85Å; I14-I25 HydrophobicContact CG2-CD1 3.46Å; I14-I25 VanDerWaalsContact CG2-CD1 3.46Å; F22-I25 HydrophobicContact CD1-CD1 3.63Å; F22-I25 HydrophobicContact CD1-CG1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 3.68Å; F22-I25 HydrophobicContact CE1-CG1 3.61Å; F22-I25 HydrophobicContact CE1-CG2 4.49Å; F22-I25 HydrophobicContact CZ-CG1 4.43Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 3.48Å; I25-V27 HydrophobicContact CG2-CG2 4.1Å; I25-Q36 CarbonylContact C-O 3.58Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å
26Q94.6Very high91.8Very high112 Ų11271.9 Ų71.952%0.52338%0.38SS..EExtended strand (participates in β ladder)trans-110.1123.5178.2-68.2177.8-11.900109.2N24 Q36N24-Q26 PolarHBondContact O-N 2.86Å; Q26-Q36 HydrophobicContact CB-CB 4.4Å; Q26-Q36 PolarHBondContact N-O 2.99Å; Q26-Q36 PolarHBondContact O-N 3.5Å
27V94.4Very high92Very high25 Ų2562.8 Ų62.815%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-137.3131.2177-175.50000107L11 I25 L32 W35L11-V27 HydrophobicContact CD1-CG2 3.74Å; L11-V27 HydrophobicContact CD2-CB 3.89Å; L11-V27 HydrophobicContact CD2-CG1 4.1Å; L11-V27 HydrophobicContact CD2-CG2 3.78Å; L11-V27 HydrophobicContact CG-CG2 4.43Å; I25-V27 HydrophobicContact CG2-CG2 4.1Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-W35 HydrophobicContact CG1-CG 4.27Å; V27-W35 HydrophobicContact CG2-CB 3.89Å; V27-W35 HydrophobicContact CG2-CD2 3.86Å; V27-W35 HydrophobicContact CG2-CG 3.51Å
28D91Very high92.5Very high96 Ų9658.2 Ų58.251%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-74.2125.7172.7-177.4-2.9000109.3A30 N31 L32D28-A30 PolarHBondContact O-N 3.38Å; D28-A30 WeakPolarHBondContact OD1-CB 3.36Å; D28-A30 PolarHBondContact OD1-N 3.25Å; D28-N31 HydrophobicContact CB-CB 4.36Å; D28-N31 CarbonylContact O-C 3.01Å; D28-N31 PolarHBondContact O-N 2.88Å; D28-L32 PolarHBondContact O-N 2.97Å
29E86.6Confident93.3Very high182 Ų18256.2 Ų56.285%0.8529%0.289SS*.THydrogen-bonded Turntrans-63.4-29.1178.4-62.9-177173.900112N31E29-N31 VanDerWaalsContact C-N 3.35Å
30A90.5Very high93.8Very high95 Ų9555.7 Ų55.779%0.78529%0.287SS*.THydrogen-bonded Turntrans-75.4-25.1173.800000112.5D28D28-A30 PolarHBondContact O-N 3.38Å; D28-A30 WeakPolarHBondContact OD1-CB 3.36Å; D28-A30 PolarHBondContact OD1-N 3.25Å
31N92.1Very high94.2Very high62 Ų6247.3 Ų47.333%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-136.982.9-179-177.721.1000112.6D28 E29 L33 T34D28-N31 HydrophobicContact CB-CB 4.36Å; D28-N31 CarbonylContact O-C 3.01Å; D28-N31 PolarHBondContact O-N 2.88Å; E29-N31 VanDerWaalsContact C-N 3.35Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact OD1-CB 3.28Å; N31-L33 WeakPolarHBondContact OD1-CB 3.27Å; N31-L33 PolarHBondContact OD1-N 3.22Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; N31-T34 PolarHBondContact ND2-OG1 2.9Å; N31-T34 PolarHBondContact O-N 3.33Å
32L93.7Very high94.3Very high22 Ų2249.3 Ų49.312%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-67.1-2.1174-60.6-179.1000114.3S4 L7 M8 V27 D28 W35S4-L32 WeakPolarHBondContact O-CD1 3.35Å; L7-L32 HydrophobicContact CB-CB 4.48Å; L7-L32 WeakPolarHBondContact CD1-O 3.47Å; M8-L32 HydrophobicContact CB-CD1 3.92Å; M8-L32 HydrophobicContact CE-CD1 3.83Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; D28-L32 PolarHBondContact O-N 2.97Å; L32-W35 PolarHBondContact O-NE1 3.45Å
33L95.8Very high94.3Very high42 Ų4252.1 Ų52.122%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-85.9-8179.9-57178.4000113.3A3 L7 N31 N56 F57A3-L33 HydrophobicContact CB-CD2 4.27Å; L7-L33 HydrophobicContact CD1-CD2 3.65Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact OD1-CB 3.28Å; N31-L33 WeakPolarHBondContact OD1-CB 3.27Å; N31-L33 PolarHBondContact OD1-N 3.22Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; L33-N56 WeakPolarHBondContact O-CA 3.28Å; L33-F57 HydrophobicContact CB-CB 4.41Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.28Å; L33-F57 PolarHBondContact O-N 3.09Å
34T96.9Very high94.4Very high40 Ų4052.4 Ų52.425%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-127.3116.2178-59.20000109.6N31 E54 I55 N56N31-T34 PolarHBondContact ND2-OG1 2.9Å; N31-T34 PolarHBondContact O-N 3.33Å; T34-E54 HydrophobicContact CG2-CG 3.81Å; T34-I55 WeakPolarHBondContact CA-O 3.24Å; T34-N56 WeakPolarHBondContact CG2-OD1 3.46Å; T34-N56 PolarHBondContact OG1-OD1 3.17Å
35W97.1Very high94.6Very high1 Ų149.1 Ų49.10%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-115.2143178.4-60.412.9000109L7 E10 L11 I14 V27 L32 E54 I55 F57 T101L7-W35 HydrophobicContact CB-CZ2 3.99Å; L7-W35 HydrophobicContact CD2-CZ2 3.91Å; L7-W35 WeakPolarHBondContact O-CZ2 3.25Å; E10-W35 HydrophobicContact CB-CH2 4.15Å; L11-W35 HydrophobicContact CB-CH2 3.65Å; L11-W35 HydrophobicContact CB-CZ2 3.77Å; L11-W35 HydrophobicContact CB-CZ3 4.35Å; L11-W35 HydrophobicContact CD1-CD2 4.44Å; L11-W35 HydrophobicContact CD1-CE3 4.17Å; L11-W35 HydrophobicContact CD1-CH2 4.12Å; L11-W35 HydrophobicContact CD1-CZ2 4.38Å; L11-W35 HydrophobicContact CD1-CZ3 4Å; L11-W35 HydrophobicContact CG-CH2 4.47Å; I14-W35 HydrophobicContact CD1-CH2 4.31Å; I14-W35 HydrophobicContact CD1-CZ3 3.73Å; V27-W35 HydrophobicContact CG1-CG 4.27Å; V27-W35 HydrophobicContact CG2-CB 3.89Å; V27-W35 HydrophobicContact CG2-CD2 3.86Å; V27-W35 HydrophobicContact CG2-CG 3.51Å; L32-W35 PolarHBondContact O-NE1 3.45Å; W35-E54 CarbonylContact O-C 3.51Å; W35-E54 VanDerWaalsContact O-CA 3.28Å; W35-E54 WeakPolarHBondContact O-CA 3.48Å; W35-I55 HydrophobicContact CB-CB 4.34Å; W35-I55 PolarHBondContact N-O 3.21Å; W35-I55 PolarHBondContact O-N 3.06Å; W35-F57 HydrophobicContact CB-CE2 4.37Å; W35-F57 AromaticContact CD1-CE2 3.7Å; W35-F57 AromaticContact CD2-CE2 3.63Å; W35-F57 HydrophobicContact CD2-CE2 3.63Å; W35-F57 HydrophobicContact CD2-CZ 4.1Å; W35-F57 AromaticContact CE2-CE2 3.64Å; W35-F57 HydrophobicContact CE3-CE2 4.27Å; W35-F57 HydrophobicContact CE3-CZ 4.31Å; W35-F57 AromaticContact CG-CE2 3.67Å; W35-F57 HydrophobicContact CG-CE2 3.67Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.37Å; W35-F57 AromaticContact NE1-CE2 3.65Å; W35-T101 HydrophobicContact CE3-CG2 4.3Å; W35-T101 HydrophobicContact CZ3-CG2 3.89Å
36Q97.1Very high94.7Very high55 Ų5547.7 Ų47.726%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-119.3148.9167.6-68.5-173.80.100109.7I25 Q26 I53 E54I25-Q36 CarbonylContact C-O 3.58Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å; Q26-Q36 HydrophobicContact CB-CB 4.4Å; Q26-Q36 PolarHBondContact N-O 2.99Å; Q26-Q36 PolarHBondContact O-N 3.5Å; Q36-I53 WeakPolarHBondContact CA-O 3.16Å; Q36-E54 HydrophobicContact CG-CB 4.18Å; Q36-E54 HydrophobicContact CG-CG 4.02Å; Q36-E54 PolarHBondContact NE2-OE2 3.3Å
37G96.1Very high94.8Very high0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-164.1172.8171.900000111R52 I53G37-R52 WeakPolarHBondContact O-CA 3.21Å; G37-I53 PolarHBondContact N-O 2.92Å; G37-I53 VanDerWaalsContact N-O 3.11Å; G37-I53 PolarHBondContact O-N 3.33Å
38L96.9Very high94.8Very high3 Ų348 Ų482%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-116.5111.6-170-164.472.8000109.1F22 R23 N24 A50 R52 E149 P152F22-L38 CarbonylContact C-O 3.39Å; F22-L38 WeakPolarHBondContact CA-O 3.29Å; R23-L38 PolarHBondContact N-O 3.29Å; R23-L38 WeakPolarHBondContact O-CB 3.15Å; R23-L38 PolarHBondContact O-N 3.22Å; N24-L38 HydrophobicContact CB-CB 4.25Å; L38-A50 HydrophobicContact CD1-CB 4Å; L38-A50 HydrophobicContact CD2-CB 3.67Å; L38-A50 HydrophobicContact CG-CB 3.7Å; L38-R52 HydrophobicContact CD1-CB 4.04Å; L38-E149 HydrophobicContact CD1-CB 3.96Å; L38-E149 HydrophobicContact CD1-CG 4.06Å; L38-P152 HydrophobicContact CD2-CG 3.89Å
39I97.1Very high95Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-71.8130.8170.3-64.2178.9000108.2N21 F22 P41 A50 F51 I53 F70 L108 I109 V112N21-I39 WeakPolarHBondContact O-CA 3.21Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; I39-P41 HydrophobicContact CG2-CG 3.99Å; I39-P41 WeakPolarHBondContact O-CD 3.27Å; I39-A50 CarbonylContact O-C 3.54Å; I39-A50 VanDerWaalsContact O-CA 3.29Å; I39-A50 WeakPolarHBondContact O-CA 3.35Å; I39-F51 HydrophobicContact CB-CB 4.45Å; I39-F51 PolarHBondContact N-O 3.44Å; I39-F51 PolarHBondContact O-N 2.75Å; I39-I53 HydrophobicContact CD1-CD1 4.1Å; I39-I53 HydrophobicContact CD1-CG1 4.49Å; I39-I53 HydrophobicContact CD1-CG2 3.65Å; I39-I53 HydrophobicContact CG1-CD1 4.19Å; I39-I53 HydrophobicContact CG1-CG1 4.36Å; I39-I53 HydrophobicContact CG1-CG2 4.13Å; I39-F70 HydrophobicContact CD1-CE1 4.07Å; I39-F70 HydrophobicContact CD1-CZ 3.97Å; I39-L108 HydrophobicContact CD1-CD2 3.72Å; I39-L108 HydrophobicContact CD1-CG 3.93Å; I39-I109 HydrophobicContact CG1-CG1 4.45Å; I39-I109 HydrophobicContact CG2-CG1 4.15Å; I39-V112 HydrophobicContact CD1-CG2 4.5Å
40V96.3Very high95.5Very high14 Ų1434.9 Ų34.99%0.08520%0.2CC..  trans-118.592.5176-174.60000107.1N21 R23 A50 P152N21-V40 PolarHBondContact O-N 3.15Å; R23-V40 HydrophobicContact CB-CG2 4.3Å; R23-V40 HydrophobicContact CG-CG2 3.93Å; V40-A50 HydrophobicContact CG2-CB 4.34Å; V40-P152 HydrophobicContact CG2-CG 4.12Å
41P96Very high95.9Very high0 Ų030.3 Ų30.30%016%0.163CC..  trans-67.5150.5-179-21.135.3000111.6I39 F51 V112 R151I39-P41 HydrophobicContact CG2-CG 3.99Å; I39-P41 WeakPolarHBondContact O-CD 3.27Å; P41-F51 HydrophobicContact CG-CD2 3.79Å; P41-F51 HydrophobicContact CG-CE2 3.88Å; P41-V112 HydrophobicContact CB-CG1 4.23Å; P41-V112 HydrophobicContact CG-CG1 3.77Å; P41-R151 PolarHBondContact O-NH1 3.45Å; P41-R151 PolarHBondContact O-NH2 3.32Å
42D93.1Very high96.2Very high86 Ų8629.8 Ų29.846%0.4616%0.156SC..  trans-98.1-27177.9-64.4-43000111.7N21 N113N21-D42 PolarHBondContact ND2-OD2 2.95Å; D42-N113 PolarHBondContact N-OD1 3.15Å
43N94.8Very high96.4Very high63 Ų6328.7 Ų28.734%0.33715%0.15SC..SBendtrans-94.3137.1-172.9-69.4-4.8000111.9Y46 D47 N113N43-Y46 PolarHBondContact O-N 3.09Å; N43-Y46 VanDerWaalsContact O-N 3.09Å; N43-D47 PolarHBondContact O-N 3.45Å; N43-D47 VanDerWaalsContact O-N 3.15Å; N43-N113 HydrophobicContact CB-CB 4.3Å; N43-N113 PolarHBondContact N-OD1 3.32Å
44P94.9Very high96.5Very high92 Ų9228 Ų2860%0.59715%0.146SC*.THydrogen-bonded Turntrans-56.1145.6160.7-21.832.9000110.3D47P44-D47 WeakPolarHBondContact CA-OD1 3.43Å
45P96.9Very high96.5Very high11 Ų1126 Ų267%0.07113%0.134CC..THydrogen-bonded Turncis-89.77.59.935.2-36.4000115.1F136 C137 A140 E141P45-F136 HydrophobicContact CG-CE1 4.24Å; P45-C137 HydrophobicContact CB-CB 4.46Å; P45-A140 HydrophobicContact CB-CB 3.69Å; P45-A140 HydrophobicContact CG-CB 3.35Å; P45-E141 HydrophobicContact CB-CB 4.33Å
46Y97.7Very high96.5Very high1 Ų128.4 Ų28.40%0.00415%0.147CC..THydrogen-bonded Turntrans-98.8-10.1-170.6-53.3-61.2000113.9N43 K48 G49 F51 I74 Y75 H76 V112 P115 F136 A140N43-Y46 PolarHBondContact O-N 3.09Å; N43-Y46 VanDerWaalsContact O-N 3.09Å; Y46-K48 PolarHBondContact O-N 2.99Å; Y46-K48 VanDerWaalsContact O-N 3.08Å; Y46-G49 PolarHBondContact O-N 2.91Å; Y46-F51 HydrophobicContact CD1-CE2 4.43Å; Y46-F51 HydrophobicContact CD1-CZ 4.12Å; Y46-I74 HydrophobicContact CD1-CD1 4.15Å; Y46-I74 HydrophobicContact CD1-CG1 4.19Å; Y46-I74 HydrophobicContact CE1-CD1 4.2Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; Y46-Y75 VanDerWaalsContact CE1-O 3.24Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.32Å; Y46-Y75 PolarHBondContact OH-O 3.28Å; Y46-H76 AromaticContact CE2-CD2 3.66Å; Y46-H76 AromaticContact CZ-CD2 3.55Å; Y46-H76 PolarHBondContact OH-CD2 3.47Å; Y46-H76 VanDerWaalsContact OH-CD2 3.24Å; Y46-V112 HydrophobicContact CD2-CG1 4.36Å; Y46-V112 WeakPolarHBondContact CD2-O 3.28Å; Y46-V112 VanDerWaalsContact CE2-O 3.27Å; Y46-V112 WeakPolarHBondContact CE2-O 3.5Å; Y46-P115 HydrophobicContact CE2-CG 4.33Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.4Å; Y46-A140 HydrophobicContact CE1-CB 4.19Å
47D95.6Very high96.6Very high30 Ų3026.3 Ų26.316%0.1614%0.137CC..THydrogen-bonded Turntrans-62.5-11.3-177.672.9-42.3000114.9N43 P44 R151N43-D47 PolarHBondContact O-N 3.45Å; N43-D47 VanDerWaalsContact O-N 3.15Å; P44-D47 WeakPolarHBondContact CA-OD1 3.43Å; D47-R151 VanDerWaalsContact O-CD 3.25Å; D47-R151 WeakPolarHBondContact O-CD 3.39Å; D47-R151 PolarHBondContact O-NE 2.71Å; D47-R151 PolarHBondContact O-NH1 3.43Å
48K94.6Very high96.5Very high113 Ų11327.9 Ų27.949%0.49115%0.147SC..THydrogen-bonded Turntrans-88.7-11.3177.8-54.6-47.4179.6-152.60114.2Y46 E141 T144Y46-K48 PolarHBondContact O-N 2.99Å; Y46-K48 VanDerWaalsContact O-N 3.08Å; K48-E141 HydrophobicContact CG-CG 4.48Å; K48-T144 HydrophobicContact CB-CG2 4.41Å
49G95.9Very high96.4Very high2 Ų231.4 Ų31.42%0.02118%0.176CC..  trans-131.9-175.5-178.100000112.4Y46 R151Y46-G49 PolarHBondContact O-N 2.91Å; G49-R151 VanDerWaalsContact O-CG 3.32Å; G49-R151 WeakPolarHBondContact O-CG 3.25Å; G49-R151 PolarHBondContact O-NH1 3.02Å
50A97.5Very high96.2Very high0 Ų035.5 Ų35.50%020%0.196CC..BIsolated β-bridgetrans-134.8154.817100000109.3L38 I39 V40 E149 R151L38-A50 HydrophobicContact CD1-CB 4Å; L38-A50 HydrophobicContact CD2-CB 3.67Å; L38-A50 HydrophobicContact CG-CB 3.7Å; I39-A50 CarbonylContact O-C 3.54Å; I39-A50 VanDerWaalsContact O-CA 3.29Å; I39-A50 WeakPolarHBondContact O-CA 3.35Å; V40-A50 HydrophobicContact CG2-CB 4.34Å; A50-E149 HydrophobicContact CB-CB 4.26Å; A50-E149 PolarHBondContact N-O 2.96Å; A50-E149 WeakPolarHBondContact O-CB 3.47Å; A50-E149 PolarHBondContact O-N 2.92Å; A50-R151 HydrophobicContact CB-CG 4.31Å
51F98.3Very high96.2Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-129.6115.3-170.7-59.5-86.1000111I39 P41 Y46 F70 T72 I74 T144I39-F51 HydrophobicContact CB-CB 4.45Å; I39-F51 PolarHBondContact N-O 3.44Å; I39-F51 PolarHBondContact O-N 2.75Å; P41-F51 HydrophobicContact CG-CD2 3.79Å; P41-F51 HydrophobicContact CG-CE2 3.88Å; Y46-F51 HydrophobicContact CD1-CE2 4.43Å; Y46-F51 HydrophobicContact CD1-CZ 4.12Å; F51-F70 HydrophobicContact CB-CD1 4.08Å; F51-F70 HydrophobicContact CB-CE1 4.04Å; F51-T72 HydrophobicContact CD1-CG2 3.88Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.84Å; F51-I74 HydrophobicContact CD1-CG1 3.89Å; F51-I74 HydrophobicContact CD2-CD1 4.19Å; F51-I74 HydrophobicContact CE1-CB 3.7Å; F51-I74 HydrophobicContact CE1-CD1 3.76Å; F51-I74 HydrophobicContact CE1-CG1 3.49Å; F51-I74 VanDerWaalsContact CE1-CG1 3.49Å; F51-I74 HydrophobicContact CE2-CD1 4.14Å; F51-I74 HydrophobicContact CG-CD1 4.05Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.89Å; F51-T144 HydrophobicContact CE2-CG2 4.43Å; F51-T144 HydrophobicContact CZ-CG2 3.85Å
52R98.1Very high96.2Very high50 Ų5035.9 Ų35.919%0.18920%0.198CC..EExtended strand (participates in β ladder)trans-75128.5178.1-171.8178.2-56.2-81.3-8.1109.4G37 L38 K71 T72 E149G37-R52 WeakPolarHBondContact O-CA 3.21Å; L38-R52 HydrophobicContact CD1-CB 4.04Å; R52-K71 HydrophobicContact CB-CB 4.23Å; R52-K71 HydrophobicContact CG-CB 4.18Å; R52-K71 PolarHBondContact O-N 3.48Å; R52-T72 VanDerWaalsContact CB-OG1 3.31Å; R52-T72 WeakPolarHBondContact CB-OG1 3.44Å; R52-T72 PolarHBondContact N-OG1 3.01Å; R52-T72 PolarHBondContact O-N 3.35Å; R52-E149 IonicContact CZ-OE1 2.74Å; R52-E149 VanDerWaalsContact CZ-OE1 3.3Å; R52-E149 IonicContact NE-OE1 2.66Å; R52-E149 PolarHBondContact NE-OE1 3.08Å; R52-E149 IonicContact NH2-OE1 3.1Å; R52-E149 PolarHBondContact NH2-OE1 3.05Å; R52-E149 IonicContact NH2-OE2 3.26Å
53I98.1Very high96.3Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-117.3155.7171.964.6164.7000110F22 Q36 G37 I39 I55 I68 T69 F70 L108F22-I53 HydrophobicContact CE2-CD1 3.66Å; F22-I53 HydrophobicContact CE2-CG1 3.75Å; F22-I53 HydrophobicContact CZ-CD1 4.2Å; F22-I53 HydrophobicContact CZ-CG1 4.37Å; Q36-I53 WeakPolarHBondContact CA-O 3.16Å; G37-I53 PolarHBondContact N-O 2.92Å; G37-I53 VanDerWaalsContact N-O 3.11Å; G37-I53 PolarHBondContact O-N 3.33Å; I39-I53 HydrophobicContact CD1-CD1 4.1Å; I39-I53 HydrophobicContact CD1-CG1 4.49Å; I39-I53 HydrophobicContact CD1-CG2 3.65Å; I39-I53 HydrophobicContact CG1-CD1 4.19Å; I39-I53 HydrophobicContact CG1-CG1 4.36Å; I39-I53 HydrophobicContact CG1-CG2 4.13Å; I53-I55 HydrophobicContact CD1-CD1 4.19Å; I53-I55 HydrophobicContact CD1-CG1 4.08Å; I53-I68 HydrophobicContact CB-CG2 4.13Å; I53-I68 HydrophobicContact CD1-CG2 4.1Å; I53-I68 HydrophobicContact CG2-CG2 4.5Å; I53-T69 CarbonylContact C-O 3.57Å; I53-T69 WeakPolarHBondContact CA-O 3.41Å; I53-F70 HydrophobicContact CG2-CD1 3.72Å; I53-F70 HydrophobicContact CG2-CD2 4.18Å; I53-F70 HydrophobicContact CG2-CE1 3.68Å; I53-F70 HydrophobicContact CG2-CE2 4.15Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.9Å; I53-L108 HydrophobicContact CD1-CD2 3.85Å; I53-L108 HydrophobicContact CG2-CD2 4.46Å
54E97.9Very high96.4Very high26 Ų2641.6 Ų41.612%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-121.8128.7168.5-173.2179.183.500108.9T34 W35 Q36 N56 I68 T69 K71T34-E54 HydrophobicContact CG2-CG 3.81Å; W35-E54 CarbonylContact O-C 3.51Å; W35-E54 VanDerWaalsContact O-CA 3.28Å; W35-E54 WeakPolarHBondContact O-CA 3.48Å; Q36-E54 HydrophobicContact CG-CB 4.18Å; Q36-E54 HydrophobicContact CG-CG 4.02Å; Q36-E54 PolarHBondContact NE2-OE2 3.3Å; E54-N56 PolarHBondContact OE1-ND2 3.39Å; E54-I68 WeakPolarHBondContact O-CA 3.27Å; E54-T69 PolarHBondContact N-O 2.69Å; E54-T69 PolarHBondContact O-N 3.24Å; E54-K71 HydrophobicContact CB-CD 4.41Å; E54-K71 HydrophobicContact CB-CG 4.18Å; E54-K71 VanDerWaalsContact OE1-CE 3.25Å; E54-K71 WeakPolarHBondContact OE1-CE 3.37Å; E54-K71 IonicContact OE1-NZ 2.73Å; E54-K71 PolarHBondContact OE1-NZ 2.99Å; E54-K71 WeakPolarHBondContact OE2-CE 3.24Å; E54-K71 IonicContact OE2-NZ 2.79Å; E54-K71 PolarHBondContact OE2-NZ 2.77Å; E54-K71 VanDerWaalsContact OE2-NZ 3.1Å
55I97.5Very high96.5Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-107.2116.1176.8-49.2177.1000106.8T34 W35 I53 F57 P66 K67 I68 T101 I105T34-I55 WeakPolarHBondContact CA-O 3.24Å; W35-I55 HydrophobicContact CB-CB 4.34Å; W35-I55 PolarHBondContact N-O 3.21Å; W35-I55 PolarHBondContact O-N 3.06Å; I53-I55 HydrophobicContact CD1-CD1 4.19Å; I53-I55 HydrophobicContact CD1-CG1 4.08Å; I55-F57 HydrophobicContact CB-CE2 4.19Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.33Å; I55-F57 HydrophobicContact CG2-CE1 4.08Å; I55-F57 HydrophobicContact CG2-CE2 3.66Å; I55-F57 HydrophobicContact CG2-CZ 3.53Å; I55-P66 HydrophobicContact CG2-CB 3.83Å; I55-K67 WeakPolarHBondContact CA-O 3.44Å; I55-I68 HydrophobicContact CG1-CG1 4.3Å; I55-I68 HydrophobicContact CG2-CG1 4.34Å; I55-T101 HydrophobicContact CD1-CG2 4.27Å; I55-I105 HydrophobicContact CD1-CD1 4.05Å; I55-I105 HydrophobicContact CD1-CG1 3.92Å
56N97.2Very high96.5Very high51 Ų5138.1 Ų38.127%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-107.7117.1177.5-73.5-73000109.4L33 T34 E54 P66 K67L33-N56 WeakPolarHBondContact O-CA 3.28Å; T34-N56 WeakPolarHBondContact CG2-OD1 3.46Å; T34-N56 PolarHBondContact OG1-OD1 3.17Å; E54-N56 PolarHBondContact OE1-ND2 3.39Å; N56-P66 WeakPolarHBondContact O-CA 3.44Å; N56-K67 PolarHBondContact N-O 3.27Å; N56-K67 PolarHBondContact O-N 3.02Å
57F97.2Very high96.4Very high10 Ų1045.7 Ų45.74%0.04423%0.226CC..  trans-90.9129.5177.3-59.8-87.6000109.8L7 L33 W35 I55 Y61 P66 T101L7-F57 HydrophobicContact CD1-CB 3.9Å; L7-F57 HydrophobicContact CD1-CD1 4.33Å; L7-F57 HydrophobicContact CD1-CD2 4.1Å; L7-F57 HydrophobicContact CD1-CG 3.85Å; L7-F57 HydrophobicContact CD2-CD1 3.49Å; L7-F57 VanDerWaalsContact CD2-CD1 3.49Å; L7-F57 HydrophobicContact CD2-CD2 3.93Å; L7-F57 HydrophobicContact CD2-CE1 3.44Å; L7-F57 VanDerWaalsContact CD2-CE1 3.44Å; L7-F57 HydrophobicContact CD2-CE2 3.92Å; L7-F57 HydrophobicContact CD2-CG 3.74Å; L7-F57 HydrophobicContact CD2-CZ 3.66Å; L7-F57 HydrophobicContact CG-CG 4.47Å; L33-F57 HydrophobicContact CB-CB 4.41Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.28Å; L33-F57 PolarHBondContact O-N 3.09Å; W35-F57 HydrophobicContact CB-CE2 4.37Å; W35-F57 AromaticContact CD1-CE2 3.7Å; W35-F57 AromaticContact CD2-CE2 3.63Å; W35-F57 HydrophobicContact CD2-CE2 3.63Å; W35-F57 HydrophobicContact CD2-CZ 4.1Å; W35-F57 AromaticContact CE2-CE2 3.64Å; W35-F57 HydrophobicContact CE3-CE2 4.27Å; W35-F57 HydrophobicContact CE3-CZ 4.31Å; W35-F57 AromaticContact CG-CE2 3.67Å; W35-F57 HydrophobicContact CG-CE2 3.67Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.37Å; W35-F57 AromaticContact NE1-CE2 3.65Å; I55-F57 HydrophobicContact CB-CE2 4.19Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.33Å; I55-F57 HydrophobicContact CG2-CE1 4.08Å; I55-F57 HydrophobicContact CG2-CE2 3.66Å; I55-F57 HydrophobicContact CG2-CZ 3.53Å; F57-Y61 HydrophobicContact CB-CG 4.43Å; F57-Y61 HydrophobicContact CD1-CD1 4.28Å; F57-Y61 AromaticContact CD1-CD2 3.77Å; F57-Y61 HydrophobicContact CD1-CD2 3.77Å; F57-Y61 HydrophobicContact CD1-CE1 4.33Å; F57-Y61 AromaticContact CD1-CE2 3.85Å; F57-Y61 HydrophobicContact CD1-CE2 3.85Å; F57-Y61 HydrophobicContact CD1-CG 4Å; F57-Y61 HydrophobicContact CE1-CE2 4.13Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.45Å; F57-P66 HydrophobicContact CE1-CB 3.8Å; F57-P66 HydrophobicContact CE1-CG 4.25Å; F57-P66 HydrophobicContact CG-CB 4.42Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 WeakPolarHBondContact CE1-OG1 3.27Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å
58P95.7Very high96.5Very high33 Ų3344.7 Ų44.721%0.21422%0.221CC..  trans-66.3156.217228.4-33.9000110.7E60 Y61 K64 P65P58-E60 PolarHBondContact O-N 3.31Å; P58-E60 VanDerWaalsContact O-N 3.15Å; P58-Y61 WeakPolarHBondContact O-CB 3.29Å; P58-Y61 PolarHBondContact O-N 3.04Å; P58-K64 HydrophobicContact CB-CB 4.15Å; P58-K64 HydrophobicContact CG-CB 3.51Å; P58-P65 VanDerWaalsContact CD-O 3.25Å; P58-P65 WeakPolarHBondContact CD-O 3.43Å; P58-P65 WeakPolarHBondContact CG-O 3.18Å
59A93.5Very high96.7Very high77 Ų7741.2 Ų41.264%0.63621%0.209SC*.THydrogen-bonded Turntrans-60.6-26.9177.900000112.5Y61A59-Y61 VanDerWaalsContact C-N 3.29Å
60E94.6Very high96.8Very high87 Ų8741.5 Ų41.541%0.40721%0.21SC..THydrogen-bonded Turntrans-84.24.3176.7-50.895134.500113.5P58 F63 K64P58-E60 PolarHBondContact O-N 3.31Å; P58-E60 VanDerWaalsContact O-N 3.15Å; E60-F63 WeakPolarHBondContact O-CA 3.29Å; E60-F63 WeakPolarHBondContact O-CB 3.32Å; E60-F63 WeakPolarHBondContact O-CD2 3.5Å; E60-F63 PolarHBondContact O-N 2.96Å; E60-K64 HydrophobicContact CB-CB 4.49Å; E60-K64 HydrophobicContact CB-CD 4.14Å; E60-K64 HydrophobicContact CB-CG 4.2Å; E60-K64 HydrophobicContact CG-CD 4.4Å; E60-K64 IonicContact OE1-NZ 3.88Å; E60-K64 PolarHBondContact OE1-NZ 3.27Å
61Y96Very high96.8Very high4 Ų446.5 Ų46.52%0.01623%0.232CC..THydrogen-bonded Turntrans-55.1131.6172.4-176.7-96.6000110.1A3 R6 L7 E10 F57 P58 A59 W95A3-Y61 WeakPolarHBondContact CA-O 3.37Å; A3-Y61 WeakPolarHBondContact CB-O 3.47Å; R6-Y61 HydrophobicContact CG-CE1 4.14Å; R6-Y61 PolarHBondContact NH2-OH 3Å; L7-Y61 HydrophobicContact CD1-CD1 4.16Å; L7-Y61 HydrophobicContact CD2-CD1 3.81Å; L7-Y61 HydrophobicContact CD2-CE1 3.48Å; L7-Y61 VanDerWaalsContact CD2-CE1 3.48Å; L7-Y61 HydrophobicContact CG-CD1 3.87Å; L7-Y61 HydrophobicContact CG-CE1 3.91Å; E10-Y61 PolarHBondContact OE1-OH 3.22Å; E10-Y61 PolarHBondContact OE2-OH 3.48Å; F57-Y61 HydrophobicContact CB-CG 4.43Å; F57-Y61 HydrophobicContact CD1-CD1 4.28Å; F57-Y61 AromaticContact CD1-CD2 3.77Å; F57-Y61 HydrophobicContact CD1-CD2 3.77Å; F57-Y61 HydrophobicContact CD1-CE1 4.33Å; F57-Y61 AromaticContact CD1-CE2 3.85Å; F57-Y61 HydrophobicContact CD1-CE2 3.85Å; F57-Y61 HydrophobicContact CD1-CG 4Å; F57-Y61 HydrophobicContact CE1-CE2 4.13Å; P58-Y61 WeakPolarHBondContact O-CB 3.29Å; P58-Y61 PolarHBondContact O-N 3.04Å; A59-Y61 VanDerWaalsContact C-N 3.29Å; Y61-W95 HydrophobicContact CD2-CZ2 4.2Å; Y61-W95 AromaticContact CE2-CH2 3.84Å; Y61-W95 HydrophobicContact CE2-CH2 3.84Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å
62P95.5Very high96.8Very high18 Ų1847 Ų4712%0.11724%0.235CC..THydrogen-bonded Turncis-95.910.313.740.3-39.9000115.6K64 W95 P97P62-K64 VanDerWaalsContact C-N 3.3Å; P62-W95 PolarHBondContact O-NE1 3.33Å; P62-P97 HydrophobicContact CB-CB 4.22Å; P62-P97 HydrophobicContact CG-CB 4.24Å; P62-P97 VanDerWaalsContact O-CA 3.31Å; P62-P97 WeakPolarHBondContact O-CA 3.31Å; P62-P97 WeakPolarHBondContact O-CB 3.3Å
63F95.4Very high96.8Very high161 Ų16150.6 Ų50.671%0.70625%0.252SS*.SBendtrans-74.7-22179.9-57.9-73.1000113E60 P97E60-F63 WeakPolarHBondContact O-CA 3.29Å; E60-F63 WeakPolarHBondContact O-CB 3.32Å; E60-F63 WeakPolarHBondContact O-CD2 3.5Å; E60-F63 PolarHBondContact O-N 2.96Å; F63-P97 HydrophobicContact CD1-CG 4.32Å
64K95.8Very high96.8Very high107 Ų10751 Ų5147%0.46525%0.254SS..SBendtrans-116.3144.8168.9-69.9-177.5-178.3169.30110.4P58 E60 P62P58-K64 HydrophobicContact CB-CB 4.15Å; P58-K64 HydrophobicContact CG-CB 3.51Å; E60-K64 HydrophobicContact CB-CB 4.49Å; E60-K64 HydrophobicContact CB-CD 4.14Å; E60-K64 HydrophobicContact CB-CG 4.2Å; E60-K64 HydrophobicContact CG-CD 4.4Å; E60-K64 IonicContact OE1-NZ 3.88Å; E60-K64 PolarHBondContact OE1-NZ 3.27Å; P62-K64 VanDerWaalsContact C-N 3.3Å
65P96.9Very high96.8Very high29 Ų2951.2 Ų51.219%0.18825%0.254CS..  trans-68.5155.1-179.526.4-33.2000112.4P58 I90 W95P58-P65 VanDerWaalsContact CD-O 3.25Å; P58-P65 WeakPolarHBondContact CD-O 3.43Å; P58-P65 WeakPolarHBondContact CG-O 3.18Å; P65-I90 HydrophobicContact CB-CB 4.02Å; P65-I90 VanDerWaalsContact CB-O 3.26Å; P65-I90 WeakPolarHBondContact CB-O 3.37Å; P65-I90 VanDerWaalsContact CG-O 3.3Å; P65-I90 WeakPolarHBondContact CG-O 3.27Å; P65-W95 HydrophobicContact CB-CB 4.04Å; P65-W95 HydrophobicContact CB-CD2 3.53Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.66Å; P65-W95 HydrophobicContact CB-CZ3 4.39Å; P65-W95 HydrophobicContact CG-CB 4.17Å; P65-W95 HydrophobicContact CG-CD2 4.45Å; P65-W95 HydrophobicContact CG-CG 4.09Å
66P97.3Very high96.8Very high2 Ų251.2 Ų51.21%0.01325%0.254CS..  trans-68.2157.2166.730.7-33.1000111.2I55 N56 F57 I90I55-P66 HydrophobicContact CG2-CB 3.83Å; N56-P66 WeakPolarHBondContact O-CA 3.44Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.45Å; F57-P66 HydrophobicContact CE1-CB 3.8Å; F57-P66 HydrophobicContact CE1-CG 4.25Å; F57-P66 HydrophobicContact CG-CB 4.42Å; P66-I90 HydrophobicContact CG-CG2 4.01Å
67K96.8Very high96.8Very high159 Ų15948.8 Ų48.869%0.69124%0.241SC*.EExtended strand (participates in β ladder)trans-107.9137.4168.5-66.7-175.4179.4-177.60109.6I55 N56I55-K67 WeakPolarHBondContact CA-O 3.44Å; N56-K67 PolarHBondContact N-O 3.27Å; N56-K67 PolarHBondContact O-N 3.02Å
68I97.7Very high96.9Very high10 Ų1048.5 Ų48.55%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-116.3134.2178.2-51.9174.7000109.4I53 E54 I55 V85 L87 I90 V104 L108I53-I68 HydrophobicContact CB-CG2 4.13Å; I53-I68 HydrophobicContact CD1-CG2 4.1Å; I53-I68 HydrophobicContact CG2-CG2 4.5Å; E54-I68 WeakPolarHBondContact O-CA 3.27Å; I55-I68 HydrophobicContact CG1-CG1 4.3Å; I55-I68 HydrophobicContact CG2-CG1 4.34Å; I68-V85 HydrophobicContact CB-CG1 4.16Å; I68-L87 HydrophobicContact CD1-CD2 4.46Å; I68-I90 HydrophobicContact CD1-CD1 4.16Å; I68-I90 HydrophobicContact CG1-CD1 4.17Å; I68-V104 HydrophobicContact CD1-CG1 3.57Å; I68-L108 HydrophobicContact CD1-CD2 3.93Å; I68-L108 HydrophobicContact CG2-CD2 3.77Å
69T97.9Very high97Very high39 Ų3947 Ų4724%0.23923%0.23CC..EExtended strand (participates in β ladder)trans-132.3130.8175.3-54.40000110I53 E54 G83I53-T69 CarbonylContact C-O 3.57Å; I53-T69 WeakPolarHBondContact CA-O 3.41Å; E54-T69 PolarHBondContact N-O 2.69Å; E54-T69 PolarHBondContact O-N 3.24Å; T69-G83 CarbonylContact C-O 3.48Å; T69-G83 WeakPolarHBondContact CA-O 3.24Å
70F98.3Very high97.1Very high9 Ų945 Ų454%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-72.3125.4169.2-75.5-104.3000110I39 F51 I53 I74 I79 G83 V85 L108 V112I39-F70 HydrophobicContact CD1-CE1 4.07Å; I39-F70 HydrophobicContact CD1-CZ 3.97Å; F51-F70 HydrophobicContact CB-CD1 4.08Å; F51-F70 HydrophobicContact CB-CE1 4.04Å; I53-F70 HydrophobicContact CG2-CD1 3.72Å; I53-F70 HydrophobicContact CG2-CD2 4.18Å; I53-F70 HydrophobicContact CG2-CE1 3.68Å; I53-F70 HydrophobicContact CG2-CE2 4.15Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.9Å; F70-I74 HydrophobicContact CD1-CG2 4.24Å; F70-I74 HydrophobicContact CE1-CD1 4.46Å; F70-I79 HydrophobicContact CD1-CD1 4.36Å; F70-I79 HydrophobicContact CD2-CD1 3.96Å; F70-I79 HydrophobicContact CD2-CG1 4.38Å; F70-I79 HydrophobicContact CD2-CG2 3.88Å; F70-I79 HydrophobicContact CE1-CD1 3.9Å; F70-I79 HydrophobicContact CE2-CD1 3.45Å; F70-I79 VanDerWaalsContact CE2-CD1 3.45Å; F70-I79 HydrophobicContact CE2-CG1 4.05Å; F70-I79 HydrophobicContact CE2-CG2 4.4Å; F70-I79 HydrophobicContact CG-CD1 4.4Å; F70-I79 HydrophobicContact CG-CG2 4.23Å; F70-I79 HydrophobicContact CZ-CD1 3.43Å; F70-I79 VanDerWaalsContact CZ-CD1 3.43Å; F70-I79 HydrophobicContact CZ-CG1 4.47Å; F70-G83 PolarHBondContact N-O 3.03Å; F70-V85 HydrophobicContact CE2-CB 4.28Å; F70-V85 HydrophobicContact CE2-CG1 4.37Å; F70-L108 HydrophobicContact CE2-CD1 3.95Å; F70-L108 HydrophobicContact CE2-CD2 4.33Å; F70-L108 HydrophobicContact CZ-CD1 4.03Å; F70-L108 HydrophobicContact CZ-CD2 4.29Å; F70-L108 HydrophobicContact CZ-CG 4.35Å; F70-V112 HydrophobicContact CE1-CG2 4.31Å; F70-V112 HydrophobicContact CZ-CG2 3.83Å
71K97.8Very high97.1Very high104 Ų10448.2 Ų48.245%0.45222%0.223SC..SBendtrans-89.7-30.5171.7-59.8-64.2-179.9169.80111.2R52 E54R52-K71 HydrophobicContact CB-CB 4.23Å; R52-K71 HydrophobicContact CG-CB 4.18Å; R52-K71 PolarHBondContact O-N 3.48Å; E54-K71 HydrophobicContact CB-CD 4.41Å; E54-K71 HydrophobicContact CB-CG 4.18Å; E54-K71 VanDerWaalsContact OE1-CE 3.25Å; E54-K71 WeakPolarHBondContact OE1-CE 3.37Å; E54-K71 IonicContact OE1-NZ 2.73Å; E54-K71 PolarHBondContact OE1-NZ 2.99Å; E54-K71 WeakPolarHBondContact OE2-CE 3.24Å; E54-K71 IonicContact OE2-NZ 2.79Å; E54-K71 PolarHBondContact OE2-NZ 2.77Å; E54-K71 VanDerWaalsContact OE2-NZ 3.1Å
72T97.8Very high97.2Very high11 Ų1155.9 Ų55.97%0.06726%0.257CS..SBendtrans-86.1131.2170.9-53.30000109.6F51 R52 Y147 E149F51-T72 HydrophobicContact CD1-CG2 3.88Å; R52-T72 VanDerWaalsContact CB-OG1 3.31Å; R52-T72 WeakPolarHBondContact CB-OG1 3.44Å; R52-T72 PolarHBondContact N-OG1 3.01Å; R52-T72 PolarHBondContact O-N 3.35Å; T72-Y147 WeakPolarHBondContact CG2-O 3.14Å; T72-E149 HydrophobicContact CG2-CG 4.16Å; T72-E149 WeakPolarHBondContact OG1-CG 3.44Å
73K97.7Very high97.2Very high126 Ų12655.3 Ų55.355%0.54825%0.254SS..  trans-63.2140.5175.7-60.2-173.8176.8-170.70109.9F143 Y147K73-F143 HydrophobicContact CB-CE1 3.63Å; K73-F143 HydrophobicContact CB-CZ 3.87Å; K73-F143 HydrophobicContact CD-CZ 4.45Å; K73-Y147 HydrophobicContact CB-CG 4.32Å; K73-Y147 HydrophobicContact CD-CD1 4.2Å; K73-Y147 HydrophobicContact CD-CE1 4.39Å; K73-Y147 HydrophobicContact CD-CG 4.43Å
74I98.1Very high97.3Very high9 Ų953 Ų535%0.04625%0.245CC..  trans-137.2144.7177.9-169171.3000110.8Y46 F51 F70 H76 I79 V112Y46-I74 HydrophobicContact CD1-CD1 4.15Å; Y46-I74 HydrophobicContact CD1-CG1 4.19Å; Y46-I74 HydrophobicContact CE1-CD1 4.2Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.84Å; F51-I74 HydrophobicContact CD1-CG1 3.89Å; F51-I74 HydrophobicContact CD2-CD1 4.19Å; F51-I74 HydrophobicContact CE1-CB 3.7Å; F51-I74 HydrophobicContact CE1-CD1 3.76Å; F51-I74 HydrophobicContact CE1-CG1 3.49Å; F51-I74 VanDerWaalsContact CE1-CG1 3.49Å; F51-I74 HydrophobicContact CE2-CD1 4.14Å; F51-I74 HydrophobicContact CG-CD1 4.05Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.89Å; F70-I74 HydrophobicContact CD1-CG2 4.24Å; F70-I74 HydrophobicContact CE1-CD1 4.46Å; I74-H76 HydrophobicContact CD1-CB 4.26Å; I74-H76 HydrophobicContact CG1-CB 4.09Å; I74-H76 HydrophobicContact CG2-CB 4.22Å; I74-H76 PolarHBondContact O-N 2.89Å; I74-I79 HydrophobicContact CD1-CD1 4.15Å; I74-I79 HydrophobicContact CG2-CB 3.92Å; I74-I79 HydrophobicContact CG2-CD1 3.58Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.7Å; I74-V112 HydrophobicContact CD1-CG1 4.26Å
75Y98.1Very high97.2Very high30 Ų3048.8 Ų48.812%0.11823%0.229CC..  trans-94.987.3174.4-167.3-87.2000109.1Y46 L125 E128 F136 N139 A140 F143Y46-Y75 VanDerWaalsContact CE1-O 3.24Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.32Å; Y46-Y75 PolarHBondContact OH-O 3.28Å; Y75-L125 HydrophobicContact CD1-CD1 3.94Å; Y75-L125 HydrophobicContact CD1-CD2 4.48Å; Y75-L125 HydrophobicContact CD2-CD1 4.17Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 3.98Å; Y75-L125 HydrophobicContact CE1-CD2 3.72Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.18Å; Y75-L125 HydrophobicContact CE2-CD2 3.59Å; Y75-L125 HydrophobicContact CG-CD1 4.07Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.35Å; Y75-E128 PolarHBondContact OH-OE2 2.78Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.86Å; Y75-F136 HydrophobicContact CD1-CE2 3.86Å; Y75-F136 HydrophobicContact CD1-CZ 4.16Å; Y75-F136 AromaticContact CE1-CD2 3.73Å; Y75-F136 HydrophobicContact CE1-CD2 3.73Å; Y75-F136 AromaticContact CE1-CE2 3.68Å; Y75-F136 HydrophobicContact CE1-CE2 3.68Å; Y75-F136 HydrophobicContact CE1-CG 4.49Å; Y75-F136 HydrophobicContact CE1-CZ 4.39Å; Y75-N139 HydrophobicContact CE1-CB 3.94Å; Y75-N139 HydrophobicContact CE2-CB 4.34Å; Y75-A140 HydrophobicContact CD1-CB 3.76Å; Y75-A140 HydrophobicContact CG-CB 4.38Å; Y75-F143 HydrophobicContact CD2-CB 4.47Å; Y75-F143 HydrophobicContact CD2-CD2 4.1Å; Y75-F143 HydrophobicContact CD2-CG 4.3Å; Y75-F143 HydrophobicContact CG-CB 4.41Å; Y75-F143 HydrophobicContact CG-CG 4.47Å
76H98Very high96.8Very high0 Ų051 Ų510%025%0.245CC..  trans-143.5134.1-171.8-165.8-80.8000110.9Y46 I74 N78 I79 L111 P115Y46-H76 AromaticContact CE2-CD2 3.66Å; Y46-H76 AromaticContact CZ-CD2 3.55Å; Y46-H76 PolarHBondContact OH-CD2 3.47Å; Y46-H76 VanDerWaalsContact OH-CD2 3.24Å; I74-H76 HydrophobicContact CD1-CB 4.26Å; I74-H76 HydrophobicContact CG1-CB 4.09Å; I74-H76 HydrophobicContact CG2-CB 4.22Å; I74-H76 PolarHBondContact O-N 2.89Å; H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact CE1-OD1 3.34Å; H76-N78 PolarHBondContact ND1-N 3.46Å; H76-N78 PolarHBondContact O-N 2.94Å; H76-I79 HydrophobicContact CB-CB 4.16Å; H76-I79 HydrophobicContact CB-CD1 3.95Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 2.95Å; H76-L111 PolarHBondContact CE1-O 3.48Å; H76-L111 VanDerWaalsContact CE1-O 3.27Å; H76-L111 PolarHBondContact NE2-O 3.28Å; H76-P115 WeakPolarHBondContact NE2-CG 3.34Å
77P97.6Very high96.6Very high0 Ų051.2 Ų51.20%025%0.245CC..THydrogen-bonded Turntrans-65.5-29.3-176.625.6-34.2000113.3P115 P120 L121 R122 L125 A126P77-P115 HydrophobicContact CG-CB 3.57Å; P77-P120 HydrophobicContact CB-CB 4.32Å; P77-P120 CarbonylContact O-C 3.58Å; P77-P120 WeakPolarHBondContact O-CA 3.38Å; P77-L121 PolarHBondContact O-N 3.03Å; P77-R122 PolarHBondContact O-N 2.87Å; P77-L125 HydrophobicContact CB-CB 4.14Å; P77-A126 HydrophobicContact CB-CB 3.94Å
78N97.5Very high96.4Very high4 Ų446.8 Ų46.82%0.02123%0.233CC..THydrogen-bonded Turntrans-91.36.3179.5-49.496.7000114.9H76 L111 Q116 H119 L121H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact CE1-OD1 3.34Å; H76-N78 PolarHBondContact ND1-N 3.46Å; H76-N78 PolarHBondContact O-N 2.94Å; N78-L111 HydrophobicContact CB-CD1 3.97Å; N78-L111 HydrophobicContact CB-CD2 4.07Å; N78-L111 HydrophobicContact CB-CG 4.19Å; N78-Q116 PolarHBondContact ND2-O 2.76Å; N78-Q116 PolarHBondContact OD1-N 2.97Å; N78-H119 PolarHBondContact ND2-O 3.21Å; N78-L121 WeakPolarHBondContact O-CD1 3.37Å
79I97.7Very high96.2Very high0 Ų048.2 Ų48.20%024%0.242CC..BIsolated β-bridgetrans-128.5126.2179.8-55.8167.6000108.5F70 I74 H76 Q84 V85 V112 R122F70-I79 HydrophobicContact CD1-CD1 4.36Å; F70-I79 HydrophobicContact CD2-CD1 3.96Å; F70-I79 HydrophobicContact CD2-CG1 4.38Å; F70-I79 HydrophobicContact CD2-CG2 3.88Å; F70-I79 HydrophobicContact CE1-CD1 3.9Å; F70-I79 HydrophobicContact CE2-CD1 3.45Å; F70-I79 VanDerWaalsContact CE2-CD1 3.45Å; F70-I79 HydrophobicContact CE2-CG1 4.05Å; F70-I79 HydrophobicContact CE2-CG2 4.4Å; F70-I79 HydrophobicContact CG-CD1 4.4Å; F70-I79 HydrophobicContact CG-CG2 4.23Å; F70-I79 HydrophobicContact CZ-CD1 3.43Å; F70-I79 VanDerWaalsContact CZ-CD1 3.43Å; F70-I79 HydrophobicContact CZ-CG1 4.47Å; I74-I79 HydrophobicContact CD1-CD1 4.15Å; I74-I79 HydrophobicContact CG2-CB 3.92Å; I74-I79 HydrophobicContact CG2-CD1 3.58Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.7Å; H76-I79 HydrophobicContact CB-CB 4.16Å; H76-I79 HydrophobicContact CB-CD1 3.95Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 2.95Å; I79-Q84 VanDerWaalsContact CA-O 3.32Å; I79-Q84 WeakPolarHBondContact CA-O 3.46Å; I79-V85 HydrophobicContact CG1-CB 4.3Å; I79-V85 HydrophobicContact CG1-CG2 4.2Å; I79-V112 HydrophobicContact CD1-CG2 4.34Å; I79-R122 WeakPolarHBondContact O-CD 3.43Å
80D96.4Very high96Very high35 Ų3547.3 Ų47.319%0.18724%0.235CC..  trans-77.2172.4179.985.2-3.2000112.4K82 G83 Q84 L121D80-K82 PolarHBondContact O-N 3.21Å; D80-K82 VanDerWaalsContact OD1-C 3.24Å; D80-K82 VanDerWaalsContact OD1-CA 3.27Å; D80-K82 WeakPolarHBondContact OD1-CA 3.31Å; D80-K82 WeakPolarHBondContact OD1-CB 3.16Å; D80-K82 PolarHBondContact OD1-N 2.92Å; D80-G83 PolarHBondContact O-N 3.29Å; D80-G83 PolarHBondContact OD1-N 2.74Å; D80-Q84 PolarHBondContact N-O 3.41Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.41Å; D80-Q84 PolarHBondContact OD1-N 2.87Å; D80-L121 HydrophobicContact CB-CB 4.31Å; D80-L121 HydrophobicContact CB-CD1 4.33Å
81E95.8Very high95.8Very high155 Ų15548.5 Ų48.572%0.72425%0.245SC*.THydrogen-bonded Turntrans-68.5-15.2-179.8-59.9-166.2147.800114.2G83 R122E81-G83 VanDerWaalsContact C-N 3.31Å; E81-R122 IonicContact OE1-CZ 2.63Å; E81-R122 IonicContact OE1-NH2 2.7Å
82K96.3Very high95.5Very high166 Ų16648 Ų4872%0.72226%0.26SS*.THydrogen-bonded Turntrans-89.6-0.6174.2-60.8177.4-178.11740111.9D80 Q84D80-K82 PolarHBondContact O-N 3.21Å; D80-K82 VanDerWaalsContact OD1-C 3.24Å; D80-K82 VanDerWaalsContact OD1-CA 3.27Å; D80-K82 WeakPolarHBondContact OD1-CA 3.31Å; D80-K82 WeakPolarHBondContact OD1-CB 3.16Å; D80-K82 PolarHBondContact OD1-N 2.92Å; K82-Q84 HydrophobicContact CB-CG 4.35Å
83G96.7Very high95.3Very high6 Ų656 Ų566%0.06230%0.297CS..  trans81.412.7-178.800000114.4T69 F70 D80 E81T69-G83 CarbonylContact C-O 3.48Å; T69-G83 WeakPolarHBondContact CA-O 3.24Å; F70-G83 PolarHBondContact N-O 3.03Å; D80-G83 PolarHBondContact O-N 3.29Å; D80-G83 PolarHBondContact OD1-N 2.74Å; E81-G83 VanDerWaalsContact C-N 3.31Å
84Q96.3Very high95.1Very high111 Ų11154.3 Ų54.352%0.51929%0.294SS..BIsolated β-bridgetrans-74.1142.9174.6-54.5-171.4-16.500110.2I79 D80 K82 L121I79-Q84 VanDerWaalsContact CA-O 3.32Å; I79-Q84 WeakPolarHBondContact CA-O 3.46Å; D80-Q84 PolarHBondContact N-O 3.41Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.41Å; D80-Q84 PolarHBondContact OD1-N 2.87Å; K82-Q84 HydrophobicContact CB-CG 4.35Å; Q84-L121 VanDerWaalsContact O-CD1 3.26Å; Q84-L121 WeakPolarHBondContact O-CD1 3.36Å
85V95.5Very high95.1Very high20 Ų2055.1 Ų55.112%0.12130%0.296CS..BIsolated β-bridgetrans-127.4135.5178.760.20000109.9I68 F70 I79 L108 L111I68-V85 HydrophobicContact CB-CG1 4.16Å; F70-V85 HydrophobicContact CE2-CB 4.28Å; F70-V85 HydrophobicContact CE2-CG1 4.37Å; I79-V85 HydrophobicContact CG1-CB 4.3Å; I79-V85 HydrophobicContact CG1-CG2 4.2Å; V85-L108 HydrophobicContact CB-CD1 4.45Å; V85-L108 HydrophobicContact CG1-CD1 4.12Å; V85-L108 HydrophobicContact CG2-CD1 3.85Å; V85-L111 HydrophobicContact CG2-CD2 3.57Å
86C88Confident95Very high76 Ų7660.7 Ų60.751%0.51432%0.321SS..  trans-90.1103.7169.4-170.10000108.1L121C86-L121 HydrophobicContact CB-CD1 4.37Å; C86-L121 HydrophobicContact CB-CD2 4.21Å; C86-L121 HydrophobicContact CB-CG 4.33Å
87L93.1Very high94.8Very high6 Ų663.2 Ų63.23%0.03134%0.337CS..  trans-117111.6179.6-168.674.4000109.1I68 V89 I90 S91 V104 L108 L111I68-L87 HydrophobicContact CD1-CD2 4.46Å; L87-V89 HydrophobicContact CD2-CG1 3.67Å; L87-V89 HydrophobicContact CG-CG1 3.88Å; L87-V89 PolarHBondContact O-N 3.18Å; L87-V89 VanDerWaalsContact O-N 3.07Å; L87-I90 HydrophobicContact CB-CD1 4.11Å; L87-I90 HydrophobicContact CB-CG1 3.88Å; L87-I90 HydrophobicContact CD2-CD1 4.4Å; L87-I90 HydrophobicContact CD2-CG1 4.35Å; L87-I90 VanDerWaalsContact O-CG1 3.24Å; L87-I90 WeakPolarHBondContact O-CG1 3.39Å; L87-I90 PolarHBondContact O-N 3.39Å; L87-S91 PolarHBondContact O-N 2.91Å; L87-V104 HydrophobicContact CD2-CG1 4.04Å; L87-L108 HydrophobicContact CD2-CB 4.11Å; L87-L111 HydrophobicContact CD1-CB 4.29Å; L87-L111 HydrophobicContact CD1-CD2 3.87Å
88P91.6Very high94.7Very high66 Ų6667.3 Ų67.343%0.42937%0.371SS..G310 helixtrans-55.6-31.9-171.5-30.135.6000114.7I90 S91 N94P88-I90 PolarHBondContact O-N 3.17Å; P88-S91 PolarHBondContact O-N 2.91Å; P88-S91 PolarHBondContact O-OG 2.93Å; P88-N94 VanDerWaalsContact O-CB 3.27Å; P88-N94 WeakPolarHBondContact O-CB 3.25Å; P88-N94 PolarHBondContact O-ND2 3.31Å
89V93.6Very high94.7Very high40 Ų4067.9 Ų67.924%0.24238%0.375CS..G310 helixtrans-67.7-20.4-17874.60000113.8L87 T99 V104L87-V89 HydrophobicContact CD2-CG1 3.67Å; L87-V89 HydrophobicContact CG-CG1 3.88Å; L87-V89 PolarHBondContact O-N 3.18Å; L87-V89 VanDerWaalsContact O-N 3.07Å; V89-T99 HydrophobicContact CG2-CG2 3.95Å; V89-V104 HydrophobicContact CG1-CG2 4.22Å
90I94.2Very high94.6Very high19 Ų1971.6 Ų71.610%0.09739%0.391CS..G310 helixtrans-113.69.1177.660.3169.9000112.7P65 P66 I68 L87 P88 W95 V104P65-I90 HydrophobicContact CB-CB 4.02Å; P65-I90 VanDerWaalsContact CB-O 3.26Å; P65-I90 WeakPolarHBondContact CB-O 3.37Å; P65-I90 VanDerWaalsContact CG-O 3.3Å; P65-I90 WeakPolarHBondContact CG-O 3.27Å; P66-I90 HydrophobicContact CG-CG2 4.01Å; I68-I90 HydrophobicContact CD1-CD1 4.16Å; I68-I90 HydrophobicContact CG1-CD1 4.17Å; L87-I90 HydrophobicContact CB-CD1 4.11Å; L87-I90 HydrophobicContact CB-CG1 3.88Å; L87-I90 HydrophobicContact CD2-CD1 4.4Å; L87-I90 HydrophobicContact CD2-CG1 4.35Å; L87-I90 VanDerWaalsContact O-CG1 3.24Å; L87-I90 WeakPolarHBondContact O-CG1 3.39Å; L87-I90 PolarHBondContact O-N 3.39Å; P88-I90 PolarHBondContact O-N 3.17Å; I90-W95 HydrophobicContact CG2-CE3 4.24Å; I90-W95 HydrophobicContact CG2-CZ3 4.07Å; I90-V104 HydrophobicContact CG2-CB 4.29Å; I90-V104 HydrophobicContact CG2-CG1 3.58Å; I90-V104 HydrophobicContact CG2-CG2 3.64Å
91S93.7Very high94.5Very high35 Ų3569.9 Ų69.925%0.24538%0.382CS..SBendtrans-65.4145.7171.478.50000109.4L87 P88 E93 N94 W95L87-S91 PolarHBondContact O-N 2.91Å; P88-S91 PolarHBondContact O-N 2.91Å; P88-S91 PolarHBondContact O-OG 2.93Å; S91-E93 PolarHBondContact O-N 2.83Å; S91-E93 VanDerWaalsContact O-N 3.14Å; S91-N94 PolarHBondContact O-N 2.99Å; S91-N94 VanDerWaalsContact O-N 3.14Å; S91-N94 WeakPolarHBondContact OG-CB 3.44Å; S91-N94 PolarHBondContact OG-N 3.22Å; S91-N94 PolarHBondContact OG-ND2 2.66Å; S91-N94 VanDerWaalsContact OG-ND2 3.14Å; S91-W95 VanDerWaalsContact O-CB 3.31Å; S91-W95 WeakPolarHBondContact O-CB 3.4Å; S91-W95 PolarHBondContact O-N 3.26Å
92A92.1Very high94.4Very high92 Ų9264.5 Ų64.576%0.7636%0.358SS*.THydrogen-bonded Turntrans-58.4-29.5-17900000112.7
93E92.7Very high94.4Very high181 Ų18161.1 Ų61.185%0.84635%0.345SS*.THydrogen-bonded Turntrans-75-34.1179.7-62177.917200113S91S91-E93 PolarHBondContact O-N 2.83Å; S91-E93 VanDerWaalsContact O-N 3.14Å
94N94.5Very high94.4Very high90 Ų9060.9 Ų60.948%0.48134%0.342SS..THydrogen-bonded Turntrans-103.1-12.1-175.4-65-35.1000113.7P88 S91 K96P88-N94 VanDerWaalsContact O-CB 3.27Å; P88-N94 WeakPolarHBondContact O-CB 3.25Å; P88-N94 PolarHBondContact O-ND2 3.31Å; S91-N94 PolarHBondContact O-N 2.99Å; S91-N94 VanDerWaalsContact O-N 3.14Å; S91-N94 WeakPolarHBondContact OG-CB 3.44Å; S91-N94 PolarHBondContact OG-N 3.22Å; S91-N94 PolarHBondContact OG-ND2 2.66Å; S91-N94 VanDerWaalsContact OG-ND2 3.14Å; N94-K96 PolarHBondContact O-N 3.14Å
95W96.9Very high94.3Very high25 Ų2555.6 Ų55.610%0.09532%0.317CS..  trans-61.4127.5-175176.9-108.6000111.4Y61 P62 P65 I90 S91 T99 V104Y61-W95 HydrophobicContact CD2-CZ2 4.2Å; Y61-W95 AromaticContact CE2-CH2 3.84Å; Y61-W95 HydrophobicContact CE2-CH2 3.84Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å; P62-W95 PolarHBondContact O-NE1 3.33Å; P65-W95 HydrophobicContact CB-CB 4.04Å; P65-W95 HydrophobicContact CB-CD2 3.53Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.66Å; P65-W95 HydrophobicContact CB-CZ3 4.39Å; P65-W95 HydrophobicContact CG-CB 4.17Å; P65-W95 HydrophobicContact CG-CD2 4.45Å; P65-W95 HydrophobicContact CG-CG 4.09Å; I90-W95 HydrophobicContact CG2-CE3 4.24Å; I90-W95 HydrophobicContact CG2-CZ3 4.07Å; S91-W95 VanDerWaalsContact O-CB 3.31Å; S91-W95 WeakPolarHBondContact O-CB 3.4Å; S91-W95 PolarHBondContact O-N 3.26Å; W95-T99 HydrophobicContact CE3-CG2 4.37Å; W95-T99 HydrophobicContact CH2-CG2 4.18Å; W95-T99 HydrophobicContact CZ3-CG2 3.64Å; W95-V104 HydrophobicContact CZ3-CG2 4.18Å
96K96Very high94.3Very high147 Ų14759.7 Ų59.764%0.63934%0.335SS*.  trans-114.7130.4172.5-64.8178.1-175.8176.60107.9N94 A98 T99N94-K96 PolarHBondContact O-N 3.14Å; K96-A98 PolarHBondContact O-N 2.82Å; K96-T99 VanDerWaalsContact O-CB 3.27Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.27Å; K96-T99 PolarHBondContact O-OG1 3.41Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å
97P95.2Very high94.7Very high54 Ų5458.2 Ų58.235%0.35133%0.325SS..THydrogen-bonded Turntrans-57.7-17.5176.2-27.635.5000114.2R6 P62 F63 T99R6-P97 PolarHBondContact NH1-O 3.23Å; R6-P97 PolarHBondContact NH2-O 2.91Å; P62-P97 HydrophobicContact CB-CB 4.22Å; P62-P97 HydrophobicContact CG-CB 4.24Å; P62-P97 VanDerWaalsContact O-CA 3.31Å; P62-P97 WeakPolarHBondContact O-CA 3.31Å; P62-P97 WeakPolarHBondContact O-CB 3.3Å; F63-P97 HydrophobicContact CD1-CG 4.32Å; P97-T99 VanDerWaalsContact C-N 3.34Å
98A95.9Very high94.9Very high85 Ų8557.9 Ų57.970%0.70232%0.324SS*.THydrogen-bonded Turntrans-76.9-16.9174.300000114K96 K100K96-A98 PolarHBondContact O-N 2.82Å; A98-K100 PolarHBondContact O-N 3.07Å
99T96.2Very high95.1Very high16 Ų1655.4 Ų55.410%0.09831%0.307CS..  trans-63.3129.4178.5-58.40000110R6 V89 W95 K96 P97 V104R6-T99 PolarHBondContact NH2-O 3.29Å; V89-T99 HydrophobicContact CG2-CG2 3.95Å; W95-T99 HydrophobicContact CE3-CG2 4.37Å; W95-T99 HydrophobicContact CH2-CG2 4.18Å; W95-T99 HydrophobicContact CZ3-CG2 3.64Å; K96-T99 VanDerWaalsContact O-CB 3.27Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.27Å; K96-T99 PolarHBondContact O-OG1 3.41Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å; P97-T99 VanDerWaalsContact C-N 3.34Å; T99-V104 HydrophobicContact CG2-CG2 3.87Å
100K95.2Very high95.2Very high78 Ų7856 Ų5634%0.33932%0.316SS..  trans-94.7157178.7-70.4-172.1174.3-164.50111.5E13 A98 D102 Q103 V104E13-K100 IonicContact OE1-NZ 3.99Å; E13-K100 IonicContact OE2-NZ 3.9Å; E13-K100 PolarHBondContact OE2-NZ 3.27Å; A98-K100 PolarHBondContact O-N 3.07Å; K100-D102 VanDerWaalsContact C-N 3.31Å; K100-D102 WeakPolarHBondContact CB-OD1 3.26Å; K100-D102 PolarHBondContact O-N 3.07Å; K100-Q103 HydrophobicContact CB-CG 4.48Å; K100-Q103 WeakPolarHBondContact O-CB 3.5Å; K100-Q103 PolarHBondContact O-N 3.45Å; K100-V104 WeakPolarHBondContact O-CG2 3.36Å; K100-V104 PolarHBondContact O-N 2.86Å
101T95.3Very high95.3Very high0 Ų055.5 Ų55.50%031%0.313CS..Hα-helixtrans-64.3-34.3-178.7-55.20000112.4E10 I14 W35 I55 F57 Q103 V104 I105E10-T101 WeakPolarHBondContact OE2-CB 3.46Å; E10-T101 PolarHBondContact OE2-N 3.22Å; E10-T101 PolarHBondContact OE2-OG1 2.96Å; I14-T101 HydrophobicContact CD1-CG2 4.18Å; W35-T101 HydrophobicContact CE3-CG2 4.3Å; W35-T101 HydrophobicContact CZ3-CG2 3.89Å; I55-T101 HydrophobicContact CD1-CG2 4.27Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 WeakPolarHBondContact CE1-OG1 3.27Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å; T101-Q103 PolarHBondContact O-N 3.48Å; T101-V104 WeakPolarHBondContact O-CB 3.37Å; T101-V104 PolarHBondContact O-N 3.29Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.33Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.27Å; T101-I105 PolarHBondContact O-N 3.47Å
102D94.5Very high95.4Very high42 Ų4253.9 Ų53.923%0.22530%0.302CS..Hα-helixtrans-60.9-42.7175.763.7-22.6000112I14 K100 V104 I105 Q106I14-D102 HydrophobicContact CD1-CB 4.25Å; I14-D102 HydrophobicContact CG1-CB 3.93Å; K100-D102 VanDerWaalsContact C-N 3.31Å; K100-D102 WeakPolarHBondContact CB-OD1 3.26Å; K100-D102 PolarHBondContact O-N 3.07Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 2.89Å; D102-I105 PolarHBondContact O-N 3.21Å; D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.28Å; D102-Q106 WeakPolarHBondContact O-CG 2.93Å; D102-Q106 PolarHBondContact O-N 3.27Å
103Q95Very high95.5Very high95 Ų9550.5 Ų50.544%0.44427%0.271SS..Hα-helixtrans-61.9-41.1174.7-63.9175.7-29.300111.3K100 T101 Q106 S107K100-Q103 HydrophobicContact CB-CG 4.48Å; K100-Q103 WeakPolarHBondContact O-CB 3.5Å; K100-Q103 PolarHBondContact O-N 3.45Å; T101-Q103 PolarHBondContact O-N 3.48Å; Q103-Q106 PolarHBondContact O-N 3.48Å; Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.29Å
104V96.3Very high95.6Very high1 Ų146.8 Ų46.81%0.00626%0.257CS..Hα-helixtrans-63.3-46.2176175.50000110.7I68 L87 V89 I90 W95 T99 K100 T101 D102 S107 L108I68-V104 HydrophobicContact CD1-CG1 3.57Å; L87-V104 HydrophobicContact CD2-CG1 4.04Å; V89-V104 HydrophobicContact CG1-CG2 4.22Å; I90-V104 HydrophobicContact CG2-CB 4.29Å; I90-V104 HydrophobicContact CG2-CG1 3.58Å; I90-V104 HydrophobicContact CG2-CG2 3.64Å; W95-V104 HydrophobicContact CZ3-CG2 4.18Å; T99-V104 HydrophobicContact CG2-CG2 3.87Å; K100-V104 WeakPolarHBondContact O-CG2 3.36Å; K100-V104 PolarHBondContact O-N 2.86Å; T101-V104 WeakPolarHBondContact O-CB 3.37Å; T101-V104 PolarHBondContact O-N 3.29Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 2.89Å; V104-S107 PolarHBondContact O-N 2.73Å; V104-L108 PolarHBondContact O-N 2.81Å
105I95.9Very high95.6Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-63.2-45178-67.8162.7000110.6I14 M19 F22 I55 T101 D102 S107 L108 I109I14-I105 HydrophobicContact CD1-CD1 4.24Å; M19-I105 HydrophobicContact CE-CB 4.09Å; M19-I105 HydrophobicContact CE-CG2 3.56Å; M19-I105 HydrophobicContact SD-CG2 4.19Å; F22-I105 HydrophobicContact CB-CG2 3.92Å; F22-I105 HydrophobicContact CD1-CD1 3.87Å; F22-I105 HydrophobicContact CD1-CG2 4.09Å; F22-I105 HydrophobicContact CD2-CG2 4.14Å; F22-I105 HydrophobicContact CE1-CD1 3.65Å; F22-I105 HydrophobicContact CE1-CG1 4.5Å; F22-I105 HydrophobicContact CG-CG2 3.79Å; F22-I105 HydrophobicContact CZ-CD1 4.23Å; I55-I105 HydrophobicContact CD1-CD1 4.05Å; I55-I105 HydrophobicContact CD1-CG1 3.92Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.33Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.27Å; T101-I105 PolarHBondContact O-N 3.47Å; D102-I105 PolarHBondContact O-N 3.21Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.81Å; I105-L108 PolarHBondContact O-N 2.87Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.36Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.19Å; I105-I109 PolarHBondContact O-N 3.4Å
106Q94.9Very high95.5Very high106 Ų10645.5 Ų45.550%0.49525%0.25SS..Hα-helixtrans-60-43.9176.3-73.5174.86.800111.8M19 D102 Q103 L108 I109 A110M19-Q106 HydrophobicContact CE-CG 3.68Å; D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.28Å; D102-Q106 WeakPolarHBondContact O-CG 2.93Å; D102-Q106 PolarHBondContact O-N 3.27Å; Q103-Q106 PolarHBondContact O-N 3.48Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 2.85Å; Q106-I109 PolarHBondContact O-N 2.86Å; Q106-A110 PolarHBondContact O-N 3.33Å
107S95.9Very high95.4Very high44 Ų4440.3 Ų40.331%0.30823%0.232SC..Hα-helixtrans-62.3-39.9176.6-175.20000111.8Q103 V104 I105 A110 L111Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.29Å; V104-S107 PolarHBondContact O-N 2.73Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.81Å; S107-A110 PolarHBondContact O-N 2.84Å; S107-L111 PolarHBondContact O-N 2.95Å
108L96.9Very high95.3Very high0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-65.8-42.5175.7-179.460.4000112.5I39 I53 I68 F70 V85 L87 V104 I105 Q106 A110 L111 V112I39-L108 HydrophobicContact CD1-CD2 3.72Å; I39-L108 HydrophobicContact CD1-CG 3.93Å; I53-L108 HydrophobicContact CD1-CD2 3.85Å; I53-L108 HydrophobicContact CG2-CD2 4.46Å; I68-L108 HydrophobicContact CD1-CD2 3.93Å; I68-L108 HydrophobicContact CG2-CD2 3.77Å; F70-L108 HydrophobicContact CE2-CD1 3.95Å; F70-L108 HydrophobicContact CE2-CD2 4.33Å; F70-L108 HydrophobicContact CZ-CD1 4.03Å; F70-L108 HydrophobicContact CZ-CD2 4.29Å; F70-L108 HydrophobicContact CZ-CG 4.35Å; V85-L108 HydrophobicContact CB-CD1 4.45Å; V85-L108 HydrophobicContact CG1-CD1 4.12Å; V85-L108 HydrophobicContact CG2-CD1 3.85Å; L87-L108 HydrophobicContact CD2-CB 4.11Å; V104-L108 PolarHBondContact O-N 2.81Å; I105-L108 PolarHBondContact O-N 2.87Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 2.85Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-L111 WeakPolarHBondContact O-CB 3.41Å; L108-L111 PolarHBondContact O-N 3.45Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 2.92Å
109I95.7Very high95.1Very high13 Ų1345.7 Ų45.77%0.06724%0.237CC..Hα-helixtrans-64.4-40.7178.1-68.4166.5000110.6M19 N21 F22 I39 I105 Q106 L111 V112 N113M19-I109 HydrophobicContact CE-CD1 4.4Å; N21-I109 HydrophobicContact CB-CD1 3.85Å; N21-I109 HydrophobicContact CB-CG2 4.08Å; F22-I109 HydrophobicContact CB-CD1 4.22Å; I39-I109 HydrophobicContact CG1-CG1 4.45Å; I39-I109 HydrophobicContact CG2-CG1 4.15Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.36Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.19Å; I105-I109 PolarHBondContact O-N 3.4Å; Q106-I109 PolarHBondContact O-N 2.86Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-V112 PolarHBondContact O-N 3.14Å; I109-N113 WeakPolarHBondContact O-CB 3.28Å; I109-N113 PolarHBondContact O-N 3.29Å; I109-N113 PolarHBondContact O-ND2 3.14Å
110A95.9Very high95Very high52 Ų5247 Ų4743%0.4325%0.246SC..Hα-helixtrans-59.1-45.917300000111.2Q106 S107 L108 V112 N113 D114Q106-A110 PolarHBondContact O-N 3.33Å; S107-A110 PolarHBondContact O-N 2.84Å; L108-A110 VanDerWaalsContact C-N 3.33Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 2.86Å; A110-N113 PolarHBondContact O-N 3.15Å; A110-D114 PolarHBondContact O-N 3.4Å
111L95.9Very high95.1Very high10 Ų1047 Ų475%0.05225%0.249CC..Hα-helixtrans-61.2-38.1176.8-178.264.1000112.8H76 N78 V85 L87 S107 L108 I109 D114 Q116H76-L111 PolarHBondContact CE1-O 3.48Å; H76-L111 VanDerWaalsContact CE1-O 3.27Å; H76-L111 PolarHBondContact NE2-O 3.28Å; N78-L111 HydrophobicContact CB-CD1 3.97Å; N78-L111 HydrophobicContact CB-CD2 4.07Å; N78-L111 HydrophobicContact CB-CG 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.57Å; L87-L111 HydrophobicContact CD1-CB 4.29Å; L87-L111 HydrophobicContact CD1-CD2 3.87Å; S107-L111 PolarHBondContact O-N 2.95Å; L108-L111 WeakPolarHBondContact O-CB 3.41Å; L108-L111 PolarHBondContact O-N 3.45Å; I109-L111 VanDerWaalsContact C-N 3.34Å; L111-D114 CarbonylContact O-C 3.54Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å
112V96.5Very high95.2Very high1 Ų148.5 Ų48.51%0.00626%0.255CS..Hα-helixtrans-69.5-38.4177.6171.20000111.9I39 P41 Y46 F70 I74 I79 L108 I109 A110I39-V112 HydrophobicContact CD1-CG2 4.5Å; P41-V112 HydrophobicContact CB-CG1 4.23Å; P41-V112 HydrophobicContact CG-CG1 3.77Å; Y46-V112 HydrophobicContact CD2-CG1 4.36Å; Y46-V112 WeakPolarHBondContact CD2-O 3.28Å; Y46-V112 VanDerWaalsContact CE2-O 3.27Å; Y46-V112 WeakPolarHBondContact CE2-O 3.5Å; F70-V112 HydrophobicContact CE1-CG2 4.31Å; F70-V112 HydrophobicContact CZ-CG2 3.83Å; I74-V112 HydrophobicContact CD1-CG1 4.26Å; I79-V112 HydrophobicContact CD1-CG2 4.34Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 2.92Å; I109-V112 PolarHBondContact O-N 3.14Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 2.86Å
113N95.1Very high95.3Very high20 Ų2049.8 Ų49.811%0.10727%0.272CS..Hα-helixtrans-74.3-33.8178.7-81.1-34.6000112.2D42 N43 I109 A110D42-N113 PolarHBondContact N-OD1 3.15Å; N43-N113 HydrophobicContact CB-CB 4.3Å; N43-N113 PolarHBondContact N-OD1 3.32Å; I109-N113 WeakPolarHBondContact O-CB 3.28Å; I109-N113 PolarHBondContact O-N 3.29Å; I109-N113 PolarHBondContact O-ND2 3.14Å; A110-N113 PolarHBondContact O-N 3.15Å
114D94.5Very high95.4Very high103 Ų10349.7 Ų49.755%0.55127%0.274SS*.SBendtrans-128.386.3-176-63.9-58.6000110.9A110 L111A110-D114 PolarHBondContact O-N 3.4Å; L111-D114 CarbonylContact O-C 3.54Å
115P94.7Very high95.4Very high13 Ų1349.8 Ų49.88%0.08427%0.274CS..  trans-60.6140.7179.7-18.825.7000113.1Y46 H76 P77 P117 Y129Y46-P115 HydrophobicContact CE2-CG 4.33Å; H76-P115 WeakPolarHBondContact NE2-CG 3.34Å; P77-P115 HydrophobicContact CG-CB 3.57Å; P115-P117 WeakPolarHBondContact O-CD 3.4Å; P115-Y129 HydrophobicContact CB-CE1 4.24Å; P115-Y129 HydrophobicContact CB-CE2 3.85Å; P115-Y129 WeakPolarHBondContact CD-OH 3.25Å; P115-Y129 HydrophobicContact CG-CE2 3.67Å; P115-Y129 PolarHBondContact O-OH 2.89Å
116Q94.4Very high95.5Very high75 Ų7550 Ų5035%0.3528%0.276SS..  trans-106.486.8-177.9-68.8-178.2-29.800111.2N78 L111 E118 H119N78-Q116 PolarHBondContact ND2-O 2.76Å; N78-Q116 PolarHBondContact OD1-N 2.97Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å; Q116-E118 WeakPolarHBondContact CA-OE2 3.31Å; Q116-E118 PolarHBondContact O-N 2.87Å; Q116-H119 PolarHBondContact O-N 2.85Å
117P93.6Very high95.6Very high39 Ų3949.7 Ų49.725%0.25328%0.275SS..THydrogen-bonded Turntrans-66.2-15.3-175.528.8-37.1000114.7P115 H119 P120 A126 Y129 S130P115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-H119 VanDerWaalsContact C-N 3.32Å; P117-P120 WeakPolarHBondContact O-CD 3.46Å; P117-A126 HydrophobicContact CB-CB 4.14Å; P117-Y129 HydrophobicContact CB-CD1 3.83Å; P117-Y129 HydrophobicContact CB-CE1 4.33Å; P117-Y129 HydrophobicContact CG-CD1 3.78Å; P117-Y129 HydrophobicContact CG-CE1 3.84Å; P117-S130 WeakPolarHBondContact CB-OG 3.46Å
118E93.1Very high95.7Very high114 Ų11448.9 Ų48.953%0.53327%0.266SS..THydrogen-bonded Turntrans-72.5-23177.766.7-85-159.500113.5Q116Q116-E118 WeakPolarHBondContact CA-OE2 3.31Å; Q116-E118 PolarHBondContact O-N 2.87Å
119H91.8Very high95.7Very high137 Ų13750 Ų5063%0.63427%0.27SS*.SBendtrans-132.360.1-179.6-58.7-41.3000111.6N78 Q116 P117N78-H119 PolarHBondContact ND2-O 3.21Å; Q116-H119 PolarHBondContact O-N 2.85Å; P117-H119 VanDerWaalsContact C-N 3.32Å
120P94.6Very high95.7Very high44 Ų4453 Ų5329%0.28629%0.293SS..  trans-84.9148.6-172.336.8-34.2000111.9P77 P117 A126P77-P120 HydrophobicContact CB-CB 4.32Å; P77-P120 CarbonylContact O-C 3.58Å; P77-P120 WeakPolarHBondContact O-CA 3.38Å; P117-P120 WeakPolarHBondContact O-CD 3.46Å; P120-A126 HydrophobicContact CB-CB 3.45Å; P120-A126 VanDerWaalsContact CB-CB 3.45Å; P120-A126 HydrophobicContact CG-CB 3.68Å
121L96Very high95.8Very high77 Ų7758.3 Ų58.340%0.40331%0.306SS..SBendtrans-84.9-23161.1-68.9-176.2000111.5P77 N78 D80 Q84 C86P77-L121 PolarHBondContact O-N 3.03Å; N78-L121 WeakPolarHBondContact O-CD1 3.37Å; D80-L121 HydrophobicContact CB-CB 4.31Å; D80-L121 HydrophobicContact CB-CD1 4.33Å; Q84-L121 VanDerWaalsContact O-CD1 3.26Å; Q84-L121 WeakPolarHBondContact O-CD1 3.36Å; C86-L121 HydrophobicContact CB-CD1 4.37Å; C86-L121 HydrophobicContact CB-CD2 4.21Å; C86-L121 HydrophobicContact CB-CG 4.33Å
122R97.1Very high95.8Very high33 Ų3361.2 Ų61.213%0.12532%0.322CS..  trans-121.790.8178.1-64.6-172.861.5171.82.9110.1P77 I79 E81 D124 L125 A126P77-R122 PolarHBondContact O-N 2.87Å; I79-R122 WeakPolarHBondContact O-CD 3.43Å; E81-R122 IonicContact OE1-CZ 2.63Å; E81-R122 IonicContact OE1-NH2 2.7Å; R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.41Å; R122-D124 IonicContact NE-OD1 3.86Å; R122-D124 IonicContact NH2-OD2 3.6Å; R122-D124 PolarHBondContact O-N 2.93Å; R122-L125 HydrophobicContact CB-CB 4.07Å; R122-L125 HydrophobicContact CB-CD1 4.26Å; R122-L125 HydrophobicContact CB-CG 3.89Å; R122-L125 VanDerWaalsContact CZ-CD1 3.42Å; R122-L125 PolarHBondContact O-N 2.8Å; R122-A126 PolarHBondContact O-N 3.42Å
123A97Very high95.8Very high69 Ų6966.7 Ų66.757%0.5734%0.343SS*.Hα-helixtrans-62.7-34.1-175.400000112.9A126 E127A123-A126 PolarHBondContact O-N 2.94Å; A123-E127 WeakPolarHBondContact O-CB 3.31Å; A123-E127 PolarHBondContact O-N 3.12Å
124D96.8Very high95.8Very high93 Ų9374.5 Ų74.550%0.49738%0.376SS..Hα-helixtrans-57.9-47173.260.8-44.6000111.8R122 E128R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.41Å; R122-D124 IonicContact NE-OD1 3.86Å; R122-D124 IonicContact NH2-OD2 3.6Å; R122-D124 PolarHBondContact O-N 2.93Å; D124-E128 PolarHBondContact O-N 2.86Å
125L97.5Very high96Very high2 Ų274.7 Ų74.71%0.0137%0.371CS..Hα-helixtrans-70.1-36.6178.3-61.9-158000112.4Y75 P77 R122 E128 Y129 F136Y75-L125 HydrophobicContact CD1-CD1 3.94Å; Y75-L125 HydrophobicContact CD1-CD2 4.48Å; Y75-L125 HydrophobicContact CD2-CD1 4.17Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 3.98Å; Y75-L125 HydrophobicContact CE1-CD2 3.72Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.18Å; Y75-L125 HydrophobicContact CE2-CD2 3.59Å; Y75-L125 HydrophobicContact CG-CD1 4.07Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.35Å; P77-L125 HydrophobicContact CB-CB 4.14Å; R122-L125 HydrophobicContact CB-CB 4.07Å; R122-L125 HydrophobicContact CB-CD1 4.26Å; R122-L125 HydrophobicContact CB-CG 3.89Å; R122-L125 VanDerWaalsContact CZ-CD1 3.42Å; R122-L125 PolarHBondContact O-N 2.8Å; L125-E128 PolarHBondContact O-N 3.37Å; L125-Y129 WeakPolarHBondContact O-CB 3.33Å; L125-Y129 PolarHBondContact O-N 3.26Å; L125-F136 HydrophobicContact CB-CE2 4.31Å
126A97.3Very high96.2Very high5 Ų574.1 Ų74.14%0.04137%0.368CS..Hα-helixtrans-67.5-38.6178.700000111.9P77 P117 P120 R122 A123 Y129 S130P77-A126 HydrophobicContact CB-CB 3.94Å; P117-A126 HydrophobicContact CB-CB 4.14Å; P120-A126 HydrophobicContact CB-CB 3.45Å; P120-A126 VanDerWaalsContact CB-CB 3.45Å; P120-A126 HydrophobicContact CG-CB 3.68Å; R122-A126 PolarHBondContact O-N 3.42Å; A123-A126 PolarHBondContact O-N 2.94Å; A126-Y129 PolarHBondContact O-N 2.77Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.41Å; A126-S130 PolarHBondContact O-OG 3.4Å
127E97.5Very high96.3Very high100 Ų10072.5 Ų72.547%0.46736%0.364SS..Hα-helixtrans-63.7-46.2172.1-176.9173.8-175.400111A123 Y129 S130 K131A123-E127 WeakPolarHBondContact O-CB 3.31Å; A123-E127 PolarHBondContact O-N 3.12Å; E127-Y129 PolarHBondContact O-N 3.11Å; E127-S130 PolarHBondContact O-N 2.87Å; E127-K131 HydrophobicContact CG-CD 3.76Å; E127-K131 HydrophobicContact CG-CG 4.29Å; E127-K131 WeakPolarHBondContact O-CB 3.38Å; E127-K131 WeakPolarHBondContact O-CG 3.48Å; E127-K131 PolarHBondContact O-N 2.97Å; E127-K131 WeakPolarHBondContact OE1-CE 3.47Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.04Å
128E97.6Very high96.5Very high26 Ų2676.7 Ų76.712%0.12138%0.378CS..Hα-helixtrans-61-44.9175.1-169.7175.2-10200111.7Y75 D124 L125 S130 K131 D132 K135 F136 N139Y75-E128 PolarHBondContact OH-OE2 2.78Å; D124-E128 PolarHBondContact O-N 2.86Å; L125-E128 PolarHBondContact O-N 3.37Å; E128-S130 PolarHBondContact O-N 2.84Å; E128-K131 PolarHBondContact O-N 3.35Å; E128-D132 CarbonylContact O-C 3.54Å; E128-D132 WeakPolarHBondContact O-CA 3.06Å; E128-D132 PolarHBondContact O-N 2.93Å; E128-D132 VanDerWaalsContact O-O 3.09Å; E128-K135 HydrophobicContact CG-CD 4.37Å; E128-K135 HydrophobicContact CG-CG 4.45Å; E128-K135 VanDerWaalsContact OE1-CD 3.29Å; E128-K135 WeakPolarHBondContact OE1-CD 3.32Å; E128-K135 WeakPolarHBondContact OE1-CE 3.44Å; E128-K135 IonicContact OE1-NZ 3.76Å; E128-K135 PolarHBondContact OE1-NZ 2.63Å; E128-F136 HydrophobicContact CG-CB 4.13Å; E128-F136 WeakPolarHBondContact OE2-CA 3.35Å; E128-N139 PolarHBondContact OE1-ND2 2.84Å; E128-N139 PolarHBondContact OE2-ND2 2.85Å
129Y97.1Very high96.7Very high23 Ų2373.4 Ų73.49%0.0937%0.365CS..Hα-helixtrans-58.7-35177.3-177.7-100.3000113.2P115 P117 L125 A126 E127 R133 F136P115-Y129 HydrophobicContact CB-CE1 4.24Å; P115-Y129 HydrophobicContact CB-CE2 3.85Å; P115-Y129 WeakPolarHBondContact CD-OH 3.25Å; P115-Y129 HydrophobicContact CG-CE2 3.67Å; P115-Y129 PolarHBondContact O-OH 2.89Å; P117-Y129 HydrophobicContact CB-CD1 3.83Å; P117-Y129 HydrophobicContact CB-CE1 4.33Å; P117-Y129 HydrophobicContact CG-CD1 3.78Å; P117-Y129 HydrophobicContact CG-CE1 3.84Å; L125-Y129 WeakPolarHBondContact O-CB 3.33Å; L125-Y129 PolarHBondContact O-N 3.26Å; A126-Y129 PolarHBondContact O-N 2.77Å; E127-Y129 PolarHBondContact O-N 3.11Å; Y129-R133 PolarHBondContact O-NE 2.87Å; Y129-R133 PolarHBondContact OH-NH1 2.67Å; Y129-R133 PolarHBondContact OH-NH2 2.84Å; Y129-F136 AromaticContact CD2-CD1 3.55Å; Y129-F136 HydrophobicContact CD2-CD1 3.55Å; Y129-F136 HydrophobicContact CD2-CD2 4.09Å; Y129-F136 AromaticContact CD2-CE1 3.52Å; Y129-F136 HydrophobicContact CD2-CE1 3.52Å; Y129-F136 HydrophobicContact CD2-CE2 4.05Å; Y129-F136 AromaticContact CD2-CG 3.85Å; Y129-F136 HydrophobicContact CD2-CG 3.85Å; Y129-F136 AromaticContact CD2-CZ 3.77Å; Y129-F136 HydrophobicContact CD2-CZ 3.77Å; Y129-F136 HydrophobicContact CE2-CD1 4.25Å; Y129-F136 AromaticContact CE2-CE1 3.99Å; Y129-F136 HydrophobicContact CE2-CE1 3.99Å; Y129-F136 HydrophobicContact CE2-CZ 4.42Å; Y129-F136 HydrophobicContact CG-CD2 4.46Å; Y129-F136 HydrophobicContact CG-CG 4.47Å
130S96.1Very high97Very high78 Ų7866.9 Ų66.955%0.54533%0.334SS..Hα-helixtrans-86-39.8-177.7-55.70000112.8P117 A126 E127 E128P117-S130 WeakPolarHBondContact CB-OG 3.46Å; A126-S130 WeakPolarHBondContact O-CB 3.38Å; A126-S130 PolarHBondContact O-N 3.41Å; A126-S130 PolarHBondContact O-OG 3.4Å; E127-S130 PolarHBondContact O-N 2.87Å; E128-S130 PolarHBondContact O-N 2.84Å
131K96.7Very high97.2Very high162 Ų16268 Ų6870%0.70434%0.336SS*.Hα-helixtrans-89.7-35.8-176-68.2-174.1177.8177.60113.7E127 E128E127-K131 HydrophobicContact CG-CD 3.76Å; E127-K131 HydrophobicContact CG-CG 4.29Å; E127-K131 WeakPolarHBondContact O-CB 3.38Å; E127-K131 WeakPolarHBondContact O-CG 3.48Å; E127-K131 PolarHBondContact O-N 2.97Å; E127-K131 WeakPolarHBondContact OE1-CE 3.47Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.04Å; E128-K131 PolarHBondContact O-N 3.35Å
132D96.7Very high97.3Very high72 Ų7269.3 Ų69.339%0.38534%0.34SS..  trans-143.177.1-177.9-170.4-12000111.2E128 K134 K135 F136E128-D132 CarbonylContact O-C 3.54Å; E128-D132 WeakPolarHBondContact O-CA 3.06Å; E128-D132 PolarHBondContact O-N 2.93Å; E128-D132 VanDerWaalsContact O-O 3.09Å; D132-K134 PolarHBondContact O-N 2.77Å; D132-K134 VanDerWaalsContact O-N 3.16Å; D132-K134 PolarHBondContact OD1-N 2.83Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 3.44Å; D132-K135 PolarHBondContact OD1-N 3.26Å; D132-K135 VanDerWaalsContact OD2-CB 3.25Å; D132-K135 WeakPolarHBondContact OD2-CB 3.25Å; D132-F136 PolarHBondContact O-N 3.43Å
133R95.7Very high97.3Very high116 Ų11670.1 Ų70.144%0.43834%0.344SS..Hα-helixtrans-56-33.9178.8-176.358.764.710512112.9Y129 F136 C137Y129-R133 PolarHBondContact O-NE 2.87Å; Y129-R133 PolarHBondContact OH-NH1 2.67Å; Y129-R133 PolarHBondContact OH-NH2 2.84Å; R133-F136 PolarHBondContact O-N 3.36Å; R133-C137 WeakPolarHBondContact O-CB 3.28Å; R133-C137 PolarHBondContact O-N 2.82Å; R133-C137 PolarHBondContact O-SG 3.19Å
134K97.1Very high97.4Very high183 Ų18366.9 Ų66.980%0.79632%0.318SS*.Hα-helixtrans-67.4-45.8-178.6-69.3-176.8-179.11780110.6D132 C137 K138D132-K134 PolarHBondContact O-N 2.77Å; D132-K134 VanDerWaalsContact O-N 3.16Å; D132-K134 PolarHBondContact OD1-N 2.83Å; K134-C137 PolarHBondContact O-N 2.86Å; K134-K138 WeakPolarHBondContact O-CB 3.28Å; K134-K138 PolarHBondContact O-N 2.72Å
135K97.7Very high97.4Very high107 Ų10768.9 Ų68.947%0.46532%0.322SS..Hα-helixtrans-62.8-45.1175.2-174.5-177.7179.6-130.20111.5E128 D132 C137 K138 N139E128-K135 HydrophobicContact CG-CD 4.37Å; E128-K135 HydrophobicContact CG-CG 4.45Å; E128-K135 VanDerWaalsContact OE1-CD 3.29Å; E128-K135 WeakPolarHBondContact OE1-CD 3.32Å; E128-K135 WeakPolarHBondContact OE1-CE 3.44Å; E128-K135 IonicContact OE1-NZ 3.76Å; E128-K135 PolarHBondContact OE1-NZ 2.63Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 3.44Å; D132-K135 PolarHBondContact OD1-N 3.26Å; D132-K135 VanDerWaalsContact OD2-CB 3.25Å; D132-K135 WeakPolarHBondContact OD2-CB 3.25Å; K135-C137 PolarHBondContact O-N 2.74Å; K135-K138 PolarHBondContact O-N 2.87Å; K135-N139 WeakPolarHBondContact O-CB 3.45Å; K135-N139 VanDerWaalsContact O-CG 3.24Å; K135-N139 PolarHBondContact O-N 2.9Å; K135-N139 PolarHBondContact O-ND2 3.4Å
136F98.1Very high97.4Very high1 Ų175.9 Ų75.90%0.00435%0.352CS..Hα-helixtrans-55.8-52.9174.6178.2-85.4000111.8P45 Y46 Y75 L125 E128 Y129 D132 R133 K138 N139 A140P45-F136 HydrophobicContact CG-CE1 4.24Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.4Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.86Å; Y75-F136 HydrophobicContact CD1-CE2 3.86Å; Y75-F136 HydrophobicContact CD1-CZ 4.16Å; Y75-F136 AromaticContact CE1-CD2 3.73Å; Y75-F136 HydrophobicContact CE1-CD2 3.73Å; Y75-F136 AromaticContact CE1-CE2 3.68Å; Y75-F136 HydrophobicContact CE1-CE2 3.68Å; Y75-F136 HydrophobicContact CE1-CG 4.49Å; Y75-F136 HydrophobicContact CE1-CZ 4.39Å; L125-F136 HydrophobicContact CB-CE2 4.31Å; E128-F136 HydrophobicContact CG-CB 4.13Å; E128-F136 WeakPolarHBondContact OE2-CA 3.35Å; Y129-F136 AromaticContact CD2-CD1 3.55Å; Y129-F136 HydrophobicContact CD2-CD1 3.55Å; Y129-F136 HydrophobicContact CD2-CD2 4.09Å; Y129-F136 AromaticContact CD2-CE1 3.52Å; Y129-F136 HydrophobicContact CD2-CE1 3.52Å; Y129-F136 HydrophobicContact CD2-CE2 4.05Å; Y129-F136 AromaticContact CD2-CG 3.85Å; Y129-F136 HydrophobicContact CD2-CG 3.85Å; Y129-F136 AromaticContact CD2-CZ 3.77Å; Y129-F136 HydrophobicContact CD2-CZ 3.77Å; Y129-F136 HydrophobicContact CE2-CD1 4.25Å; Y129-F136 AromaticContact CE2-CE1 3.99Å; Y129-F136 HydrophobicContact CE2-CE1 3.99Å; Y129-F136 HydrophobicContact CE2-CZ 4.42Å; Y129-F136 HydrophobicContact CG-CD2 4.46Å; Y129-F136 HydrophobicContact CG-CG 4.47Å; D132-F136 PolarHBondContact O-N 3.43Å; R133-F136 PolarHBondContact O-N 3.36Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.1Å; F136-N139 PolarHBondContact O-N 2.78Å; F136-A140 HydrophobicContact CD1-CB 4.4Å; F136-A140 HydrophobicContact CE1-CB 4.06Å; F136-A140 HydrophobicContact CZ-CB 4.47Å; F136-A140 VanDerWaalsContact O-CB 3.27Å; F136-A140 WeakPolarHBondContact O-CB 3.19Å; F136-A140 PolarHBondContact O-N 2.98Å
137C97Very high97.4Very high42 Ų4279.9 Ų79.928%0.28437%0.367SS..Hα-helixtrans-61.6-39.9-177.5-720000111.7P45 R133 K134 K135 A140 E141P45-C137 HydrophobicContact CB-CB 4.46Å; R133-C137 WeakPolarHBondContact O-CB 3.28Å; R133-C137 PolarHBondContact O-N 2.82Å; R133-C137 PolarHBondContact O-SG 3.19Å; K134-C137 PolarHBondContact O-N 2.86Å; K135-C137 PolarHBondContact O-N 2.74Å; C137-A140 PolarHBondContact O-N 2.92Å; C137-E141 VanDerWaalsContact O-CB 3.28Å; C137-E141 WeakPolarHBondContact O-CB 3.4Å; C137-E141 PolarHBondContact O-N 2.98Å
138K97.9Very high97.4Very high126 Ų12676.2 Ų76.255%0.54836%0.356SS..Hα-helixtrans-60.7-51.2174.6-178.9-176173.4-1760111.5K134 K135 F136 A140 E141 E142K134-K138 WeakPolarHBondContact O-CB 3.28Å; K134-K138 PolarHBondContact O-N 2.72Å; K135-K138 PolarHBondContact O-N 2.87Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.1Å; K138-A140 VanDerWaalsContact C-N 3.34Å; K138-A140 PolarHBondContact O-N 3.15Å; K138-E141 PolarHBondContact O-N 2.76Å; K138-E142 WeakPolarHBondContact CE-OE1 3.33Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 2.79Å
139N98Very high97.3Very high45 Ų4578.3 Ų78.324%0.24137%0.366CS..Hα-helixtrans-60.2-45179.6-69.7-18000111.3Y75 E128 K135 F136 E142 F143Y75-N139 HydrophobicContact CE1-CB 3.94Å; Y75-N139 HydrophobicContact CE2-CB 4.34Å; E128-N139 PolarHBondContact OE1-ND2 2.84Å; E128-N139 PolarHBondContact OE2-ND2 2.85Å; K135-N139 WeakPolarHBondContact O-CB 3.45Å; K135-N139 VanDerWaalsContact O-CG 3.24Å; K135-N139 PolarHBondContact O-N 2.9Å; K135-N139 PolarHBondContact O-ND2 3.4Å; F136-N139 PolarHBondContact O-N 2.78Å; N139-E142 PolarHBondContact O-N 3.44Å; N139-F143 VanDerWaalsContact O-CB 3.24Å; N139-F143 WeakPolarHBondContact O-CB 3.44Å; N139-F143 PolarHBondContact O-N 3.31Å
140A98.2Very high97.2Very high0 Ų086.4 Ų86.40%040%0.402CS..Hα-helixtrans-65.7-38.5179.600000112.6P45 Y46 Y75 F136 C137 K138 T144P45-A140 HydrophobicContact CB-CB 3.69Å; P45-A140 HydrophobicContact CG-CB 3.35Å; Y46-A140 HydrophobicContact CE1-CB 4.19Å; Y75-A140 HydrophobicContact CD1-CB 3.76Å; Y75-A140 HydrophobicContact CG-CB 4.38Å; F136-A140 HydrophobicContact CD1-CB 4.4Å; F136-A140 HydrophobicContact CE1-CB 4.06Å; F136-A140 HydrophobicContact CZ-CB 4.47Å; F136-A140 VanDerWaalsContact O-CB 3.27Å; F136-A140 WeakPolarHBondContact O-CB 3.19Å; F136-A140 PolarHBondContact O-N 2.98Å; C137-A140 PolarHBondContact O-N 2.92Å; K138-A140 VanDerWaalsContact C-N 3.34Å; K138-A140 PolarHBondContact O-N 3.15Å; A140-T144 VanDerWaalsContact O-CB 3.29Å; A140-T144 WeakPolarHBondContact O-CB 3.39Å; A140-T144 PolarHBondContact O-N 3.4Å; A140-T144 PolarHBondContact O-OG1 3.39Å
141E97.5Very high97.1Very high67 Ų6786.6 Ų86.631%0.31339%0.39SS..Hα-helixtrans-68-45.8176.4-172.1-174.5162.400111.2P45 K48 C137 K138 F143 T144 K145P45-E141 HydrophobicContact CB-CB 4.33Å; K48-E141 HydrophobicContact CG-CG 4.48Å; C137-E141 VanDerWaalsContact O-CB 3.28Å; C137-E141 WeakPolarHBondContact O-CB 3.4Å; C137-E141 PolarHBondContact O-N 2.98Å; K138-E141 PolarHBondContact O-N 2.76Å; E141-F143 VanDerWaalsContact C-N 3.31Å; E141-F143 PolarHBondContact O-N 2.83Å; E141-T144 PolarHBondContact O-N 2.78Å; E141-K145 WeakPolarHBondContact O-CG 3.44Å; E141-K145 PolarHBondContact O-N 2.95Å; E141-K145 VanDerWaalsContact OE1-CE 3.23Å; E141-K145 WeakPolarHBondContact OE1-CE 3.2Å; E141-K145 IonicContact OE1-NZ 3.6Å; E141-K145 PolarHBondContact OE1-NZ 2.79Å
142E98Very high96.8Very high106 Ų10680.5 Ų80.550%0.49537%0.367SS..Hα-helixtrans-60.8-42175.3-73.3179.9-171.100111.4K138 N139 K145 K146K138-E142 WeakPolarHBondContact CE-OE1 3.33Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 2.79Å; N139-E142 PolarHBondContact O-N 3.44Å; E142-K145 PolarHBondContact O-N 3.46Å; E142-K146 WeakPolarHBondContact O-CB 3.28Å; E142-K146 PolarHBondContact O-N 3.46Å
143F98.3Very high95.9Very high49 Ų4983.9 Ų83.922%0.21539%0.39CS..Hα-helixtrans-65.3-41.7176.7-161.4-83.1000111.9K73 Y75 N139 E141 K146 Y147K73-F143 HydrophobicContact CB-CE1 3.63Å; K73-F143 HydrophobicContact CB-CZ 3.87Å; K73-F143 HydrophobicContact CD-CZ 4.45Å; Y75-F143 HydrophobicContact CD2-CB 4.47Å; Y75-F143 HydrophobicContact CD2-CD2 4.1Å; Y75-F143 HydrophobicContact CD2-CG 4.3Å; Y75-F143 HydrophobicContact CG-CB 4.41Å; Y75-F143 HydrophobicContact CG-CG 4.47Å; N139-F143 VanDerWaalsContact O-CB 3.24Å; N139-F143 WeakPolarHBondContact O-CB 3.44Å; N139-F143 PolarHBondContact O-N 3.31Å; E141-F143 VanDerWaalsContact C-N 3.31Å; E141-F143 PolarHBondContact O-N 2.83Å; F143-K146 PolarHBondContact O-N 3.1Å; F143-Y147 AromaticContact CD1-CD2 3.73Å; F143-Y147 HydrophobicContact CD1-CD2 3.73Å; F143-Y147 AromaticContact CD2-CD2 3.85Å; F143-Y147 HydrophobicContact CD2-CD2 3.85Å; F143-Y147 AromaticContact CD2-CE2 3.9Å; F143-Y147 HydrophobicContact CD2-CE2 3.9Å; F143-Y147 AromaticContact CE1-CD2 3.52Å; F143-Y147 HydrophobicContact CE1-CD2 3.52Å; F143-Y147 HydrophobicContact CE1-CE2 4.27Å; F143-Y147 HydrophobicContact CE1-CG 4.15Å; F143-Y147 AromaticContact CE2-CD2 3.66Å; F143-Y147 HydrophobicContact CE2-CD2 3.66Å; F143-Y147 AromaticContact CE2-CE2 3.57Å; F143-Y147 HydrophobicContact CE2-CE2 3.57Å; F143-Y147 AromaticContact CG-CD2 3.89Å; F143-Y147 HydrophobicContact CG-CD2 3.89Å; F143-Y147 HydrophobicContact CG-CE2 4.39Å; F143-Y147 AromaticContact CZ-CD2 3.49Å; F143-Y147 HydrophobicContact CZ-CD2 3.49Å; F143-Y147 VanDerWaalsContact CZ-CD2 3.49Å; F143-Y147 AromaticContact CZ-CE2 3.78Å; F143-Y147 HydrophobicContact CZ-CE2 3.78Å; F143-Y147 HydrophobicContact CZ-CG 4.31Å; F143-Y147 PolarHBondContact O-N 3.02Å
144T98.1Very high94.7Very high2 Ų286.8 Ų86.81%0.01241%0.414CS..Hα-helixtrans-62.6-42.7175.8-62.10000111.2K48 F51 A140 E141 K146 G148K48-T144 HydrophobicContact CB-CG2 4.41Å; F51-T144 HydrophobicContact CE2-CG2 4.43Å; F51-T144 HydrophobicContact CZ-CG2 3.85Å; A140-T144 VanDerWaalsContact O-CB 3.29Å; A140-T144 WeakPolarHBondContact O-CB 3.39Å; A140-T144 PolarHBondContact O-N 3.4Å; A140-T144 PolarHBondContact O-OG1 3.39Å; E141-T144 PolarHBondContact O-N 2.78Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 3.32Å; T144-G148 WeakPolarHBondContact O-CA 3.5Å; T144-G148 PolarHBondContact O-N 3.36Å
145K96.6Very high94.6Very high134 Ų13482 Ų8258%0.58340%0.395SS*.Hα-helixtrans-64.4-33.7175.1-72.3173.4-175.5166.50112.8E141 E142E141-K145 WeakPolarHBondContact O-CG 3.44Å; E141-K145 PolarHBondContact O-N 2.95Å; E141-K145 VanDerWaalsContact OE1-CE 3.23Å; E141-K145 WeakPolarHBondContact OE1-CE 3.2Å; E141-K145 IonicContact OE1-NZ 3.6Å; E141-K145 PolarHBondContact OE1-NZ 2.79Å; E142-K145 PolarHBondContact O-N 3.46Å
146K97.9Very high94.4Very high149 Ų14980.7 Ų80.765%0.64839%0.392SS*.Hα-helixtrans-80.7-40.2-176.4-174.1174.2-179.7-172.30113.6E142 F143 T144E142-K146 WeakPolarHBondContact O-CB 3.28Å; E142-K146 PolarHBondContact O-N 3.46Å; F143-K146 PolarHBondContact O-N 3.1Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 3.32Å
147Y97.8Very high94.2Very high89 Ų8985.1 Ų85.135%0.34941%0.413SS..Hα-helixtrans-119.8-15.8-171.2-62.3-70.2000114.4T72 K73 F143T72-Y147 WeakPolarHBondContact CG2-O 3.14Å; K73-Y147 HydrophobicContact CB-CG 4.32Å; K73-Y147 HydrophobicContact CD-CD1 4.2Å; K73-Y147 HydrophobicContact CD-CE1 4.39Å; K73-Y147 HydrophobicContact CD-CG 4.43Å; F143-Y147 AromaticContact CD1-CD2 3.73Å; F143-Y147 HydrophobicContact CD1-CD2 3.73Å; F143-Y147 AromaticContact CD2-CD2 3.85Å; F143-Y147 HydrophobicContact CD2-CD2 3.85Å; F143-Y147 AromaticContact CD2-CE2 3.9Å; F143-Y147 HydrophobicContact CD2-CE2 3.9Å; F143-Y147 AromaticContact CE1-CD2 3.52Å; F143-Y147 HydrophobicContact CE1-CD2 3.52Å; F143-Y147 HydrophobicContact CE1-CE2 4.27Å; F143-Y147 HydrophobicContact CE1-CG 4.15Å; F143-Y147 AromaticContact CE2-CD2 3.66Å; F143-Y147 HydrophobicContact CE2-CD2 3.66Å; F143-Y147 AromaticContact CE2-CE2 3.57Å; F143-Y147 HydrophobicContact CE2-CE2 3.57Å; F143-Y147 AromaticContact CG-CD2 3.89Å; F143-Y147 HydrophobicContact CG-CD2 3.89Å; F143-Y147 HydrophobicContact CG-CE2 4.39Å; F143-Y147 AromaticContact CZ-CD2 3.49Å; F143-Y147 HydrophobicContact CZ-CD2 3.49Å; F143-Y147 VanDerWaalsContact CZ-CD2 3.49Å; F143-Y147 AromaticContact CZ-CE2 3.78Å; F143-Y147 HydrophobicContact CZ-CE2 3.78Å; F143-Y147 HydrophobicContact CZ-CG 4.31Å; F143-Y147 PolarHBondContact O-N 3.02Å
148G96.6Very high94.1Very high23 Ų2387.6 Ų87.624%0.23742%0.421CS..PPolyproline II helixtrans-63.7146.9177.800000111.9T144T144-G148 WeakPolarHBondContact O-CA 3.5Å; T144-G148 PolarHBondContact O-N 3.36Å
149E96.5Very high93.8Very high70 Ų7085.3 Ų85.333%0.32741%0.413SS..BIsolated β-bridgetrans-72.5156.4170.9-65.3-102.1-144.400109.7L38 A50 R52 T72 R151L38-E149 HydrophobicContact CD1-CB 3.96Å; L38-E149 HydrophobicContact CD1-CG 4.06Å; A50-E149 HydrophobicContact CB-CB 4.26Å; A50-E149 PolarHBondContact N-O 2.96Å; A50-E149 WeakPolarHBondContact O-CB 3.47Å; A50-E149 PolarHBondContact O-N 2.92Å; R52-E149 IonicContact CZ-OE1 2.74Å; R52-E149 VanDerWaalsContact CZ-OE1 3.3Å; R52-E149 IonicContact NE-OE1 2.66Å; R52-E149 PolarHBondContact NE-OE1 3.08Å; R52-E149 IonicContact NH2-OE1 3.1Å; R52-E149 PolarHBondContact NH2-OE1 3.05Å; R52-E149 IonicContact NH2-OE2 3.26Å; T72-E149 HydrophobicContact CG2-CG 4.16Å; T72-E149 WeakPolarHBondContact OG1-CG 3.44Å; E149-R151 PolarHBondContact O-N 3.09Å
150K94.7Very high93.5Very high194 Ų19487.9 Ų87.984%0.84342%0.424SS*.PPolyproline II helixtrans-63.9133.2172.2-68.6-176.6-179.9179.70109.3
151R94.1Very high93.2Very high82 Ų8294.2 Ų94.231%0.30946%0.455SS..PPolyproline II helixtrans-61.2139.7172.4-65.1175.574.294.3-13.2109.4P41 D47 G49 A50 E149 V153P41-R151 PolarHBondContact O-NH1 3.45Å; P41-R151 PolarHBondContact O-NH2 3.32Å; D47-R151 VanDerWaalsContact O-CD 3.25Å; D47-R151 WeakPolarHBondContact O-CD 3.39Å; D47-R151 PolarHBondContact O-NE 2.71Å; D47-R151 PolarHBondContact O-NH1 3.43Å; G49-R151 VanDerWaalsContact O-CG 3.32Å; G49-R151 WeakPolarHBondContact O-CG 3.25Å; G49-R151 PolarHBondContact O-NH1 3.02Å; A50-R151 HydrophobicContact CB-CG 4.31Å; E149-R151 PolarHBondContact O-N 3.09Å; R151-V153 PolarHBondContact O-N 3.38Å
152P89.7Confident92.9Very high33 Ų3396.3 Ų96.321%0.21447%0.466CS..PPolyproline II helixtrans-54.3130171.9-24.434.5000110.2R23 L38 V40 D154R23-P152 HydrophobicContact CB-CG 3.84Å; R23-P152 HydrophobicContact CG-CG 4.12Å; L38-P152 HydrophobicContact CD2-CG 3.89Å; V40-P152 HydrophobicContact CG2-CG 4.12Å; P152-D154 PolarHBondContact O-N 2.73Å
153V78.2Confident92.4Very high143 Ų14395.5 Ų95.587%0.86746%0.463SS*.  trans-83.994.5165.7-68.80000105.4R151R151-V153 PolarHBondContact O-N 3.38Å
154D70.8Confident91.9Very high178 Ų17899.7 Ų99.795%0.95249%0.486SS*.  trans-64.80168.7-72.7-15.4000110.2R23 P152R23-D154 IonicContact CZ-OD1 2.87Å; R23-D154 IonicContact NE-OD1 2.84Å; R23-D154 PolarHBondContact NE-OD1 3.15Å; R23-D154 IonicContact NE-OD2 3.64Å; R23-D154 IonicContact NH2-OD1 3.3Å; R23-D154 PolarHBondContact NH2-OD1 2.91Å; R23-D154 IonicContact NH2-OD2 2.73Å; P152-D154 PolarHBondContact O-N 2.73Å

Retrieved 154 of 154 residues in 98.9 ms (Link to these results)

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